*HEADER    DNA BINDING PROTEIN                     29-JAN-11   2L92              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF H-NS LIKE PROTEIN BV3F 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HISTONE FAMILY PROTEIN NUCLEOID-STRUCTURING PROTEIN H-NS;  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 71-112;                        
*COMPND   5 SYNONYM: H-NS LIKE PROTEIN BV3F;                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BURKHOLDERIA VIETNAMIENSIS;                     
*SOURCE   3 ORGANISM_COMMON: BURKHOLDERIA CEPACIA;                               
*SOURCE   4 ORGANISM_TAXID: 269482;                                              
*SOURCE   5 STRAIN: G4;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET21A                                     
*KEYWDS    H-NS, AT HOOK, DNA BINDING PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.LI, B.XIA                                                           
*REVDAT   1   15-JUN-11 2L92    0                                                


# 680 atoms read from pdb file prm1.pdb.
# 2 SER PHI:  (1 MET C)-(2 SER N)-(2 SER CA)-(2 SER C) -180.0   0.0
 &rst     iat =    18,    20,    22,    29,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 3 THR PHI:  (2 SER C)-(3 THR N)-(3 THR CA)-(3 THR C) -140.0 -73.0
 &rst     iat =    29,    31,    33,    43,
   r1 = -141.0, r2 = -140.0, r3 = -73.0, r4 = -72.0,
 &end

# 3 THR PSI:  (3 THR N)-(3 THR CA)-(3 THR C)-(4 VAL N) 105.8 165.8
 &rst     iat =    31,    33,    43,    45,
   r1 = 104.8, r2 = 105.8, r3 = 165.8, r4 = 166.8,
 &end

# 4 VAL PHI:  (3 THR C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -140.0 -66.6
 &rst     iat =    43,    45,    47,    59,
   r1 = -141.0, r2 = -140.0, r3 = -66.6, r4 = -65.6,
 &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 PRO N) 106.7 166.7
 &rst     iat =    45,    47,    59,    61,
   r1 = 105.7, r2 = 106.7, r3 = 166.7, r4 = 167.7,
 &end

# 7 TYR PHI:  (6 LYS C)-(7 TYR N)-(7 TYR CA)-(7 TYR C) -160.6 -100.6
 &rst     iat =    95,    97,    99,   116,
   r1 = -161.6, r2 = -160.6, r3 = -100.6, r4 = -99.6,
 &end

# 7 TYR PSI:  (7 TYR N)-(7 TYR CA)-(7 TYR C)-(8 ARG N) 116.7 176.7
 &rst     iat =    97,    99,   116,   118,
   r1 = 115.7, r2 = 116.7, r3 = 176.7, r4 = 177.7,
 &end

# 8 ARG PHI:  (7 TYR C)-(8 ARG N)-(8 ARG CA)-(8 ARG C) -157.8 -97.8
 &rst     iat =   116,   118,   120,   140,
   r1 = -158.8, r2 = -157.8, r3 = -97.8, r4 = -96.8,
 &end

# 8 ARG PSI:  (8 ARG N)-(8 ARG CA)-(8 ARG C)-(9 ASP N) 101.2 161.2
 &rst     iat =   118,   120,   140,   142,
   r1 = 100.2, r2 = 101.2, r3 = 161.2, r4 = 162.2,
 &end

# 9 ASP PHI:  (8 ARG C)-(9 ASP N)-(9 ASP CA)-(9 ASP C) -124.8 -64.8
 &rst     iat =   140,   142,   144,   152,
   r1 = -125.8, r2 = -124.8, r3 = -64.8, r4 = -63.8,
 &end

# 9 ASP PSI:  (9 ASP N)-(9 ASP CA)-(9 ASP C)-(10 PRO N)  89.0 149.0
 &rst     iat =   142,   144,   152,   154,
   r1 =  88.0, r2 =  89.0, r3 = 149.0, r4 = 150.0,
 &end

# 14 LYS PHI:  (13 GLY C)-(14 LYS N)-(14 LYS CA)-(14 LYS C) -114.7 -54.7
 &rst     iat =   197,   199,   201,   219,
   r1 = -115.7, r2 = -114.7, r3 = -54.7, r4 = -53.7,
 &end

# 14 LYS PSI:  (14 LYS N)-(14 LYS CA)-(14 LYS C)-(15 THR N)  88.7 148.7
 &rst     iat =   199,   201,   219,   221,
   r1 =  87.7, r2 =  88.7, r3 = 148.7, r4 = 149.7,
 &end

# 15 THR PHI:  (14 LYS C)-(15 THR N)-(15 THR CA)-(15 THR C) -147.3 -87.3
 &rst     iat =   219,   221,   223,   233,
   r1 = -148.3, r2 = -147.3, r3 = -87.3, r4 = -86.3,
 &end

# 15 THR PSI:  (15 THR N)-(15 THR CA)-(15 THR C)-(16 TRP N) 110.5 170.5
 &rst     iat =   221,   223,   233,   235,
   r1 = 109.5, r2 = 110.5, r3 = 170.5, r4 = 171.5,
 &end

# 16 TRP PHI:  (15 THR C)-(16 TRP N)-(16 TRP CA)-(16 TRP C) -160.1 -100.1
 &rst     iat =   233,   235,   237,   257,
   r1 = -161.1, r2 = -160.1, r3 = -100.1, r4 = -99.1,
 &end

# 16 TRP PSI:  (16 TRP N)-(16 TRP CA)-(16 TRP C)-(17 SER N) 108.6 168.6
 &rst     iat =   235,   237,   257,   259,
   r1 = 107.6, r2 = 108.6, r3 = 168.6, r4 = 169.6,
 &end

# 19 ARG PHI:  (18 GLY C)-(19 ARG N)-(19 ARG CA)-(19 ARG C) -135.0 -62.2
 &rst     iat =   275,   277,   279,   299,
   r1 = -136.0, r2 = -135.0, r3 = -62.2, r4 = -61.2,
 &end

# 19 ARG PSI:  (19 ARG N)-(19 ARG CA)-(19 ARG C)-(20 GLY N) 105.6 165.6
 &rst     iat =   277,   279,   299,   301,
   r1 = 104.6, r2 = 105.6, r3 = 165.6, r4 = 166.6,
 &end

# 21 ARG PHI:  (20 GLY C)-(21 ARG N)-(21 ARG CA)-(21 ARG C) -115.0 -50.0
 &rst     iat =   306,   308,   310,   330,
   r1 = -116.0, r2 = -115.0, r3 = -50.0, r4 = -49.0,
 &end

# 21 ARG PSI:  (21 ARG N)-(21 ARG CA)-(21 ARG C)-(22 GLN N) 101.6 161.6
 &rst     iat =   308,   310,   330,   332,
   r1 = 100.6, r2 = 101.6, r3 = 161.6, r4 = 162.6,
 &end

# 22 GLN PHI:  (21 ARG C)-(22 GLN N)-(22 GLN CA)-(22 GLN C) -119.0 -59.0
 &rst     iat =   330,   332,   334,   347,
   r1 = -120.0, r2 = -119.0, r3 = -59.0, r4 = -58.0,
 &end

# 22 GLN PSI:  (22 GLN N)-(22 GLN CA)-(22 GLN C)-(23 PRO N)  93.2 153.2
 &rst     iat =   332,   334,   347,   349,
   r1 =  92.2, r2 =  93.2, r3 = 153.2, r4 = 154.2,
 &end

# 24 ALA PHI:  (23 PRO C)-(24 ALA N)-(24 ALA CA)-(24 ALA C) -87.8 -27.9
 &rst     iat =   361,   363,   365,   371,
   r1 = -88.8, r2 = -87.8, r3 = -27.9, r4 = -26.9,
 &end

# 24 ALA PSI:  (24 ALA N)-(24 ALA CA)-(24 ALA C)-(25 TRP N) -62.1  -2.1
 &rst     iat =   363,   365,   371,   373,
   r1 = -63.1, r2 = -62.1, r3 =  -2.1, r4 =  -1.1,
 &end

# 25 TRP PHI:  (24 ALA C)-(25 TRP N)-(25 TRP CA)-(25 TRP C) -117.7 -57.7
 &rst     iat =   371,   373,   375,   395,
   r1 = -118.7, r2 = -117.7, r3 = -57.7, r4 = -56.7,
 &end

# 25 TRP PSI:  (25 TRP N)-(25 TRP CA)-(25 TRP C)-(26 LEU N) -31.1  28.9
 &rst     iat =   373,   375,   395,   397,
   r1 = -32.1, r2 = -31.1, r3 =  28.9, r4 =  29.9,
 &end

# 28 ASN PHI:  (27 GLY C)-(28 ASN N)-(28 ASN CA)-(28 ASN C) -180.0   0.0
 &rst     iat =   421,   423,   425,   435,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 29 ASP PHI:  (28 ASN C)-(29 ASP N)-(29 ASP CA)-(29 ASP C) -180.0   0.0
 &rst     iat =   435,   437,   439,   447,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 29 ASP PSI:  (29 ASP N)-(29 ASP CA)-(29 ASP C)-(30 PRO N)  80.0 180.0
 &rst     iat =   437,   439,   447,   449,
   r1 =  79.0, r2 =  80.0, r3 = 180.0, r4 = 181.0,
 &end

# 31 ALA PHI:  (30 PRO C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -95.6 -35.6
 &rst     iat =   461,   463,   465,   471,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 ALA N) -58.1   1.9
 &rst     iat =   463,   465,   471,   473,
   r1 = -59.1, r2 = -58.1, r3 =   1.9, r4 =   2.9,
 &end

# 32 ALA PHI:  (31 ALA C)-(32 ALA N)-(32 ALA CA)-(32 ALA C) -101.0 -41.0
 &rst     iat =   471,   473,   475,   481,
   r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
 &end

# 32 ALA PSI:  (32 ALA N)-(32 ALA CA)-(32 ALA C)-(33 PHE N) -59.6   0.4
 &rst     iat =   473,   475,   481,   483,
   r1 = -60.6, r2 = -59.6, r3 =   0.4, r4 =   1.4,
 &end

# 33 PHE PHI:  (32 ALA C)-(33 PHE N)-(33 PHE CA)-(33 PHE C) -132.0   0.0
 &rst     iat =   481,   483,   485,   501,
   r1 = -133.0, r2 = -132.0, r3 =   0.0, r4 =   1.0,
 &end

# 34 LEU PHI:  (33 PHE C)-(34 LEU N)-(34 LEU CA)-(34 LEU C) -110.0 -50.0
 &rst     iat =   501,   503,   505,   520,
   r1 = -111.0, r2 = -110.0, r3 = -50.0, r4 = -49.0,
 &end

# 34 LEU PSI:  (34 LEU N)-(34 LEU CA)-(34 LEU C)-(35 ILE N) 101.9 161.9
 &rst     iat =   503,   505,   520,   522,
   r1 = 100.9, r2 = 101.9, r3 = 161.9, r4 = 162.9,
 &end

# 35 ILE PHI:  (34 LEU C)-(35 ILE N)-(35 ILE CA)-(35 ILE C) -118.7 -58.7
 &rst     iat =   520,   522,   524,   539,
   r1 = -119.7, r2 = -118.7, r3 = -58.7, r4 = -57.7,
 &end

# 35 ILE PSI:  (35 ILE N)-(35 ILE CA)-(35 ILE C)-(36 GLN N) 105.0 165.0
 &rst     iat =   522,   524,   539,   541,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 36 GLN PHI:  (35 ILE C)-(36 GLN N)-(36 GLN CA)-(36 GLN C) -140.0 -55.7
 &rst     iat =   539,   541,   543,   556,
   r1 = -141.0, r2 = -140.0, r3 = -55.7, r4 = -54.7,
 &end

# 36 GLN PSI:  (36 GLN N)-(36 GLN CA)-(36 GLN C)-(37 PRO N) 105.0 165.0
 &rst     iat =   541,   543,   556,   558,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 38 ASP PHI:  (37 PRO C)-(38 ASP N)-(38 ASP CA)-(38 ASP C) -180.0  40.0
 &rst     iat =   570,   572,   574,   582,
   r1 = -181.0, r2 = -180.0, r3 =  40.0, r4 =  41.0,
 &end

# 39 LEU PHI:  (38 ASP C)-(39 LEU N)-(39 LEU CA)-(39 LEU C) -140.0 -65.9
 &rst     iat =   582,   584,   586,   601,
   r1 = -141.0, r2 = -140.0, r3 = -65.9, r4 = -64.9,
 &end

# 39 LEU PSI:  (39 LEU N)-(39 LEU CA)-(39 LEU C)-(40 PRO N) 117.3 177.3
 &rst     iat =   584,   586,   601,   603,
   r1 = 116.3, r2 = 117.3, r3 = 177.3, r4 = 178.3,
 &end

# 41 ALA PHI:  (40 PRO C)-(41 ALA N)-(41 ALA CA)-(41 ALA C) -180.0   0.0
 &rst     iat =   615,   617,   619,   625,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 42 ILE PHI:  (41 ALA C)-(42 ILE N)-(42 ILE CA)-(42 ILE C) -180.0  30.0
 &rst     iat =   625,   627,   629,   644,
   r1 = -181.0, r2 = -180.0, r3 =  30.0, r4 =  31.0,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG2 OG1 HB
 &rst iat=33,37,41,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,43,34,35, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=47,51,55,50, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=45,59,48,49, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=71,65,69,70, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=68,62,66,67, &end
#
#  chirality for residue 5 atoms:  CG N HD2 HD3
 &rst iat=65,61,63,64, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=61,73,72,68, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=77,82,80,81, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=79,85,83,84, &end
#
#  chirality for residue 6 atoms:  CD NZ HE2 HE3
 &rst iat=85,91,89,90, &end
#
#  chirality for residue 6 atoms:  CG CE HD2 HD3
 &rst iat=82,88,86,87, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=75,95,78,79, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=97,116,100,101, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=122,128,126,127, &end
#
#  chirality for residue 8 atoms:  CG NE HD2 HD3
 &rst iat=125,131,129,130, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=118,140,121,122, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=144,149,147,148, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=142,152,145,146, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=164,158,162,163, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=161,155,159,160, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=158,154,156,157, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=154,166,165,161, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=168,176,171,172, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=180,184,188,183, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=178,190,181,182, &end
#
#  chirality for residue 13 atoms:  N C HA2 HA3
 &rst iat=192,197,195,196, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=201,206,204,205, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=203,209,207,208, &end
#
#  chirality for residue 14 atoms:  CD NZ HE2 HE3
 &rst iat=209,215,213,214, &end
#
#  chirality for residue 14 atoms:  CG CE HD2 HD3
 &rst iat=206,212,210,211, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=199,219,202,203, &end
#
#  chirality for residue 15 atoms:  CA CG2 OG1 HB
 &rst iat=223,227,231,226, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=221,233,224,225, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=237,242,240,241, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=235,257,238,239, &end
#
#  chirality for residue 17 atoms:  CA OG HB2 HB3
 &rst iat=261,266,264,265, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=259,268,262,263, &end
#
#  chirality for residue 18 atoms:  N C HA2 HA3
 &rst iat=270,275,273,274, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 19 atoms:  CG NE HD2 HD3
 &rst iat=284,290,288,289, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=277,299,280,281, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=301,306,304,305, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=310,315,313,314, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=312,318,316,317, &end
#
#  chirality for residue 21 atoms:  CG NE HD2 HD3
 &rst iat=315,321,319,320, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=308,330,311,312, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=334,339,337,338, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=336,342,340,341, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=332,347,335,336, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=359,353,357,358, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=356,350,354,355, &end
#
#  chirality for residue 23 atoms:  CG N HD2 HD3
 &rst iat=353,349,351,352, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=349,361,360,356, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=363,371,366,367, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=375,380,378,379, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=373,395,376,377, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=399,404,402,403, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=401,406,410,405, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=397,414,400,401, &end
#
#  chirality for residue 27 atoms:  N C HA2 HA3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=423,435,426,427, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=439,444,442,443, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=437,447,440,441, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=459,453,457,458, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=456,450,454,455, &end
#
#  chirality for residue 30 atoms:  CG N HD2 HD3
 &rst iat=453,449,451,452, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=449,461,460,456, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=463,471,466,467, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=473,481,476,477, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=485,490,488,489, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=483,501,486,487, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=505,510,508,509, &end
#
#  chirality for residue 34 atoms:  CB CD1 CD2 HG
 &rst iat=507,512,516,511, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=503,520,506,507, &end
#
#  chirality for residue 35 atoms:  CA CG2 CG1 HB
 &rst iat=524,528,532,527, &end
#
#  chirality for residue 35 atoms:  CB CD1 HG12 HG13
 &rst iat=526,535,533,534, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=522,539,525,526, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=543,548,546,547, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=545,551,549,550, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=541,556,544,545, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=568,562,566,567, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=565,559,563,564, &end
#
#  chirality for residue 37 atoms:  CG N HD2 HD3
 &rst iat=562,558,560,561, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=558,570,569,565, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=574,579,577,578, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=572,582,575,576, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=586,591,589,590, &end
#
#  chirality for residue 39 atoms:  CB CD1 CD2 HG
 &rst iat=588,593,597,592, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=584,601,587,588, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=613,607,611,612, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=610,604,608,609, &end
#
#  chirality for residue 40 atoms:  CG N HD2 HD3
 &rst iat=607,603,605,606, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=603,615,614,610, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=617,625,620,621, &end
#
#  chirality for residue 42 atoms:  CA CG2 CG1 HB
 &rst iat=629,633,637,632, &end
#
#  chirality for residue 42 atoms:  CB CD1 HG12 HG13
 &rst iat=631,640,638,639, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=627,644,630,631, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=648,653,651,652, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=650,655,659,654, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=646,663,649,650, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=667,672,670,671, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=669,675,673,674, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=665,678,668,669, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=47,45,43,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=71,61,59,47, &end
#
#  trans-omega constraint for residue 6
 &rst iat=77,75,73,71, &end
#
#  trans-omega constraint for residue 7
 &rst iat=99,97,95,77, &end
#
#  trans-omega constraint for residue 8
 &rst iat=120,118,116,99, &end
#
#  trans-omega constraint for residue 9
 &rst iat=144,142,140,120, &end
#
#  trans-omega constraint for residue 10
 &rst iat=164,154,152,144, &end
#
#  trans-omega constraint for residue 11
 &rst iat=170,168,166,164, &end
#
#  trans-omega constraint for residue 12
 &rst iat=180,178,176,170, &end
#
#  trans-omega constraint for residue 13
 &rst iat=194,192,190,180, &end
#
#  trans-omega constraint for residue 14
 &rst iat=201,199,197,194, &end
#
#  trans-omega constraint for residue 15
 &rst iat=223,221,219,201, &end
#
#  trans-omega constraint for residue 16
 &rst iat=237,235,233,223, &end
#
#  trans-omega constraint for residue 17
 &rst iat=261,259,257,237, &end
#
#  trans-omega constraint for residue 18
 &rst iat=272,270,268,261, &end
#
#  trans-omega constraint for residue 19
 &rst iat=279,277,275,272, &end
#
#  trans-omega constraint for residue 20
 &rst iat=303,301,299,279, &end
#
#  trans-omega constraint for residue 21
 &rst iat=310,308,306,303, &end
#
#  trans-omega constraint for residue 22
 &rst iat=334,332,330,310, &end
#
#  trans-omega constraint for residue 23
 &rst iat=359,349,347,334, &end
#
#  trans-omega constraint for residue 24
 &rst iat=365,363,361,359, &end
#
#  trans-omega constraint for residue 25
 &rst iat=375,373,371,365, &end
#
#  trans-omega constraint for residue 26
 &rst iat=399,397,395,375, &end
#
#  trans-omega constraint for residue 27
 &rst iat=418,416,414,399, &end
#
#  trans-omega constraint for residue 28
 &rst iat=425,423,421,418, &end
#
#  trans-omega constraint for residue 29
 &rst iat=439,437,435,425, &end
#
#  trans-omega constraint for residue 30
 &rst iat=459,449,447,439, &end
#
#  trans-omega constraint for residue 31
 &rst iat=465,463,461,459, &end
#
#  trans-omega constraint for residue 32
 &rst iat=475,473,471,465, &end
#
#  trans-omega constraint for residue 33
 &rst iat=485,483,481,475, &end
#
#  trans-omega constraint for residue 34
 &rst iat=505,503,501,485, &end
#
#  trans-omega constraint for residue 35
 &rst iat=524,522,520,505, &end
#
#  trans-omega constraint for residue 36
 &rst iat=543,541,539,524, &end
#
#  trans-omega constraint for residue 37
 &rst iat=568,558,556,543, &end
#
#  trans-omega constraint for residue 38
 &rst iat=574,572,570,568, &end
#
#  trans-omega constraint for residue 39
 &rst iat=586,584,582,574, &end
#
#  trans-omega constraint for residue 40
 &rst iat=613,603,601,586, &end
#
#  trans-omega constraint for residue 41
 &rst iat=619,617,615,613, &end
#
#  trans-omega constraint for residue 42
 &rst iat=629,627,625,619, &end
#
#  trans-omega constraint for residue 43
 &rst iat=648,646,644,629, &end
#
#  trans-omega constraint for residue 44
 &rst iat=667,665,663,648, &end
#
#   30 PRO  HB-          30 PRO  HA          2.20    (#      0:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 0, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 457, 458,
 &end
#
#   30 PRO  HG-          30 PRO  HA          3.50    (#      1:20  Unique         2.74, 3.35 A)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 454, 455,
 &end
#
#   26 LEU  HB+          30 PRO  HA          6.00    (#      2:20  Unique         4.19, 5.73 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   26 LEU  HB-          30 PRO  HA          8.00    (#      3:20  Unique         4.19, 5.73 A)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 402, 403,
 &end
#
#   10 PRO  HG+          10 PRO  HA          3.50    (#      4:20  Unique         2.97, 3.94 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 159, 160,
 &end
#
#   10 PRO  HB-          10 PRO  HA          2.80    (#      5:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 162, 163,
 &end
#
#    8 ARG  HG-          10 PRO  HA          6.00    (#      6:20  Unique         3.81, 4.93 A)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 126, 127,
 &end
#
#    5 PRO  HB+           5 PRO  HA          2.20    (#      7:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1=  69,  70,
 &end
#
#    0 AMB  20-2:8        5 PRO  HA          6.00    (#      8:20  Single Ambig)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  80,  81,  86,  87,
 &end
#
#    5 PRO  HB-           5 PRO  HA          3.50    (#      9:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  69,  70,
 &end
#
#    0 AMB  20-2:10      40 PRO  HA          2.20    (#     10:20  Single Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 611, 612, 566, 567,
 &end
#
#    0 AMB  20-2:11      40 PRO  HA          6.00    (#     11:20  Single Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 608, 609, 563, 564,
 &end
#
#    0 AMB  20-2:12      40 PRO  HA          2.20    (#     12:20  Single Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 611, 612, 566, 567,
 &end
#
#    0 AMB  20-2:13      40 PRO  HA          6.00    (#     13:20  Single Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 634, 635, 636, 656, 657, 658, 660, 661, 662, 641,
       642, 643,
 &end
#
#    5 PRO  HG+           5 PRO  HA          3.50    (#     14:20  Unique         2.84, 3.89 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  66,  67,
 &end
#
#    0 AMB  20-2:15      35 ILE  HA          3.50    (#     15:20  Single Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 508, 509, 511,
 &end
#
#   35 ILE  HG1-         35 ILE  HA          3.50    (#     16:20  Unique         2.58, 2.83 A)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   35 ILE  HG1+         35 ILE  HA          3.50    (#     17:20  Unique         2.58, 2.83 A)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   35 ILE  MG2          35 ILE  HA          2.80    (#     18:20  Unique         2.39, 3.10 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 529, 530, 531,
 &end
#
#    0 AMB  20-2:19       0 AMB  20-1:19     6.00    (#     19:20  Double Ambig)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 354, 355, 536, 537, 538, 402, 403,
 igr2= 360, 525,
 &end
#
#   23 PRO  HB+          23 PRO  HA          2.20    (#     20:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 357, 358,
 &end
#
#   23 PRO  HB-          23 PRO  HA          3.50    (#     21:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 357, 358,
 &end
#
#    3 THR  MG2           3 THR  HA          3.50    (#     22:20  Unique         2.46, 3.43 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  38,  39,  40,
 &end
#
#   12 THR  MG2          12 THR  HA          2.20    (#     23:20  Unique         2.33, 3.03 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 185, 186, 187,
 &end
#
#   42 ILE  HB           42 ILE  HA          3.50    (#     24:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 24, nxpk= 20, iat= 632, 630, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ILE  HG1-         42 ILE  HA          6.00    (#     25:20  Unique         2.65, 3.52 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 638, 639,
 &end
#
#   42 ILE  HG1+         42 ILE  HA          6.00    (#     26:20  Unique         2.65, 3.52 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:27      42 ILE  HA          2.80    (#     27:20  Single Ambig)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    0 AMB  20-2:28       4 VAL  HA          2.80    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  50,  66,  67,
 &end
#
#    0 AMB  20-2:29       4 VAL  HA          2.20    (#     29:20  Single Ambig)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=  52,  53,  54,  56,  57,  58,  52,  53,  54,  56,
        57,  58,
 &end
#
#    0 AMB  20-2:30      17 SER  HA          6.00    (#     30:20  Single Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  80,  81,  86,  87,
 &end
#
#   14 LYS  HB+          14 LYS  HA          2.80    (#     31:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 204, 205,
 &end
#
#    0 AMB  20-2:32      14 LYS  HA          2.20    (#     32:20  Single Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr1= 207, 208, 228, 229, 230,
 &end
#
#   14 LYS  HB-          14 LYS  HA          6.00    (#     33:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 204, 205,
 &end
#
#    6 LYS  HB+           6 LYS  HA          2.20    (#     34:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1=  80,  81,
 &end
#
#    6 LYS  HG+           6 LYS  HA          3.50    (#     35:20  Unique         2.39, 2.80 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  83,  84,
 &end
#
#    6 LYS  HG-           6 LYS  HA          6.00    (#     36:20  Unique         2.39, 2.80 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#   35 ILE  MD1           6 LYS  HA          6.00    (#     37:20  Unique         2.84, 4.19 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 536, 537, 538,
 &end
#
#   44 GLU  HG-          44 GLU  HA          6.00    (#     38:20  Unique         2.49, 3.02 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 674,
 &end
#
#   44 GLU  HB+          44 GLU  HA          2.20    (#     39:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 668, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 670, 671,
 &end
#
#    0 AMB  20-2:40      21 ARG  HA          2.20    (#     40:20  Single Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 313, 314, 340, 341,
 &end
#
#    0 AMB  20-2:41      21 ARG  HA          2.80    (#     41:20  Single Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 316, 317, 337, 338,
 &end
#
#    0 AMB  20-2:42      34 LEU  HA          2.20    (#     42:20  Single Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 511, 508, 509,
 &end
#
#   34 LEU  MDX          34 LEU  HA          3.50    (#     43:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  MDY          34 LEU  HA          3.50    (#     44:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   26 LEU  HB-          26 LEU  HA          6.00    (#     45:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   26 LEU  HB+          26 LEU  HA          3.50    (#     46:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 402, 403,
 &end
#
#   43 LEU  MDY          43 LEU  HA          2.80    (#     47:20  Unique         2.20, 3.80 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 656, 657, 658, 660, 661, 662,
 &end
#
#   19 ARG  HB+          19 ARG  HA          3.50    (#     48:20  Unique         2.42, 2.72 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 282, 283,
 &end
#
#   19 ARG  HB-          19 ARG  HA          6.00    (#     49:20  Unique         2.42, 2.72 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283,
 &end
#
#   19 ARG  HG+          19 ARG  HA          6.00    (#     50:20  Unique         2.51, 3.28 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 285, 286,
 &end
#
#   34 LEU  MDX          31 ALA  HA          2.80    (#     51:20  Unique         2.31, 4.68 A)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  MDY          31 ALA  HA          6.00    (#     52:20  Unique         2.31, 4.68 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   11 ALA  MB           11 ALA  HA          2.20    (#     53:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 173, 174, 175,
 &end
#
#   24 ALA  MB           24 ALA  HA          2.20    (#     54:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 368, 369, 370,
 &end
#
#   32 ALA  MB           32 ALA  HA          2.20    (#     55:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 478, 479, 480,
 &end
#
#   23 PRO  HD+          22 GLN  HA          3.50    (#     56:20  Unique         2.09, 2.38 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 351, 352,
 &end
#
#    0 AMB  20-2:57      22 GLN  HA          2.80    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 351, 352, 340, 341, 337, 338,
 &end
#
#   22 GLN  HB+          22 GLN  HA          6.00    (#     58:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 337, 338,
 &end
#
#   39 LEU  HB+          39 LEU  HA          6.00    (#     59:20  Unique         2.25, 2.79 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 589, 590,
 &end
#
#   39 LEU  MDY          39 LEU  HA          6.00    (#     60:20  Unique         2.19, 3.95 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 594, 595, 596, 598, 599, 600,
 &end
#
#    0 AMB  20-2:61      41 ALA  HA          6.00    (#     61:20  Single Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 611, 612, 632, 566, 567,
 &end
#
#   41 ALA  MB           41 ALA  HA          2.20    (#     64:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 622, 623, 624,
 &end
#
#   10 PRO  HG-          10 PRO  HD+         3.50    (#     65:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 159, 160,
 igr2= 156, 157,
 &end
#
#   10 PRO  HG+          10 PRO  HD-         2.20    (#     66:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 159, 160,
 igr2= 156, 157,
 &end
#
#    5 PRO  HB+           5 PRO  HD+         6.00    (#     67:20  Unique         2.81, 3.68 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  69,  70,
 igr2=  63,  64,
 &end
#
#    0 AMB  20-2:68       0 AMB  20-1:68     2.20    (#     68:20  Double Ambig)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=  50,  66,  67,
 igr2=  63,  64,  63,  64,
 &end
#
#    0 AMB  20-2:69       0 AMB  20-1:69     6.00    (#     69:20  Double Ambig)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=  52,  53,  54,  56,  57,  58,  52,  53,  54,  56,
        57,  58,
 igr2=  63,  64,  63,  64,
 &end
#
#   37 PRO  HB+          37 PRO  HD+         6.00    (#     70:20  Unique         2.73, 3.67 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 566, 567,
 igr2= 560, 561,
 &end
#
#   37 PRO  HG+          37 PRO  HD+         2.20    (#     71:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 563, 564,
 igr2= 560, 561,
 &end
#
#    0 AMB  20-2:72       5 PRO  HD-         3.50    (#     72:20  Single Ambig)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  52,  53,  54,  56,  57,  58,  52,  53,  54,  56,
        57,  58,
 igr2=  63,  64,
 &end
#
#   37 PRO  HB+          37 PRO  HD-         6.00    (#     73:20  Unique         2.73, 3.67 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 566, 567,
 igr2= 560, 561,
 &end
#
#   37 PRO  HG+          37 PRO  HD-         2.20    (#     74:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 563, 564,
 igr2= 560, 561,
 &end
#
#   40 PRO  HB+          40 PRO  HD+         6.00    (#     75:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 611, 612,
 igr2= 605, 606,
 &end
#
#   40 PRO  HG+          40 PRO  HD+         2.20    (#     76:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 608, 609,
 igr2= 605, 606,
 &end
#
#   40 PRO  HB-          40 PRO  HD+         6.00    (#     77:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 611, 612,
 igr2= 605, 606,
 &end
#
#    0 AMB  20-2:78       0 AMB  20-1:78     6.00    (#     78:20  Double Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 589, 590, 651, 652,
 igr2= 605, 606, 605, 606,
 &end
#
#    0 AMB  20-2:79       0 AMB  20-1:79     6.00    (#     79:20  Double Ambig)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
 igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
       599, 600, 656, 657, 658, 660, 661, 662,
 igr2= 605, 606, 605, 606, 605, 606,
 &end
#
#   40 PRO  HB+          40 PRO  HD-         6.00    (#     80:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 611, 612,
 igr2= 605, 606,
 &end
#
#   40 PRO  HG+          40 PRO  HD-         2.20    (#     81:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 608, 609,
 igr2= 605, 606,
 &end
#
#   40 PRO  HB-          40 PRO  HD-         3.50    (#     82:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 611, 612,
 igr2= 605, 606,
 &end
#
#    0 AMB  20-2:83      40 PRO  HD-         3.50    (#     83:20  Single Ambig)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 589, 590, 651, 652,
 igr2= 605, 606,
 &end
#
#    0 AMB  20-2:84      40 PRO  HD-         3.50    (#     84:20  Single Ambig)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
       599, 600, 656, 657, 658, 660, 661, 662,
 igr2= 605, 606,
 &end
#
#   30 PRO  HG-          30 PRO  HD+         3.50    (#     85:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 454, 455,
 igr2= 451, 452,
 &end
#
#   30 PRO  HG+          30 PRO  HD-         3.50    (#     86:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 454, 455,
 igr2= 451, 452,
 &end
#
#   30 PRO  HB-          30 PRO  HD-         3.50    (#     87:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 457, 458,
 igr2= 451, 452,
 &end
#
#   30 PRO  HG-          30 PRO  HD-         2.80    (#     88:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 454, 455,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:90       0 AMB  20-1:90     2.80    (#     90:20  Double Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  86,  87,  80,  81,
 igr2= 273, 274, 273, 274,
 &end
#
#    0 AMB  20-2:92       0 AMB  20-1:92     2.20    (#     92:20  Double Ambig)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 123, 124, 282, 283, 313, 314,
 igr2= 129, 130, 288, 289, 319, 320,
 &end
#
#    0 AMB  20-2:93       0 AMB  20-1:93     2.20    (#     93:20  Double Ambig)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 285, 286, 316, 317,
 igr2= 288, 289, 319, 320,
 &end
#
#    8 ARG  HG+           8 ARG  HD+         2.80    (#     94:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 126, 127,
 igr2= 129, 130,
 &end
#
#    8 ARG  HG-           8 ARG  HD+         3.50    (#     95:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 126, 127,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:96       8 ARG  HD-         2.80    (#     96:20  Single Ambig)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 123, 124, 123, 124,
 igr2= 129, 130,
 &end
#
#    8 ARG  HG+           8 ARG  HD-         2.80    (#     97:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 126, 127,
 igr2= 129, 130,
 &end
#
#    8 ARG  HG-           8 ARG  HD-         3.50    (#     98:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 126, 127,
 igr2= 129, 130,
 &end
#
#   19 ARG  HB+          19 ARG  HD+         6.00    (#     99:20  Unique         2.38, 3.17 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 282, 283,
 igr2= 288, 289,
 &end
#
#    0 AMB  20-2:100      0 AMB  20-1:100    2.80    (#    100:20  Double Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 204, 205, 210, 211,
 igr2= 213, 214, 213, 214,
 &end
#
#   14 LYS  HG-          14 LYS  HE+         2.80    (#    101:20  Unique         2.43, 2.98 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 207, 208,
 igr2= 213, 214,
 &end
#
#    0 AMB  20-2:102      0 AMB  20-1:102    2.20    (#    102:20  Double Ambig)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1=  80,  81,  86,  87,
 igr2=  89,  90,  89,  90,
 &end
#
#    0 AMB  20-2:103      0 AMB  20-1:103    3.50    (#    103:20  Double Ambig)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  83,  84, 273, 274,
 igr2=  89,  90,  89,  90,
 &end
#
#    6 LYS  HG-           6 LYS  HE+         3.50    (#    104:20  Unique         2.44, 3.05 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  83,  84,
 igr2=  89,  90,
 &end
#
#   34 LEU  MDX           6 LYS  HE+         6.00    (#    105:20  Unique         2.60, 4.99 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2=  89,  90,
 &end
#
#   34 LEU  MDY           6 LYS  HE+         6.00    (#    106:20  Unique         2.60, 4.99 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2=  89,  90,
 &end
#
#   32 ALA  MB           29 ASP  HB+         6.00    (#    107:20  Unique         2.59, 4.93 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 478, 479, 480,
 igr2= 442, 443,
 &end
#
#    5 PRO  HB+          15 THR  HB          3.50    (#    108:20  Unique         2.46, 2.87 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  69,  70,
 &end
#
#    5 PRO  HG+          15 THR  HB          6.00    (#    109:20  Unique         2.89, 4.18 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  66,  67,
 &end
#
#    5 PRO  HB-          15 THR  HB          3.50    (#    110:20  Unique         2.46, 2.87 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  69,  70,
 &end
#
#   15 THR  MG2          15 THR  HB          2.20    (#    111:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 228, 229, 230,
 &end
#
#   14 LYS  HG+          12 THR  HB          3.50    (#    112:20  Unique         2.85, 4.09 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 207, 208,
 &end
#
#    3 THR  MG2           3 THR  HB          2.20    (#    113:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1=  38,  39,  40,
 &end
#
#   31 ALA  HN           30 PRO  HA          6.00    (#    114:20  Unique         3.37, 3.57 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ALA  HN           30 PRO  HA          6.00    (#    115:20  Unique         3.76, 4.03 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 474, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HE3          30 PRO  HA          6.00    (#    116:20  Unique         5.56, 5.95 A)
 &rst
  ixpk= 116, nxpk= 20, iat= 393, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 ALA  HN           10 PRO  HA          6.00    (#    117:20  Unique         3.50, 3.52 A)
 &rst
  ixpk= 117, nxpk= 20, iat= 169, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 ALA  HN           40 PRO  HA          2.20    (#    118:20  Unique         2.13, 2.23 A)
 &rst
  ixpk= 118, nxpk= 20, iat= 618, 614, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    6 LYS  HN            5 PRO  HA          2.20    (#    119:20  Unique         2.21, 2.26 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  76,  72, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    7 TYR  HN            5 PRO  HA          6.00    (#    120:20  Unique         3.80, 3.99 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  98,  72, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLN  HN           35 ILE  HA          2.20    (#    123:20  Unique         2.10, 2.14 A)
 &rst
  ixpk= 123, nxpk= 20, iat= 542, 525, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   35 ILE  HN           35 ILE  HA          6.00    (#    124:20  Unique         2.87, 2.93 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 523, 525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ALA  HN           23 PRO  HA          6.00    (#    125:20  Unique         2.28, 2.35 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 364, 360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HN            3 THR  HA          2.80    (#    126:20  Unique         2.34, 2.41 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  46,  34, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 THR  HN           12 THR  HA          6.00    (#    127:20  Unique         3.01, 3.01 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:128     42 ILE  HA          2.20    (#    128:20  Single Ambig)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 647, 666,
 &end
#
#   42 ILE  HN           42 ILE  HA          6.00    (#    129:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 129, nxpk= 20, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HN            4 VAL  HA          6.00    (#    131:20  Unique         2.89, 2.96 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  46,  48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 LYS  HN           17 SER  HA          3.50    (#    132:20  Unique         1.99, 2.12 A)
 &rst
  ixpk= 132, nxpk= 20, iat=  76, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 THR  HN           14 LYS  HA          2.20    (#    133:20  Unique         2.24, 2.25 A)
 &rst
  ixpk= 133, nxpk= 20, iat= 222, 202, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   14 LYS  HN           14 LYS  HA          6.00    (#    134:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 134, nxpk= 20, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HN            6 LYS  HA          3.50    (#    135:20  Unique         3.49, 3.52 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  98,  78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 LYS  HN            6 LYS  HA          3.50    (#    136:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  76,  78, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 TRP  HN           25 TRP  HA          3.50    (#    137:20  Unique         2.84, 2.88 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 TRP  HD1          25 TRP  HA          6.00    (#    138:20  Unique         4.26, 4.33 A)
 &rst
  ixpk= 138, nxpk= 20, iat= 382, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:139     21 ARG  HA          2.20    (#    139:20  Single Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 333, 309,
 &end
#
#   35 ILE  HN           34 LEU  HA          2.20    (#    140:20  Unique         2.16, 2.19 A)
 &rst
  ixpk= 140, nxpk= 20, iat= 523, 506, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   34 LEU  HN           34 LEU  HA          6.00    (#    141:20  Unique         2.82, 2.88 A)
 &rst
  ixpk= 141, nxpk= 20, iat= 504, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:142     34 LEU  HA          3.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 106, 115, 492, 500,
 &end
#
#    0 AMB  20-2:143     26 LEU  HA          6.00    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 393, 433, 434,
 &end
#
#   27 GLY  HN           26 LEU  HA          6.00    (#    144:20  Unique         2.54, 3.39 A)
 &rst
  ixpk= 144, nxpk= 20, iat= 417, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HH2          26 LEU  HA          6.00    (#    145:20  Unique         5.39, 5.94 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:146     43 LEU  HA          2.80    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 666, 647,
 &end
#
#   20 GLY  HN           19 ARG  HA          3.50    (#    148:20  Unique         2.16, 2.25 A)
 &rst
  ixpk= 148, nxpk= 20, iat= 302, 280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 PHE  HE           31 ALA  HA          6.00    (#    149:20  Unique         5.11, 7.08 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 494, 498,
 &end
#
#   31 ALA  HN           31 ALA  HA          2.80    (#    150:20  Unique         2.78, 2.83 A)
 &rst
  ixpk= 150, nxpk= 20, iat= 464, 466, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 ALA  HN           31 ALA  HA          6.00    (#    151:20  Unique         3.48, 3.52 A)
 &rst
  ixpk= 151, nxpk= 20, iat= 474, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 PHE  HN           32 ALA  HA          6.00    (#    152:20  Unique         3.48, 3.51 A)
 &rst
  ixpk= 152, nxpk= 20, iat= 484, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ALA  HN           32 ALA  HA          3.50    (#    153:20  Unique         2.80, 2.86 A)
 &rst
  ixpk= 153, nxpk= 20, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ILE  HN           41 ALA  HA          2.80    (#    154:20  Unique         2.23, 2.54 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 628, 620, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 ALA  HN           41 ALA  HA          3.50    (#    158:20  Unique         2.85, 2.93 A)
 &rst
  ixpk= 158, nxpk= 20, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 TRP  HE3          10 PRO  HD+         6.00    (#    159:20  Unique         4.67, 5.18 A)
 &rst
  ixpk= 159, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 156, 157,
 &end
#
#   11 ALA  HN           10 PRO  HD-         3.50    (#    160:20  Unique         2.71, 3.44 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 156, 157,
 &end
#
#   25 TRP  HE3          10 PRO  HD-         6.00    (#    161:20  Unique         4.67, 5.18 A)
 &rst
  ixpk= 161, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 156, 157,
 &end
#
#   31 ALA  HN           30 PRO  HD+         6.00    (#    162:20  Unique         3.06, 3.80 A)
 &rst
  ixpk= 162, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#   29 ASP  HN           30 PRO  HD-         6.00    (#    163:20  Unique         2.99, 3.83 A)
 &rst
  ixpk= 163, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#   28 ASN  HN           27 GLY  HA+         3.50    (#    164:20  Unique         2.16, 3.04 A)
 &rst
  ixpk= 164, nxpk= 20, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 419, 420,
 &end
#
#   27 GLY  HN           27 GLY  HA+         3.50    (#    165:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 165, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 419, 420,
 &end
#
#   28 ASN  HN           27 GLY  HA-         6.00    (#    166:20  Unique         2.16, 3.04 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#   27 GLY  HN           27 GLY  HA-         2.80    (#    167:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 419, 420,
 &end
#
#   13 GLY  HN           13 GLY  HA+         3.50    (#    168:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 168, nxpk= 20, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 195, 196,
 &end
#
#   13 GLY  HN           13 GLY  HA-         2.80    (#    169:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 169, nxpk= 20, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 195, 196,
 &end
#
#   20 GLY  HN           20 GLY  HA+         6.00    (#    170:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 304, 305,
 &end
#
#   21 ARG  HN           20 GLY  HA+         2.80    (#    171:20  Unique         2.37, 2.60 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 304, 305,
 &end
#
#   20 GLY  HN           20 GLY  HA-         3.50    (#    172:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 172, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 304, 305,
 &end
#
#   21 ARG  HN           20 GLY  HA-         3.50    (#    173:20  Unique         2.37, 2.60 A)
 &rst
  ixpk= 173, nxpk= 20, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 304, 305,
 &end
#
#   16 TRP  HH2          18 GLY  HA+         3.50    (#    174:20  Unique         2.54, 3.49 A)
 &rst
  ixpk= 174, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 273, 274,
 &end
#
#   34 LEU  HN           34 LEU  HB+         3.50    (#    175:20  Unique         2.02, 2.62 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 508, 509,
 &end
#
#   34 LEU  HN           34 LEU  HB-         3.50    (#    176:20  Unique         2.02, 2.62 A)
 &rst
  ixpk= 176, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 508, 509,
 &end
#
#    7 TYR  HN            7 TYR  HB+         6.00    (#    177:20  Unique         2.69, 3.28 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:178      0 AMB  20-1:178    3.50    (#    178:20  Double Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 492, 500, 106, 115, 255,
 igr2= 102, 103, 102, 103, 102, 103,
 &end
#
#    0 AMB  20-2:179      7 TYR  HB-         3.50    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 492, 500, 106, 115, 255,
 igr2= 102, 103,
 &end
#
#    0 AMB  20-2:180      0 AMB  20-1:180    6.00    (#    180:20  Double Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 647, 666,
 igr2= 651, 652, 651, 652,
 &end
#
#    0 AMB  20-2:181     43 LEU  HB-         6.00    (#    181:20  Single Ambig)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 647, 666,
 igr2= 651, 652,
 &end
#
#   39 LEU  HN           39 LEU  HB+         2.80    (#    182:20  Unique         2.66, 3.14 A)
 &rst
  ixpk= 182, nxpk= 20, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 589, 590,
 &end
#
#    9 ASP  HN            9 ASP  HB-         6.00    (#    183:20  Unique         2.26, 2.46 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 147, 148,
 &end
#
#    9 ASP  HN            9 ASP  HB+         3.50    (#    184:20  Unique         2.26, 2.46 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 147, 148,
 &end
#
#   29 ASP  HN           29 ASP  HB+         3.50    (#    185:20  Unique         2.81, 3.19 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 442, 443,
 &end
#
#   38 ASP  HN           38 ASP  HB+         8.00    (#    186:20  Unique         2.29, 2.81 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 577, 578,
 &end
#
#   39 LEU  HN           38 ASP  HB+         6.00    (#    187:20  Unique         2.86, 3.94 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   38 ASP  HN           38 ASP  HB-         6.00    (#    188:20  Unique         2.29, 2.81 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   29 ASP  HN           29 ASP  HB-         6.00    (#    189:20  Unique         2.81, 3.19 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 442, 443,
 &end
#
#   33 PHE  HN           33 PHE  HB-         6.00    (#    190:20  Unique         3.23, 3.56 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   25 TRP  HE3          33 PHE  HB-         6.00    (#    191:20  Unique         3.50, 4.32 A)
 &rst
  ixpk= 191, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#    0 AMB  20-2:192     33 PHE  HB-         3.50    (#    192:20  Single Ambig)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 492, 500, 106, 115,
 igr2= 488, 489,
 &end
#
#   28 ASN  HN           28 ASN  HB+         6.00    (#    193:20  Unique         2.44, 3.16 A)
 &rst
  ixpk= 193, nxpk= 20, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 428, 429,
 &end
#
#   28 ASN  HN           28 ASN  HB-         6.00    (#    194:20  Unique         2.44, 3.16 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 428, 429,
 &end
#
#   28 ASN  HD2+         28 ASN  HB-         6.00    (#    195:20  Unique         2.22, 3.25 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 433, 434,
 igr2= 428, 429,
 &end
#
#   42 ILE  HN           42 ILE  HB          6.00    (#    196:20  Unique         2.61, 3.07 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLN  HN           35 ILE  HB          6.00    (#    197:20  Unique         4.14, 4.29 A)
 &rst
  ixpk= 197, nxpk= 20, iat= 542, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HN           35 ILE  HB          3.50    (#    198:20  Unique         2.44, 2.53 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 523, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 TYR  HN            6 LYS  HB+         6.00    (#    199:20  Unique         2.93, 3.60 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#    6 LYS  HN            6 LYS  HB+         3.50    (#    200:20  Unique         2.58, 2.96 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  80,  81,
 &end
#
#    7 TYR  HD            6 LYS  HB+         6.00    (#    201:20  Unique         2.27, 4.83 A)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 106, 115,
 igr2=  80,  81,
 &end
#
#   36 GLN  HN           36 GLN  HG+         6.00    (#    202:20  Unique         2.25, 3.35 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:203      0 AMB  20-1:203    3.50    (#    203:20  Double Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 345, 346, 249,
 igr2= 340, 341, 340, 341,
 &end
#
#   36 GLN  HE2+         36 GLN  HG+         6.00    (#    204:20  Unique         2.26, 3.34 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 554, 555,
 igr2= 549, 550,
 &end
#
#   14 LYS  HN           14 LYS  HB+         6.00    (#    205:20  Unique         2.35, 3.00 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#   15 THR  HN           14 LYS  HB+         6.00    (#    206:20  Unique         2.81, 3.44 A)
 &rst
  ixpk= 206, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#    4 VAL  HN            4 VAL  HB          6.00    (#    207:20  Unique         3.64, 3.86 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  46,  50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:208      0 AMB  20-1:208    3.50    (#    208:20  Double Ambig)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 255, 387, 106, 115,
 igr2= 240, 241, 240, 241, 240, 241,
 &end
#
#    0 AMB  20-2:209      0 AMB  20-1:209    6.00    (#    209:20  Double Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 253, 108, 113,
 igr2= 240, 241, 240, 241,
 &end
#
#    0 AMB  20-2:210     16 TRP  HB-         3.50    (#    210:20  Single Ambig)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 255, 387, 106, 115,
 igr2= 240, 241,
 &end
#
#    0 AMB  20-2:211     16 TRP  HB-         6.00    (#    211:20  Single Ambig)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 253, 108, 113,
 igr2= 240, 241,
 &end
#
#   38 ASP  HN           37 PRO  HB+         6.00    (#    212:20  Unique         3.20, 4.16 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 566, 567,
 &end
#
#   11 ALA  HN           10 PRO  HB-         6.00    (#    213:20  Unique         3.05, 4.07 A)
 &rst
  ixpk= 213, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#   25 TRP  HD1          23 PRO  HB+         6.00    (#    214:20  Unique         2.87, 3.81 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 357, 358,
 &end
#
#   38 ASP  HN           37 PRO  HB-         6.00    (#    215:20  Unique         3.20, 4.16 A)
 &rst
  ixpk= 215, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 566, 567,
 &end
#
#   33 PHE  HE           30 PRO  HB+         6.00    (#    216:20  Unique         2.72, 5.93 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 494, 498,
 igr2= 457, 458,
 &end
#
#   33 PHE  HE           30 PRO  HB-         6.00    (#    217:20  Unique         2.72, 5.93 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 494, 498,
 igr2= 457, 458,
 &end
#
#   19 ARG  HN           19 ARG  HB-         6.00    (#    218:20  Unique         2.45, 3.10 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#    0 AMB  20-2:220      0 AMB  20-1:220    2.80    (#    220:20  Double Ambig)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 309, 333,
 igr2= 313, 314, 313, 314,
 &end
#
#   22 GLN  HN           22 GLN  HB+         3.50    (#    223:20  Unique         2.32, 2.88 A)
 &rst
  ixpk= 223, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   16 TRP  HH2          22 GLN  HB+         6.00    (#    224:20  Unique         3.07, 4.79 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:225      0 AMB  20-1:225    6.00    (#    225:20  Double Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 249, 345, 346,
 igr2= 337, 338, 337, 338,
 &end
#
#   22 GLN  HN           22 GLN  HB-         3.50    (#    226:20  Unique         2.32, 2.88 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   36 GLN  HN           36 GLN  HB+         6.00    (#    227:20  Unique         2.38, 3.35 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 546, 547,
 &end
#
#   36 GLN  HN           36 GLN  HB-         3.50    (#    228:20  Unique         2.38, 3.35 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   35 ILE  HN           35 ILE  HG1-        3.50    (#    229:20  Unique         2.12, 2.99 A)
 &rst
  ixpk= 229, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 533, 534,
 &end
#
#   35 ILE  HN           35 ILE  HG1+        6.00    (#    230:20  Unique         2.12, 2.99 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   25 TRP  HD1          25 TRP  HB+         6.00    (#    231:20  Unique         2.55, 3.18 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 378, 379,
 &end
#
#   25 TRP  HH2          25 TRP  HB+         6.00    (#    232:20  Unique         6.41, 6.88 A)
 &rst
  ixpk= 232, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 378, 379,
 &end
#
#   25 TRP  HD1          25 TRP  HB-         3.50    (#    233:20  Unique         2.55, 3.18 A)
 &rst
  ixpk= 233, nxpk= 20, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 378, 379,
 &end
#
#    0 AMB  20-2:234     25 TRP  HB-         6.00    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 374, 492, 500,
 igr2= 378, 379,
 &end
#
#   42 ILE  HN           42 ILE  HG1-        6.00    (#    235:20  Unique         2.32, 3.90 A)
 &rst
  ixpk= 235, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 638, 639,
 &end
#
#   42 ILE  HN           42 ILE  HG1+        6.00    (#    236:20  Unique         2.32, 3.90 A)
 &rst
  ixpk= 236, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 638, 639,
 &end
#
#   11 ALA  HN           10 PRO  HG+         6.00    (#    237:20  Unique         2.73, 3.58 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:238      0 AMB  20-1:238    6.00    (#    238:20  Double Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 169, 464,
 igr2= 159, 160, 454, 455,
 &end
#
#   34 LEU  HN           34 LEU  HG          6.00    (#    239:20  Unique         2.92, 3.78 A)
 &rst
  ixpk= 239, nxpk= 20, iat= 504, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASP  HN            8 ARG  HG+         6.00    (#    240:20  Unique         3.13, 3.37 A)
 &rst
  ixpk= 240, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 126, 127,
 &end
#
#    0 AMB  20-2:241     21 ARG  HG-         6.00    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 309, 333,
 igr2= 316, 317,
 &end
#
#    0 AMB  20-2:242     43 LEU  HG          6.00    (#    242:20  Single Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 647, 666,
 &end
#
#    0 AMB  20-2:243      0 AMB  20-1:243    6.00    (#    243:20  Double Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 309, 333,
 igr2= 316, 317, 316, 317,
 &end
#
#   19 ARG  HN           19 ARG  HG+         6.00    (#    244:20  Unique         2.26, 3.89 A)
 &rst
  ixpk= 244, nxpk= 20, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 285, 286,
 &end
#
#    0 AMB  20-2:245     39 LEU  HG          6.00    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 585, 628,
 &end
#
#   14 LYS  HN           14 LYS  HG+         6.00    (#    246:20  Unique         2.19, 2.92 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 207, 208,
 &end
#
#    9 ASP  HN           15 THR  MG2         6.00    (#    247:20  Unique         4.23, 5.15 A)
 &rst
  ixpk= 247, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 228, 229, 230,
 &end
#
#   15 THR  HN           15 THR  MG2         6.00    (#    248:20  Unique         2.98, 3.95 A)
 &rst
  ixpk= 248, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 228, 229, 230,
 &end
#
#   16 TRP  HN           15 THR  HB          3.50    (#    249:20  Unique         2.49, 2.55 A)
 &rst
  ixpk= 249, nxpk= 20, iat= 236, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 TRP  HN           15 THR  MG2         6.00    (#    250:20  Unique         3.68, 4.42 A)
 &rst
  ixpk= 250, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 228, 229, 230,
 &end
#
#   12 THR  HN           12 THR  MG2         3.50    (#    251:20  Unique         2.90, 3.70 A)
 &rst
  ixpk= 251, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 185, 186, 187,
 &end
#
#    4 VAL  HN            4 VAL  MGX         6.00    (#    252:20  Unique         2.02, 3.60 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    4 VAL  HN            4 VAL  MGY         3.50    (#    253:20  Unique         2.02, 3.60 A)
 &rst
  ixpk= 253, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   11 ALA  HN           11 ALA  MB          2.20    (#    254:20  Unique         2.43, 2.85 A)
 &rst
  ixpk= 254, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 173, 174, 175,
 &end
#
#   12 THR  HN           11 ALA  MB          6.00    (#    255:20  Unique         2.64, 3.55 A)
 &rst
  ixpk= 255, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 173, 174, 175,
 &end
#
#   41 ALA  HN           41 ALA  MB          2.80    (#    256:20  Unique         2.47, 3.14 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 622, 623, 624,
 &end
#
#   42 ILE  HN           41 ALA  MB          6.00    (#    257:20  Unique         2.29, 3.78 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 622, 623, 624,
 &end
#
#   32 ALA  HN           31 ALA  MB          6.00    (#    259:20  Unique         3.00, 3.86 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 468, 469, 470,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.20    (#    260:20  Unique         2.41, 2.84 A)
 &rst
  ixpk= 260, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 468, 469, 470,
 &end
#
#   33 PHE  HE           31 ALA  MB          6.00    (#    261:20  Unique         6.27, 8.21 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 494, 498,
 igr2= 468, 469, 470,
 &end
#
#   24 ALA  HN           24 ALA  MB          6.00    (#    262:20  Unique         2.41, 2.84 A)
 &rst
  ixpk= 262, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 368, 369, 370,
 &end
#
#   25 TRP  HN           24 ALA  MB          6.00    (#    263:20  Unique         2.69, 3.56 A)
 &rst
  ixpk= 263, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 368, 369, 370,
 &end
#
#   33 PHE  HN           32 ALA  MB          6.00    (#    264:20  Unique         2.83, 3.70 A)
 &rst
  ixpk= 264, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 478, 479, 480,
 &end
#
#   32 ALA  HN           32 ALA  MB          2.20    (#    265:20  Unique         2.42, 2.84 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 478, 479, 480,
 &end
#
#    0 AMB  20-2:266     32 ALA  MB          6.00    (#    266:20  Single Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 433, 434, 393, 554, 555,
 igr2= 478, 479, 480,
 &end
#
#    4 VAL  HN            3 THR  HB          6.00    (#    267:20  Unique         2.22, 2.81 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  46,  36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HA           35 ILE  MD1         6.00    (#    268:20  Unique         4.50, 4.70 A)
 &rst
  ixpk= 268, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 536, 537, 538,
 &end
#
#    6 LYS  HA           35 ILE  MD1         6.00    (#    269:20  Unique         2.84, 4.19 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 536, 537, 538,
 &end
#
#   42 ILE  HA           42 ILE  MD1         6.00    (#    270:20  Unique         2.22, 3.59 A)
 &rst
  ixpk= 270, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 641, 642, 643,
 &end
#
#   31 ALA  HA           34 LEU  HB+         6.00    (#    271:20  Unique         2.32, 2.96 A)
 &rst
  ixpk= 271, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 508, 509,
 &end
#
#   34 LEU  HA           34 LEU  HB+         3.50    (#    272:20  Unique         2.57, 2.84 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 508, 509,
 &end
#
#   34 LEU  HA           34 LEU  HB-         3.50    (#    273:20  Unique         2.57, 2.84 A)
 &rst
  ixpk= 273, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 508, 509,
 &end
#
#   43 LEU  HA           43 LEU  HB+         3.50    (#    274:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:275      0 AMB  20-1:275    6.00    (#    275:20  Double Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 183, 202,
 igr2= 213, 214, 213, 214,
 &end
#
#   43 LEU  HA           43 LEU  HB-         3.50    (#    276:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 276, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 651, 652,
 &end
#
#   40 PRO  HD-          39 LEU  HB+         6.00    (#    277:20  Unique         2.27, 3.94 A)
 &rst
  ixpk= 277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 605, 606,
 igr2= 589, 590,
 &end
#
#   39 LEU  HA           39 LEU  HB+         2.80    (#    278:20  Unique         2.25, 2.79 A)
 &rst
  ixpk= 278, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 589, 590,
 &end
#
#   40 PRO  HD+          39 LEU  HB+         8.00    (#    279:20  Unique         2.27, 3.94 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 605, 606,
 igr2= 589, 590,
 &end
#
#   30 PRO  HA           26 LEU  HB+         8.00    (#    280:20  Unique         4.19, 5.73 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 402, 403,
 &end
#
#   26 LEU  HA           26 LEU  HB+         6.00    (#    281:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 281, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#   26 LEU  HA           26 LEU  HB-         6.00    (#    282:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 282, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#    9 ASP  HA            9 ASP  HB-         3.50    (#    283:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 147, 148,
 &end
#
#    9 ASP  HA            9 ASP  HB+         6.00    (#    284:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 147, 148,
 &end
#
#   29 ASP  HA           29 ASP  HB+         3.50    (#    285:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 285, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 442, 443,
 &end
#
#   38 ASP  HA           38 ASP  HB+         2.80    (#    286:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 286, nxpk= 20, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 577, 578,
 &end
#
#   38 ASP  HA           38 ASP  HB-         3.50    (#    287:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 577, 578,
 &end
#
#   29 ASP  HA           29 ASP  HB-         2.80    (#    288:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 288, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 442, 443,
 &end
#
#   28 ASN  HA           28 ASN  HB+         2.80    (#    289:20  Unique         2.33, 2.65 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 428, 429,
 &end
#
#   28 ASN  HA           28 ASN  HB-         2.80    (#    290:20  Unique         2.33, 2.65 A)
 &rst
  ixpk= 290, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 428, 429,
 &end
#
#   42 ILE  HA           42 ILE  HB          3.50    (#    291:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 291, nxpk= 20, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 ILE  HA           35 ILE  HB          6.00    (#    292:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 292, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:294      0 AMB  20-1:294    2.20    (#    294:20  Double Ambig)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 262,  78,
 igr2=  80,  81,  80,  81,
 &end
#
#    8 ARG  HA            8 ARG  HB+         6.00    (#    295:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 295, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 123, 124,
 &end
#
#    8 ARG  HA            8 ARG  HB-         6.00    (#    296:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 296, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:297      0 AMB  20-1:297    6.00    (#    297:20  Double Ambig)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 560, 561, 560, 561,
 igr2= 549, 550, 549, 550,
 &end
#
#   36 GLN  HA           36 GLN  HG+         3.50    (#    298:20  Unique         2.49, 3.23 A)
 &rst
  ixpk= 298, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 549, 550,
 &end
#
#   14 LYS  HA           14 LYS  HB+         3.50    (#    299:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#    5 PRO  HD-           4 VAL  HB          3.50    (#    300:20  Unique         2.18, 2.94 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  63,  64,
 &end
#
#    4 VAL  HA            4 VAL  HB          2.80    (#    301:20  Unique         2.50, 2.51 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  48,  50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 PRO  HD+           4 VAL  HB          6.00    (#    302:20  Unique         2.18, 2.94 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  63,  64,
 &end
#
#   10 PRO  HD+          10 PRO  HB+         6.00    (#    303:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 156, 157,
 igr2= 162, 163,
 &end
#
#    0 AMB  20-2:304      0 AMB  20-1:304    2.20    (#    304:20  Double Ambig)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 165, 156, 157,
 igr2= 162, 163, 162, 163,
 &end
#
#   37 PRO  HD+          37 PRO  HB+         3.50    (#    305:20  Unique         2.73, 3.67 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 560, 561,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:306      0 AMB  20-1:306    6.00    (#    306:20  Double Ambig)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  63,  64, 264, 265,
 igr2=  69,  70,  69,  70,
 &end
#
#    0 AMB  20-2:307      0 AMB  20-1:307    3.50    (#    307:20  Double Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 226, 262,
 igr2=  69,  70,  69,  70,
 &end
#
#    5 PRO  HA            5 PRO  HB+         2.80    (#    308:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 308, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  69,  70,
 &end
#
#    0 AMB  20-2:309     10 PRO  HB-         2.20    (#    309:20  Single Ambig)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 165, 156, 157,
 igr2= 162, 163,
 &end
#
#   23 PRO  HA           23 PRO  HB+         2.80    (#    310:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 310, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 357, 358,
 &end
#
#    0 AMB  20-2:311      5 PRO  HB-         3.50    (#    311:20  Single Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 226, 262,
 igr2=  69,  70,
 &end
#
#    5 PRO  HA            5 PRO  HB-         6.00    (#    312:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 312, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#    0 AMB  20-2:313      5 PRO  HB-         6.00    (#    313:20  Single Ambig)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  63,  64, 264, 265,
 igr2=  69,  70,
 &end
#
#    5 PRO  HD-           5 PRO  HB-         6.00    (#    314:20  Unique         2.81, 3.68 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  63,  64,
 igr2=  69,  70,
 &end
#
#   23 PRO  HA           23 PRO  HB-         6.00    (#    315:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 315, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 357, 358,
 &end
#
#   40 PRO  HA            0 AMB  20-1:316    2.20    (#    316:20  Single Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr2= 611, 612, 566, 567,
 &end
#
#   41 ALA  HA            0 AMB  20-1:317    6.00    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 611, 612, 566, 567,
 &end
#
#   40 PRO  HA            0 AMB  20-1:318    2.80    (#    318:20  Single Ambig)
 &rst
  ixpk= 318, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 611, 612, 566, 567,
 &end
#
#   40 PRO  HD+          40 PRO  HB-         6.00    (#    319:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 605, 606,
 igr2= 611, 612,
 &end
#
#   40 PRO  HD-          40 PRO  HB-         3.50    (#    320:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 605, 606,
 igr2= 611, 612,
 &end
#
#   30 PRO  HA           30 PRO  HB+         2.20    (#    321:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 321, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 457, 458,
 &end
#
#   30 PRO  HD+          30 PRO  HB+         6.00    (#    322:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 457, 458,
 &end
#
#   30 PRO  HD-          30 PRO  HB+         6.00    (#    323:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 457, 458,
 &end
#
#   30 PRO  HA           30 PRO  HB-         2.20    (#    324:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 324, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 457, 458,
 &end
#
#   30 PRO  HD+          30 PRO  HB-         6.00    (#    325:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 457, 458,
 &end
#
#   19 ARG  HA           19 ARG  HB+         3.50    (#    326:20  Unique         2.42, 2.72 A)
 &rst
  ixpk= 326, nxpk= 20, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 282, 283,
 &end
#
#   19 ARG  HA           19 ARG  HB-         6.00    (#    327:20  Unique         2.42, 2.72 A)
 &rst
  ixpk= 327, nxpk= 20, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#   21 ARG  HA           21 ARG  HB+         2.80    (#    329:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 313, 314,
 &end
#
#   36 GLN  HA           36 GLN  HB+         3.50    (#    330:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   37 PRO  HD-          36 GLN  HB+         3.50    (#    331:20  Unique         2.20, 3.56 A)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 560, 561,
 igr2= 546, 547,
 &end
#
#   36 GLN  HA           36 GLN  HB-         3.50    (#    332:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 546, 547,
 &end
#
#   37 PRO  HD-          36 GLN  HB-         6.00    (#    333:20  Unique         2.20, 3.56 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 546, 547,
 &end
#
#   35 ILE  HA           35 ILE  HG1-        6.00    (#    334:20  Unique         2.58, 2.83 A)
 &rst
  ixpk= 334, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   35 ILE  HA           35 ILE  HG1+        6.00    (#    335:20  Unique         2.58, 2.83 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#    5 PRO  HD+           5 PRO  HG+         2.20    (#    336:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  63,  64,
 igr2=  66,  67,
 &end
#
#   42 ILE  HA           42 ILE  HG1+        6.00    (#    337:20  Unique         2.65, 3.52 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 638, 639,
 &end
#
#   10 PRO  HD+          10 PRO  HG+         3.50    (#    338:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 157,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:339      0 AMB  20-1:339    3.50    (#    339:20  Double Ambig)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 156, 157, 165,
 igr2= 159, 160, 159, 160,
 &end
#
#   10 PRO  HD+          10 PRO  HG-         3.50    (#    340:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 157,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:341     10 PRO  HG-         2.80    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 156, 157, 165,
 igr2= 159, 160,
 &end
#
#   30 PRO  HD-          30 PRO  HG+         6.00    (#    342:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 454, 455,
 &end
#
#    5 PRO  HA            5 PRO  HG+         3.50    (#    343:20  Unique         2.84, 3.89 A)
 &rst
  ixpk= 343, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:344      0 AMB  20-1:344    3.50    (#    344:20  Double Ambig)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 614, 569,
 igr2= 608, 609, 563, 564, 563, 564,
 &end
#
#   37 PRO  HD+          37 PRO  HG+         2.20    (#    345:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 560, 561,
 igr2= 563, 564,
 &end
#
#   30 PRO  HA           30 PRO  HG-         6.00    (#    346:20  Unique         2.74, 3.35 A)
 &rst
  ixpk= 346, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:347     30 PRO  HG-         3.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 451, 452, 419, 420,
 igr2= 454, 455,
 &end
#
#   30 PRO  HD-          30 PRO  HG-         3.50    (#    348:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 451, 452,
 igr2= 454, 455,
 &end
#
#   31 ALA  HA           34 LEU  HG          6.00    (#    349:20  Unique         3.50, 4.32 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 466, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 ARG  HA            8 ARG  HG+         6.00    (#    350:20  Unique         2.32, 2.79 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 126, 127,
 &end
#
#   21 ARG  HA           21 ARG  HG-         6.00    (#    351:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 316, 317,
 &end
#
#   21 ARG  HA           21 ARG  HG+         6.00    (#    352:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 352, nxpk= 20, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 316, 317,
 &end
#
#   19 ARG  HA           19 ARG  HG+         3.50    (#    353:20  Unique         2.51, 3.28 A)
 &rst
  ixpk= 353, nxpk= 20, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 285, 286,
 &end
#
#    0 AMB  20-2:354     14 LYS  HG-         3.50    (#    354:20  Single Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 202, 183,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:355      0 AMB  20-1:355    3.50    (#    355:20  Double Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 202, 183,
 igr2= 207, 208, 207, 208,
 &end
#
#    0 AMB  20-2:356      0 AMB  20-1:356    6.00    (#    356:20  Double Ambig)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  78, 262,
 igr2=  83,  84,  83,  84,
 &end
#
#   39 LEU  HA           39 LEU  MDX         6.00    (#    357:20  Unique         2.19, 3.95 A)
 &rst
  ixpk= 357, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 594, 595, 596, 598, 599, 600,
 &end
#
#   17 SER  HA           34 LEU  MDX         6.00    (#    358:20  Unique         6.88, 8.77 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   31 ALA  HA           34 LEU  MDX         3.50    (#    359:20  Unique         2.31, 4.68 A)
 &rst
  ixpk= 359, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  HA           34 LEU  MDX         6.00    (#    360:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  HA           34 LEU  MDY         3.50    (#    361:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 361, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#    0 AMB  20-2:362      3 THR  MG2         3.50    (#    362:20  Single Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  34,  48,
 igr2=  38,  39,  40,
 &end
#
#    3 THR  HB            3 THR  MG2         2.80    (#    363:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  38,  39,  40,
 &end
#
#   15 THR  HA           15 THR  MG2         2.80    (#    364:20  Unique         2.44, 3.05 A)
 &rst
  ixpk= 364, nxpk= 20, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 228, 229, 230,
 &end
#
#    8 ARG  HA           15 THR  MG2         6.00    (#    365:20  Unique         2.51, 3.75 A)
 &rst
  ixpk= 365, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 228, 229, 230,
 &end
#
#   15 THR  HB           15 THR  MG2         2.20    (#    366:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 366, nxpk= 20, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 228, 229, 230,
 &end
#
#   14 LYS  HA           15 THR  MG2         6.00    (#    368:20  Unique         3.68, 4.83 A)
 &rst
  ixpk= 368, nxpk= 20, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 228, 229, 230,
 &end
#
#    5 PRO  HA            4 VAL  MGX         6.00    (#    369:20  Unique         4.82, 6.36 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   12 THR  HA           12 THR  MG2         2.20    (#    372:20  Unique         2.33, 3.03 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 185, 186, 187,
 &end
#
#    0 AMB  20-2:373     12 THR  MG2         6.00    (#    373:20  Single Ambig)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 171, 156, 157,
 igr2= 185, 186, 187,
 &end
#
#   12 THR  HB           12 THR  MG2         2.20    (#    374:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 185, 186, 187,
 &end
#
#    0 AMB  20-2:375      4 VAL  MGX         6.00    (#    375:20  Single Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=  63,  64,  25,  26, 264, 265,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 PRO  HD-           4 VAL  MGX         3.50    (#    376:20  Unique         3.20, 4.85 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  63,  64,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:377      4 VAL  MGX         2.80    (#    377:20  Single Ambig)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  48,  34,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:381      4 VAL  MGY         2.80    (#    381:20  Single Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  48,  34,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:382      4 VAL  MGY         6.00    (#    382:20  Single Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=  63,  64,  25,  26, 264, 265, 264, 265,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 PRO  HD-           4 VAL  MGY         6.00    (#    383:20  Unique         3.20, 4.85 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  63,  64,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   11 ALA  HA           11 ALA  MB          2.20    (#    384:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 173, 174, 175,
 &end
#
#   33 PHE  HB+          11 ALA  MB          6.00    (#    385:20  Unique         7.27, 8.40 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 488, 489,
 igr2= 173, 174, 175,
 &end
#
#   12 THR  HA           11 ALA  MB          6.00    (#    387:20  Unique         4.79, 5.24 A)
 &rst
  ixpk= 387, nxpk= 20, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 173, 174, 175,
 &end
#
#    0 AMB  20-2:388     11 ALA  MB          6.00    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 183, 195, 196,
 igr2= 173, 174, 175,
 &end
#
#   40 PRO  HA           41 ALA  MB          6.00    (#    389:20  Unique         4.28, 4.87 A)
 &rst
  ixpk= 389, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 622, 623, 624,
 &end
#
#   41 ALA  HA           41 ALA  MB          2.20    (#    390:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 390, nxpk= 20, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 622, 623, 624,
 &end
#
#   30 PRO  HD+          31 ALA  MB          6.00    (#    392:20  Unique         4.55, 6.33 A)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 451, 452,
 igr2= 468, 469, 470,
 &end
#
#   31 ALA  HA           31 ALA  MB          2.20    (#    393:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 393, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 468, 469, 470,
 &end
#
#   24 ALA  HA           24 ALA  MB          2.20    (#    394:20  Unique         2.45, 2.66 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 368, 369, 370,
 &end
#
#   32 ALA  HA           32 ALA  MB          2.20    (#    395:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 395, nxpk= 20, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 478, 479, 480,
 &end
#
#    0 AMB  20-2:396      0 AMB  20-1:396    2.20    (#    396:20  Double Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 630, 525,
 igr2= 634, 635, 636, 529, 530, 531,
 &end
#
#    5 PRO  HB-          35 ILE  MD1         3.50    (#    397:20  Unique         2.35, 3.67 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  69,  70,
 igr2= 536, 537, 538,
 &end
#
#   35 ILE  HB           35 ILE  MD1         2.20    (#    398:20  Unique         2.34, 3.04 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 536, 537, 538,
 &end
#
#   35 ILE  HG1-         35 ILE  MD1         2.20    (#    399:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 533, 534,
 igr2= 536, 537, 538,
 &end
#
#    8 ARG  HG-          35 ILE  MD1         6.00    (#    400:20  Unique         4.63, 6.06 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 126, 127,
 igr2= 536, 537, 538,
 &end
#
#   35 ILE  HG1+         35 ILE  MD1         2.20    (#    401:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 533, 534,
 igr2= 536, 537, 538,
 &end
#
#   35 ILE  MG2          35 ILE  MD1         2.20    (#    402:20  Unique         2.25, 3.78 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr1= 529, 530, 531,
 igr2= 536, 537, 538,
 &end
#
#    5 PRO  HB+          35 ILE  MD1         6.00    (#    403:20  Unique         2.35, 3.67 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  69,  70,
 igr2= 536, 537, 538,
 &end
#
#    5 PRO  HG+          35 ILE  MD1         3.50    (#    404:20  Unique         2.55, 3.64 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  66,  67,
 igr2= 536, 537, 538,
 &end
#
#   15 THR  MG2          35 ILE  MD1         3.50    (#    405:20  Unique         3.15, 5.32 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 228, 229, 230,
 igr2= 536, 537, 538,
 &end
#
#   42 ILE  HB           42 ILE  MD1         6.00    (#    406:20  Unique         2.50, 3.36 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 641, 642, 643,
 &end
#
#   42 ILE  HG1-         42 ILE  MD1         2.80    (#    407:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 638, 639,
 igr2= 641, 642, 643,
 &end
#
#   42 ILE  HG1+         42 ILE  MD1         2.80    (#    409:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 638, 639,
 igr2= 641, 642, 643,
 &end
#
#   22 GLN  HA           23 PRO  HD+         3.50    (#    410:20  Unique         2.09, 2.38 A)
 &rst
  ixpk= 410, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 351, 352,
 &end
#
#   34 LEU  MDX          34 LEU  HB+         2.80    (#    411:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2= 508, 509,
 &end
#
#   34 LEU  MDY          34 LEU  HB+         3.50    (#    412:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2= 508, 509,
 &end
#
#   34 LEU  MDX          34 LEU  HB-         2.80    (#    413:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2= 508, 509,
 &end
#
#   34 LEU  MDY          34 LEU  HB-         3.50    (#    414:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2= 508, 509,
 &end
#
#   43 LEU  MDX          43 LEU  HB-         2.80    (#    415:20  Unique         2.34, 3.35 A)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 656, 657, 658, 660, 661, 662,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:416      0 AMB  20-1:416    2.20    (#    416:20  Double Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
       599, 600,
 igr2= 589, 590, 589, 590,
 &end
#
#   30 PRO  HB-          26 LEU  HB+         6.00    (#    417:20  Unique         2.36, 6.85 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 457, 458,
 igr2= 402, 403,
 &end
#
#   26 LEU  HG           26 LEU  HB+         6.00    (#    418:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 418, nxpk= 20, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#   26 LEU  HG           26 LEU  HB-         6.00    (#    419:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 419, nxpk= 20, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#   42 ILE  HG1-         42 ILE  HB          3.50    (#    420:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 638, 639,
 &end
#
#   42 ILE  HG1+         42 ILE  HB          6.00    (#    421:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:422     42 ILE  HB          2.20    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 634, 635, 636, 641, 642, 643,
 &end
#
#   35 ILE  HG1-         35 ILE  HB          3.50    (#    423:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   35 ILE  HG1+         35 ILE  HB          3.50    (#    424:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   35 ILE  MG2          35 ILE  HB          2.20    (#    425:20  Unique         2.47, 2.68 A)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 529, 530, 531,
 &end
#
#   35 ILE  MD1          35 ILE  HB          3.50    (#    426:20  Unique         2.34, 3.04 A)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 536, 537, 538,
 &end
#
#   44 GLU  HB+          44 GLU  HG+         2.20    (#    427:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 670, 671,
 igr2= 673, 674,
 &end
#
#   44 GLU  HB+          44 GLU  HG-         2.20    (#    428:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 670, 671,
 igr2= 673, 674,
 &end
#
#    0 AMB  20-2:430      0 AMB  20-1:430    2.20    (#    430:20  Double Ambig)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1=  83,  84, 273, 274,
 igr2=  80,  81,  80,  81,
 &end
#
#    6 LYS  HG-           6 LYS  HB+         3.50    (#    431:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    8 ARG  HD+           8 ARG  HB+         6.00    (#    433:20  Unique         2.34, 3.02 A)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 129, 130,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:434      0 AMB  20-1:434    2.80    (#    434:20  Double Ambig)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 228, 229, 230, 126, 127,
 igr2= 123, 124, 123, 124,
 &end
#
#    8 ARG  HG-           8 ARG  HB+         6.00    (#    435:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 126, 127,
 igr2= 123, 124,
 &end
#
#   35 ILE  MD1           8 ARG  HB+         6.00    (#    436:20  Unique         2.25, 3.92 A)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 536, 537, 538,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:437      8 ARG  HB-         2.80    (#    437:20  Single Ambig)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 228, 229, 230, 126, 127,
 igr2= 123, 124,
 &end
#
#   35 ILE  MD1           8 ARG  HB-         6.00    (#    438:20  Unique         2.25, 3.92 A)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 536, 537, 538,
 igr2= 123, 124,
 &end
#
#    8 ARG  HD+           8 ARG  HB-         6.00    (#    439:20  Unique         2.34, 3.02 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 129, 130,
 igr2= 123, 124,
 &end
#
#    8 ARG  HG-           8 ARG  HB-         6.00    (#    440:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 126, 127,
 igr2= 123, 124,
 &end
#
#   36 GLN  HB+          36 GLN  HG+         2.20    (#    441:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 546, 547,
 igr2= 549, 550,
 &end
#
#   35 ILE  MG2          36 GLN  HG+         6.00    (#    442:20  Unique         5.13, 6.42 A)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 529, 530, 531,
 igr2= 549, 550,
 &end
#
#   36 GLN  HB-          36 GLN  HG+         2.20    (#    443:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 546, 547,
 igr2= 549, 550,
 &end
#
#   34 LEU  HB+          36 GLN  HG+         6.00    (#    444:20  Unique         2.43, 5.25 A)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 508, 509,
 igr2= 549, 550,
 &end
#
#   22 GLN  HB+          22 GLN  HG+         2.20    (#    445:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 337, 338,
 igr2= 340, 341,
 &end
#
#    0 AMB  20-2:447     22 GLN  HG-         2.20    (#    447:20  Single Ambig)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 337, 338, 316, 317,
 igr2= 340, 341,
 &end
#
#   14 LYS  HD-          14 LYS  HB+         2.20    (#    448:20  Unique         2.39, 2.84 A)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 210, 211,
 igr2= 204, 205,
 &end
#
#   14 LYS  HD-          14 LYS  HB-         3.50    (#    449:20  Unique         2.39, 2.84 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 210, 211,
 igr2= 204, 205,
 &end
#
#    0 AMB  20-2:450      4 VAL  HB          2.20    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=  52,  53,  54,  56,  57,  58,  52,  53,  54,  56,
        57,  58,
 &end
#
#   10 PRO  HG+          10 PRO  HB+         2.20    (#    451:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 159, 160,
 igr2= 162, 163,
 &end
#
#    5 PRO  HG+           5 PRO  HB+         2.20    (#    452:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    0 AMB  20-2:453      0 AMB  20-1:453    6.00    (#    453:20  Double Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 228, 229, 230,  83,  84,
 igr2=  69,  70,  69,  70,
 &end
#
#   23 PRO  HG-          23 PRO  HB+         3.50    (#    454:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 354, 355,
 igr2= 357, 358,
 &end
#
#    0 AMB  20-2:455      0 AMB  20-1:455    3.50    (#    455:20  Double Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 354, 355, 622, 623, 624,
 igr2= 357, 358, 566, 567,
 &end
#
#    0 AMB  20-2:456      5 PRO  HB-         6.00    (#    456:20  Single Ambig)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 228, 229, 230,  83,  84,
 igr2=  69,  70,
 &end
#
#   35 ILE  MD1           5 PRO  HB-         3.50    (#    457:20  Unique         2.35, 3.67 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 536, 537, 538,
 igr2=  69,  70,
 &end
#
#   23 PRO  HG+          23 PRO  HB-         6.00    (#    458:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 354, 355,
 igr2= 357, 358,
 &end
#
#   23 PRO  HG-          23 PRO  HB-         3.50    (#    459:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 354, 355,
 igr2= 357, 358,
 &end
#
#   30 PRO  HG-          30 PRO  HB+         2.20    (#    460:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 454, 455,
 igr2= 457, 458,
 &end
#
#   30 PRO  HG-          30 PRO  HB-         2.20    (#    461:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 454, 455,
 igr2= 457, 458,
 &end
#
#   26 LEU  HB+          30 PRO  HB-         6.00    (#    462:20  Unique         2.36, 6.85 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 457, 458,
 &end
#
#   19 ARG  HD+          19 ARG  HB+         6.00    (#    464:20  Unique         2.38, 3.17 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 288, 289,
 igr2= 282, 283,
 &end
#
#   19 ARG  HD+          19 ARG  HB-         6.00    (#    465:20  Unique         2.38, 3.17 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 288, 289,
 igr2= 282, 283,
 &end
#
#   19 ARG  HG+          19 ARG  HB-         2.20    (#    466:20  Unique         2.39, 2.70 A)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 285, 286,
 igr2= 282, 283,
 &end
#
#   21 ARG  HD+          21 ARG  HB+         2.80    (#    470:20  Unique         2.48, 3.02 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 319, 320,
 igr2= 313, 314,
 &end
#
#   21 ARG  HG+          21 ARG  HB+         2.20    (#    471:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 316, 317,
 igr2= 313, 314,
 &end
#
#   36 GLN  HG+          36 GLN  HB+         2.20    (#    473:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 549, 550,
 igr2= 546, 547,
 &end
#
#    0 AMB  20-2:474      0 AMB  20-1:474    2.80    (#    474:20  Double Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  89,  90, 335,
 igr2=  86,  87, 337, 338,
 &end
#
#    6 LYS  HG-           6 LYS  HD+         3.50    (#    475:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  83,  84,
 igr2=  86,  87,
 &end
#
#   22 GLN  HG+          22 GLN  HB+         2.20    (#    476:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 340, 341,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:477      0 AMB  20-1:477    2.80    (#    477:20  Double Ambig)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  83,  84, 273, 274,
 igr2=  86,  87,  86,  87,
 &end
#
#   22 GLN  HG+          22 GLN  HB-         2.20    (#    478:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 340, 341,
 igr2= 337, 338,
 &end
#
#   36 GLN  HG+          36 GLN  HB-         2.20    (#    479:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 549, 550,
 igr2= 546, 547,
 &end
#
#    0 AMB  20-2:480      0 AMB  20-1:480    3.50    (#    480:20  Double Ambig)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 213, 214, 335,
 igr2= 210, 211, 337, 338,
 &end
#
#   14 LYS  HE+          14 LYS  HD-         6.00    (#    481:20  Unique         2.32, 2.72 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 213, 214,
 igr2= 210, 211,
 &end
#
#   14 LYS  HB-          14 LYS  HD-         6.00    (#    482:20  Unique         2.39, 2.84 A)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205,
 igr2= 210, 211,
 &end
#
#   35 ILE  MG2          35 ILE  HG1-        3.50    (#    485:20  Unique         2.51, 3.52 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 529, 530, 531,
 igr2= 533, 534,
 &end
#
#   35 ILE  MD1          35 ILE  HG1-        2.20    (#    486:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 536, 537, 538,
 igr2= 533, 534,
 &end
#
#   35 ILE  HB           35 ILE  HG1+        3.50    (#    487:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 533, 534,
 &end
#
#   35 ILE  MG2          35 ILE  HG1+        2.80    (#    488:20  Unique         2.51, 3.52 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 529, 530, 531,
 igr2= 533, 534,
 &end
#
#   35 ILE  MD1          35 ILE  HG1+        2.80    (#    489:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 536, 537, 538,
 igr2= 533, 534,
 &end
#
#    0 AMB  20-2:491     42 ILE  HG1-        2.20    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 634, 635, 636, 641, 642, 643,
 igr2= 638, 639,
 &end
#
#   42 ILE  HB           42 ILE  HG1+        3.50    (#    492:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 492, nxpk= 20, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 638, 639,
 &end
#
#    0 AMB  20-2:493      0 AMB  20-1:493    2.20    (#    493:20  Double Ambig)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 634, 635, 636, 641, 642, 643,
 igr2= 638, 639, 638, 639,
 &end
#
#   10 PRO  HB+          10 PRO  HG+         2.80    (#    494:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 162, 163,
 igr2= 159, 160,
 &end
#
#   10 PRO  HB+          10 PRO  HG-         2.80    (#    495:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 162, 163,
 igr2= 159, 160,
 &end
#
#   15 THR  MG2           5 PRO  HG+         6.00    (#    496:20  Unique         2.75, 4.66 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 228, 229, 230,
 igr2=  66,  67,
 &end
#
#    5 PRO  HB+           5 PRO  HG+         2.20    (#    497:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1=  69,  70,
 igr2=  66,  67,
 &end
#
#   35 ILE  MD1           5 PRO  HG+         6.00    (#    498:20  Unique         2.55, 3.64 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 536, 537, 538,
 igr2=  66,  67,
 &end
#
#   37 PRO  HB+          37 PRO  HG+         2.20    (#    499:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 566, 567,
 igr2= 563, 564,
 &end
#
#   30 PRO  HB-          30 PRO  HG-         2.20    (#    500:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 457, 458,
 igr2= 454, 455,
 &end
#
#   34 LEU  MDX          34 LEU  HG          2.20    (#    501:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  MDY          34 LEU  HG          3.50    (#    502:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#    8 ARG  HD+           8 ARG  HG+         2.80    (#    503:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 129, 130,
 igr2= 126, 127,
 &end
#
#    0 AMB  20-2:504      0 AMB  20-1:504    2.20    (#    504:20  Double Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 123, 124, 340, 341,
 igr2= 126, 127, 354, 355,
 &end
#
#    8 ARG  HD+           8 ARG  HG-         2.80    (#    505:20  Unique         2.37, 2.70 A)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 129, 130,
 igr2= 126, 127,
 &end
#
#    8 ARG  HB+           8 ARG  HG-         2.80    (#    506:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 123, 124,
 igr2= 126, 127,
 &end
#
#   21 ARG  HD+          21 ARG  HG-         3.50    (#    508:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 319, 320,
 igr2= 316, 317,
 &end
#
#   19 ARG  HD+          19 ARG  HG+         2.20    (#    509:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 288, 289,
 igr2= 285, 286,
 &end
#
#   19 ARG  HB+          19 ARG  HG+         2.20    (#    510:20  Unique         2.39, 2.70 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
 igr1= 282, 283,
 igr2= 285, 286,
 &end
#
#   23 PRO  HD+          23 PRO  HG+         3.50    (#    511:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 351, 352,
 igr2= 354, 355,
 &end
#
#   23 PRO  HB+          23 PRO  HG+         3.50    (#    512:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 357, 358,
 igr2= 354, 355,
 &end
#
#   23 PRO  HB-          23 PRO  HG+         6.00    (#    513:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 357, 358,
 igr2= 354, 355,
 &end
#
#   23 PRO  HB+          23 PRO  HG-         6.00    (#    514:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 357, 358,
 igr2= 354, 355,
 &end
#
#   23 PRO  HB-          23 PRO  HG-         3.50    (#    515:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 357, 358,
 igr2= 354, 355,
 &end
#
#    0 AMB  20-2:516     39 LEU  HG          2.80    (#    516:20  Single Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
       599, 600, 656, 657, 658, 660, 661, 662,
 &end
#
#   43 LEU  MDY          43 LEU  HG          2.20    (#    517:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 656, 657, 658, 660, 661, 662,
 &end
#
#   14 LYS  HE+          14 LYS  HG-         6.00    (#    521:20  Unique         2.43, 2.98 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 213, 214,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:522     14 LYS  HG-         2.20    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 210, 211, 204, 205,
 igr2= 207, 208,
 &end
#
#   14 LYS  HB-          14 LYS  HG-         6.00    (#    523:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205,
 igr2= 207, 208,
 &end
#
#   14 LYS  HE+          14 LYS  HG+         6.00    (#    524:20  Unique         2.43, 2.98 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 213, 214,
 igr2= 207, 208,
 &end
#
#    0 AMB  20-2:525      0 AMB  20-1:525    2.20    (#    525:20  Double Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 210, 211, 204, 205,
 igr2= 207, 208, 207, 208,
 &end
#
#   14 LYS  HB-          14 LYS  HG+         6.00    (#    526:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205,
 igr2= 207, 208,
 &end
#
#    6 LYS  HE+           6 LYS  HG+         6.00    (#    527:20  Unique         2.44, 3.05 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  89,  90,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:528      0 AMB  20-1:528    2.20    (#    528:20  Double Ambig)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1=  86,  87,  80,  81,
 igr2=  83,  84,  83,  84,
 &end
#
#    6 LYS  HE+           6 LYS  HG-         6.00    (#    529:20  Unique         2.44, 3.05 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  89,  90,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:530      0 AMB  20-1:530    2.20    (#    530:20  Double Ambig)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 589, 590, 511, 651, 652,
 igr2= 594, 595, 596, 598, 599, 600,  83,  84,
 &end
#
#    0 AMB  20-2:531     43 LEU  MDX         2.20    (#    531:20  Single Ambig)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 651, 652, 654, 589, 590,
 igr2= 656, 657, 658, 660, 661, 662,
 &end
#
#   43 LEU  HB-          43 LEU  MDX         2.20    (#    532:20  Unique         2.34, 3.35 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 651, 652,
 igr2= 656, 657, 658, 660, 661, 662,
 &end
#
#    0 AMB  20-2:534     34 LEU  MDX         2.20    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 511, 527,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#    0 AMB  20-2:536     43 LEU  MDX         2.20    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 651, 652, 654, 589, 590,
 igr2= 656, 657, 658, 660, 661, 662,
 &end
#
#    6 LYS  HE+          34 LEU  MDY         6.00    (#    537:20  Unique         2.60, 4.99 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  89,  90,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#    0 AMB  20-2:538     34 LEU  MDY         2.20    (#    538:20  Single Ambig)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 511, 527,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#    0 AMB  20-2:544     39 LEU  MDY         2.20    (#    544:20  Single Ambig)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 589, 590, 651, 652,
 igr2= 594, 595, 596, 598, 599, 600,
 &end
#
#   43 LEU  HB-          43 LEU  MDY         3.50    (#    545:20  Unique         2.34, 3.35 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 651, 652,
 igr2= 656, 657, 658, 660, 661, 662,
 &end
#
#    8 ARG  HD+          15 THR  MG2         3.50    (#    546:20  Unique         2.66, 3.97 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 129, 130,
 igr2= 228, 229, 230,
 &end
#
#    5 PRO  HB+          15 THR  MG2         6.00    (#    547:20  Unique         3.38, 4.37 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  69,  70,
 igr2= 228, 229, 230,
 &end
#
#    5 PRO  HG+          15 THR  MG2         3.50    (#    548:20  Unique         2.75, 4.66 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  66,  67,
 igr2= 228, 229, 230,
 &end
#
#    5 PRO  HB-          15 THR  MG2         6.00    (#    549:20  Unique         3.38, 4.37 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  69,  70,
 igr2= 228, 229, 230,
 &end
#
#    8 ARG  HB-          15 THR  MG2         2.80    (#    550:20  Unique         2.34, 4.16 A)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 123, 124,
 igr2= 228, 229, 230,
 &end
#
#   35 ILE  MD1          15 THR  MG2         6.00    (#    551:20  Unique         3.15, 5.32 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 536, 537, 538,
 igr2= 228, 229, 230,
 &end
#
#   11 ALA  MB           12 THR  MG2         2.80    (#    553:20  Unique         2.76, 4.47 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 173, 174, 175,
 igr2= 185, 186, 187,
 &end
#
#    4 VAL  HB            4 VAL  MGX         2.20    (#    554:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   34 LEU  MDX          31 ALA  MB          3.50    (#    555:20  Unique         3.79, 6.70 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2= 468, 469, 470,
 &end
#
#   29 ASP  HB+          32 ALA  MB          6.00    (#    556:20  Unique         2.59, 4.93 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 442, 443,
 igr2= 478, 479, 480,
 &end
#
#   42 ILE  HB           42 ILE  MG2         2.20    (#    558:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 634, 635, 636,
 &end
#
#   42 ILE  HG1+         42 ILE  MG2         2.80    (#    559:20  Unique         2.35, 3.31 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 638, 639,
 igr2= 634, 635, 636,
 &end
#
#   35 ILE  HB           35 ILE  MG2         2.20    (#    560:20  Unique         2.47, 2.68 A)
 &rst
  ixpk= 560, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr2= 529, 530, 531,
 &end
#
#   42 ILE  HG1-         42 ILE  MG2         2.20    (#    561:20  Unique         2.35, 3.31 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr1= 638, 639,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  20-2:562      5 PRO  HA          6.00    (#    562:20  Single Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 264, 265,  63,  64,
 &end
#
#    5 PRO  HD+           4 VAL  HA          2.20    (#    563:20  Unique         2.13, 2.46 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1=  63,  64,
 &end
#
#    5 PRO  HD-           4 VAL  HA          2.20    (#    564:20  Unique         2.13, 2.46 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1=  63,  64,
 &end
#
#   17 SER  HB-          17 SER  HA          2.20    (#    565:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 264, 265,
 &end
#
#    5 PRO  HA           17 SER  HA          2.80    (#    566:20  Unique         2.50, 2.74 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  72, 262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 TRP  HB+          25 TRP  HA          2.20    (#    567:20  Unique         2.31, 2.43 A)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 378, 379,
 &end
#
#   25 TRP  HB-          25 TRP  HA          2.20    (#    568:20  Unique         2.31, 2.43 A)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 378, 379,
 &end
#
#    7 TYR  HA           34 LEU  HA          3.50    (#    569:20  Unique         2.20, 2.40 A)
 &rst
  ixpk= 569, nxpk= 20, iat= 100, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 VAL  HA            5 PRO  HD+         2.20    (#    571:20  Unique         2.13, 2.46 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2=  63,  64,
 &end
#
#   36 GLN  HA           37 PRO  HD+         2.20    (#    573:20  Unique         2.06, 2.47 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 560, 561,
 &end
#
#    0 AMB  20-2:574      0 AMB  20-1:574    2.20    (#    574:20  Double Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  48, 569,
 igr2=  63,  64, 560, 561,
 &end
#
#   39 LEU  HA           40 PRO  HD+         2.20    (#    576:20  Unique         2.12, 2.47 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 605, 606,
 &end
#
#   36 GLN  HA           37 PRO  HD-         2.20    (#    577:20  Unique         2.06, 2.47 A)
 &rst
  ixpk= 577, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 560, 561,
 &end
#
#   39 LEU  HA           40 PRO  HD-         2.20    (#    578:20  Unique         2.12, 2.47 A)
 &rst
  ixpk= 578, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 605, 606,
 &end
#
#   40 PRO  HA           40 PRO  HD-         6.00    (#    579:20  Unique         3.47, 3.78 A)
 &rst
  ixpk= 579, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 605, 606,
 &end
#
#   29 ASP  HA           30 PRO  HD+         2.20    (#    581:20  Unique         2.22, 2.43 A)
 &rst
  ixpk= 581, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 451, 452,
 &end
#
#   29 ASP  HA           30 PRO  HD-         2.20    (#    582:20  Unique         2.22, 2.43 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 451, 452,
 &end
#
#   19 ARG  HA           19 ARG  HD+         6.00    (#    583:20  Unique         2.18, 3.91 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 288, 289,
 &end
#
#    7 TYR  HA            7 TYR  HB+         6.00    (#    584:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 584, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    7 TYR  HA            7 TYR  HB-         6.00    (#    585:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   33 PHE  HA           33 PHE  HB+         6.00    (#    586:20  Unique         2.19, 2.46 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   33 PHE  HA           33 PHE  HB-         6.00    (#    587:20  Unique         2.19, 2.46 A)
 &rst
  ixpk= 587, nxpk= 20, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   16 TRP  HA           16 TRP  HB+         3.50    (#    588:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 240, 241,
 &end
#
#   16 TRP  HA           16 TRP  HB-         6.00    (#    589:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#   25 TRP  HA           25 TRP  HB+         2.20    (#    594:20  Unique         2.31, 2.43 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 378, 379,
 &end
#
#   25 TRP  HA           25 TRP  HB-         2.20    (#    595:20  Unique         2.31, 2.43 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 378, 379,
 &end
#
#   15 THR  HA           15 THR  HB          3.50    (#    596:20  Unique         2.40, 2.52 A)
 &rst
  ixpk= 596, nxpk= 20, iat= 224, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HA           12 THR  HB          2.20    (#    597:20  Unique         2.31, 2.32 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 181, 183, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   14 LYS  HE+          12 THR  HB          6.00    (#    598:20  Unique         3.04, 4.39 A)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 213, 214,
 &end
#
#    3 THR  HA            3 THR  HB          2.20    (#    599:20  Unique         2.29, 2.31 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   10 PRO  HB+          10 PRO  HA          2.20    (#    600:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 162, 163,
 &end
#
#   38 ASP  HB-          38 ASP  HA          6.00    (#    601:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 577, 578,
 &end
#
#   38 ASP  HB+          38 ASP  HA          3.50    (#    602:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 577, 578,
 &end
#
#    8 ARG  HD+          35 ILE  MD1         6.00    (#    603:20  Unique         3.72, 5.30 A)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 129, 130,
 igr2= 536, 537, 538,
 &end
#
#   35 ILE  HN           35 ILE  MD1         6.00    (#    604:20  Unique         3.72, 4.40 A)
 &rst
  ixpk= 604, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 536, 537, 538,
 &end
#
#   26 LEU  MDX          30 PRO  HA          6.00    (#    605:20  Unique         2.30, 4.54 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 407, 408, 409, 411, 412, 413,
 &end
#
#   33 PHE  HN           30 PRO  HA          6.00    (#    607:20  Unique         3.82, 4.11 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 484, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLY  HN           10 PRO  HA          6.00    (#    608:20  Unique         3.80, 3.96 A)
 &rst
  ixpk= 608, nxpk= 20, iat= 193, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 PRO  HD-           5 PRO  HA          6.00    (#    609:20  Unique         3.43, 3.81 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  72, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  63,  64,
 &end
#
#   36 GLN  HN           35 ILE  MG2         6.00    (#    610:20  Unique         2.85, 3.61 A)
 &rst
  ixpk= 610, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 529, 530, 531,
 &end
#
#    0 AMB  20-2:611      0 AMB  20-1:611    6.00    (#    611:20  Double Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 666, 523,
 igr2= 634, 635, 636, 529, 530, 531,
 &end
#
#   26 LEU  HG           26 LEU  MDX         6.00    (#    612:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HB-          26 LEU  MDX         6.00    (#    613:20  Unique         2.30, 3.37 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 402, 403,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HB+          26 LEU  MDX         6.00    (#    614:20  Unique         2.30, 3.37 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 402, 403,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:615     26 LEU  MDX         6.00    (#    615:20  Single Ambig)
 &rst
  ixpk= 615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 337, 338, 340, 341, 351, 352,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   30 PRO  HB-          26 LEU  MDX         6.00    (#    616:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 457, 458,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:617     26 LEU  MDX         3.50    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 102, 103, 240, 241, 488, 489,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HA           26 LEU  MDX         6.00    (#    618:20  Unique         2.14, 3.71 A)
 &rst
  ixpk= 618, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:619     26 LEU  MDX         6.00    (#    619:20  Single Ambig)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 419, 420, 488, 489, 451, 452,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   30 PRO  HA           26 LEU  MDX         6.00    (#    620:20  Unique         2.30, 4.54 A)
 &rst
  ixpk= 620, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   25 TRP  HZ3          26 LEU  MDX         6.00    (#    621:20  Unique         2.58, 4.74 A)
 &rst
  ixpk= 621, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   33 PHE  HE           26 LEU  MDX         6.00    (#    622:20  Unique         2.19, 5.55 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 494, 498,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   25 TRP  HH2          26 LEU  MDX         6.00    (#    623:20  Unique         2.99, 5.46 A)
 &rst
  ixpk= 623, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:624     26 LEU  MDX         6.00    (#    624:20  Single Ambig)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 496, 253, 108, 113,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:625     26 LEU  MDX         6.00    (#    625:20  Single Ambig)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 255, 106, 115, 492, 500,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   25 TRP  HE3          26 LEU  MDX         6.00    (#    626:20  Unique         3.06, 5.32 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HG           26 LEU  MDY         6.00    (#    627:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 627, nxpk= 20, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HB-          26 LEU  MDY         6.00    (#    628:20  Unique         2.30, 3.37 A)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 402, 403,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HB+          26 LEU  MDY         6.00    (#    629:20  Unique         2.30, 3.37 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 402, 403,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:630     26 LEU  MDY         3.50    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 337, 338, 340, 341, 351, 352,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   22 GLN  HG+          26 LEU  MDY         6.00    (#    631:20  Unique         2.25, 5.33 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 340, 341,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   30 PRO  HB-          26 LEU  MDY         6.00    (#    632:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 457, 458,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:633     26 LEU  MDY         3.50    (#    633:20  Single Ambig)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 102, 103, 240, 241, 488, 489,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HA           26 LEU  MDY         6.00    (#    634:20  Unique         2.14, 3.71 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:635     26 LEU  MDY         6.00    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 488, 489, 451, 452,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   30 PRO  HA           26 LEU  MDY         6.00    (#    636:20  Unique         2.30, 4.54 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HN           26 LEU  MDY         6.00    (#    637:20  Unique         2.34, 4.95 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   33 PHE  HE           26 LEU  MDY         6.00    (#    638:20  Unique         2.19, 5.55 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 494, 498,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:639     26 LEU  MDY         6.00    (#    639:20  Single Ambig)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 496, 253, 108, 113,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  20-2:640     26 LEU  MDY         6.00    (#    640:20  Single Ambig)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 255, 106, 115, 492, 500,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#   25 TRP  HE3          26 LEU  MDY         6.00    (#    641:20  Unique         3.06, 5.32 A)
 &rst
  ixpk= 641, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 407, 408, 409, 411, 412, 413,
 &end
#
#    2 SER  HB+           2 SER  HA          6.00    (#    642:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  25,  26,
 &end
#
#    2 SER  HA            2 SER  HB+         6.00    (#    643:20  Unique         2.41, 2.69 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  25,  26,
 &end
#
#    3 THR  HB            3 THR  HA          2.20    (#    644:20  Unique         2.29, 2.31 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  36,  34, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#    8 ARG  HA           15 THR  HA          3.50    (#    645:20  Unique         2.28, 2.35 A)
 &rst
  ixpk= 645, nxpk= 20, iat= 121, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 THR  HB           15 THR  HA          6.00    (#    646:20  Unique         2.40, 2.52 A)
 &rst
  ixpk= 646, nxpk= 20, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 THR  MG2          15 THR  HA          3.50    (#    647:20  Unique         2.44, 3.05 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 228, 229, 230,
 &end
#
#   16 TRP  HN           15 THR  HA          6.00    (#    648:20  Unique         2.24, 2.26 A)
 &rst
  ixpk= 648, nxpk= 20, iat= 236, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 VAL  HB            4 VAL  MGY         2.20    (#    649:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 649, nxpk= 20, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   25 TRP  HE1          23 PRO  HB+         6.00    (#    650:20  Unique         2.58, 3.07 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 357, 358,
 &end
#
#    6 LYS  HN            5 PRO  HB-         6.00    (#    651:20  Unique         2.57, 3.05 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#    6 LYS  HN            5 PRO  HB+         6.00    (#    652:20  Unique         2.57, 3.05 A)
 &rst
  ixpk= 652, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#   10 PRO  HB+          10 PRO  HD+         6.00    (#    653:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 162, 163,
 igr2= 156, 157,
 &end
#
#   10 PRO  HB+          10 PRO  HD-         6.00    (#    654:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 162, 163,
 igr2= 156, 157,
 &end
#
#    0 AMB  20-2:655     10 PRO  HD-         6.00    (#    655:20  Single Ambig)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 147, 148, 173, 174, 175,
 igr2= 156, 157,
 &end
#
#   11 ALA  MB           10 PRO  HD+         6.00    (#    656:20  Unique         4.29, 5.82 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 173, 174, 175,
 igr2= 156, 157,
 &end
#
#    0 AMB  20-2:657      0 AMB  20-1:657    6.00    (#    657:20  Double Ambig)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 536, 537, 538, 354, 355,
 igr2=  80,  81,  80,  81,
 &end
#
#   34 LEU  MDX           6 LYS  HB+         6.00    (#    658:20  Unique         3.25, 6.50 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2=  80,  81,
 &end
#
#    6 LYS  HE+           6 LYS  HB+         6.00    (#    659:20  Unique         2.16, 4.29 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  89,  90,
 igr2=  80,  81,
 &end
#
#   16 TRP  HH2           6 LYS  HB+         6.00    (#    660:20  Unique         6.34, 7.02 A)
 &rst
  ixpk= 660, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#    0 AMB  20-2:661      6 LYS  HG-         2.20    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  86,  87,  80,  81,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:662      0 AMB  20-1:662    6.00    (#    662:20  Double Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 183, 202,
 igr2= 210, 211, 210, 211,
 &end
#
#    0 AMB  20-2:663     14 LYS  HD-         6.00    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 183, 202,
 igr2= 210, 211,
 &end
#
#    0 AMB  20-2:664     22 GLN  HB-         6.00    (#    664:20  Single Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 249, 345, 346,
 igr2= 337, 338,
 &end
#
#   14 LYS  HB-          14 LYS  HE+         6.00    (#    665:20  Unique         2.26, 4.50 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205,
 igr2= 213, 214,
 &end
#
#    7 TYR  HB+           7 TYR  HA          3.50    (#    666:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 &end
#
#   16 TRP  HB+          16 TRP  HA          3.50    (#    667:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 241,
 &end
#
#    0 AMB  20-2:668     16 TRP  HA          6.00    (#    668:20  Single Ambig)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 240, 241, 288, 289,
 &end
#
#   35 ILE  HG1-          7 TYR  HA          6.00    (#    669:20  Unique         2.41, 3.32 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#    0 AMB  20-2:670      7 TYR  HA          6.00    (#    670:20  Single Ambig)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 511, 527, 123, 124, 508, 509,
 &end
#
#    0 AMB  20-2:671      7 TYR  HA          6.00    (#    671:20  Single Ambig)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 106, 115, 492, 500,
 &end
#
#   35 ILE  HN            7 TYR  HA          6.00    (#    672:20  Unique         2.43, 2.65 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 523, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 TRP  HD1          16 TRP  HA          3.50    (#    673:20  Unique         2.56, 2.67 A)
 &rst
  ixpk= 673, nxpk= 20, iat= 244, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 TRP  HN           16 TRP  HA          6.00    (#    674:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 236, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 ARG  HN            7 TYR  HA          6.00    (#    675:20  Unique         2.23, 2.26 A)
 &rst
  ixpk= 675, nxpk= 20, iat= 119, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  MDX           7 TYR  HB+         6.00    (#    676:20  Unique         2.31, 4.60 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 102, 103,
 &end
#
#   26 LEU  MDX           7 TYR  HB-         6.00    (#    677:20  Unique         2.31, 4.60 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 102, 103,
 &end
#
#   25 TRP  HH2           7 TYR  HB+         6.00    (#    678:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 678, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   25 TRP  HH2           7 TYR  HB-         6.00    (#    679:20  Unique         2.32, 2.68 A)
 &rst
  ixpk= 679, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    7 TYR  HN            7 TYR  HB-         6.00    (#    680:20  Unique         2.69, 3.28 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   16 TRP  HN            7 TYR  HB-         6.00    (#    681:20  Unique         3.10, 3.91 A)
 &rst
  ixpk= 681, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    8 ARG  HN            7 TYR  HB-         6.00    (#    682:20  Unique         2.77, 3.42 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    8 ARG  HN            7 TYR  HB+         6.00    (#    683:20  Unique         2.77, 3.42 A)
 &rst
  ixpk= 683, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   15 THR  HA            8 ARG  HA          3.50    (#    686:20  Unique         2.28, 2.35 A)
 &rst
  ixpk= 686, nxpk= 20, iat= 224, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ASP  HN            8 ARG  HA          3.50    (#    687:20  Unique         2.08, 2.11 A)
 &rst
  ixpk= 687, nxpk= 20, iat= 143, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ARG  HN            8 ARG  HA          6.00    (#    688:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 688, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 ARG  HB-           8 ARG  HA          3.50    (#    689:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    0 AMB  20-2:690      8 ARG  HA          3.50    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 126, 127, 228, 229, 230,
 &end
#
#    8 ARG  HG-           8 ARG  HA          6.00    (#    691:20  Unique         2.32, 2.79 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 126, 127,
 &end
#
#   35 ILE  HG1+          8 ARG  HB+         6.00    (#    692:20  Unique         2.73, 3.36 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 123, 124,
 &end
#
#   35 ILE  HG1+          8 ARG  HB-         6.00    (#    693:20  Unique         2.73, 3.36 A)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 123, 124,
 &end
#
#    8 ARG  HN            8 ARG  HB+         6.00    (#    694:20  Unique         2.83, 3.11 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 123, 124,
 &end
#
#    8 ARG  HN            8 ARG  HB-         6.00    (#    695:20  Unique         2.83, 3.11 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 123, 124,
 &end
#
#    8 ARG  HA            8 ARG  HG-         6.00    (#    696:20  Unique         2.32, 2.79 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 126, 127,
 &end
#
#    9 ASP  HN            8 ARG  HG-         6.00    (#    697:20  Unique         3.13, 3.37 A)
 &rst
  ixpk= 697, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 126, 127,
 &end
#
#   31 ALA  HA           34 LEU  HB-         6.00    (#    698:20  Unique         2.32, 2.96 A)
 &rst
  ixpk= 698, nxpk= 20, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 508, 509,
 &end
#
#   33 PHE  HE           34 LEU  HB+         6.00    (#    699:20  Unique         4.33, 7.83 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 494, 498,
 igr2= 508, 509,
 &end
#
#   33 PHE  HE           34 LEU  HB-         6.00    (#    700:20  Unique         4.33, 7.83 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 494, 498,
 igr2= 508, 509,
 &end
#
#    0 AMB  20-2:701      0 AMB  20-1:701    6.00    (#    701:20  Double Ambig)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 106, 115, 492, 500,
 igr2= 508, 509, 508, 509,
 &end
#
#    0 AMB  20-2:702     34 LEU  HB-         6.00    (#    702:20  Single Ambig)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 106, 115, 492, 500,
 igr2= 508, 509,
 &end
#
#   35 ILE  HN           34 LEU  HB+         6.00    (#    703:20  Unique         2.89, 4.06 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 508, 509,
 &end
#
#   35 ILE  HN           34 LEU  HB-         6.00    (#    704:20  Unique         2.89, 4.06 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 508, 509,
 &end
#
#   33 PHE  HN           34 LEU  HB+         6.00    (#    705:20  Unique         3.71, 4.52 A)
 &rst
  ixpk= 705, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 508, 509,
 &end
#
#   10 PRO  HD+           9 ASP  HA          2.80    (#    706:20  Unique         2.13, 2.40 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 156, 157,
 &end
#
#   10 PRO  HD-           9 ASP  HA          3.50    (#    707:20  Unique         2.13, 2.40 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 156, 157,
 &end
#
#    9 ASP  HB-           9 ASP  HA          6.00    (#    709:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 147, 148,
 &end
#
#   14 LYS  HB-           9 ASP  HB+         6.00    (#    710:20  Unique         2.33, 3.58 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205,
 igr2= 147, 148,
 &end
#
#    0 AMB  20-2:711      0 AMB  20-1:711    6.00    (#    711:20  Double Ambig)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 207, 208, 228, 229, 230,
 igr2= 147, 148, 147, 148,
 &end
#
#   14 LYS  HN            9 ASP  HB+         6.00    (#    712:20  Unique         2.35, 3.42 A)
 &rst
  ixpk= 712, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 147, 148,
 &end
#
#   13 GLY  HN            9 ASP  HB+         6.00    (#    714:20  Unique         3.07, 4.03 A)
 &rst
  ixpk= 714, nxpk= 20, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 147, 148,
 &end
#
#   14 LYS  HN            9 ASP  HB-         6.00    (#    715:20  Unique         2.35, 3.42 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 147, 148,
 &end
#
#    0 AMB  20-2:716      0 AMB  20-1:716    6.00    (#    716:20  Double Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
 igr1= 656, 657, 658, 660, 661, 662, 594, 595, 596, 598,
       599, 600,
 igr2= 608, 609, 563, 564, 563, 564,
 &end
#
#   36 GLN  HA           37 PRO  HG+         6.00    (#    717:20  Unique         4.21, 4.60 A)
 &rst
  ixpk= 717, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 563, 564,
 &end
#
#   38 ASP  HN           37 PRO  HG+         6.00    (#    718:20  Unique         2.74, 4.64 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 563, 564,
 &end
#
#   36 GLN  HG+          37 PRO  HD+         6.00    (#    719:20  Unique         3.15, 4.61 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550,
 igr2= 560, 561,
 &end
#
#   36 GLN  HG+          37 PRO  HD-         6.00    (#    720:20  Unique         3.15, 4.61 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550,
 igr2= 560, 561,
 &end
#
#   36 GLN  HB+          37 PRO  HD+         3.50    (#    721:20  Unique         2.20, 3.56 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547,
 igr2= 560, 561,
 &end
#
#   36 GLN  HB+          37 PRO  HD-         3.50    (#    722:20  Unique         2.20, 3.56 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 546, 547,
 igr2= 560, 561,
 &end
#
#   11 ALA  HN           11 ALA  HA          3.50    (#    723:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 723, nxpk= 20, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 LEU  HN           38 ASP  HA          3.50    (#    724:20  Unique         2.75, 3.21 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 585, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HN           38 ASP  HA          6.00    (#    725:20  Unique         2.22, 2.55 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  MG2          11 ALA  MB          3.50    (#    727:20  Unique         2.76, 4.47 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 185, 186, 187,
 igr2= 173, 174, 175,
 &end
#
#   11 ALA  MB           12 THR  HA          6.00    (#    728:20  Unique         4.79, 5.24 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 173, 174, 175,
 &end
#
#   13 GLY  HN           12 THR  HA          6.00    (#    729:20  Unique         3.44, 3.48 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 193, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HN           12 THR  HB          6.00    (#    730:20  Unique         3.32, 3.86 A)
 &rst
  ixpk= 730, nxpk= 20, iat= 200, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HE+          12 THR  MG2         6.00    (#    731:20  Unique         3.36, 5.68 A)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 213, 214,
 igr2= 185, 186, 187,
 &end
#
#   11 ALA  HN           12 THR  MG2         6.00    (#    732:20  Unique         4.51, 5.62 A)
 &rst
  ixpk= 732, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 185, 186, 187,
 &end
#
#   13 GLY  HN           12 THR  MG2         6.00    (#    733:20  Unique         4.63, 5.15 A)
 &rst
  ixpk= 733, nxpk= 20, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 185, 186, 187,
 &end
#
#   14 LYS  HN           13 GLY  HA+         6.00    (#    734:20  Unique         3.24, 3.34 A)
 &rst
  ixpk= 734, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 195, 196,
 &end
#
#   14 LYS  HN           13 GLY  HA-         6.00    (#    735:20  Unique         3.24, 3.34 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 195, 196,
 &end
#
#   12 THR  HN           13 GLY  HA-         6.00    (#    738:20  Unique         4.22, 4.64 A)
 &rst
  ixpk= 738, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 195, 196,
 &end
#
#    8 ARG  HG+          13 GLY  HA-         6.00    (#    739:20  Unique         2.98, 4.07 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 126, 127,
 igr2= 195, 196,
 &end
#
#    0 AMB  20-2:740     13 GLY  HA-         6.00    (#    740:20  Single Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 126, 127, 207, 208,
 igr2= 195, 196,
 &end
#
#    0 AMB  20-2:741      0 AMB  20-1:741    6.00    (#    741:20  Double Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 126, 127, 228, 229, 230, 207, 208,
 igr2= 195, 196, 195, 196, 195, 196,
 &end
#
#    8 ARG  HG-          13 GLY  HA+         6.00    (#    742:20  Unique         2.98, 4.07 A)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 126, 127,
 igr2= 195, 196,
 &end
#
#   14 LYS  HG+          14 LYS  HA          3.50    (#    743:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 207, 208,
 &end
#
#   14 LYS  HE+          14 LYS  HA          6.00    (#    744:20  Unique         4.46, 5.18 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 213, 214,
 &end
#
#   14 LYS  HA           14 LYS  HB-         6.00    (#    745:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 745, nxpk= 20, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#   14 LYS  HN           14 LYS  HB-         6.00    (#    746:20  Unique         2.35, 3.00 A)
 &rst
  ixpk= 746, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#   25 TRP  HE1          14 LYS  HB+         6.00    (#    747:20  Unique         2.43, 2.96 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#   14 LYS  HN           14 LYS  HG-         6.00    (#    748:20  Unique         2.19, 2.92 A)
 &rst
  ixpk= 748, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 207, 208,
 &end
#
#   25 TRP  HE1          14 LYS  HD+         6.00    (#    749:20  Unique         2.82, 3.33 A)
 &rst
  ixpk= 749, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 210, 211,
 &end
#
#   12 THR  MG2          14 LYS  HE+         6.00    (#    750:20  Unique         3.36, 5.68 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 185, 186, 187,
 igr2= 213, 214,
 &end
#
#   14 LYS  HD-          14 LYS  HE+         6.00    (#    751:20  Unique         2.32, 2.72 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 210, 211,
 igr2= 213, 214,
 &end
#
#   14 LYS  HG+          14 LYS  HE+         6.00    (#    752:20  Unique         2.43, 2.98 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 207, 208,
 igr2= 213, 214,
 &end
#
#   14 LYS  HN           14 LYS  HE+         6.00    (#    753:20  Unique         4.47, 5.17 A)
 &rst
  ixpk= 753, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 213, 214,
 &end
#
#    8 ARG  HB-          15 THR  HA          6.00    (#    754:20  Unique         3.56, 4.42 A)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 124,
 &end
#
#    8 ARG  HG-          15 THR  HA          6.00    (#    755:20  Unique         3.15, 4.24 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 126, 127,
 &end
#
#   25 TRP  HH2          15 THR  HA          6.00    (#    756:20  Unique         2.70, 2.99 A)
 &rst
  ixpk= 756, nxpk= 20, iat= 389, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HZ2          15 THR  HA          6.00    (#    757:20  Unique         2.99, 3.20 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 387, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 THR  HN           15 THR  HA          6.00    (#    758:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  MD1          15 THR  HB          6.00    (#    759:20  Unique         4.05, 5.24 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 536, 537, 538,
 &end
#
#    0 AMB  20-2:760     15 THR  HB          6.00    (#    760:20  Single Ambig)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 124, 123, 124,
 &end
#
#    0 AMB  20-2:761     15 THR  HB          6.00    (#    761:20  Single Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 533, 534, 204, 205, 210, 211,
 &end
#
#    0 AMB  20-2:762     15 THR  HB          6.00    (#    762:20  Single Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 129, 130, 240, 241, 102, 103,
 &end
#
#    8 ARG  HA           15 THR  HB          6.00    (#    763:20  Unique         4.11, 4.33 A)
 &rst
  ixpk= 763, nxpk= 20, iat= 121, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 THR  HN           15 THR  HB          6.00    (#    764:20  Unique         3.72, 3.78 A)
 &rst
  ixpk= 764, nxpk= 20, iat= 222, 226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HH2          16 TRP  HB+         6.00    (#    766:20  Unique         2.69, 3.38 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#   25 TRP  HH2          16 TRP  HB-         6.00    (#    767:20  Unique         2.69, 3.38 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#   16 TRP  HD1          16 TRP  HB+         6.00    (#    768:20  Unique         2.81, 3.41 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#   16 TRP  HN           16 TRP  HB+         6.00    (#    769:20  Unique         2.87, 3.15 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#   16 TRP  HN           16 TRP  HB-         6.00    (#    770:20  Unique         2.87, 3.15 A)
 &rst
  ixpk= 770, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 240, 241,
 &end
#
#   23 PRO  HG-          16 TRP  HB+         6.00    (#    771:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 354, 355,
 igr2= 240, 241,
 &end
#
#   23 PRO  HG-          16 TRP  HB-         6.00    (#    772:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 354, 355,
 igr2= 240, 241,
 &end
#
#   23 PRO  HG+          16 TRP  HB-         6.00    (#    773:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 354, 355,
 igr2= 240, 241,
 &end
#
#   23 PRO  HG+          16 TRP  HB+         6.00    (#    774:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 354, 355,
 igr2= 240, 241,
 &end
#
#   26 LEU  MDY          16 TRP  HB+         6.00    (#    775:20  Unique         2.38, 5.48 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 240, 241,
 &end
#
#    7 TYR  HN           17 SER  HA          6.00    (#    777:20  Unique         3.43, 3.49 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  98, 262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 PRO  HB+          17 SER  HA          6.00    (#    778:20  Unique         4.25, 4.55 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  69,  70,
 &end
#
#    6 LYS  HG+          17 SER  HA          6.00    (#    779:20  Unique         2.49, 4.69 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#    6 LYS  HG-          17 SER  HA          6.00    (#    780:20  Unique         2.49, 4.69 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#    5 PRO  HB-          17 SER  HA          6.00    (#    781:20  Unique         4.25, 4.55 A)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  69,  70,
 &end
#
#    3 THR  MG2          17 SER  HB-         6.00    (#    782:20  Unique         3.39, 6.63 A)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  38,  39,  40,
 igr2= 264, 265,
 &end
#
#    0 AMB  20-2:783     17 SER  HB-         6.00    (#    783:20  Single Ambig)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 285, 286,  80,  81,
 igr2= 264, 265,
 &end
#
#    0 AMB  20-2:784      0 AMB  20-1:784    6.00    (#    784:20  Double Ambig)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 285, 286,  80,  81,
 igr2= 264, 265, 264, 265,
 &end
#
#   17 SER  HA           17 SER  HB-         2.80    (#    785:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 785, nxpk= 20, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 264, 265,
 &end
#
#   17 SER  HA           17 SER  HB+         3.50    (#    786:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 786, nxpk= 20, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 264, 265,
 &end
#
#    0 AMB  20-2:788      0 AMB  20-1:788    6.00    (#    788:20  Double Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 106, 115, 255,
 igr2= 273, 274, 273, 274,
 &end
#
#   19 ARG  HN           18 GLY  HA+         6.00    (#    789:20  Unique         2.89, 3.31 A)
 &rst
  ixpk= 789, nxpk= 20, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 273, 274,
 &end
#
#   19 ARG  HD+          19 ARG  HA          6.00    (#    790:20  Unique         2.18, 3.91 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 288, 289,
 &end
#
#   20 GLY  HA-          19 ARG  HA          6.00    (#    791:20  Unique         4.31, 4.51 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 304, 305,
 &end
#
#   19 ARG  HN           19 ARG  HA          6.00    (#    792:20  Unique         2.87, 2.96 A)
 &rst
  ixpk= 792, nxpk= 20, iat= 278, 280, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HN           19 ARG  HB+         6.00    (#    793:20  Unique         2.45, 3.10 A)
 &rst
  ixpk= 793, nxpk= 20, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#   20 GLY  HN           19 ARG  HB+         6.00    (#    794:20  Unique         2.35, 3.63 A)
 &rst
  ixpk= 794, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 282, 283,
 &end
#
#   19 ARG  HN           19 ARG  HD+         6.00    (#    795:20  Unique         3.59, 4.98 A)
 &rst
  ixpk= 795, nxpk= 20, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 288, 289,
 &end
#
#    0 AMB  20-2:797      0 AMB  20-1:797    6.00    (#    797:20  Double Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 309, 333, 143,
 igr2= 319, 320, 319, 320, 288, 289, 129, 130,
 &end
#
#   35 ILE  MD1           8 ARG  HD+         6.00    (#    798:20  Unique         3.72, 5.30 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 536, 537, 538,
 igr2= 129, 130,
 &end
#
#   35 ILE  MD1           8 ARG  HD-         6.00    (#    799:20  Unique         3.72, 5.30 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 536, 537, 538,
 igr2= 129, 130,
 &end
#
#   35 ILE  MG2           8 ARG  HD+         6.00    (#    800:20  Unique         5.04, 7.00 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 529, 530, 531,
 igr2= 129, 130,
 &end
#
#   35 ILE  MG2           8 ARG  HD-         6.00    (#    801:20  Unique         5.04, 7.00 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 529, 530, 531,
 igr2= 129, 130,
 &end
#
#   35 ILE  HG1+          8 ARG  HD+         6.00    (#    802:20  Unique         3.78, 5.33 A)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 129, 130,
 &end
#
#   35 ILE  HG1+          8 ARG  HD-         6.00    (#    803:20  Unique         3.78, 5.33 A)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 129, 130,
 &end
#
#   19 ARG  HA           20 GLY  HA-         6.00    (#    805:20  Unique         4.31, 4.51 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 304, 305,
 &end
#
#   19 ARG  HA           20 GLY  HA+         6.00    (#    806:20  Unique         4.31, 4.51 A)
 &rst
  ixpk= 806, nxpk= 20, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 304, 305,
 &end
#
#    0 AMB  20-2:807      0 AMB  20-1:807    6.00    (#    807:20  Double Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 288, 289, 319, 320,
 igr2= 304, 305, 304, 305,
 &end
#
#    0 AMB  20-2:808      0 AMB  20-1:808    6.00    (#    808:20  Double Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 282, 283, 313, 314,
 igr2= 304, 305, 304, 305,
 &end
#
#    0 AMB  20-2:809     20 GLY  HA-         6.00    (#    809:20  Single Ambig)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 282, 283, 313, 314,
 igr2= 304, 305,
 &end
#
#   22 GLN  HA           21 ARG  HA          6.00    (#    810:20  Unique         4.35, 4.40 A)
 &rst
  ixpk= 810, nxpk= 20, iat= 335, 311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 ARG  HD+          21 ARG  HA          6.00    (#    811:20  Unique         4.24, 4.56 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 319, 320,
 &end
#
#    7 TYR  HB+          34 LEU  HA          6.00    (#    812:20  Unique         3.30, 4.19 A)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#   21 ARG  HD+          21 ARG  HG+         3.50    (#    813:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 319, 320,
 igr2= 316, 317,
 &end
#
#   22 GLN  HA           22 GLN  HG+         6.00    (#    814:20  Unique         2.39, 3.14 A)
 &rst
  ixpk= 814, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 340, 341,
 &end
#
#   22 GLN  HA           22 GLN  HG-         6.00    (#    815:20  Unique         2.39, 3.14 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 340, 341,
 &end
#
#   22 GLN  HE2-         22 GLN  HG+         6.00    (#    816:20  Unique         2.24, 3.26 A)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 345, 346,
 igr2= 340, 341,
 &end
#
#   16 TRP  HH2          22 GLN  HG-         6.00    (#    817:20  Unique         2.95, 4.74 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 340, 341,
 &end
#
#    0 AMB  20-2:818     22 GLN  HG-         6.00    (#    818:20  Single Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 345, 346, 249,
 igr2= 340, 341,
 &end
#
#   22 GLN  HN           22 GLN  HG+         6.00    (#    819:20  Unique         2.18, 3.34 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 340, 341,
 &end
#
#   22 GLN  HN           22 GLN  HG-         6.00    (#    820:20  Unique         2.18, 3.34 A)
 &rst
  ixpk= 820, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 340, 341,
 &end
#
#   26 LEU  HB-          22 GLN  HG+         6.00    (#    821:20  Unique         2.41, 4.47 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 340, 341,
 &end
#
#   26 LEU  HB-          22 GLN  HG-         6.00    (#    822:20  Unique         2.41, 4.47 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 340, 341,
 &end
#
#   26 LEU  MDY          22 GLN  HG-         6.00    (#    823:20  Unique         2.25, 5.33 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 340, 341,
 &end
#
#   26 LEU  MDY          22 GLN  HG+         6.00    (#    824:20  Unique         2.25, 5.33 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 340, 341,
 &end
#
#   36 GLN  HE2-         36 GLN  HG+         6.00    (#    825:20  Unique         2.26, 3.34 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 554, 555,
 igr2= 549, 550,
 &end
#
#   43 LEU  MDX          43 LEU  HB+         2.80    (#    838:20  Unique         2.34, 3.35 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 656, 657, 658, 660, 661, 662,
 igr2= 651, 652,
 &end
#
#   30 PRO  HG+          30 PRO  HA          6.00    (#    843:20  Unique         2.74, 3.35 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 454, 455,
 &end
#
#    0 AMB  20-2:844     30 PRO  HA          6.00    (#    844:20  Single Ambig)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 468, 469, 470, 337, 338,
 &end
#
#   26 LEU  HG           30 PRO  HA          6.00    (#    845:20  Unique         2.55, 4.06 A)
 &rst
  ixpk= 845, nxpk= 20, iat= 405, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 PRO  HD-          30 PRO  HB-         6.00    (#    846:20  Unique         2.80, 3.69 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 457, 458,
 &end
#
#   26 LEU  HB+          30 PRO  HB+         6.00    (#    847:20  Unique         2.36, 6.85 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 457, 458,
 &end
#
#   26 LEU  MDX          30 PRO  HB+         6.00    (#    848:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 457, 458,
 &end
#
#   26 LEU  MDX          30 PRO  HB-         6.00    (#    849:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 457, 458,
 &end
#
#   26 LEU  MDY          30 PRO  HB+         6.00    (#    850:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 457, 458,
 &end
#
#   26 LEU  MDY          30 PRO  HB-         6.00    (#    851:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 457, 458,
 &end
#
#   26 LEU  HG           30 PRO  HB+         6.00    (#    852:20  Unique         2.36, 5.04 A)
 &rst
  ixpk= 852, nxpk= 20, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 457, 458,
 &end
#
#   26 LEU  HB-          30 PRO  HB+         6.00    (#    853:20  Unique         2.36, 6.85 A)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 457, 458,
 &end
#
#   26 LEU  HB-          30 PRO  HB-         6.00    (#    854:20  Unique         2.36, 6.85 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 457, 458,
 &end
#
#   31 ALA  HN           30 PRO  HB+         6.00    (#    855:20  Unique         2.66, 3.55 A)
 &rst
  ixpk= 855, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 457, 458,
 &end
#
#   31 ALA  HN           30 PRO  HB-         6.00    (#    856:20  Unique         2.66, 3.55 A)
 &rst
  ixpk= 856, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 457, 458,
 &end
#
#    0 AMB  20-2:857      0 AMB  20-1:857    2.80    (#    857:20  Double Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 451, 452, 488, 489, 419, 420,
 igr2= 454, 455, 159, 160, 454, 455,
 &end
#
#   26 LEU  HB+          30 PRO  HG-         6.00    (#    858:20  Unique         3.79, 6.26 A)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 454, 455,
 &end
#
#   26 LEU  HB-          30 PRO  HG-         6.00    (#    859:20  Unique         3.79, 6.26 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 454, 455,
 &end
#
#   26 LEU  MDX          30 PRO  HG-         6.00    (#    860:20  Unique         2.48, 5.18 A)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 454, 455,
 &end
#
#   26 LEU  MDY          30 PRO  HG+         6.00    (#    861:20  Unique         2.48, 5.18 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 454, 455,
 &end
#
#   29 ASP  HA           30 PRO  HG-         6.00    (#    862:20  Unique         4.44, 4.60 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 454, 455,
 &end
#
#   29 ASP  HA           30 PRO  HG+         6.00    (#    863:20  Unique         4.44, 4.60 A)
 &rst
  ixpk= 863, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 454, 455,
 &end
#
#   31 ALA  HN           30 PRO  HG-         6.00    (#    864:20  Unique         3.30, 4.67 A)
 &rst
  ixpk= 864, nxpk= 20, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 454, 455,
 &end
#
#    0 AMB  20-2:865      0 AMB  20-1:865    6.00    (#    865:20  Double Ambig)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 468, 469, 470, 337, 338, 508, 509,
 igr2= 451, 452, 451, 452, 451, 452,
 &end
#
#    0 AMB  20-2:866     30 PRO  HD-         6.00    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 468, 469, 470, 337, 338, 508, 509,
 igr2= 451, 452,
 &end
#
#   29 ASP  HB-          30 PRO  HD-         6.00    (#    867:20  Unique         4.61, 4.90 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 442, 443,
 igr2= 451, 452,
 &end
#
#   29 ASP  HB-          30 PRO  HD+         6.00    (#    868:20  Unique         4.61, 4.90 A)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 442, 443,
 igr2= 451, 452,
 &end
#
#   29 ASP  HB+          30 PRO  HD+         6.00    (#    869:20  Unique         4.61, 4.90 A)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 442, 443,
 igr2= 451, 452,
 &end
#
#   29 ASP  HB+          30 PRO  HD-         6.00    (#    870:20  Unique         4.61, 4.90 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 442, 443,
 igr2= 451, 452,
 &end
#
#   30 PRO  HA           30 PRO  HD-         6.00    (#    871:20  Unique         3.44, 3.68 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#   28 ASN  HA           30 PRO  HD-         6.00    (#    872:20  Unique         3.87, 5.41 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:873      0 AMB  20-1:873    2.20    (#    873:20  Double Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr1= 508, 509, 468, 469, 470, 173, 174, 175,
 igr2= 466, 171,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    6.00    (#    874:20  Double Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 106, 115, 492, 500,
 igr2= 466, 171,
 &end
#
#   34 LEU  HN           31 ALA  HA          6.00    (#    875:20  Unique         3.16, 3.34 A)
 &rst
  ixpk= 875, nxpk= 20, iat= 504, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 PHE  HN           31 ALA  HA          6.00    (#    876:20  Unique         3.73, 4.03 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 484, 466, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HA           31 ALA  MB          6.00    (#    877:20  Unique         5.02, 6.09 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 468, 469, 470,
 &end
#
#   31 ALA  MB           32 ALA  HA          6.00    (#    878:20  Unique         4.28, 5.00 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 468, 469, 470,
 &end
#
#   34 LEU  HN           32 ALA  HA          6.00    (#    879:20  Unique         4.33, 4.58 A)
 &rst
  ixpk= 879, nxpk= 20, iat= 504, 476, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HB-          32 ALA  MB          6.00    (#    880:20  Unique         2.59, 4.93 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 442, 443,
 igr2= 478, 479, 480,
 &end
#
#   33 PHE  HB-          33 PHE  HA          6.00    (#    881:20  Unique         2.19, 2.46 A)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 488, 489,
 &end
#
#   30 PRO  HA           33 PHE  HB-         6.00    (#    882:20  Unique         5.09, 6.26 A)
 &rst
  ixpk= 882, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   25 TRP  HZ3          33 PHE  HB+         6.00    (#    883:20  Unique         2.21, 3.48 A)
 &rst
  ixpk= 883, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   25 TRP  HZ3          33 PHE  HB-         6.00    (#    884:20  Unique         2.21, 3.48 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#    0 AMB  20-2:885      0 AMB  20-1:885    6.00    (#    885:20  Double Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 492, 500, 106, 115,
 igr2= 488, 489, 488, 489,
 &end
#
#   25 TRP  HE3          33 PHE  HB+         6.00    (#    886:20  Unique         3.50, 4.32 A)
 &rst
  ixpk= 886, nxpk= 20, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   34 LEU  HN           33 PHE  HB-         6.00    (#    887:20  Unique         3.86, 4.45 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   33 PHE  HN           33 PHE  HB+         6.00    (#    888:20  Unique         3.23, 3.56 A)
 &rst
  ixpk= 888, nxpk= 20, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#    8 ARG  HN           33 PHE  HB-         6.00    (#    889:20  Unique         2.77, 3.63 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#    8 ARG  HN           33 PHE  HB+         6.00    (#    890:20  Unique         2.77, 3.63 A)
 &rst
  ixpk= 890, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 488, 489,
 &end
#
#   26 LEU  MDX          33 PHE  HB-         6.00    (#    891:20  Unique         3.37, 7.35 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 488, 489,
 &end
#
#   26 LEU  MDY          33 PHE  HB-         6.00    (#    893:20  Unique         3.37, 7.35 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 488, 489,
 &end
#
#   26 LEU  MDX          26 LEU  HA          3.50    (#    894:20  Unique         2.14, 3.71 A)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HG           26 LEU  HA          6.00    (#    895:20  Unique         2.33, 2.90 A)
 &rst
  ixpk= 895, nxpk= 20, iat= 405, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HG1+         34 LEU  HA          6.00    (#    896:20  Unique         3.53, 4.46 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   35 ILE  HG1-         34 LEU  HA          6.00    (#    897:20  Unique         3.53, 4.46 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   26 LEU  HN           26 LEU  HA          6.00    (#    898:20  Unique         2.82, 2.87 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:899     34 LEU  HA          6.00    (#    899:20  Single Ambig)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 484,  98,
 &end
#
#   23 PRO  HD+          23 PRO  HG-         6.00    (#    900:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 351, 352,
 igr2= 354, 355,
 &end
#
#   33 PHE  HE           34 LEU  MDX         6.00    (#    901:20  Unique         4.19, 9.22 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 494, 498,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  HN           34 LEU  MDX         6.00    (#    902:20  Unique         3.91, 5.06 A)
 &rst
  ixpk= 902, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   43 LEU  HA           43 LEU  MDY         3.50    (#    903:20  Unique         2.20, 3.80 A)
 &rst
  ixpk= 903, nxpk= 20, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 656, 657, 658, 660, 661, 662,
 &end
#
#   35 ILE  HB           35 ILE  HG1-        2.80    (#    904:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 904, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 533, 534,
 &end
#
#    7 TYR  HA           35 ILE  HG1-        6.00    (#    905:20  Unique         2.41, 3.32 A)
 &rst
  ixpk= 905, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#    7 TYR  HA           35 ILE  HG1+        6.00    (#    906:20  Unique         2.41, 3.32 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   36 GLN  HN           35 ILE  HG1+        6.00    (#    907:20  Unique         4.34, 4.80 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   36 GLN  HN           35 ILE  HG1-        6.00    (#    908:20  Unique         4.34, 4.80 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#    8 ARG  HN           35 ILE  HG1-        6.00    (#    909:20  Unique         2.83, 3.51 A)
 &rst
  ixpk= 909, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#    8 ARG  HN           35 ILE  HG1+        6.00    (#    910:20  Unique         2.83, 3.51 A)
 &rst
  ixpk= 910, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#    7 TYR  HA           35 ILE  MD1         6.00    (#    911:20  Unique         3.64, 4.41 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 536, 537, 538,
 &end
#
#    8 ARG  HA           35 ILE  MD1         6.00    (#    912:20  Unique         4.11, 5.35 A)
 &rst
  ixpk= 912, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 536, 537, 538,
 &end
#
#    7 TYR  HN           35 ILE  MD1         6.00    (#    913:20  Unique         3.31, 4.10 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 536, 537, 538,
 &end
#
#   22 GLN  HG+          22 GLN  HA          6.00    (#    914:20  Unique         2.39, 3.14 A)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 340, 341,
 &end
#
#   16 TRP  HZ2          22 GLN  HA          6.00    (#    915:20  Unique         3.28, 3.56 A)
 &rst
  ixpk= 915, nxpk= 20, iat= 249, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 GLN  HN           22 GLN  HA          6.00    (#    916:20  Unique         2.81, 2.86 A)
 &rst
  ixpk= 916, nxpk= 20, iat= 333, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HA           36 GLN  HG+         6.00    (#    917:20  Unique         3.61, 4.62 A)
 &rst
  ixpk= 917, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   34 LEU  HA           36 GLN  HG+         6.00    (#    918:20  Unique         4.67, 6.34 A)
 &rst
  ixpk= 918, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   38 ASP  HN           37 PRO  HA          6.00    (#    919:20  Unique         2.13, 2.81 A)
 &rst
  ixpk= 919, nxpk= 20, iat= 573, 569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 PRO  HB+          37 PRO  HA          3.50    (#    920:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 566, 567,
 &end
#
#   37 PRO  HB-          37 PRO  HA          6.00    (#    921:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 567,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    6.00    (#    922:20  Double Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 374, 387,
 igr2= 357, 358, 357, 358,
 &end
#
#    9 ASP  HA           10 PRO  HG+         6.00    (#    923:20  Unique         4.35, 4.52 A)
 &rst
  ixpk= 923, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 159, 160,
 &end
#
#    9 ASP  HA           10 PRO  HG-         6.00    (#    924:20  Unique         4.35, 4.52 A)
 &rst
  ixpk= 924, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 159, 160,
 &end
#
#   11 ALA  HN           10 PRO  HD+         6.00    (#    925:20  Unique         2.71, 3.44 A)
 &rst
  ixpk= 925, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 156, 157,
 &end
#
#   37 PRO  HA           38 ASP  HB+         6.00    (#    926:20  Unique         4.29, 4.77 A)
 &rst
  ixpk= 926, nxpk= 20, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   37 PRO  HA           38 ASP  HB-         6.00    (#    927:20  Unique         4.29, 4.77 A)
 &rst
  ixpk= 927, nxpk= 20, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   32 ALA  MB           29 ASP  HB-         6.00    (#    928:20  Unique         2.59, 4.93 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 478, 479, 480,
 igr2= 442, 443,
 &end
#
#   39 LEU  HN           38 ASP  HB-         6.00    (#    929:20  Unique         2.86, 3.94 A)
 &rst
  ixpk= 929, nxpk= 20, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 577, 578,
 &end
#
#   40 PRO  HD+          39 LEU  HA          3.50    (#    930:20  Unique         2.12, 2.47 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 605, 606,
 &end
#
#   40 PRO  HD-          39 LEU  HA          3.50    (#    931:20  Unique         2.12, 2.47 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 587, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 605, 606,
 &end
#
#   39 LEU  HN           39 LEU  HA          6.00    (#    932:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 585, 587, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:933     39 LEU  HG          6.00    (#    933:20  Single Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 587, 575,
 &end
#
#   43 LEU  HB+          40 PRO  HA          6.00    (#    934:20  Unique         5.23, 6.55 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 651, 652,
 &end
#
#    0 AMB  20-2:935      0 AMB  20-1:935    6.00    (#    935:20  Double Ambig)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 634, 635, 636, 641, 642, 643,
 igr2= 611, 612, 611, 612,
 &end
#
#    0 AMB  20-2:936      0 AMB  20-1:936    6.00    (#    936:20  Double Ambig)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 651, 652, 589, 590, 651, 652,
 igr2= 566, 567, 566, 567, 611, 612,
 &end
#
#   36 GLN  HN           37 PRO  HD+         6.00    (#    937:20  Unique         4.75, 4.97 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 560, 561,
 &end
#
#   36 GLN  HN           37 PRO  HD-         6.00    (#    938:20  Unique         4.75, 4.97 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 560, 561,
 &end
#
#   38 ASP  HN           37 PRO  HD+         6.00    (#    939:20  Unique         2.78, 4.43 A)
 &rst
  ixpk= 939, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 560, 561,
 &end
#
#   38 ASP  HN           37 PRO  HD-         6.00    (#    940:20  Unique         2.78, 4.43 A)
 &rst
  ixpk= 940, nxpk= 20, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 560, 561,
 &end
#
#    0 AMB  20-2:941     41 ALA  HA          6.00    (#    941:20  Single Ambig)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 641, 642, 643, 634, 635, 636, 656, 657, 658, 660,
       661, 662,
 &end
#
#   43 LEU  HB+          42 ILE  HA          6.00    (#    943:20  Unique         4.51, 4.95 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 651, 652,
 &end
#
#    0 AMB  20-2:944     42 ILE  HB          6.00    (#    944:20  Single Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 647, 666,
 &end
#
#   42 ILE  HA           42 ILE  HG1-        6.00    (#    945:20  Unique         2.65, 3.52 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 638, 639,
 &end
#
#   43 LEU  HB-          43 LEU  HA          2.80    (#    946:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 651, 652,
 &end
#
#    0 AMB  20-2:947     43 LEU  HA          2.80    (#    947:20  Single Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 651, 652, 654,
 &end
#
#   43 LEU  HA           43 LEU  HG          6.00    (#    948:20  Unique         2.47, 3.22 A)
 &rst
  ixpk= 948, nxpk= 20, iat= 649, 654, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 PHE  HE           34 LEU  HG          6.00    (#    954:20  Unique         4.19, 7.57 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 494, 498,
 &end
#
#   37 PRO  HD+          36 GLN  HA          6.00    (#    955:20  Unique         2.06, 2.47 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 560, 561,
 &end
#
#   36 GLN  HB+          36 GLN  HA          6.00    (#    956:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#   18 GLY  HA+           6 LYS  HD+         6.00    (#    957:20  Unique         2.58, 4.05 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 273, 274,
 igr2=  86,  87,
 &end
#
#    0 AMB  20-2:958      0 AMB  20-1:958    6.00    (#    958:20  Double Ambig)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 311, 360,
 igr2= 337, 338, 337, 338,
 &end
#
#    0 AMB  20-2:959      0 AMB  20-1:959    6.00    (#    959:20  Double Ambig)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 262,  78,
 igr2=  86,  87,  86,  87,
 &end
#
#    9 ASP  HN            8 ARG  HB+         6.00    (#    960:20  Unique         4.25, 4.35 A)
 &rst
  ixpk= 960, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 123, 124,
 &end
#
#    9 ASP  HN            8 ARG  HB-         6.00    (#    961:20  Unique         4.25, 4.35 A)
 &rst
  ixpk= 961, nxpk= 20, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 123, 124,
 &end
#
#   26 LEU  MDY          26 LEU  HB-         6.00    (#    962:20  Unique         2.30, 3.37 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 402, 403,
 &end
#
#   26 LEU  MDX          26 LEU  HB+         3.50    (#    963:20  Unique         2.30, 3.37 A)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 402, 403,
 &end
#
#   30 PRO  HB-          26 LEU  HB-         6.00    (#    964:20  Unique         2.36, 6.85 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 457, 458,
 igr2= 402, 403,
 &end
#
#   30 PRO  HA           26 LEU  HB-         8.00    (#    965:20  Unique         4.19, 5.73 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 402, 403,
 &end
#
#   26 LEU  HN           26 LEU  HB+         6.00    (#    966:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 966, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#   26 LEU  HN           26 LEU  HB-         6.00    (#    967:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 967, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#   22 GLN  HE2-         26 LEU  HB+         6.00    (#    968:20  Unique         2.51, 4.87 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 345, 346,
 igr2= 402, 403,
 &end
#
#   22 GLN  HE2-         26 LEU  HB-         6.00    (#    969:20  Unique         2.51, 4.87 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 345, 346,
 igr2= 402, 403,
 &end
#
#   22 GLN  HE2+         26 LEU  HB+         6.00    (#    970:20  Unique         2.51, 4.87 A)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 345, 346,
 igr2= 402, 403,
 &end
#
#   22 GLN  HE2+         26 LEU  HB-         6.00    (#    971:20  Unique         2.51, 4.87 A)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 345, 346,
 igr2= 402, 403,
 &end
#
#   27 GLY  HN           26 LEU  HB-         6.00    (#    972:20  Unique         2.43, 3.56 A)
 &rst
  ixpk= 972, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#   27 GLY  HN           26 LEU  HB+         6.00    (#    973:20  Unique         2.43, 3.56 A)
 &rst
  ixpk= 973, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 402, 403,
 &end
#
#    9 ASP  HA           10 PRO  HD+         2.80    (#    974:20  Unique         2.13, 2.40 A)
 &rst
  ixpk= 974, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 156, 157,
 &end
#
#    9 ASP  HA           10 PRO  HD-         2.20    (#    975:20  Unique         2.13, 2.40 A)
 &rst
  ixpk= 975, nxpk= 20, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr2= 156, 157,
 &end
#
#    0 AMB  20-2:976      0 AMB  20-1:976    6.00    (#    976:20  Double Ambig)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 351, 352, 546, 547,
 igr2= 360, 525,
 &end
#
#   23 PRO  HG+          23 PRO  HA          6.00    (#    977:20  Unique         2.90, 3.74 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 354, 355,
 &end
#
#   26 LEU  MDY          23 PRO  HB-         6.00    (#    978:20  Unique         2.42, 6.58 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 357, 358,
 &end
#
#    0 AMB  20-2:979     23 PRO  HB-         6.00    (#    979:20  Single Ambig)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 374, 387,
 igr2= 357, 358,
 &end
#
#   25 TRP  HD1          23 PRO  HB-         6.00    (#    980:20  Unique         2.87, 3.81 A)
 &rst
  ixpk= 980, nxpk= 20, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 357, 358,
 &end
#
#   25 TRP  HE1          23 PRO  HB-         6.00    (#    981:20  Unique         2.58, 3.07 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 357, 358,
 &end
#
#   26 LEU  MDY          23 PRO  HG+         6.00    (#    982:20  Unique         2.60, 5.37 A)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 354, 355,
 &end
#
#   26 LEU  MDY          23 PRO  HG-         6.00    (#    983:20  Unique         2.60, 5.37 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 407, 408, 409, 411, 412, 413,
 igr2= 354, 355,
 &end
#
#   22 GLN  HA           23 PRO  HG+         6.00    (#    984:20  Unique         4.27, 4.53 A)
 &rst
  ixpk= 984, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 354, 355,
 &end
#
#   23 PRO  HA           23 PRO  HG+         6.00    (#    985:20  Unique         2.90, 3.74 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 354, 355,
 &end
#
#   16 TRP  HB+          23 PRO  HG-         6.00    (#    986:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 240, 241,
 igr2= 354, 355,
 &end
#
#   16 TRP  HB-          23 PRO  HG-         6.00    (#    987:20  Unique         2.28, 3.36 A)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 240, 241,
 igr2= 354, 355,
 &end
#
#   25 TRP  HE1          23 PRO  HG+         6.00    (#    988:20  Unique         2.92, 3.79 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 354, 355,
 &end
#
#    0 AMB  20-2:989      0 AMB  20-1:989    6.00    (#    989:20  Double Ambig)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 402, 403, 354, 355,
 igr2= 351, 352, 351, 352,
 &end
#
#   22 GLN  HA           23 PRO  HD-         6.00    (#    990:20  Unique         2.09, 2.38 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 351, 352,
 &end
#
#   23 PRO  HB+          23 PRO  HD+         6.00    (#    991:20  Unique         2.83, 3.70 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 357, 358,
 igr2= 351, 352,
 &end
#
#   25 TRP  HN           24 ALA  HA          6.00    (#    992:20  Unique         3.55, 3.59 A)
 &rst
  ixpk= 992, nxpk= 20, iat= 374, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 GLY  HN           24 ALA  HA          6.00    (#    993:20  Unique         3.64, 4.13 A)
 &rst
  ixpk= 993, nxpk= 20, iat= 417, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           24 ALA  HA          6.00    (#    994:20  Unique         3.70, 4.03 A)
 &rst
  ixpk= 994, nxpk= 20, iat= 398, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ALA  HN           24 ALA  HA          6.00    (#    995:20  Unique         2.78, 2.81 A)
 &rst
  ixpk= 995, nxpk= 20, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ALA  MB           25 TRP  HA          6.00    (#    997:20  Unique         4.33, 5.00 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 368, 369, 370,
 &end
#
#    0 AMB  20-2:999      0 AMB  20-1:999    6.00    (#    999:20  Double Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 374, 492, 500,
 igr2= 378, 379, 378, 379,
 &end
#
#   25 TRP  HH2          25 TRP  HB-         6.00    (#   1000:20  Unique         6.41, 6.88 A)
 &rst
  ixpk= 1000, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 378, 379,
 &end
#
#    0 AMB  20-2:1001     0 AMB  20-1:1001   6.00    (#   1001:20  Double Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 337, 338, 351, 352, 340, 341,
 igr2= 402, 403, 402, 403, 402, 403,
 &end
#
#    0 AMB  20-2:1002    26 LEU  HB-         6.00    (#   1002:20  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 351, 352, 340, 341,
 igr2= 402, 403,
 &end
#
#   30 PRO  HG-          26 LEU  HB+         6.00    (#   1003:20  Unique         3.79, 6.26 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 454, 455,
 igr2= 402, 403,
 &end
#
#   29 ASP  HN           27 GLY  HA+         6.00    (#   1004:20  Unique         3.30, 5.10 A)
 &rst
  ixpk= 1004, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#   29 ASP  HN           27 GLY  HA-         6.00    (#   1005:20  Unique         3.30, 5.10 A)
 &rst
  ixpk= 1005, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#   28 ASN  HB+          28 ASN  HA          6.00    (#   1006:20  Unique         2.33, 2.65 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 428, 429,
 &end
#
#   28 ASN  HD2+         28 ASN  HB+         6.00    (#   1007:20  Unique         2.22, 3.25 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 433, 434,
 igr2= 428, 429,
 &end
#
#   28 ASN  HD2-         28 ASN  HB+         6.00    (#   1008:20  Unique         2.22, 3.25 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 433, 434,
 igr2= 428, 429,
 &end
#
#   28 ASN  HD2-         28 ASN  HB-         6.00    (#   1009:20  Unique         2.22, 3.25 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 433, 434,
 igr2= 428, 429,
 &end
#
#   29 ASP  HN           28 ASN  HB+         6.00    (#   1010:20  Unique         2.23, 3.47 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 428, 429,
 &end
#
#   29 ASP  HN           28 ASN  HB-         6.00    (#   1011:20  Unique         2.23, 3.47 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 428, 429,
 &end
#
#   29 ASP  HB-          29 ASP  HA          3.50    (#   1013:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 442, 443,
 &end
#
#   29 ASP  HB+          29 ASP  HA          6.00    (#   1014:20  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 443,
 &end
#
#   30 PRO  HD-          29 ASP  HA          2.80    (#   1015:20  Unique         2.22, 2.43 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 451, 452,
 &end
#
#   30 PRO  HD+          29 ASP  HA          2.20    (#   1016:20  Unique         2.22, 2.43 A)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 451, 452,
 &end
#
#   29 ASP  HN           29 ASP  HA          6.00    (#   1017:20  Unique         2.88, 2.94 A)
 &rst
  ixpk= 1017, nxpk= 20, iat= 438, 440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 PRO  HD-          29 ASP  HB+         6.00    (#   1018:20  Unique         4.61, 4.90 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 442, 443,
 &end
#
#   30 PRO  HD-          29 ASP  HB-         6.00    (#   1019:20  Unique         4.61, 4.90 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 442, 443,
 &end
#
#    0 AMB  20-2:1020    29 ASP  HB-         6.00    (#   1020:20  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 451, 452, 419, 420, 488, 489,
 igr2= 442, 443,
 &end
#
#    0 AMB  20-2:1021     0 AMB  20-1:1021   6.00    (#   1021:20  Double Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 451, 452, 419, 420, 488, 489,
 igr2= 442, 443, 442, 443, 442, 443,
 &end
#
#    0 AMB  20-2:1024     0 AMB  20-1:1024   6.00    (#   1024:20  Double Ambig)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 102, 103, 240, 241,
 igr2=  80,  81,  80,  81,
 &end
#
#    5 PRO  HD-           5 PRO  HB+         6.00    (#   1025:20  Unique         2.81, 3.68 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  63,  64,
 igr2=  69,  70,
 &end
#
#   35 ILE  MD1           5 PRO  HB+         6.00    (#   1026:20  Unique         2.35, 3.67 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 536, 537, 538,
 igr2=  69,  70,
 &end
#
#    7 TYR  HN            5 PRO  HB-         6.00    (#   1027:20  Unique         2.76, 3.74 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#    7 TYR  HN            5 PRO  HB+         6.00    (#   1028:20  Unique         2.76, 3.74 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#   16 TRP  HN            5 PRO  HB+         6.00    (#   1029:20  Unique         3.10, 3.73 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#   16 TRP  HN            5 PRO  HB-         6.00    (#   1030:20  Unique         3.10, 3.73 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#   24 ALA  HN           23 PRO  HB+         6.00    (#   1031:20  Unique         2.74, 3.24 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 357, 358,
 &end
#
#   11 ALA  HN           10 PRO  HB+         6.00    (#   1032:20  Unique         3.05, 4.07 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 162, 163,
 &end
#
#   14 LYS  HB-          14 LYS  HD+         6.00    (#   1033:20  Unique         2.39, 2.84 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205,
 igr2= 210, 211,
 &end
#
#    7 TYR  HN            7 TYR  HA          6.00    (#   1034:20  Unique         2.98, 2.99 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HN           11 ALA  HA          6.00    (#   1036:20  Unique         3.50, 3.56 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 179, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 PRO  HB-          11 ALA  HA          6.00    (#   1037:20  Unique         4.07, 4.99 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#   12 THR  MG2          11 ALA  HA          6.00    (#   1038:20  Unique         4.48, 5.30 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 185, 186, 187,
 &end
#
#   12 THR  MG2          12 THR  HB          2.20    (#   1039:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
 igr1= 185, 186, 187,
 &end
#
#   14 LYS  HG-          12 THR  HB          6.00    (#   1040:20  Unique         2.85, 4.09 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 207, 208,
 &end
#
#   13 GLY  HN           12 THR  HB          6.00    (#   1041:20  Unique         3.99, 4.19 A)
 &rst
  ixpk= 1041, nxpk= 20, iat= 193, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HN           14 LYS  HD-         6.00    (#   1042:20  Unique         3.87, 4.40 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 210, 211,
 &end
#
#    0 AMB  20-2:1043    20 GLY  HA-         6.00    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 288, 289, 319, 320,
 igr2= 304, 305,
 &end
#
#   26 LEU  MDX          26 LEU  HG          6.00    (#   1044:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 407, 408, 409, 411, 412, 413,
 &end
#
#   26 LEU  HB-          26 LEU  HG          6.00    (#   1045:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   26 LEU  HB+          26 LEU  HG          6.00    (#   1046:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   26 LEU  HA           26 LEU  HG          6.00    (#   1047:20  Unique         2.33, 2.90 A)
 &rst
  ixpk= 1047, nxpk= 20, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           26 LEU  HG          6.00    (#   1048:20  Unique         4.00, 4.37 A)
 &rst
  ixpk= 1048, nxpk= 20, iat= 398, 405, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 LEU  HA           34 LEU  HG          6.00    (#   1049:20  Unique         2.38, 2.49 A)
 &rst
  ixpk= 1049, nxpk= 20, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 LEU  HA           35 ILE  HB          6.00    (#   1050:20  Unique         4.59, 4.68 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 506, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 LYS  HA           35 ILE  HB          6.00    (#   1051:20  Unique         2.76, 3.11 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  78, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HN           35 ILE  HB          6.00    (#   1052:20  Unique         4.54, 4.87 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=  98, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 PRO  HD-          37 PRO  HB-         3.50    (#   1053:20  Unique         2.73, 3.67 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 560, 561,
 igr2= 566, 567,
 &end
#
#   39 LEU  HA           39 LEU  MDY         3.50    (#   1054:20  Unique         2.19, 3.95 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 587,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 594, 595, 596, 598, 599, 600,
 &end
#
#   13 GLY  HA-           8 ARG  HG+         6.00    (#   1058:20  Unique         2.98, 4.07 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 195, 196,
 igr2= 126, 127,
 &end
#
#   13 GLY  HA-           8 ARG  HG-         6.00    (#   1059:20  Unique         2.98, 4.07 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 195, 196,
 igr2= 126, 127,
 &end
#
#    0 AMB  20-2:1062    40 PRO  HD-         6.00    (#   1062:20  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 628,
 igr2= 605, 606,
 &end
#
#    0 AMB  20-2:1063     0 AMB  20-1:1063   6.00    (#   1063:20  Double Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 585, 628,
 igr2= 605, 606, 605, 606,
 &end
#
#   14 LYS  HD-          12 THR  HB          6.00    (#   1071:20  Unique         3.59, 5.04 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 210, 211,
 &end
#
#    5 PRO  HA            5 PRO  HD+         6.00    (#   1072:20  Unique         3.43, 3.81 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  63,  64,
 &end
#
#    5 PRO  HA            5 PRO  HD-         6.00    (#   1073:20  Unique         3.43, 3.81 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  63,  64,
 &end
#
#   33 PHE  HE           34 LEU  MDY         6.00    (#   1077:20  Unique         4.19, 9.22 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 494, 498,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#    0 AMB  20-2:1078    34 LEU  MDY         6.00    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 106, 115, 492, 500,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  HN           34 LEU  MDY         6.00    (#   1079:20  Unique         3.91, 5.06 A)
 &rst
  ixpk= 1079, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   35 ILE  HN           34 LEU  MDY         6.00    (#   1080:20  Unique         2.26, 4.60 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#   16 TRP  HZ2          18 GLY  HA+         6.00    (#   1081:20  Unique         2.82, 3.89 A)
 &rst
  ixpk= 1081, nxpk= 20, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 273, 274,
 &end
#
#   41 ALA  HN            0 AMB  20-1:1082   6.00    (#   1082:20  Single Ambig)
 &rst
  ixpk= 1082, nxpk= 20, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 611, 612, 566, 567,
 &end
#
#   41 ALA  HN            0 AMB  20-1:1083   6.00    (#   1083:20  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 20, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 611, 612, 566, 567,
 &end
#
#   40 PRO  HD+          40 PRO  HB+         6.00    (#   1084:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 605, 606,
 igr2= 611, 612,
 &end
#
#   40 PRO  HD-          40 PRO  HB+         6.00    (#   1085:20  Unique         2.84, 3.68 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 605, 606,
 igr2= 611, 612,
 &end
#
#   37 PRO  HA           37 PRO  HB+         2.80    (#   1086:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 566, 567,
 &end
#
#   37 PRO  HA           37 PRO  HB-         6.00    (#   1087:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 1087, nxpk= 20, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:1088    43 LEU  MDY         6.00    (#   1088:20  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 651, 652, 654, 589, 590,
 igr2= 656, 657, 658, 660, 661, 662,
 &end
#
#    0 AMB  20-2:1089     0 AMB  20-1:1089   6.00    (#   1089:20  Double Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 108, 113, 253, 496,
 igr2= 102, 103, 102, 103, 102, 103,
 &end
#
#    0 AMB  20-2:1090     7 TYR  HB-         6.00    (#   1090:20  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 108, 113, 253, 496,
 igr2= 102, 103,
 &end
#
#   39 LEU  HN           40 PRO  HA          6.00    (#   1091:20  Unique         4.55, 4.95 A)
 &rst
  ixpk= 1091, nxpk= 20, iat= 585, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1092     3 THR  MG2         6.00    (#   1092:20  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  25,  26, 264, 265,
 igr2=  38,  39,  40,
 &end
#
#    5 PRO  HD-           5 PRO  HG+         2.80    (#   1093:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  63,  64,
 igr2=  66,  67,
 &end
#
#    7 TYR  HN            5 PRO  HG+         6.00    (#   1094:20  Unique         4.80, 5.53 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  66,  67,
 &end
#
#   41 ALA  HN            0 AMB  20-1:1095   6.00    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 608, 609, 563, 564,
 &end
#
#    0 AMB  20-2:1096     6 LYS  HA          6.00    (#   1096:20  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 102, 103, 240, 241, 129, 130, 488, 489,
 &end
#
#    6 LYS  HE+           6 LYS  HA          6.00    (#   1097:20  Unique         4.26, 5.26 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  89,  90,
 &end
#
#    5 PRO  HA            6 LYS  HB+         6.00    (#   1098:20  Unique         4.13, 4.51 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  80,  81,
 &end
#
#   17 SER  HB+           6 LYS  HB+         6.00    (#   1099:20  Unique         3.94, 4.84 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 264, 265,
 igr2=  80,  81,
 &end
#
#   18 GLY  HA+           6 LYS  HB+         6.00    (#   1100:20  Unique         3.75, 4.82 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 273, 274,
 igr2=  80,  81,
 &end
#
#    6 LYS  HN            6 LYS  HG+         6.00    (#   1101:20  Unique         3.10, 4.48 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#    6 LYS  HN            6 LYS  HG-         6.00    (#   1102:20  Unique         3.10, 4.48 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#    7 TYR  HN            6 LYS  HG+         6.00    (#   1103:20  Unique         4.19, 4.68 A)
 &rst
  ixpk= 1103, nxpk= 20, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:1104     0 AMB  20-1:1104   6.00    (#   1104:20  Double Ambig)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  98, 618,
 igr2=  83,  84, 594, 595, 596, 598, 599, 600,
 &end
#
#   16 TRP  HH2           6 LYS  HE+         6.00    (#   1105:20  Unique         6.23, 6.95 A)
 &rst
  ixpk= 1105, nxpk= 20, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  89,  90,
 &end
#
#   35 ILE  MD1           7 TYR  HA          6.00    (#   1106:20  Unique         3.64, 4.41 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 536, 537, 538,
 &end
#
#    7 TYR  HA            8 ARG  HA          6.00    (#   1107:20  Unique         4.49, 4.53 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 100, 121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HE3           9 ASP  HA          3.50    (#   1108:20  Unique         3.53, 3.57 A)
 &rst
  ixpk= 1108, nxpk= 20, iat= 393, 145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 TRP  HH2           9 ASP  HB-         6.00    (#   1109:20  Unique         4.15, 4.72 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 147, 148,
 &end
#
#   11 ALA  MB           10 PRO  HA          6.00    (#   1110:20  Unique         5.69, 6.08 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 173, 174, 175,
 &end
#
#    8 ARG  HD+          10 PRO  HA          6.00    (#   1111:20  Unique         5.13, 6.16 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 129, 130,
 &end
#
#   13 GLY  HA-          10 PRO  HA          6.00    (#   1112:20  Unique         4.05, 4.99 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 195, 196,
 &end
#
#   12 THR  HN           10 PRO  HA          6.00    (#   1113:20  Unique         4.14, 4.50 A)
 &rst
  ixpk= 1113, nxpk= 20, iat= 179, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HN           12 THR  HB          6.00    (#   1114:20  Unique         3.78, 3.81 A)
 &rst
  ixpk= 1114, nxpk= 20, iat= 179, 183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1115    12 THR  HB          6.00    (#   1115:20  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1, 183, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 171, 165, 156, 157,
 &end
#
#   14 LYS  HN           12 THR  MG2         6.00    (#   1116:20  Unique         4.86, 5.48 A)
 &rst
  ixpk= 1116, nxpk= 20, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 185, 186, 187,
 &end
#
#   15 THR  HA           14 LYS  HA          6.00    (#   1117:20  Unique         4.45, 4.49 A)
 &rst
  ixpk= 1117, nxpk= 20, iat= 224, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASP  HN           14 LYS  HA          6.00    (#   1118:20  Unique         4.83, 4.90 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 143, 202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASP  HB+          14 LYS  HB-         6.00    (#   1119:20  Unique         2.33, 3.58 A)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 147, 148,
 igr2= 204, 205,
 &end
#
#    9 ASP  HB+          14 LYS  HB+         6.00    (#   1120:20  Unique         2.33, 3.58 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 147, 148,
 igr2= 204, 205,
 &end
#
#   15 THR  HN           14 LYS  HB-         6.00    (#   1121:20  Unique         2.81, 3.44 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#   25 TRP  HZ2          14 LYS  HB+         6.00    (#   1122:20  Unique         2.96, 3.56 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 204, 205,
 &end
#
#   14 LYS  HE+          14 LYS  HB+         6.00    (#   1123:20  Unique         2.26, 4.50 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 213, 214,
 igr2= 204, 205,
 &end
#
#   14 LYS  HE+          14 LYS  HB-         6.00    (#   1124:20  Unique         2.26, 4.50 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 213, 214,
 igr2= 204, 205,
 &end
#
#    9 ASP  HB+          14 LYS  HG-         6.00    (#   1125:20  Unique         3.78, 5.27 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 147, 148,
 igr2= 207, 208,
 &end
#
#    9 ASP  HB+          14 LYS  HG+         6.00    (#   1126:20  Unique         3.78, 5.27 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 147, 148,
 igr2= 207, 208,
 &end
#
#   15 THR  HN           14 LYS  HG-         6.00    (#   1127:20  Unique         3.85, 4.41 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 207, 208,
 &end
#
#   15 THR  HN           14 LYS  HG+         6.00    (#   1128:20  Unique         3.85, 4.41 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 207, 208,
 &end
#
#    6 LYS  HG-          18 GLY  HA+         6.00    (#   1129:20  Unique         4.75, 5.88 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  83,  84,
 igr2= 273, 274,
 &end
#
#   19 ARG  HG+          19 ARG  HB+         2.80    (#   1130:20  Unique         2.39, 2.70 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 285, 286,
 igr2= 282, 283,
 &end
#
#   23 PRO  HD+          22 GLN  HB+         6.00    (#   1131:20  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 351, 352,
 igr2= 337, 338,
 &end
#
#   23 PRO  HD+          22 GLN  HB-         6.00    (#   1132:20  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 351, 352,
 igr2= 337, 338,
 &end
#
#    0 AMB  20-2:1133     0 AMB  20-1:1133   6.00    (#   1133:20  Double Ambig)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.33, r4=13.83,
 igr1= 240, 241, 319, 320, 102, 103, 102, 103, 288, 289,
      
 igr2= 337, 338, 337, 338,  86,  87,  86,  87, 337, 338,
        86,  87,
 &end
#
#   27 GLY  HN           25 TRP  HA          6.00    (#   1136:20  Unique         3.59, 4.05 A)
 &rst
  ixpk= 1136, nxpk= 20, iat= 417, 376, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1137    26 LEU  HA          6.00    (#   1137:20  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 419, 420, 451, 452,
 &end
#
#   25 TRP  HB+          26 LEU  HA          6.00    (#   1138:20  Unique         4.27, 5.13 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#    0 AMB  20-2:1139    26 LEU  HA          6.00    (#   1139:20  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 460, 376,
 &end
#
#   22 GLN  HG+          26 LEU  HB-         6.00    (#   1140:20  Unique         2.41, 4.47 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 340, 341,
 igr2= 402, 403,
 &end
#
#   32 ALA  HN           30 PRO  HD+         6.00    (#   1141:20  Unique         5.18, 5.57 A)
 &rst
  ixpk= 1141, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#   32 ALA  HN           30 PRO  HD-         6.00    (#   1142:20  Unique         5.18, 5.57 A)
 &rst
  ixpk= 1142, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 451, 452,
 &end
#
#   32 ALA  HA           31 ALA  MB          6.00    (#   1143:20  Unique         4.28, 5.00 A)
 &rst
  ixpk= 1143, nxpk= 20, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 468, 469, 470,
 &end
#
#   34 LEU  HN           32 ALA  MB          6.00    (#   1144:20  Unique         4.98, 5.61 A)
 &rst
  ixpk= 1144, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 478, 479, 480,
 &end
#
#   36 GLN  HN           34 LEU  HA          6.00    (#   1145:20  Unique         5.74, 5.95 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 542, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLN  HG+          35 ILE  HA          6.00    (#   1146:20  Unique         3.61, 4.62 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 &end
#
#    0 AMB  20-2:1147    35 ILE  HB          6.00    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=  83,  84, 228, 229, 230,
 &end
#
#    7 TYR  HA           34 LEU  MDY         6.00    (#   1148:20  Unique         3.42, 5.80 A)
 &rst
  ixpk= 1148, nxpk= 20, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 513, 514, 515, 517, 518, 519,
 &end
#
#    7 TYR  HA           35 ILE  HB          6.00    (#   1149:20  Unique         4.08, 4.28 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 100, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 ARG  HB+          35 ILE  HG1-        6.00    (#   1150:20  Unique         2.73, 3.36 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 124,
 igr2= 533, 534,
 &end
#
#    8 ARG  HB+          35 ILE  HG1+        6.00    (#   1151:20  Unique         2.73, 3.36 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 123, 124,
 igr2= 533, 534,
 &end
#
#   36 GLN  HB-          36 GLN  HA          6.00    (#   1152:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#   36 GLN  HG+          36 GLN  HA          6.00    (#   1153:20  Unique         2.49, 3.23 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 &end
#
#   36 GLN  HN           36 GLN  HA          6.00    (#   1154:20  Unique         2.87, 2.96 A)
 &rst
  ixpk= 1154, nxpk= 20, iat= 542, 544, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  MG2          36 GLN  HB-         6.00    (#   1155:20  Unique         4.82, 6.42 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 529, 530, 531,
 igr2= 546, 547,
 &end
#
#   34 LEU  MDX          36 GLN  HB+         6.00    (#   1156:20  Unique         2.82, 7.09 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 513, 514, 515, 517, 518, 519,
 igr2= 546, 547,
 &end
#
#   15 THR  HA           15 THR  HN          8.00    (#      0:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 0, nxpk= 10, iat= 224, 222, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   14 LYS  HB+          15 THR  HN          3.30    (#      2:10  Unique         2.81, 3.44 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 204, 205,
 &end
#
#    0 AMB  10-2:3       15 THR  HN          3.30    (#      3:10  Single Ambig)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 228, 229, 230, 207, 208,
 &end
#
#   14 LYS  HA           15 THR  HN          2.60    (#      4:10  Unique         2.24, 2.25 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 202, 222, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   15 THR  HA            9 ASP  HN          6.00    (#      6:10  Unique         3.42, 3.50 A)
 &rst
  ixpk= 6, nxpk= 10, iat= 224, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 ARG  HA            9 ASP  HN          2.60    (#      7:10  Unique         2.08, 2.11 A)
 &rst
  ixpk= 7, nxpk= 10, iat= 121, 143, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    9 ASP  HA            9 ASP  HN          6.00    (#      8:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 8, nxpk= 10, iat= 145, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ASP  HB+           9 ASP  HN          3.30    (#      9:10  Unique         2.26, 2.46 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 147, 148,
 &end
#
#    8 ARG  HG+           9 ASP  HN          3.30    (#     10:10  Unique         3.13, 3.37 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 126, 127,
 &end
#
#    8 ARG  HG-           9 ASP  HN          6.00    (#     11:10  Unique         3.13, 3.37 A)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 126, 127,
 &end
#
#   21 ARG  HA           22 GLN  HN          2.60    (#     12:10  Unique         2.12, 2.20 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 311, 333, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   22 GLN  HA           22 GLN  HN          6.00    (#     13:10  Unique         2.81, 2.86 A)
 &rst
  ixpk= 13, nxpk= 10, iat= 335, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:14      22 GLN  HN          3.30    (#     14:10  Single Ambig)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 340, 341, 313, 314,
 &end
#
#    0 AMB  10-2:15      22 GLN  HN          2.60    (#     15:10  Single Ambig)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 337, 338, 316, 317,
 &end
#
#    0 AMB  10-2:16      22 GLN  HN          2.60    (#     16:10  Single Ambig)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 340, 341, 337, 338,
 &end
#
#   36 GLN  HA           36 GLN  HN          6.00    (#     18:10  Unique         2.87, 2.96 A)
 &rst
  ixpk= 18, nxpk= 10, iat= 544, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HA           36 GLN  HN          2.60    (#     19:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 19, nxpk= 10, iat= 525, 542, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   36 GLN  HG+          36 GLN  HN          6.00    (#     20:10  Unique         2.25, 3.35 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 &end
#
#   36 GLN  HB+          36 GLN  HN          6.00    (#     21:10  Unique         2.38, 3.35 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#   36 GLN  HB-          36 GLN  HN          3.30    (#     22:10  Unique         2.38, 3.35 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 546, 547,
 &end
#
#    0 AMB  10-2:23      36 GLN  HN          6.00    (#     23:10  Single Ambig)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 527, 508, 509, 511,
 &end
#
#   35 ILE  MG2          36 GLN  HN          3.30    (#     24:10  Unique         2.85, 3.61 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 529, 530, 531,
 &end
#
#   43 LEU  HA           43 LEU  HN          3.30    (#     25:10  Unique         2.83, 2.94 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   42 ILE  HA           43 LEU  HN          2.60    (#     26:10  Unique         2.29, 2.34 A)
 &rst
  ixpk= 26, nxpk= 10, iat= 630, 647, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    0 AMB  10-2:27      43 LEU  HN          6.00    (#     27:10  Single Ambig)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 670, 671, 611, 612, 632,
 &end
#
#    0 AMB  10-2:28      43 LEU  HN          2.60    (#     28:10  Single Ambig)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 651, 652, 654,
 &end
#
#    0 AMB  10-2:29      43 LEU  HN          6.00    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 656, 657, 658, 660, 661, 662, 641, 642, 643, 634,
       635, 636,
 &end
#
#   34 LEU  HA           35 ILE  HN          2.60    (#     32:10  Unique         2.16, 2.19 A)
 &rst
  ixpk= 32, nxpk= 10, iat= 506, 523, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   35 ILE  HA           35 ILE  HN          6.00    (#     33:10  Unique         2.87, 2.93 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 525, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:34      35 ILE  HN          2.60    (#     34:10  Single Ambig)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 527, 511, 508, 509,
 &end
#
#   35 ILE  HG1-         35 ILE  HN          3.30    (#     35:10  Unique         2.12, 2.99 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 533, 534,
 &end
#
#   35 ILE  HG1+         35 ILE  HN          6.00    (#     36:10  Unique         2.12, 2.99 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   34 LEU  MDX          35 ILE  HN          6.00    (#     37:10  Unique         2.26, 4.60 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   35 ILE  MD1          35 ILE  HN          6.00    (#     38:10  Unique         3.72, 4.40 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 536, 537, 538,
 &end
#
#    7 TYR  HA           35 ILE  HN          6.00    (#     39:10  Unique         2.43, 2.65 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 100, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 PRO  HA           24 ALA  HN          6.00    (#     42:10  Unique         2.28, 2.35 A)
 &rst
  ixpk= 42, nxpk= 10, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ALA  MB           24 ALA  HN          6.00    (#     43:10  Unique         2.41, 2.84 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 368, 369, 370,
 &end
#
#    0 AMB  10-2:45       4 VAL  HN          2.60    (#     45:10  Single Ambig)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=  34,  48,
 &end
#
#    3 THR  HB            4 VAL  HN          6.00    (#     46:10  Unique         2.22, 2.81 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  36,  46, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:47       4 VAL  HN          6.00    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  50,   8,   9,
 &end
#
#    0 AMB  10-2:48       4 VAL  HN          2.60    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  52,  53,  54,  56,  57,  58,  52,  53,  54,  56,
        57,  58,
 &end
#
#   40 PRO  HA           41 ALA  HN          2.60    (#     50:10  Unique         2.13, 2.23 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 614, 618, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   41 ALA  HA           41 ALA  HN          3.30    (#     51:10  Unique         2.85, 2.93 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 620, 618, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:52      41 ALA  HN          6.00    (#     52:10  Single Ambig)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 611, 612, 566, 567,
 &end
#
#    0 AMB  10-2:53      41 ALA  HN          6.00    (#     53:10  Single Ambig)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 611, 612, 566, 567,
 &end
#
#   41 ALA  MB           41 ALA  HN          2.60    (#     54:10  Unique         2.47, 3.14 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 622, 623, 624,
 &end
#
#    0 AMB  10-2:57      39 LEU  HN          2.60    (#     57:10  Single Ambig)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 575, 587,
 &end
#
#   38 ASP  HB+          39 LEU  HN          6.00    (#     58:10  Unique         2.86, 3.94 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 577, 578,
 &end
#
#   38 ASP  HB-          39 LEU  HN          6.00    (#     59:10  Unique         2.86, 3.94 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 577, 578,
 &end
#
#   39 LEU  HB+          39 LEU  HN          2.60    (#     60:10  Unique         2.66, 3.14 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 589, 590,
 &end
#
#   33 PHE  HA           34 LEU  HN          6.00    (#     61:10  Unique         3.02, 3.21 A)
 &rst
  ixpk= 61, nxpk= 10, iat= 486, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ALA  HA           34 LEU  HN          6.00    (#     62:10  Unique         3.16, 3.34 A)
 &rst
  ixpk= 62, nxpk= 10, iat= 466, 504, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 LEU  HA           34 LEU  HN          3.30    (#     63:10  Unique         2.82, 2.88 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:64      34 LEU  HN          6.00    (#     64:10  Single Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 488, 489, 102, 103,
 &end
#
#   34 LEU  HB+          34 LEU  HN          2.60    (#     65:10  Unique         2.02, 2.62 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 508, 509,
 &end
#
#   34 LEU  MDX          34 LEU  HN          6.00    (#     66:10  Unique         3.91, 5.06 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   34 LEU  MDY          34 LEU  HN          6.00    (#     67:10  Unique         3.91, 5.06 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 513, 514, 515, 517, 518, 519,
 &end
#
#   27 GLY  HA+          27 GLY  HN          6.00    (#     68:10  Unique         2.26, 2.59 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 419, 420,
 &end
#
#   27 GLY  HA-          27 GLY  HN          3.30    (#     69:10  Unique         2.26, 2.59 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 419, 420,
 &end
#
#   26 LEU  HA           27 GLY  HN          6.00    (#     70:10  Unique         2.54, 3.39 A)
 &rst
  ixpk= 70, nxpk= 10, iat= 400, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HB-          27 GLY  HN          6.00    (#     71:10  Unique         2.43, 3.56 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   11 ALA  MB           12 THR  HN          6.00    (#     74:10  Unique         2.64, 3.55 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 173, 174, 175,
 &end
#
#   12 THR  MG2          12 THR  HN          6.00    (#     75:10  Unique         2.90, 3.70 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 185, 186, 187,
 &end
#
#   20 GLY  HA+          21 ARG  HN          2.60    (#     81:10  Unique         2.37, 2.60 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 304, 305,
 &end
#
#   21 ARG  HA           21 ARG  HN          3.30    (#     82:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 311, 309, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   20 GLY  HA-          21 ARG  HN          3.30    (#     83:10  Unique         2.37, 2.60 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 304, 305,
 &end
#
#   21 ARG  HB+          21 ARG  HN          2.60    (#     84:10  Unique         2.44, 2.92 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 313, 314,
 &end
#
#   21 ARG  HG+          21 ARG  HN          6.00    (#     85:10  Unique         2.30, 3.40 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 316, 317,
 &end
#
#    0 AMB  10-2:101     14 LYS  HN          3.30    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 202, 195, 196, 183,
 &end
#
#   13 GLY  HA-          14 LYS  HN          6.00    (#    102:10  Unique         3.24, 3.34 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 195, 196,
 &end
#
#    9 ASP  HB+          14 LYS  HN          6.00    (#    103:10  Unique         2.35, 3.42 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 147, 148,
 &end
#
#   14 LYS  HB+          14 LYS  HN          3.30    (#    104:10  Unique         2.35, 3.00 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 204, 205,
 &end
#
#   14 LYS  HG-          14 LYS  HN          3.30    (#    105:10  Unique         2.19, 2.92 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 207, 208,
 &end
#
#   14 LYS  HG+          14 LYS  HN          2.60    (#    106:10  Unique         2.19, 2.92 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 207, 208,
 &end
#
#   14 LYS  HB-          14 LYS  HN          3.30    (#    107:10  Unique         2.35, 3.00 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 204, 205,
 &end
#
#   38 ASP  HA           38 ASP  HN          2.60    (#    109:10  Unique         2.22, 2.55 A)
 &rst
  ixpk= 109, nxpk= 10, iat= 575, 573, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   37 PRO  HA           38 ASP  HN          3.30    (#    110:10  Unique         2.13, 2.81 A)
 &rst
  ixpk= 110, nxpk= 10, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   38 ASP  HB+          38 ASP  HN          8.00    (#    111:10  Unique         2.29, 2.81 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 577, 578,
 &end
#
#   38 ASP  HB-          38 ASP  HN          3.30    (#    112:10  Unique         2.29, 2.81 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 577, 578,
 &end
#
#   37 PRO  HB+          38 ASP  HN          6.00    (#    113:10  Unique         3.20, 4.16 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 567,
 &end
#
#   37 PRO  HG+          38 ASP  HN          6.00    (#    114:10  Unique         2.74, 4.64 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 564,
 &end
#
#    0 AMB  10-2:115     38 ASP  HN          3.30    (#    115:10  Single Ambig)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 546, 547, 566, 567,
 &end
#
#    0 AMB  10-2:116      6 LYS  HN          3.30    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 262,  78,
 &end
#
#    5 PRO  HA            6 LYS  HN          2.60    (#    117:10  Unique         2.21, 2.26 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  72,  76, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    6 LYS  HB+           6 LYS  HN          3.30    (#    118:10  Unique         2.58, 2.96 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  80,  81,
 &end
#
#   31 ALA  HA           32 ALA  HN          6.00    (#    119:10  Unique         3.48, 3.52 A)
 &rst
  ixpk= 119, nxpk= 10, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ALA  HA           32 ALA  HN          3.30    (#    120:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 476, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:121     32 ALA  HN          3.30    (#    121:10  Single Ambig)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 468, 469, 470, 508, 509,
 &end
#
#   32 ALA  MB           32 ALA  HN          2.60    (#    122:10  Unique         2.42, 2.84 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 478, 479, 480,
 &end
#
#   41 ALA  HA           42 ILE  HN          2.60    (#    125:10  Unique         2.23, 2.54 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 620, 628, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   42 ILE  HA           42 ILE  HN          3.30    (#    126:10  Unique         2.26, 2.59 A)
 &rst
  ixpk= 126, nxpk= 10, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:127     42 ILE  HN          2.60    (#    127:10  Single Ambig)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 632, 611, 612,
 &end
#
#    0 AMB  10-2:128     42 ILE  HN          6.00    (#    128:10  Single Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 638, 639, 651, 652,
 &end
#
#   41 ALA  MB           42 ILE  HN          6.00    (#    129:10  Unique         2.29, 3.78 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 622, 623, 624,
 &end
#
#   42 ILE  HG1+         42 ILE  HN          6.00    (#    130:10  Unique         2.32, 3.90 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 638, 639,
 &end
#
#    0 AMB  10-2:131     42 ILE  HN          6.00    (#    131:10  Single Ambig)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 634, 635, 636, 641, 642, 643,
 &end
#
#   15 THR  HA           16 TRP  HN          2.60    (#    132:10  Unique         2.24, 2.26 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   15 THR  HB           16 TRP  HN          3.30    (#    133:10  Unique         2.49, 2.55 A)
 &rst
  ixpk= 133, nxpk= 10, iat= 226, 236, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   16 TRP  HB+          16 TRP  HN          6.00    (#    134:10  Unique         2.87, 3.15 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 240, 241,
 &end
#
#    0 AMB  10-2:135     16 TRP  HN          3.30    (#    135:10  Single Ambig)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 240, 241, 102, 103,
 &end
#
#   15 THR  MG2          16 TRP  HN          6.00    (#    136:10  Unique         3.68, 4.42 A)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 228, 229, 230,
 &end
#
#   19 ARG  HB-          19 ARG  HN          3.30    (#    137:10  Unique         2.45, 3.10 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 282, 283,
 &end
#
#   19 ARG  HG+          19 ARG  HN          6.00    (#    138:10  Unique         2.26, 3.89 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 285, 286,
 &end
#
#   19 ARG  HA           19 ARG  HN          6.00    (#    139:10  Unique         2.87, 2.96 A)
 &rst
  ixpk= 139, nxpk= 10, iat= 280, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ARG  HB+          19 ARG  HN          6.00    (#    140:10  Unique         2.45, 3.10 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283,
 &end
#
#   10 PRO  HD+          11 ALA  HN          6.00    (#    141:10  Unique         2.71, 3.44 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 156, 157,
 &end
#
#    0 AMB  10-2:142     11 ALA  HN          2.60    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 156, 157, 171, 165,
 &end
#
#    0 AMB  10-2:143     11 ALA  HN          6.00    (#    143:10  Single Ambig)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 159, 160, 147, 148,
 &end
#
#   10 PRO  HB-          11 ALA  HN          6.00    (#    144:10  Unique         3.05, 4.07 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 162, 163,
 &end
#
#   11 ALA  MB           11 ALA  HN          2.60    (#    145:10  Unique         2.43, 2.85 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 173, 174, 175,
 &end
#
#   31 ALA  HA           31 ALA  HN          3.30    (#    148:10  Unique         2.78, 2.83 A)
 &rst
  ixpk= 148, nxpk= 10, iat= 466, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   30 PRO  HG+          31 ALA  HN          6.00    (#    149:10  Unique         3.30, 4.67 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 454, 455,
 &end
#
#   30 PRO  HB+          31 ALA  HN          6.00    (#    150:10  Unique         2.66, 3.55 A)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 457, 458,
 &end
#
#   31 ALA  MB           31 ALA  HN          2.60    (#    151:10  Unique         2.41, 2.84 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1= 468, 469, 470,
 &end
#
#   29 ASP  HA           29 ASP  HN          3.30    (#    152:10  Unique         2.88, 2.94 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 440, 438, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   28 ASN  HA           29 ASP  HN          6.00    (#    153:10  Unique         3.14, 3.54 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 426, 438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:154     29 ASP  HN          6.00    (#    154:10  Single Ambig)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452, 419, 420,
 &end
#
#   30 PRO  HD-          29 ASP  HN          6.00    (#    155:10  Unique         2.99, 3.83 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 451, 452,
 &end
#
#   29 ASP  HB+          29 ASP  HN          3.30    (#    156:10  Unique         2.81, 3.19 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 442, 443,
 &end
#
#   28 ASN  HB-          29 ASP  HN          6.00    (#    157:10  Unique         2.23, 3.47 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 428, 429,
 &end
#
#   29 ASP  HB-          29 ASP  HN          3.30    (#    158:10  Unique         2.81, 3.19 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 442, 443,
 &end
#
#   30 PRO  HD+          31 ALA  HN          6.00    (#    159:10  Unique         3.06, 3.80 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 451, 452,
 &end
#
#   28 ASN  HA           28 ASN  HN          6.00    (#    161:10  Unique         2.80, 2.93 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:162     28 ASN  HN          2.60    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1= 419, 420, 451, 452,
 &end
#
#   27 GLY  HA-          28 ASN  HN          3.30    (#    163:10  Unique         2.16, 3.04 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 419, 420,
 &end
#
#   28 ASN  HB-          28 ASN  HN          3.30    (#    164:10  Unique         2.44, 3.16 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 428, 429,
 &end
#
#    5 PRO  HA            7 TYR  HN          6.00    (#    166:10  Unique         3.80, 3.99 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  72,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 TYR  HA            7 TYR  HN          6.00    (#    167:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:168      7 TYR  HN          3.30    (#    168:10  Single Ambig)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 262,  78,
 &end
#
#    7 TYR  HB-           7 TYR  HN          3.30    (#    169:10  Unique         2.69, 3.28 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 102, 103,
 &end
#
#    6 LYS  HB+           7 TYR  HN          3.30    (#    170:10  Unique         2.93, 3.60 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  80,  81,
 &end
#
#   33 PHE  HA           33 PHE  HN          6.00    (#    172:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 172, nxpk= 10, iat= 486, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ALA  HA           33 PHE  HN          6.00    (#    173:10  Unique         3.48, 3.51 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 476, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 PHE  HB+          33 PHE  HN          6.00    (#    174:10  Unique         3.23, 3.56 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 488, 489,
 &end
#
#    0 AMB  10-2:175     33 PHE  HN          3.30    (#    175:10  Single Ambig)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 488, 489, 102, 103,
 &end
#
#   32 ALA  MB           33 PHE  HN          3.30    (#    176:10  Unique         2.83, 3.70 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 478, 479, 480,
 &end
#
#   25 TRP  HB+          25 TRP  HN          6.00    (#    177:10  Unique         2.68, 3.18 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   28 ASN  HB-          28 ASN  HD2+        6.00    (#    178:10  Unique         2.22, 3.25 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 428, 429,
 igr2= 433, 434,
 &end
#
#   25 TRP  HA           25 TRP  HN          6.00    (#    179:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HB-          25 TRP  HN          6.00    (#    180:10  Unique         2.68, 3.18 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   24 ALA  MB           25 TRP  HN          6.00    (#    181:10  Unique         2.69, 3.56 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 368, 369, 370,
 &end
#
#   28 ASN  HB-          28 ASN  HD2-        6.00    (#    182:10  Unique         2.22, 3.25 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 428, 429,
 igr2= 433, 434,
 &end
#
#   36 GLN  HG+          36 GLN  HE2+        6.00    (#    183:10  Unique         2.26, 3.34 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550,
 igr2= 554, 555,
 &end
#
#   36 GLN  HG+          36 GLN  HE2-        6.00    (#    184:10  Unique         2.26, 3.34 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550,
 igr2= 554, 555,
 &end
#
#   22 GLN  HG+          22 GLN  HE2+        6.00    (#    185:10  Unique         2.24, 3.26 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 340, 341,
 igr2= 345, 346,
 &end
#
#    0 AMB  10-2:186      0 AMB  10-1:186    6.00    (#    186:10  Double Ambig)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 340, 341, 337, 338,
 igr2= 345, 346, 345, 346,
 &end
#
#   22 GLN  HG+          22 GLN  HE2-        6.00    (#    187:10  Unique         2.24, 3.26 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 340, 341,
 igr2= 345, 346,
 &end
#
#   19 ARG  HA           20 GLY  HN          2.60    (#    189:10  Unique         2.16, 2.25 A)
 &rst
  ixpk= 189, nxpk= 10, iat= 280, 302, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   20 GLY  HA+          20 GLY  HN          3.30    (#    190:10  Unique         2.28, 2.61 A)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 304, 305,
 &end
#
#   20 GLY  HA-          20 GLY  HN          3.30    (#    191:10  Unique         2.28, 2.61 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 304, 305,
 &end
#
#   19 ARG  HB+          20 GLY  HN          6.00    (#    192:10  Unique         2.35, 3.63 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283,
 &end
#
#   12 THR  HA           13 GLY  HN          6.00    (#    193:10  Unique         3.44, 3.48 A)
 &rst
  ixpk= 193, nxpk= 10, iat= 181, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:194     13 GLY  HN          6.00    (#    194:10  Single Ambig)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 165, 171, 156, 157,
 &end
#
#   13 GLY  HA+          13 GLY  HN          2.60    (#    195:10  Unique         2.30, 2.63 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 195, 196,
 &end
#
#   13 GLY  HA-          13 GLY  HN          2.60    (#    196:10  Unique         2.30, 2.63 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1= 195, 196,
 &end
#
#   11 ALA  MB           13 GLY  HN          6.00    (#    197:10  Unique         4.69, 5.52 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 173, 174, 175,
 &end
#
#   16 TRP  HZ2          16 TRP  HE1         3.30    (#    198:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 198, nxpk= 10, iat= 249, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   16 TRP  HD1          16 TRP  HE1         3.30    (#    199:10  Unique         2.56, 2.57 A)
 &rst
  ixpk= 199, nxpk= 10, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   23 PRO  HB+          25 TRP  HE1         6.00    (#    200:10  Unique         2.58, 3.07 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 357, 358,
 &end
#
#   25 TRP  HD1          25 TRP  HE1         2.60    (#    201:10  Unique         2.56, 2.56 A)
 &rst
  ixpk= 201, nxpk= 10, iat= 382, 384, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   23 PRO  HB-          25 TRP  HE1         6.00    (#    202:10  Unique         2.58, 3.07 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 357, 358,
 &end
#
#    0 AMB  10-2:203     25 TRP  HE1         3.30    (#    203:10  Single Ambig)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 387, 374,
 &end
#
#    0 AMB  10-2:204     25 TRP  HE1         6.00    (#    204:10  Single Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 204, 205, 210, 211,
 &end
#
#   32 ALA  HN           31 ALA  HN          3.30    (#    205:10  Unique         2.58, 2.86 A)
 &rst
  ixpk= 205, nxpk= 10, iat= 474, 464, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   29 ASP  HN           28 ASN  HN          3.30    (#    206:10  Unique         2.24, 2.53 A)
 &rst
  ixpk= 206, nxpk= 10, iat= 438, 424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   13 GLY  HN           14 LYS  HN          3.30    (#    207:10  Unique         2.55, 2.63 A)
 &rst
  ixpk= 207, nxpk= 10, iat= 193, 200, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   16 TRP  HN            7 TYR  HN          6.00    (#    208:10  Unique         2.89, 2.94 A)
 &rst
  ixpk= 208, nxpk= 10, iat= 236,  98, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HB-          15 THR  HN          6.00    (#    213:10  Unique         2.81, 3.44 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 204, 205,
 &end
#
#    9 ASP  HB-           9 ASP  HN          6.00    (#    216:10  Unique         2.26, 2.46 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 147, 148,
 &end
#
#    8 ARG  HB-           9 ASP  HN          6.00    (#    217:10  Unique         4.25, 4.35 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 124,
 &end
#
#    0 AMB  10-2:218      9 ASP  HN          6.00    (#    218:10  Single Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 102, 103, 129, 130, 240, 241,
 &end
#
#   14 LYS  HN            9 ASP  HN          6.00    (#    220:10  Unique         3.91, 4.01 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 200, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:221     22 GLN  HN          6.00    (#    221:10  Single Ambig)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 249, 345, 346,
 &end
#
#   35 ILE  HG1+         36 GLN  HN          6.00    (#    225:10  Unique         4.34, 4.80 A)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   35 ILE  HG1-         36 GLN  HN          6.00    (#    226:10  Unique         4.34, 4.80 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   35 ILE  MD1          36 GLN  HN          6.00    (#    227:10  Unique         5.79, 6.38 A)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 536, 537, 538,
 &end
#
#   37 PRO  HD+          36 GLN  HN          6.00    (#    228:10  Unique         4.75, 4.97 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 560, 561,
 &end
#
#   35 ILE  HN           36 GLN  HN          6.00    (#    229:10  Unique         4.30, 4.50 A)
 &rst
  ixpk= 229, nxpk= 10, iat= 523, 542, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 LEU  HB-          43 LEU  HN          6.00    (#    231:10  Unique         2.24, 2.81 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 651, 652,
 &end
#
#   41 ALA  MB           43 LEU  HN          6.00    (#    232:10  Unique         3.68, 5.32 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 622, 623, 624,
 &end
#
#   42 ILE  HG1+         43 LEU  HN          6.00    (#    233:10  Unique         4.39, 5.18 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 638, 639,
 &end
#
#    6 LYS  HA           35 ILE  HN          6.00    (#    235:10  Unique         3.79, 3.89 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  78, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:237     35 ILE  HN          6.00    (#    237:10  Single Ambig)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 106, 115, 492, 500,
 &end
#
#   34 LEU  HN           35 ILE  HN          6.00    (#    238:10  Unique         4.51, 4.59 A)
 &rst
  ixpk= 238, nxpk= 10, iat= 504, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLN  HN           35 ILE  HN          6.00    (#    239:10  Unique         4.30, 4.50 A)
 &rst
  ixpk= 239, nxpk= 10, iat= 542, 523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:242      4 VAL  HN          6.00    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 264, 265,  63,  64,  25,  26,
 &end
#
#    3 THR  MG2           4 VAL  HN          6.00    (#    243:10  Unique         3.50, 4.46 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  38,  39,  40,
 &end
#
#   24 ALA  HA           24 ALA  HN          6.00    (#    244:10  Unique         2.78, 2.81 A)
 &rst
  ixpk= 244, nxpk= 10, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 PRO  HG+          41 ALA  HN          6.00    (#    248:10  Unique         4.54, 6.39 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 563, 564,
 &end
#
#   40 PRO  HD-          41 ALA  HN          6.00    (#    249:10  Unique         5.36, 5.56 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 605, 606,
 &end
#
#    0 AMB  10-2:252     39 LEU  HN          6.00    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 569, 614,
 &end
#
#   40 PRO  HD+          39 LEU  HN          6.00    (#    253:10  Unique         4.54, 4.88 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 605, 606,
 &end
#
#   40 PRO  HD-          39 LEU  HN          6.00    (#    254:10  Unique         4.54, 4.88 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 605, 606,
 &end
#
#    0 AMB  10-2:255     39 LEU  HN          6.00    (#    255:10  Single Ambig)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 566, 567, 546, 547,
 &end
#
#    0 AMB  10-2:256     39 LEU  HN          6.00    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 594, 595, 596, 598, 599, 600, 594, 595, 596, 598,
       599, 600,
 &end
#
#   38 ASP  HN           39 LEU  HN          6.00    (#    257:10  Unique         2.70, 2.88 A)
 &rst
  ixpk= 257, nxpk= 10, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 PHE  HB+          34 LEU  HN          6.00    (#    258:10  Unique         3.86, 4.45 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 488, 489,
 &end
#
#    0 AMB  10-2:259     34 LEU  HN          6.00    (#    259:10  Single Ambig)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 500, 106, 115,
 &end
#
#   33 PHE  HE           34 LEU  HN          6.00    (#    260:10  Unique         4.79, 6.08 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 494, 498,
 &end
#
#   33 PHE  HN           34 LEU  HN          2.60    (#    261:10  Unique         1.98, 2.22 A)
 &rst
  ixpk= 261, nxpk= 10, iat= 484, 504, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   26 LEU  HB+          27 GLY  HN          6.00    (#    262:10  Unique         2.43, 3.56 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   25 TRP  HA           27 GLY  HN          6.00    (#    263:10  Unique         3.59, 4.05 A)
 &rst
  ixpk= 263, nxpk= 10, iat= 376, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           27 GLY  HN          6.00    (#    264:10  Unique         2.41, 2.76 A)
 &rst
  ixpk= 264, nxpk= 10, iat= 398, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 ASN  HN           27 GLY  HN          6.00    (#    265:10  Unique         2.57, 3.60 A)
 &rst
  ixpk= 265, nxpk= 10, iat= 424, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:268     12 THR  HN          6.00    (#    268:10  Single Ambig)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 147, 148, 159, 160,
 &end
#
#   13 GLY  HA-          12 THR  HN          6.00    (#    269:10  Unique         4.22, 4.64 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 195, 196,
 &end
#
#    0 AMB  10-2:270     12 THR  HN          6.00    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 183, 195, 196,
 &end
#
#    0 AMB  10-2:271     12 THR  HN          6.00    (#    271:10  Single Ambig)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 171, 165, 156, 157,
 &end
#
#   12 THR  HA           12 THR  HN          6.00    (#    272:10  Unique         3.01, 3.01 A)
 &rst
  ixpk= 272, nxpk= 10, iat= 181, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 ALA  HN           12 THR  HN          6.00    (#    273:10  Unique         2.59, 2.63 A)
 &rst
  ixpk= 273, nxpk= 10, iat= 169, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 GLY  HN           12 THR  HN          3.30    (#    274:10  Unique         1.93, 2.10 A)
 &rst
  ixpk= 274, nxpk= 10, iat= 193, 179, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    8 ARG  HB+           8 ARG  HN          6.00    (#    283:10  Unique         2.83, 3.11 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 123, 124,
 &end
#
#    7 TYR  HB+           8 ARG  HN          6.00    (#    284:10  Unique         2.77, 3.42 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#   33 PHE  HB+           8 ARG  HN          6.00    (#    285:10  Unique         2.77, 3.63 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 488, 489,
 &end
#
#    7 TYR  HA            8 ARG  HN          6.00    (#    286:10  Unique         2.23, 2.26 A)
 &rst
  ixpk= 286, nxpk= 10, iat= 100, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HB-          26 LEU  HN          6.00    (#    287:10  Unique         2.06, 2.54 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   14 LYS  HE+          14 LYS  HN          6.00    (#    290:10  Unique         4.47, 5.17 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 213, 214,
 &end
#
#   35 ILE  MG2          38 ASP  HN          6.00    (#    296:10  Unique         4.53, 7.07 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 529, 530, 531,
 &end
#
#    0 AMB  10-2:297     38 ASP  HN          6.00    (#    297:10  Single Ambig)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 589, 590, 527,
 &end
#
#   36 GLN  HG+          38 ASP  HN          6.00    (#    298:10  Unique         2.58, 5.56 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 &end
#
#   36 GLN  HB+          38 ASP  HN          6.00    (#    299:10  Unique         2.64, 4.48 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 546, 547,
 &end
#
#   37 PRO  HD-          38 ASP  HN          6.00    (#    300:10  Unique         2.78, 4.43 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 560, 561,
 &end
#
#   39 LEU  HN           38 ASP  HN          6.00    (#    301:10  Unique         2.70, 2.88 A)
 &rst
  ixpk= 301, nxpk= 10, iat= 585, 573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 LYS  HG-           6 LYS  HN          6.00    (#    302:10  Unique         3.10, 4.48 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#    5 PRO  HB-           6 LYS  HN          6.00    (#    303:10  Unique         2.57, 3.05 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  69,  70,
 &end
#
#    5 PRO  HB+           6 LYS  HN          6.00    (#    304:10  Unique         2.57, 3.05 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  69,  70,
 &end
#
#    0 AMB  10-2:305      6 LYS  HN          6.00    (#    305:10  Single Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103, 240, 241,
 &end
#
#    0 AMB  10-2:306      6 LYS  HN          6.00    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 264, 265, 264, 265,
 &end
#
#   29 ASP  HB+          32 ALA  HN          6.00    (#    307:10  Unique         3.51, 4.68 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 443,
 &end
#
#    6 LYS  HG+           6 LYS  HN          6.00    (#    308:10  Unique         3.10, 4.48 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#    0 AMB  10-2:309      6 LYS  HN          6.00    (#    309:10  Single Ambig)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 106, 115, 255,
 &end
#
#    7 TYR  HN            6 LYS  HN          3.30    (#    310:10  Unique         1.84, 1.93 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  98,  76, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   33 PHE  HN           32 ALA  HN          3.30    (#    311:10  Unique         2.65, 2.73 A)
 &rst
  ixpk= 311, nxpk= 10, iat= 484, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   31 ALA  HN           32 ALA  HN          3.30    (#    312:10  Unique         2.58, 2.86 A)
 &rst
  ixpk= 312, nxpk= 10, iat= 464, 474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   43 LEU  HN           42 ILE  HN          3.30    (#    316:10  Unique         2.57, 3.18 A)
 &rst
  ixpk= 316, nxpk= 10, iat= 647, 628, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    8 ARG  HA           16 TRP  HN          6.00    (#    317:10  Unique         3.74, 3.84 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 121, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HH2          16 TRP  HN          6.00    (#    318:10  Unique         2.93, 3.11 A)
 &rst
  ixpk= 318, nxpk= 10, iat= 389, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:319     16 TRP  HN          6.00    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 387, 106, 115, 255,
 &end
#
#    7 TYR  HN           16 TRP  HN          6.00    (#    320:10  Unique         2.89, 2.94 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  98, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 LYS  HN           16 TRP  HN          6.00    (#    321:10  Unique         3.69, 3.75 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  76, 236, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 GLY  HA+          19 ARG  HN          6.00    (#    322:10  Unique         2.89, 3.31 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 273, 274,
 &end
#
#    0 AMB  10-2:323     19 ARG  HN          6.00    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 264, 265, 264, 265,
 &end
#
#   16 TRP  HE1          19 ARG  HN          6.00    (#    325:10  Unique         2.63, 3.09 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 246, 278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  MG2          11 ALA  HN          6.00    (#    326:10  Unique         4.51, 5.62 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 185, 186, 187,
 &end
#
#   12 THR  HN           11 ALA  HN          6.00    (#    328:10  Unique         2.59, 2.63 A)
 &rst
  ixpk= 328, nxpk= 10, iat= 179, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ALA  MB           31 ALA  HN          6.00    (#    331:10  Unique         4.60, 5.52 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 478, 479, 480,
 &end
#
#   30 PRO  HD-          31 ALA  HN          6.00    (#    332:10  Unique         3.06, 3.80 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 451, 452,
 &end
#
#   29 ASP  HB+          31 ALA  HN          6.00    (#    333:10  Unique         4.52, 5.11 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 443,
 &end
#
#   29 ASP  HA           31 ALA  HN          6.00    (#    334:10  Unique         3.58, 3.93 A)
 &rst
  ixpk= 334, nxpk= 10, iat= 440, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 GLY  HA-          29 ASP  HN          6.00    (#    335:10  Unique         3.30, 5.10 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 419, 420,
 &end
#
#   28 ASN  HN           29 ASP  HN          6.00    (#    337:10  Unique         2.24, 2.53 A)
 &rst
  ixpk= 337, nxpk= 10, iat= 424, 438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 ASN  HB+          28 ASN  HN          6.00    (#    342:10  Unique         2.44, 3.16 A)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 428, 429,
 &end
#
#   27 GLY  HN           28 ASN  HN          6.00    (#    343:10  Unique         2.57, 3.60 A)
 &rst
  ixpk= 343, nxpk= 10, iat= 417, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  MD1           7 TYR  HN          6.00    (#    349:10  Unique         3.31, 4.10 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 536, 537, 538,
 &end
#
#    6 LYS  HG-           7 TYR  HN          6.00    (#    350:10  Unique         4.19, 4.68 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  83,  84,
 &end
#
#    0 AMB  10-2:351      7 TYR  HN          6.00    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=  83,  84, 228, 229, 230, 273, 274,
 &end
#
#    5 PRO  HB-           7 TYR  HN          6.00    (#    352:10  Unique         2.76, 3.74 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  69,  70,
 &end
#
#   16 TRP  HB+           7 TYR  HN          6.00    (#    353:10  Unique         3.64, 4.68 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 240, 241,
 &end
#
#    0 AMB  10-2:354      7 TYR  HN          8.00    (#    354:10  Single Ambig)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 494, 498, 251,
 &end
#
#    0 AMB  10-2:355      7 TYR  HN          6.00    (#    355:10  Single Ambig)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 106, 115, 255,
 &end
#
#    6 LYS  HN            7 TYR  HN          2.60    (#    356:10  Unique         1.84, 1.93 A)
 &rst
  ixpk= 356, nxpk= 10, iat=  76,  98, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#    2 SER  HA            3 THR  HN          6.00    (#    357:10  Unique         2.34, 2.72 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  23,  32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 THR  HA            3 THR  HN          6.00    (#    358:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  34,  32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 THR  MG2           3 THR  HN          6.00    (#    359:10  Unique         2.39, 3.68 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  38,  39,  40,
 &end
#
#    4 VAL  HN            3 THR  HN          6.00    (#    360:10  Unique         4.42, 4.48 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  46,  32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  MDX          33 PHE  HN          6.00    (#    361:10  Unique         4.86, 7.13 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 407, 408, 409, 411, 412, 413,
 &end
#
#    0 AMB  10-2:362     33 PHE  HN          6.00    (#    362:10  Single Ambig)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 508, 509, 511,
 &end
#
#   31 ALA  HA           33 PHE  HN          6.00    (#    363:10  Unique         3.73, 4.03 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 466, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:364     33 PHE  HN          6.00    (#    364:10  Single Ambig)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 492, 500, 106, 115,
 &end
#
#   34 LEU  HN           33 PHE  HN          2.60    (#    365:10  Unique         1.98, 2.22 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 504, 484, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   25 TRP  HE3          33 PHE  HN          6.00    (#    366:10  Unique         5.82, 6.02 A)
 &rst
  ixpk= 366, nxpk= 10, iat= 393, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 ALA  HN           33 PHE  HN          3.30    (#    367:10  Unique         2.65, 2.73 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 474, 484, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   19 ARG  HN           16 TRP  HE1         6.00    (#    368:10  Unique         2.63, 3.09 A)
 &rst
  ixpk= 368, nxpk= 10, iat= 278, 246, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 PRO  HB-          25 TRP  HN          6.00    (#    369:10  Unique         2.90, 3.65 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 357, 358,
 &end
#
#   23 PRO  HB+          25 TRP  HN          6.00    (#    370:10  Unique         2.90, 3.65 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 357, 358,
 &end
#
#   24 ALA  HA           25 TRP  HN          6.00    (#    371:10  Unique         3.55, 3.59 A)
 &rst
  ixpk= 371, nxpk= 10, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           25 TRP  HN          6.00    (#    373:10  Unique         2.62, 2.73 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 398, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HD1          25 TRP  HN          6.00    (#    374:10  Unique         2.28, 2.45 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 382, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HE3          25 TRP  HN          6.00    (#    375:10  Unique         4.76, 4.96 A)
 &rst
  ixpk= 375, nxpk= 10, iat= 393, 374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HD-          25 TRP  HE1         6.00    (#    378:10  Unique         2.82, 3.33 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 210, 211,
 &end
#
#   23 PRO  HG+          25 TRP  HE1         6.00    (#    379:10  Unique         2.92, 3.79 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 354, 355,
 &end
#
#   25 TRP  HB-          25 TRP  HE1         6.00    (#    380:10  Unique         4.72, 4.99 A)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   23 PRO  HA           25 TRP  HE1         6.00    (#    381:10  Unique         4.83, 5.10 A)
 &rst
  ixpk= 381, nxpk= 10, iat= 360, 384, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HB-          22 GLN  HE2+        6.00    (#    383:10  Unique         2.51, 4.87 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 345, 346,
 &end
#
#   26 LEU  HB+          22 GLN  HE2+        6.00    (#    384:10  Unique         2.51, 4.87 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 402, 403,
 igr2= 345, 346,
 &end
#
#   22 GLN  HB+          22 GLN  HE2+        6.00    (#    385:10  Unique         2.85, 4.26 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 337, 338,
 igr2= 345, 346,
 &end
#
#    0 AMB  10-2:386     22 GLN  HE2-        6.00    (#    386:10  Single Ambig)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 340, 341, 337, 338,
 igr2= 345, 346,
 &end
#
#   30 PRO  HG-          22 GLN  HE2-        6.00    (#    388:10  Unique         2.97, 5.31 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 454, 455,
 igr2= 345, 346,
 &end
#
#   30 PRO  HD-          22 GLN  HE2-        6.00    (#    389:10  Unique         4.63, 6.76 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452,
 igr2= 345, 346,
 &end
#
#    0 AMB  10-2:390     22 GLN  HE2-        6.00    (#    390:10  Single Ambig)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 366, 451, 452,
 igr2= 345, 346,
 &end
#
#   19 ARG  HG+          20 GLY  HN          6.00    (#    391:10  Unique         2.58, 4.08 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 285, 286,
 &end
#
#   19 ARG  HB-          20 GLY  HN          6.00    (#    392:10  Unique         2.35, 3.63 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 282, 283,
 &end
#
#   12 THR  MG2          13 GLY  HN          6.00    (#    393:10  Unique         4.63, 5.15 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 185, 186, 187,
 &end
#
#    9 ASP  HB+          13 GLY  HN          6.00    (#    394:10  Unique         3.07, 4.03 A)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 147, 148,
 &end
#
#   12 THR  HN           13 GLY  HN          2.60    (#    395:10  Unique         1.93, 2.10 A)
 &rst
  ixpk= 395, nxpk= 10, iat= 179, 193, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   14 LYS  HN           13 GLY  HN          6.00    (#    396:10  Unique         2.55, 2.63 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 200, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 ALA  HN           13 GLY  HN          6.00    (#    397:10  Unique         3.83, 3.90 A)
 &rst
  ixpk= 397, nxpk= 10, iat= 169, 193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:398      7 TYR  HN          3.30    (#    398:10  Single Ambig)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 102, 103, 240, 241,
 &end
#
#    8 ARG  HA            8 ARG  HN          6.00    (#    399:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 399, nxpk= 10, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 LEU  HB-          34 LEU  HN          3.30    (#    400:10  Unique         2.02, 2.62 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 508, 509,
 &end
#
#   39 LEU  HG           39 LEU  HN          6.00    (#    401:10  Unique         3.44, 3.90 A)
 &rst
  ixpk= 401, nxpk= 10, iat= 592, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 PRO  HB+          24 ALA  HN          6.00    (#    402:10  Unique         2.74, 3.24 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 357, 358,
 &end
#
#   26 LEU  HA           26 LEU  HN          6.00    (#    403:10  Unique         2.82, 2.87 A)
 &rst
  ixpk= 403, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 TRP  HA           26 LEU  HN          6.00    (#    404:10  Unique         3.41, 3.49 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 376, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 GLY  HN           26 LEU  HN          6.00    (#    405:10  Unique         2.41, 2.76 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 417, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:406      9 ASP  HN          6.00    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 156, 157, 226,
 &end
#
#    0 AMB  10-2:407      9 ASP  HN          6.00    (#    407:10  Single Ambig)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 143, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 156, 157, 165,
 &end
#
#   25 TRP  HH2           9 ASP  HN          6.00    (#    408:10  Unique         3.12, 3.36 A)
 &rst
  ixpk= 408, nxpk= 10, iat= 389, 143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 GLN  HE2-         27 GLY  HN          6.00    (#    409:10  Unique         3.63, 5.70 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 345, 346,
 &end
#
#    0 AMB  10-2:410     32 ALA  HN          6.00    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 451, 452, 488, 489,
 &end
#
#   29 ASP  HB-          32 ALA  HN          6.00    (#    411:10  Unique         3.51, 4.68 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 442, 443,
 &end
#
#   31 ALA  HN           33 PHE  HN          6.00    (#    412:10  Unique         4.49, 4.67 A)
 &rst
  ixpk= 412, nxpk= 10, iat= 464, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 PRO  HB+          39 LEU  HN          6.00    (#    413:10  Unique         2.84, 3.99 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 566, 567,
 &end
#
#   42 ILE  HN           41 ALA  HN          6.00    (#    414:10  Unique         2.35, 3.78 A)
 &rst
  ixpk= 414, nxpk= 10, iat= 628, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 ILE  HN           43 LEU  HN          6.00    (#    415:10  Unique         2.57, 3.18 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 628, 647, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET  71           H1       MET  71  -2.708   8.043   7.753
    2    H2   MET  71           H2       MET  71  -3.733   7.491   8.906
    3    H3   MET  71           H3       MET  71  -2.855   6.438   8.014
    4    HA   MET  71           HA       MET  71  -4.023   7.052   5.995
    5    HB2  MET  71           HB2      MET  71  -4.855   5.147   7.359
    6    HB3  MET  71           HB3      MET  71  -5.925   6.238   8.246
    7    HG2  MET  71           HG2      MET  71  -7.147   6.750   6.152
    8    HG3  MET  71           HG3      MET  71  -6.033   5.716   5.245
    9    HE1  MET  71           HE1      MET  71  -8.151   4.497   4.185
   10    HE2  MET  71           HE2      MET  71  -9.431   3.728   5.151
   11    HE3  MET  71           HE3      MET  71  -9.259   5.495   5.154
   12    H    SER  72           H        SER  72  -4.799   8.794   4.931
   13    HA   SER  72           HA       SER  72  -6.501  10.803   6.363
   14    HB2  SER  72           HB2      SER  72  -5.174  12.558   5.236
   15    HB3  SER  72           HB3      SER  72  -4.202  11.564   6.329
   16    HG   SER  72           HG       SER  72  -3.149  11.884   4.305
   17    H    THR  73           H        THR  73  -6.593   8.683   3.831
   18    HA   THR  73           HA       THR  73  -8.599  10.275   2.298
   19    HB   THR  73           HB       THR  73  -7.808   9.597   0.240
   20    HG1  THR  73           HG1      THR  73  -5.772   8.541   0.009
   21   HG21  THR  73          HG21      THR  73  -5.452  10.852   1.704
   22   HG22  THR  73          HG22      THR  73  -5.787  10.930  -0.032
   23   HG23  THR  73          HG23      THR  73  -6.886  11.722   1.109
   24    H    VAL  74           H        VAL  74  -9.912   8.861   0.841
   25    HA   VAL  74           HA       VAL  74 -10.070   6.023   1.613
   26    HB   VAL  74           HB       VAL  74 -11.457   7.072   3.220
   27   HG11  VAL  74          HG11      VAL  74 -12.060   9.192   2.061
   28   HG12  VAL  74          HG12      VAL  74 -13.135   8.284   0.972
   29   HG13  VAL  74          HG13      VAL  74 -13.480   8.370   2.711
   30   HG21  VAL  74          HG21      VAL  74 -12.276   4.937   2.515
   31   HG22  VAL  74          HG22      VAL  74 -13.620   6.002   2.901
   32   HG23  VAL  74          HG23      VAL  74 -13.234   5.681   1.202
   33    HA   PRO  75           HA       PRO  75 -10.836   5.404  -2.762
   34    HB2  PRO  75           HB2      PRO  75 -12.796   3.380  -1.708
   35    HB3  PRO  75           HB3      PRO  75 -11.643   3.247  -3.083
   36    HG2  PRO  75           HG2      PRO  75 -11.028   2.165  -0.681
   37    HG3  PRO  75           HG3      PRO  75  -9.787   3.094  -1.585
   38    HD2  PRO  75           HD2      PRO  75 -11.473   4.001   0.749
   39    HD3  PRO  75           HD3      PRO  75  -9.753   4.318   0.415
   40    H    LYS  76           H        LYS  76 -12.259   5.821  -4.371
   41    HA   LYS  76           HA       LYS  76 -14.970   6.907  -3.718
   42    HB2  LYS  76           HB2      LYS  76 -13.339   8.676  -4.005
   43    HB3  LYS  76           HB3      LYS  76 -13.007   8.160  -5.673
   44    HG2  LYS  76           HG2      LYS  76 -15.341   8.648  -6.289
   45    HG3  LYS  76           HG3      LYS  76 -15.744   9.005  -4.604
   46    HD2  LYS  76           HD2      LYS  76 -14.211  10.945  -4.617
   47    HD3  LYS  76           HD3      LYS  76 -13.684  10.539  -6.246
   48    HE2  LYS  76           HE2      LYS  76 -15.209  12.320  -6.519
   49    HE3  LYS  76           HE3      LYS  76 -16.046  10.869  -7.070
   50    HZ1  LYS  76           HZ1      LYS  76 -16.409  12.156  -4.395
   51    HZ2  LYS  76           HZ2      LYS  76 -17.458  12.265  -5.637
   52    HZ3  LYS  76           HZ3      LYS  76 -17.226  10.828  -4.903
   53    H    TYR  77           H        TYR  77 -12.990   5.125  -6.034
   54    HA   TYR  77           HA       TYR  77 -15.477   4.212  -7.432
   55    HB2  TYR  77           HB2      TYR  77 -12.858   4.916  -8.806
   56    HB3  TYR  77           HB3      TYR  77 -14.350   4.412  -9.567
   57    HD1  TYR  77           HD2      TYR  77 -12.590   7.174  -7.853
   58    HD2  TYR  77           HD1      TYR  77 -16.115   6.044 -10.068
   59    HE1  TYR  77           HE2      TYR  77 -13.097   9.573  -8.291
   60    HE2  TYR  77           HE1      TYR  77 -16.601   8.428 -10.521
   61    HH   TYR  77           HH       TYR  77 -15.938  10.627 -10.202
   62    H    ARG  78           H        ARG  78 -15.371   2.100  -8.299
   63    HA   ARG  78           HA       ARG  78 -12.872   0.554  -8.064
   64    HB2  ARG  78           HB2      ARG  78 -14.086   0.259  -5.886
   65    HB3  ARG  78           HB3      ARG  78 -15.430  -0.477  -6.767
   66    HG2  ARG  78           HG2      ARG  78 -13.957  -2.286  -7.573
   67    HG3  ARG  78           HG3      ARG  78 -12.552  -1.467  -6.892
   68    HD2  ARG  78           HD2      ARG  78 -13.699  -1.709  -4.598
   69    HD3  ARG  78           HD3      ARG  78 -14.819  -2.820  -5.414
   70    HE   ARG  78           HE       ARG  78 -12.013  -3.450  -5.930
   71   HH11  ARG  78          HH11      ARG  78 -14.486  -3.963  -3.492
   72   HH12  ARG  78          HH12      ARG  78 -13.661  -5.349  -2.829
   73   HH21  ARG  78          HH21      ARG  78 -11.024  -5.177  -5.058
   74   HH22  ARG  78          HH22      ARG  78 -11.733  -6.028  -3.716
   75    H    ASP  79           H        ASP  79 -12.529  -0.349  -9.916
   76    HA   ASP  79           HA       ASP  79 -14.378  -0.528 -12.073
   77    HB2  ASP  79           HB2      ASP  79 -12.023  -0.281 -12.461
   78    HB3  ASP  79           HB3      ASP  79 -11.651  -1.737 -11.549
   79    HA   PRO  80           HA       PRO  80 -16.146  -4.466 -10.604
   80    HB2  PRO  80           HB2      PRO  80 -18.084  -4.857 -12.508
   81    HB3  PRO  80           HB3      PRO  80 -18.214  -3.647 -11.197
   82    HG2  PRO  80           HG2      PRO  80 -17.284  -3.201 -14.048
   83    HG3  PRO  80           HG3      PRO  80 -18.502  -2.266 -13.121
   84    HD2  PRO  80           HD2      PRO  80 -15.929  -1.430 -13.323
   85    HD3  PRO  80           HD3      PRO  80 -16.837  -1.246 -11.791
   86    H    ALA  81           H        ALA  81 -14.635  -4.002 -13.760
   87    HA   ALA  81           HA       ALA  81 -14.857  -6.759 -14.634
   88    HB1  ALA  81           HB1      ALA  81 -14.718  -4.840 -16.175
   89    HB2  ALA  81           HB2      ALA  81 -13.080  -4.476 -15.592
   90    HB3  ALA  81           HB3      ALA  81 -13.395  -5.998 -16.453
   91    H    THR  82           H        THR  82 -12.354  -4.922 -12.905
   92    HA   THR  82           HA       THR  82 -10.676  -7.410 -12.617
   93    HB   THR  82           HB       THR  82  -8.764  -6.099 -12.631
   94    HG1  THR  82           HG1      THR  82 -10.482  -3.896 -13.171
   95   HG21  THR  82          HG21      THR  82 -10.436  -5.350 -15.045
   96   HG22  THR  82          HG22      THR  82  -8.673  -5.575 -14.959
   97   HG23  THR  82          HG23      THR  82  -9.768  -6.965 -14.718
   98    H    GLY  83           H        GLY  83 -12.282  -4.896 -10.792
   99    HA2  GLY  83           HA2      GLY  83 -12.578  -4.865  -8.492
  100    HA3  GLY  83           HA3      GLY  83 -11.229  -5.974  -8.262
  101    H    LYS  84           H        LYS  84 -10.049  -3.589 -10.264
  102    HA   LYS  84           HA       LYS  84  -8.311  -2.370  -8.344
  103    HB2  LYS  84           HB2      LYS  84  -9.091  -1.638 -11.192
  104    HB3  LYS  84           HB3      LYS  84  -7.868  -0.757 -10.266
  105    HG2  LYS  84           HG2      LYS  84  -6.580  -2.816  -9.914
  106    HG3  LYS  84           HG3      LYS  84  -7.770  -3.756 -10.824
  107    HD2  LYS  84           HD2      LYS  84  -7.338  -2.360 -12.848
  108    HD3  LYS  84           HD3      LYS  84  -6.078  -1.477 -11.947
  109    HE2  LYS  84           HE2      LYS  84  -4.865  -3.628 -11.575
  110    HE3  LYS  84           HE3      LYS  84  -6.111  -4.485 -12.491
  111    HZ1  LYS  84           HZ1      LYS  84  -4.193  -3.959 -13.894
  112    HZ2  LYS  84           HZ2      LYS  84  -5.499  -3.157 -14.451
  113    HZ3  LYS  84           HZ3      LYS  84  -4.342  -2.363 -13.605
  114    H    THR  85           H        THR  85  -8.213  -0.301  -7.483
  115    HA   THR  85           HA       THR  85 -10.806   1.195  -7.285
  116    HB   THR  85           HB       THR  85 -10.012   1.794  -4.960
  117    HG1  THR  85           HG1      THR  85  -8.444   0.406  -4.052
  118   HG21  THR  85          HG21      THR  85 -10.512  -1.161  -5.484
  119   HG22  THR  85          HG22      THR  85 -10.681  -0.332  -3.920
  120   HG23  THR  85          HG23      THR  85 -11.741   0.110  -5.264
  121    H    TRP  86           H        TRP  86 -10.748   3.413  -6.777
  122    HA   TRP  86           HA       TRP  86  -8.203   4.865  -6.798
  123    HB2  TRP  86           HB2      TRP  86  -8.726   4.662  -9.197
  124    HB3  TRP  86           HB3      TRP  86 -10.309   5.383  -8.930
  125    HD1  TRP  86           HD1      TRP  86  -6.648   6.449  -8.091
  126    HE1  TRP  86           HE1      TRP  86  -6.392   8.962  -8.572
  127    HE3  TRP  86           HE3      TRP  86 -11.316   7.405  -9.937
  128    HZ2  TRP  86           HZ2      TRP  86  -7.992  11.097  -9.664
  129    HZ3  TRP  86           HZ3      TRP  86 -11.943   9.697 -10.657
  130    HH2  TRP  86           HH2      TRP  86 -10.329  11.550 -10.448
  131    H    SER  87           H        SER  87  -8.530   7.189  -6.228
  132    HA   SER  87           HA       SER  87 -10.884   7.493  -4.380
  133    HB2  SER  87           HB2      SER  87  -8.027   8.302  -3.826
  134    HB3  SER  87           HB3      SER  87  -9.403   8.228  -2.699
  135    HG   SER  87           HG       SER  87  -7.892   6.399  -2.601
  136    H    GLY  88           H        GLY  88 -10.130   8.968  -7.097
  137    HA2  GLY  88           HA2      GLY  88 -10.848  11.063  -7.847
  138    HA3  GLY  88           HA3      GLY  88 -11.280  11.497  -6.206
  139    H    ARG  89           H        ARG  89  -7.996  10.475  -6.582
  140    HA   ARG  89           HA       ARG  89  -6.932  13.269  -6.711
  141    HB2  ARG  89           HB2      ARG  89  -6.340  11.196  -4.544
  142    HB3  ARG  89           HB3      ARG  89  -5.427  12.692  -4.775
  143    HG2  ARG  89           HG2      ARG  89  -7.469  14.033  -4.348
  144    HG3  ARG  89           HG3      ARG  89  -8.399  12.546  -4.088
  145    HD2  ARG  89           HD2      ARG  89  -6.935  11.920  -2.214
  146    HD3  ARG  89           HD3      ARG  89  -5.971  13.378  -2.442
  147    HE   ARG  89           HE       ARG  89  -8.713  13.169  -1.329
  148   HH11  ARG  89          HH11      ARG  89  -6.212  15.424  -2.336
  149   HH12  ARG  89          HH12      ARG  89  -6.930  16.746  -1.454
  150   HH21  ARG  89          HH21      ARG  89  -9.562  14.903  -0.229
  151   HH22  ARG  89          HH22      ARG  89  -8.781  16.453  -0.312
  152    H    GLY  90           H        GLY  90  -4.699  13.433  -7.244
  153    HA2  GLY  90           HA2      GLY  90  -2.824  12.900  -8.512
  154    HA3  GLY  90           HA3      GLY  90  -3.085  11.201  -8.130
  155    H    ARG  91           H        ARG  91  -2.285  11.003 -10.404
  156    HA   ARG  91           HA       ARG  91  -3.770  11.777 -12.707
  157    HB2  ARG  91           HB2      ARG  91  -1.494  11.044 -12.752
  158    HB3  ARG  91           HB3      ARG  91  -1.974   9.396 -12.296
  159    HG2  ARG  91           HG2      ARG  91  -1.579   9.375 -14.639
  160    HG3  ARG  91           HG3      ARG  91  -3.332   9.312 -14.440
  161    HD2  ARG  91           HD2      ARG  91  -3.461  11.756 -14.925
  162    HD3  ARG  91           HD3      ARG  91  -1.696  11.793 -15.112
  163    HE   ARG  91           HE       ARG  91  -2.801   9.792 -16.839
  164   HH11  ARG  91          HH11      ARG  91  -2.602  13.293 -16.657
  165   HH12  ARG  91          HH12      ARG  91  -2.759  13.479 -18.382
  166   HH21  ARG  91          HH21      ARG  91  -3.006  10.107 -19.033
  167   HH22  ARG  91          HH22      ARG  91  -2.971  11.718 -19.688
  168    H    GLN  92           H        GLN  92  -5.622  11.121 -13.527
  169    HA   GLN  92           HA       GLN  92  -7.373   9.285 -12.223
  170    HB2  GLN  92           HB2      GLN  92  -8.012  11.332 -13.484
  171    HB3  GLN  92           HB3      GLN  92  -7.558  10.524 -14.999
  172    HG2  GLN  92           HG2      GLN  92  -9.259   8.764 -14.513
  173    HG3  GLN  92           HG3      GLN  92  -9.704   9.631 -13.036
  174   HE21  GLN  92          HE22      GLN  92  -9.746   9.778 -16.630
  175   HE22  GLN  92          HE21      GLN  92 -10.980  11.024 -16.700
  176    HA   PRO  93           HA       PRO  93  -6.089   5.429 -14.288
  177    HB2  PRO  93           HB2      PRO  93  -8.911   4.549 -13.789
  178    HB3  PRO  93           HB3      PRO  93  -7.362   3.748 -13.371
  179    HG2  PRO  93           HG2      PRO  93  -8.909   5.016 -11.506
  180    HG3  PRO  93           HG3      PRO  93  -7.113   5.039 -11.426
  181    HD2  PRO  93           HD2      PRO  93  -8.986   7.191 -12.388
  182    HD3  PRO  93           HD3      PRO  93  -7.463   7.319 -11.452
  183    H    ALA  94           H        ALA  94  -6.518   4.213 -16.229
  184    HA   ALA  94           HA       ALA  94  -7.749   5.610 -18.399
  185    HB1  ALA  94           HB1      ALA  94  -5.868   4.059 -18.661
  186    HB2  ALA  94           HB2      ALA  94  -6.888   2.693 -18.152
  187    HB3  ALA  94           HB3      ALA  94  -7.243   3.553 -19.664
  188    H    TRP  95           H        TRP  95  -8.944   2.822 -16.453
  189    HA   TRP  95           HA       TRP  95 -11.365   2.383 -17.906
  190    HB2  TRP  95           HB2      TRP  95 -12.114   1.213 -15.836
  191    HB3  TRP  95           HB3      TRP  95 -10.576   0.673 -16.487
  192    HD1  TRP  95           HD1      TRP  95  -8.432   0.990 -15.016
  193    HE1  TRP  95           HE1      TRP  95  -8.075   1.400 -12.511
  194    HE3  TRP  95           HE3      TRP  95 -13.210   2.403 -13.718
  195    HZ2  TRP  95           HZ2      TRP  95  -9.633   2.210 -10.244
  196    HZ3  TRP  95           HZ3      TRP  95 -13.730   2.919 -11.360
  197    HH2  TRP  95           HH2      TRP  95 -11.965   2.835  -9.628
  198    H    LEU  96           H        LEU  96 -10.599   4.844 -15.550
  199    HA   LEU  96           HA       LEU  96 -13.245   5.613 -14.823
  200    HB2  LEU  96           HB2      LEU  96 -10.628   6.352 -14.153
  201    HB3  LEU  96           HB3      LEU  96 -11.215   7.756 -15.015
  202    HG   LEU  96           HG       LEU  96 -11.489   8.031 -12.653
  203   HD11  LEU  96          HD11      LEU  96 -13.853   8.541 -12.429
  204   HD12  LEU  96          HD12      LEU  96 -13.244   9.034 -14.014
  205   HD13  LEU  96          HD13      LEU  96 -14.226   7.566 -13.867
  206   HD21  LEU  96          HD21      LEU  96 -13.064   5.431 -12.677
  207   HD22  LEU  96          HD22      LEU  96 -11.520   5.756 -11.888
  208   HD23  LEU  96          HD23      LEU  96 -12.992   6.560 -11.314
  209    H    GLY  97           H        GLY  97 -11.385   6.202 -17.732
  210    HA2  GLY  97           HA2      GLY  97 -12.679   8.661 -18.530
  211    HA3  GLY  97           HA3      GLY  97 -11.490   7.729 -19.438
  212    H    ASN  98           H        ASN  98 -14.797   6.865 -18.306
  213    HA   ASN  98           HA       ASN  98 -15.778   6.814 -21.111
  214    HB2  ASN  98           HB2      ASN  98 -14.841   4.565 -20.778
  215    HB3  ASN  98           HB3      ASN  98 -15.784   4.356 -19.305
  216   HD21  ASN  98          HD22      ASN  98 -17.279   2.763 -19.845
  217   HD22  ASN  98          HD21      ASN  98 -18.313   2.853 -21.263
  218    H    ASP  99           H        ASP  99 -16.888   5.788 -17.813
  219    HA   ASP  99           HA       ASP  99 -19.062   7.770 -17.877
  220    HB2  ASP  99           HB2      ASP  99 -20.005   5.941 -19.212
  221    HB3  ASP  99           HB3      ASP  99 -19.666   4.792 -17.920
  222    HA   PRO 100           HA       PRO 100 -16.880   7.137 -13.843
  223    HB2  PRO 100           HB2      PRO 100 -18.305   9.739 -13.401
  224    HB3  PRO 100           HB3      PRO 100 -16.679   9.194 -12.856
  225    HG2  PRO 100           HG2      PRO 100 -16.914  10.766 -15.055
  226    HG3  PRO 100           HG3      PRO 100 -15.783   9.376 -15.050
  227    HD2  PRO 100           HD2      PRO 100 -18.522   9.563 -16.297
  228    HD3  PRO 100           HD3      PRO 100 -17.036   8.781 -16.917
  229    H    ALA 101           H        ALA 101 -20.356   7.886 -14.212
  230    HA   ALA 101           HA       ALA 101 -21.150   7.265 -11.559
  231    HB1  ALA 101           HB1      ALA 101 -23.414   7.212 -12.533
  232    HB2  ALA 101           HB2      ALA 101 -22.487   8.599 -13.140
  233    HB3  ALA 101           HB3      ALA 101 -22.719   7.163 -14.168
  234    H    ALA 102           H        ALA 102 -20.336   5.079 -14.204
  235    HA   ALA 102           HA       ALA 102 -22.051   2.909 -13.492
  236    HB1  ALA 102           HB1      ALA 102 -19.418   2.923 -15.029
  237    HB2  ALA 102           HB2      ALA 102 -20.646   1.638 -15.054
  238    HB3  ALA 102           HB3      ALA 102 -21.027   3.241 -15.713
  239    H    PHE 103           H        PHE 103 -18.899   3.817 -12.228
  240    HA   PHE 103           HA       PHE 103 -18.788   1.359 -10.530
  241    HB2  PHE 103           HB2      PHE 103 -16.268   1.471 -11.070
  242    HB3  PHE 103           HB3      PHE 103 -17.373   0.862 -12.280
  243    HD1  PHE 103           HD1      PHE 103 -15.998   4.193 -11.225
  244    HD2  PHE 103           HD2      PHE 103 -16.991   1.557 -14.481
  245    HE1  PHE 103           HE1      PHE 103 -15.337   5.935 -12.819
  246    HE2  PHE 103           HE2      PHE 103 -16.277   3.294 -16.100
  247    HZ   PHE 103           HZ       PHE 103 -15.485   5.505 -15.282
  248    H    LEU 104           H        LEU 104 -19.522   4.307  -9.938
  249    HA   LEU 104           HA       LEU 104 -17.619   5.232  -7.944
  250    HB2  LEU 104           HB2      LEU 104 -20.464   5.815  -8.676
  251    HB3  LEU 104           HB3      LEU 104 -19.957   6.202  -7.041
  252    HG   LEU 104           HG       LEU 104 -18.477   7.212  -9.476
  253   HD11  LEU 104          HD11      LEU 104 -20.569   8.637  -7.775
  254   HD12  LEU 104          HD12      LEU 104 -19.647   9.345  -9.122
  255   HD13  LEU 104          HD13      LEU 104 -20.820   8.058  -9.432
  256   HD21  LEU 104          HD21      LEU 104 -18.422   8.011  -6.525
  257   HD22  LEU 104          HD22      LEU 104 -17.087   7.335  -7.487
  258   HD23  LEU 104          HD23      LEU 104 -17.667   8.953  -7.833
  259    H    ILE 105           H        ILE 105 -17.463   4.841  -5.825
  260    HA   ILE 105           HA       ILE 105 -18.793   2.465  -4.652
  261    HB   ILE 105           HB       ILE 105 -16.695   4.394  -3.562
  262   HG12  ILE 105          HG12      ILE 105 -16.436   1.447  -4.323
  263   HG13  ILE 105          HG13      ILE 105 -16.002   2.776  -5.391
  264   HG21  ILE 105          HG21      ILE 105 -17.867   1.878  -2.274
  265   HG22  ILE 105          HG22      ILE 105 -16.502   2.827  -1.645
  266   HG23  ILE 105          HG23      ILE 105 -18.093   3.548  -1.696
  267   HD11  ILE 105          HD11      ILE 105 -13.966   2.124  -4.365
  268   HD12  ILE 105          HD12      ILE 105 -14.466   3.639  -3.580
  269   HD13  ILE 105          HD13      ILE 105 -14.687   2.081  -2.750
  270    H    GLN 106           H        GLN 106 -20.448   2.571  -3.260
  271    HA   GLN 106           HA       GLN 106 -21.559   5.215  -2.405
  272    HB2  GLN 106           HB2      GLN 106 -23.009   2.871  -3.704
  273    HB3  GLN 106           HB3      GLN 106 -23.830   4.227  -2.943
  274    HG2  GLN 106           HG2      GLN 106 -22.691   5.798  -4.524
  275    HG3  GLN 106           HG3      GLN 106 -21.981   4.418  -5.365
  276   HE21  GLN 106          HE22      GLN 106 -24.317   6.604  -5.882
  277   HE22  GLN 106          HE21      GLN 106 -25.514   5.585  -6.661
  278    HA   PRO 107           HA       PRO 107 -22.148   3.213   1.534
  279    HB2  PRO 107           HB2      PRO 107 -23.967   4.805   2.764
  280    HB3  PRO 107           HB3      PRO 107 -22.350   5.393   2.279
  281    HG2  PRO 107           HG2      PRO 107 -24.950   5.690   0.735
  282    HG3  PRO 107           HG3      PRO 107 -23.777   6.971   1.184
  283    HD2  PRO 107           HD2      PRO 107 -23.726   5.753  -1.255
  284    HD3  PRO 107           HD3      PRO 107 -22.221   6.248  -0.422
  285    H    ASP 108           H        ASP 108 -23.095   1.451  -0.066
  286    HA   ASP 108           HA       ASP 108 -25.760   0.783  -0.191
  287    HB2  ASP 108           HB2      ASP 108 -23.891  -0.297  -1.399
  288    HB3  ASP 108           HB3      ASP 108 -23.393  -1.085   0.096
  289    H    LEU 109           H        LEU 109 -23.731   0.602   2.592
  290    HA   LEU 109           HA       LEU 109 -25.968  -0.178   4.285
  291    HB2  LEU 109           HB2      LEU 109 -23.136  -1.285   4.410
  292    HB3  LEU 109           HB3      LEU 109 -24.241  -1.401   5.774
  293    HG   LEU 109           HG       LEU 109 -24.755  -2.650   3.033
  294   HD11  LEU 109          HD11      LEU 109 -22.852  -3.692   4.223
  295   HD12  LEU 109          HD12      LEU 109 -23.878  -3.936   5.651
  296   HD13  LEU 109          HD13      LEU 109 -24.245  -4.780   4.131
  297   HD21  LEU 109          HD21      LEU 109 -26.205  -2.957   5.707
  298   HD22  LEU 109          HD22      LEU 109 -26.857  -2.197   4.239
  299   HD23  LEU 109          HD23      LEU 109 -26.512  -3.924   4.248
  300    HA   PRO 110           HA       PRO 110 -25.018   3.454   6.604
  301    HB2  PRO 110           HB2      PRO 110 -24.953   1.783   9.096
  302    HB3  PRO 110           HB3      PRO 110 -25.823   3.318   8.747
  303    HG2  PRO 110           HG2      PRO 110 -27.150   0.943   8.713
  304    HG3  PRO 110           HG3      PRO 110 -27.480   2.189   7.471
  305    HD2  PRO 110           HD2      PRO 110 -25.752  -0.279   7.244
  306    HD3  PRO 110           HD3      PRO 110 -26.916   0.402   6.070
  307    H    ALA 111           H        ALA 111 -23.291   4.639   7.343
  308    HA   ALA 111           HA       ALA 111 -20.670   3.390   7.514
  309    HB1  ALA 111           HB1      ALA 111 -19.870   5.719   7.567
  310    HB2  ALA 111           HB2      ALA 111 -21.096   5.530   6.303
  311    HB3  ALA 111           HB3      ALA 111 -21.528   6.304   7.846
  312    H    ILE 112           H        ILE 112 -22.340   2.526   9.515
  313    HA   ILE 112           HA       ILE 112 -20.836   3.076  11.973
  314    HB   ILE 112           HB       ILE 112 -22.994   3.299  13.327
  315   HG12  ILE 112          HG12      ILE 112 -24.252   4.185  10.695
  316   HG13  ILE 112          HG13      ILE 112 -24.520   2.578  11.392
  317   HG21  ILE 112          HG21      ILE 112 -21.430   5.196  12.803
  318   HG22  ILE 112          HG22      ILE 112 -22.498   5.628  11.444
  319   HG23  ILE 112          HG23      ILE 112 -23.099   5.687  13.113
  320   HD11  ILE 112          HD11      ILE 112 -26.376   4.001  11.978
  321   HD12  ILE 112          HD12      ILE 112 -25.448   3.650  13.449
  322   HD13  ILE 112          HD13      ILE 112 -25.300   5.236  12.653
  323    H    LEU 113           H        LEU 113 -20.286   1.138  10.760
  324    HA   LEU 113           HA       LEU 113 -21.504  -1.295  11.939
  325    HB2  LEU 113           HB2      LEU 113 -22.749  -0.775   9.836
  326    HB3  LEU 113           HB3      LEU 113 -21.227  -0.748   8.951
  327    HG   LEU 113           HG       LEU 113 -20.916  -3.178   9.412
  328   HD11  LEU 113          HD11      LEU 113 -23.704  -2.981  10.658
  329   HD12  LEU 113          HD12      LEU 113 -22.854  -4.490  10.262
  330   HD13  LEU 113          HD13      LEU 113 -22.206  -3.421  11.508
  331   HD21  LEU 113          HD21      LEU 113 -23.612  -2.462   8.185
  332   HD22  LEU 113          HD22      LEU 113 -22.038  -2.407   7.357
  333   HD23  LEU 113          HD23      LEU 113 -22.693  -3.958   7.907
  334    H    GLU 114           H        GLU 114 -20.088  -3.020  12.095
  335    HA   GLU 114           HA       GLU 114 -17.397  -2.973  10.883
  336    HB2  GLU 114           HB2      GLU 114 -17.122  -1.676  12.868
  337    HB3  GLU 114           HB3      GLU 114 -17.833  -2.952  13.876
  338    HG2  GLU 114           HG2      GLU 114 -15.946  -4.455  13.267
  339    HG3  GLU 114           HG3      GLU 114 -15.291  -3.210  12.199
  Start of MODEL    2
    1    H1   MET  71           H1       MET  71  -7.305   7.596  13.625
    2    H2   MET  71           H2       MET  71  -8.083   6.302  13.000
    3    H3   MET  71           H3       MET  71  -6.452   6.354  12.981
    4    HA   MET  71           HA       MET  71  -8.238   8.159  11.475
    5    HB2  MET  71           HB2      MET  71  -6.117   9.244  12.228
    6    HB3  MET  71           HB3      MET  71  -5.187   8.001  11.385
    7    HG2  MET  71           HG2      MET  71  -6.132   8.747   9.224
    8    HG3  MET  71           HG3      MET  71  -7.170   9.896  10.064
    9    HE1  MET  71           HE1      MET  71  -3.587   9.048   8.780
   10    HE2  MET  71           HE2      MET  71  -2.591  10.340   9.482
   11    HE3  MET  71           HE3      MET  71  -3.245   9.065  10.528
   12    H    SER  72           H        SER  72  -8.850   7.493   9.461
   13    HA   SER  72           HA       SER  72  -7.414   5.370   8.008
   14    HB2  SER  72           HB2      SER  72  -9.434   3.965   7.789
   15    HB3  SER  72           HB3      SER  72  -8.896   4.073   9.470
   16    HG   SER  72           HG       SER  72 -11.174   4.357   9.274
   17    H    THR  73           H        THR  73  -8.489   4.932   5.858
   18    HA   THR  73           HA       THR  73 -10.147   7.121   4.779
   19    HB   THR  73           HB       THR  73  -8.013   7.968   4.523
   20    HG1  THR  73           HG1      THR  73  -8.188   8.446   2.348
   21   HG21  THR  73          HG21      THR  73  -6.349   7.025   2.944
   22   HG22  THR  73          HG22      THR  73  -6.610   5.919   4.297
   23   HG23  THR  73          HG23      THR  73  -7.357   5.583   2.718
   24    H    VAL  74           H        VAL  74 -10.780   6.612   2.449
   25    HA   VAL  74           HA       VAL  74 -11.052   3.729   1.841
   26    HB   VAL  74           HB       VAL  74 -13.516   4.004   1.461
   27   HG11  VAL  74          HG11      VAL  74 -12.678   4.380   4.358
   28   HG12  VAL  74          HG12      VAL  74 -14.177   3.641   3.758
   29   HG13  VAL  74          HG13      VAL  74 -12.622   2.851   3.456
   30   HG21  VAL  74          HG21      VAL  74 -13.685   6.472   1.420
   31   HG22  VAL  74          HG22      VAL  74 -14.769   5.742   2.604
   32   HG23  VAL  74          HG23      VAL  74 -13.272   6.530   3.147
   33    HA   PRO  75           HA       PRO  75 -10.847   5.231  -2.369
   34    HB2  PRO  75           HB2      PRO  75 -12.138   3.270  -3.781
   35    HB3  PRO  75           HB3      PRO  75 -10.512   3.082  -3.065
   36    HG2  PRO  75           HG2      PRO  75 -13.172   2.215  -1.898
   37    HG3  PRO  75           HG3      PRO  75 -11.666   1.256  -2.051
   38    HD2  PRO  75           HD2      PRO  75 -12.349   2.499   0.263
   39    HD3  PRO  75           HD3      PRO  75 -10.643   2.430  -0.269
   40    H    LYS  76           H        LYS  76 -12.085   5.872  -4.159
   41    HA   LYS  76           HA       LYS  76 -14.865   6.819  -3.520
   42    HB2  LYS  76           HB2      LYS  76 -13.199   8.563  -3.588
   43    HB3  LYS  76           HB3      LYS  76 -12.806   8.206  -5.276
   44    HG2  LYS  76           HG2      LYS  76 -15.083   8.805  -5.964
   45    HG3  LYS  76           HG3      LYS  76 -15.576   9.008  -4.272
   46    HD2  LYS  76           HD2      LYS  76 -13.988  10.895  -4.016
   47    HD3  LYS  76           HD3      LYS  76 -13.407  10.644  -5.660
   48    HE2  LYS  76           HE2      LYS  76 -14.882  12.476  -5.797
   49    HE3  LYS  76           HE3      LYS  76 -15.730  11.113  -6.524
   50    HZ1  LYS  76           HZ1      LYS  76 -16.996  10.883  -4.422
   51    HZ2  LYS  76           HZ2      LYS  76 -16.166  12.127  -3.746
   52    HZ3  LYS  76           HZ3      LYS  76 -17.158  12.396  -5.007
   53    H    TYR  77           H        TYR  77 -12.898   5.083  -5.839
   54    HA   TYR  77           HA       TYR  77 -15.311   4.465  -7.492
   55    HB2  TYR  77           HB2      TYR  77 -12.541   5.033  -8.603
   56    HB3  TYR  77           HB3      TYR  77 -14.018   4.772  -9.511
   57    HD1  TYR  77           HD2      TYR  77 -12.147   7.129  -7.347
   58    HD2  TYR  77           HD1      TYR  77 -15.478   6.627 -10.029
   59    HE1  TYR  77           HE2      TYR  77 -12.392   9.602  -7.508
   60    HE2  TYR  77           HE1      TYR  77 -15.696   9.105 -10.211
   61    HH   TYR  77           HH       TYR  77 -14.883  11.161  -9.549
   62    H    ARG  78           H        ARG  78 -15.349   2.370  -8.339
   63    HA   ARG  78           HA       ARG  78 -12.941   0.697  -8.208
   64    HB2  ARG  78           HB2      ARG  78 -14.166   0.340  -6.040
   65    HB3  ARG  78           HB3      ARG  78 -15.547  -0.280  -6.952
   66    HG2  ARG  78           HG2      ARG  78 -14.157  -2.108  -7.874
   67    HG3  ARG  78           HG3      ARG  78 -12.718  -1.393  -7.146
   68    HD2  ARG  78           HD2      ARG  78 -13.891  -1.717  -4.871
   69    HD3  ARG  78           HD3      ARG  78 -15.024  -2.767  -5.755
   70    HE   ARG  78           HE       ARG  78 -12.210  -3.385  -6.274
   71   HH11  ARG  78          HH11      ARG  78 -14.719  -4.023  -3.897
   72   HH12  ARG  78          HH12      ARG  78 -13.927  -5.467  -3.328
   73   HH21  ARG  78          HH21      ARG  78 -11.253  -5.189  -5.488
   74   HH22  ARG  78          HH22      ARG  78 -12.006  -6.117  -4.224
   75    H    ASP  79           H        ASP  79 -12.679  -0.262 -10.051
   76    HA   ASP  79           HA       ASP  79 -14.531  -0.306 -12.239
   77    HB2  ASP  79           HB2      ASP  79 -12.190  -0.273 -12.659
   78    HB3  ASP  79           HB3      ASP  79 -11.902  -1.682 -11.643
   79    HA   PRO  80           HA       PRO  80 -16.583  -4.065 -10.619
   80    HB2  PRO  80           HB2      PRO  80 -18.623  -4.317 -12.417
   81    HB3  PRO  80           HB3      PRO  80 -18.595  -3.055 -11.146
   82    HG2  PRO  80           HG2      PRO  80 -17.746  -2.787 -14.044
   83    HG3  PRO  80           HG3      PRO  80 -18.847  -1.720 -13.108
   84    HD2  PRO  80           HD2      PRO  80 -16.204  -1.142 -13.438
   85    HD3  PRO  80           HD3      PRO  80 -17.056  -0.780 -11.903
   86    H    ALA  81           H        ALA  81 -15.157  -3.715 -13.826
   87    HA   ALA  81           HA       ALA  81 -15.668  -6.406 -14.735
   88    HB1  ALA  81           HB1      ALA  81 -14.140  -5.774 -16.555
   89    HB2  ALA  81           HB2      ALA  81 -15.310  -4.478 -16.236
   90    HB3  ALA  81           HB3      ALA  81 -13.639  -4.326 -15.658
   91    H    THR  82           H        THR  82 -12.836  -4.872 -13.181
   92    HA   THR  82           HA       THR  82 -11.573  -7.574 -12.770
   93    HB   THR  82           HB       THR  82  -9.462  -6.682 -13.128
   94    HG1  THR  82           HG1      THR  82 -10.827  -4.231 -13.633
   95   HG21  THR  82          HG21      THR  82  -9.536  -6.497 -15.506
   96   HG22  THR  82          HG22      THR  82 -10.839  -7.589 -14.984
   97   HG23  THR  82          HG23      THR  82 -11.221  -5.923 -15.478
   98    H    GLY  83           H        GLY  83 -12.669  -4.764 -11.098
   99    HA2  GLY  83           HA2      GLY  83 -12.874  -4.690  -8.790
  100    HA3  GLY  83           HA3      GLY  83 -11.569  -5.852  -8.596
  101    H    LYS  84           H        LYS  84 -10.420  -3.454 -10.647
  102    HA   LYS  84           HA       LYS  84  -8.488  -2.368  -8.846
  103    HB2  LYS  84           HB2      LYS  84  -9.540  -1.269 -11.489
  104    HB3  LYS  84           HB3      LYS  84  -8.106  -0.682 -10.625
  105    HG2  LYS  84           HG2      LYS  84  -7.162  -3.005 -10.702
  106    HG3  LYS  84           HG3      LYS  84  -8.511  -3.484 -11.743
  107    HD2  LYS  84           HD2      LYS  84  -7.810  -1.573 -13.333
  108    HD3  LYS  84           HD3      LYS  84  -6.363  -1.400 -12.335
  109    HE2  LYS  84           HE2      LYS  84  -5.607  -2.789 -14.046
  110    HE3  LYS  84           HE3      LYS  84  -5.977  -3.934 -12.758
  111    HZ1  LYS  84           HZ1      LYS  84  -7.691  -3.313 -15.123
  112    HZ2  LYS  84           HZ2      LYS  84  -6.909  -4.716 -14.845
  113    HZ3  LYS  84           HZ3      LYS  84  -8.190  -4.291 -13.907
  114    H    THR  85           H        THR  85  -8.303  -0.392  -7.787
  115    HA   THR  85           HA       THR  85 -10.820   1.194  -7.378
  116    HB   THR  85           HB       THR  85  -9.956   1.544  -5.023
  117    HG1  THR  85           HG1      THR  85  -8.477  -0.014  -4.266
  118   HG21  THR  85          HG21      THR  85 -10.755  -0.620  -4.157
  119   HG22  THR  85          HG22      THR  85 -11.807   0.018  -5.432
  120   HG23  THR  85          HG23      THR  85 -10.673  -1.313  -5.791
  121    H    TRP  86           H        TRP  86 -10.654   3.358  -6.719
  122    HA   TRP  86           HA       TRP  86  -8.061   4.683  -6.551
  123    HB2  TRP  86           HB2      TRP  86  -8.451   4.636  -8.985
  124    HB3  TRP  86           HB3      TRP  86 -10.004   5.424  -8.771
  125    HD1  TRP  86           HD1      TRP  86  -6.317   6.226  -7.766
  126    HE1  TRP  86           HE1      TRP  86  -5.902   8.741  -8.100
  127    HE3  TRP  86           HE3      TRP  86 -10.901   7.569  -9.558
  128    HZ2  TRP  86           HZ2      TRP  86  -7.377  11.039  -9.042
  129    HZ3  TRP  86           HZ3      TRP  86 -11.410   9.946 -10.080
  130    HH2  TRP  86           HH2      TRP  86  -9.699  11.681  -9.744
  131    H    SER  87           H        SER  87  -8.334   7.024  -5.905
  132    HA   SER  87           HA       SER  87 -10.790   7.343  -4.200
  133    HB2  SER  87           HB2      SER  87  -7.979   7.956  -3.297
  134    HB3  SER  87           HB3      SER  87  -9.454   7.784  -2.327
  135    HG   SER  87           HG       SER  87  -7.992   5.934  -2.278
  136    H    GLY  88           H        GLY  88  -9.685   8.985  -6.709
  137    HA2  GLY  88           HA2      GLY  88 -10.383  11.151  -7.283
  138    HA3  GLY  88           HA3      GLY  88 -10.759  11.488  -5.611
  139    H    ARG  89           H        ARG  89  -7.534  10.344  -6.096
  140    HA   ARG  89           HA       ARG  89  -6.368  13.094  -6.169
  141    HB2  ARG  89           HB2      ARG  89  -6.701  12.332  -3.809
  142    HB3  ARG  89           HB3      ARG  89  -5.667  10.934  -4.122
  143    HG2  ARG  89           HG2      ARG  89  -3.753  12.427  -4.574
  144    HG3  ARG  89           HG3      ARG  89  -4.787  13.851  -4.365
  145    HD2  ARG  89           HD2      ARG  89  -4.201  11.769  -2.217
  146    HD3  ARG  89           HD3      ARG  89  -3.353  13.300  -2.373
  147    HE   ARG  89           HE       ARG  89  -6.053  12.847  -1.318
  148   HH11  ARG  89          HH21      ARG  89  -3.895  15.356  -2.494
  149   HH12  ARG  89          HH22      ARG  89  -4.805  16.626  -1.726
  150   HH21  ARG  89          HH11      ARG  89  -7.166  14.512  -0.374
  151   HH22  ARG  89          HH12      ARG  89  -6.617  16.152  -0.558
  152    H    GLY  90           H        GLY  90  -4.359  13.259  -7.116
  153    HA2  GLY  90           HA2      GLY  90  -2.528  12.628  -8.444
  154    HA3  GLY  90           HA3      GLY  90  -2.856  10.930  -8.110
  155    H    ARG  91           H        ARG  91  -2.321  10.794 -10.465
  156    HA   ARG  91           HA       ARG  91  -4.059  11.803 -12.549
  157    HB2  ARG  91           HB2      ARG  91  -2.259   9.374 -12.597
  158    HB3  ARG  91           HB3      ARG  91  -3.055  10.162 -13.968
  159    HG2  ARG  91           HG2      ARG  91  -1.781  12.257 -13.523
  160    HG3  ARG  91           HG3      ARG  91  -0.968  11.466 -12.168
  161    HD2  ARG  91           HD2      ARG  91   0.527  11.399 -14.023
  162    HD3  ARG  91           HD3      ARG  91  -0.056   9.751 -13.737
  163    HE   ARG  91           HE       ARG  91  -1.676  11.151 -15.711
  164   HH11  ARG  91          HH11      ARG  91   1.405   9.490 -15.450
  165   HH12  ARG  91          HH12      ARG  91   1.431   9.086 -17.144
  166   HH21  ARG  91          HH21      ARG  91  -1.590  10.584 -17.853
  167   HH22  ARG  91          HH22      ARG  91  -0.223   9.704 -18.471
  168    H    GLN  92           H        GLN  92  -5.981  11.163 -13.257
  169    HA   GLN  92           HA       GLN  92  -7.570   9.200 -11.934
  170    HB2  GLN  92           HB2      GLN  92  -8.349  11.265 -13.167
  171    HB3  GLN  92           HB3      GLN  92  -8.003  10.432 -14.693
  172    HG2  GLN  92           HG2      GLN  92  -9.640   8.639 -14.014
  173    HG3  GLN  92           HG3      GLN  92  -9.969   9.566 -12.537
  174   HE21  GLN  92          HE22      GLN  92 -11.174  11.601 -12.728
  175   HE22  GLN  92          HE21      GLN  92 -12.065  11.936 -14.201
  176    HA   PRO  93           HA       PRO  93  -6.104   5.584 -14.212
  177    HB2  PRO  93           HB2      PRO  93  -8.006   3.730 -13.557
  178    HB3  PRO  93           HB3      PRO  93  -6.791   4.330 -12.387
  179    HG2  PRO  93           HG2      PRO  93  -9.642   5.303 -12.765
  180    HG3  PRO  93           HG3      PRO  93  -8.838   4.820 -11.240
  181    HD2  PRO  93           HD2      PRO  93  -8.987   7.425 -11.973
  182    HD3  PRO  93           HD3      PRO  93  -7.493   6.782 -11.230
  183    H    ALA  94           H        ALA  94  -6.576   4.302 -16.067
  184    HA   ALA  94           HA       ALA  94  -7.932   5.693 -18.095
  185    HB1  ALA  94           HB1      ALA  94  -7.346   3.747 -19.489
  186    HB2  ALA  94           HB2      ALA  94  -5.998   4.210 -18.441
  187    HB3  ALA  94           HB3      ALA  94  -6.993   2.791 -18.035
  188    H    TRP  95           H        TRP  95  -9.107   2.816 -16.279
  189    HA   TRP  95           HA       TRP  95 -11.379   2.275 -17.919
  190    HB2  TRP  95           HB2      TRP  95 -12.251   1.147 -15.784
  191    HB3  TRP  95           HB3      TRP  95 -10.759   0.553 -16.489
  192    HD1  TRP  95           HD1      TRP  95  -8.604   0.659 -15.075
  193    HE1  TRP  95           HE1      TRP  95  -8.119   1.114 -12.592
  194    HE3  TRP  95           HE3      TRP  95 -13.150   2.637 -13.696
  195    HZ2  TRP  95           HZ2      TRP  95  -9.520   2.131 -10.307
  196    HZ3  TRP  95           HZ3      TRP  95 -13.519   3.342 -11.360
  197    HH2  TRP  95           HH2      TRP  95 -11.741   3.069  -9.661
  198    H    LEU  96           H        LEU  96 -10.986   4.610 -15.319
  199    HA   LEU  96           HA       LEU  96 -13.784   5.149 -14.918
  200    HB2  LEU  96           HB2      LEU  96 -12.055   5.408 -13.224
  201    HB3  LEU  96           HB3      LEU  96 -11.239   6.643 -14.183
  202    HG   LEU  96           HG       LEU  96 -13.029   8.226 -13.811
  203   HD11  LEU  96          HD11      LEU  96 -14.990   6.759 -13.790
  204   HD12  LEU  96          HD12      LEU  96 -14.429   5.981 -12.289
  205   HD13  LEU  96          HD13      LEU  96 -14.920   7.693 -12.297
  206   HD21  LEU  96          HD21      LEU  96 -12.806   8.484 -11.414
  207   HD22  LEU  96          HD22      LEU  96 -12.408   6.765 -11.211
  208   HD23  LEU  96          HD23      LEU  96 -11.277   7.842 -12.043
  209    H    GLY  97           H        GLY  97 -11.538   6.256 -17.313
  210    HA2  GLY  97           HA2      GLY  97 -12.530   8.918 -17.696
  211    HA3  GLY  97           HA3      GLY  97 -11.394   8.050 -18.725
  212    H    ASN  98           H        ASN  98 -14.866   7.423 -17.991
  213    HA   ASN  98           HA       ASN  98 -15.635   8.180 -20.746
  214    HB2  ASN  98           HB2      ASN  98 -14.897   5.805 -20.936
  215    HB3  ASN  98           HB3      ASN  98 -16.074   5.338 -19.711
  216   HD21  ASN  98          HD22      ASN  98 -15.703   6.616 -23.025
  217   HD22  ASN  98          HD21      ASN  98 -17.326   6.174 -23.533
  218    H    ASP  99           H        ASP  99 -17.020   6.538 -17.819
  219    HA   ASP  99           HA       ASP  99 -19.130   8.600 -17.629
  220    HB2  ASP  99           HB2      ASP  99 -20.023   7.073 -19.315
  221    HB3  ASP  99           HB3      ASP  99 -19.759   5.693 -18.244
  222    HA   PRO 100           HA       PRO 100 -17.110   7.217 -13.673
  223    HB2  PRO 100           HB2      PRO 100 -18.593   9.696 -12.851
  224    HB3  PRO 100           HB3      PRO 100 -17.001   9.058 -12.300
  225    HG2  PRO 100           HG2      PRO 100 -17.079  10.982 -14.201
  226    HG3  PRO 100           HG3      PRO 100 -15.974   9.581 -14.384
  227    HD2  PRO 100           HD2      PRO 100 -18.637  10.061 -15.715
  228    HD3  PRO 100           HD3      PRO 100 -17.137   9.360 -16.387
  229    H    ALA 101           H        ALA 101 -20.605   7.981 -13.935
  230    HA   ALA 101           HA       ALA 101 -21.399   6.915 -11.461
  231    HB1  ALA 101           HB1      ALA 101 -22.817   8.312 -12.908
  232    HB2  ALA 101           HB2      ALA 101 -22.913   6.992 -14.102
  233    HB3  ALA 101           HB3      ALA 101 -23.641   6.799 -12.494
  234    H    ALA 102           H        ALA 102 -20.390   5.118 -14.306
  235    HA   ALA 102           HA       ALA 102 -21.673   2.619 -13.675
  236    HB1  ALA 102           HB1      ALA 102 -19.193   3.259 -15.327
  237    HB2  ALA 102           HB2      ALA 102 -20.103   1.734 -15.367
  238    HB3  ALA 102           HB3      ALA 102 -20.867   3.238 -15.924
  239    H    PHE 103           H        PHE 103 -18.815   4.143 -12.365
  240    HA   PHE 103           HA       PHE 103 -18.143   1.692 -10.803
  241    HB2  PHE 103           HB2      PHE 103 -15.669   2.885 -11.385
  242    HB3  PHE 103           HB3      PHE 103 -16.285   1.353 -11.935
  243    HD1  PHE 103           HD1      PHE 103 -16.578   4.987 -12.838
  244    HD2  PHE 103           HD2      PHE 103 -16.255   0.931 -14.232
  245    HE1  PHE 103           HE1      PHE 103 -16.616   5.783 -15.178
  246    HE2  PHE 103           HE2      PHE 103 -16.244   1.732 -16.577
  247    HZ   PHE 103           HZ       PHE 103 -16.428   4.158 -17.063
  248    H    LEU 104           H        LEU 104 -18.769   5.028 -10.598
  249    HA   LEU 104           HA       LEU 104 -17.309   5.778  -8.274
  250    HB2  LEU 104           HB2      LEU 104 -19.804   6.575  -9.680
  251    HB3  LEU 104           HB3      LEU 104 -19.820   6.910  -7.952
  252    HG   LEU 104           HG       LEU 104 -17.600   7.806  -9.799
  253   HD11  LEU 104          HD11      LEU 104 -19.989   9.384  -8.765
  254   HD12  LEU 104          HD12      LEU 104 -18.633  10.036  -9.715
  255   HD13  LEU 104          HD13      LEU 104 -19.738   8.859 -10.442
  256   HD21  LEU 104          HD21      LEU 104 -17.149   9.439  -7.925
  257   HD22  LEU 104          HD22      LEU 104 -18.361   8.599  -6.939
  258   HD23  LEU 104          HD23      LEU 104 -16.874   7.769  -7.450
  259    H    ILE 105           H        ILE 105 -17.402   5.134  -6.171
  260    HA   ILE 105           HA       ILE 105 -19.136   2.906  -5.395
  261    HB   ILE 105           HB       ILE 105 -17.157   4.586  -3.801
  262   HG12  ILE 105          HG12      ILE 105 -16.956   1.691  -4.763
  263   HG13  ILE 105          HG13      ILE 105 -16.286   3.054  -5.652
  264   HG21  ILE 105          HG21      ILE 105 -17.417   2.844  -2.034
  265   HG22  ILE 105          HG22      ILE 105 -18.921   3.708  -2.290
  266   HG23  ILE 105          HG23      ILE 105 -18.715   2.080  -2.976
  267   HD11  ILE 105          HD11      ILE 105 -14.494   2.170  -4.386
  268   HD12  ILE 105          HD12      ILE 105 -14.985   3.691  -3.597
  269   HD13  ILE 105          HD13      ILE 105 -15.450   2.124  -2.894
  270    H    GLN 106           H        GLN 106 -21.056   3.009  -4.472
  271    HA   GLN 106           HA       GLN 106 -22.215   5.606  -3.563
  272    HB2  GLN 106           HB2      GLN 106 -23.231   3.668  -5.685
  273    HB3  GLN 106           HB3      GLN 106 -24.273   4.878  -4.936
  274    HG2  GLN 106           HG2      GLN 106 -23.072   6.696  -5.885
  275    HG3  GLN 106           HG3      GLN 106 -21.689   5.706  -6.309
  276   HE21  GLN 106          HE22      GLN 106 -21.699   4.446  -8.222
  277   HE22  GLN 106          HE21      GLN 106 -22.971   4.634  -9.427
  278    HA   PRO 107           HA       PRO 107 -23.770   3.058  -0.328
  279    HB2  PRO 107           HB2      PRO 107 -25.806   4.540   0.735
  280    HB3  PRO 107           HB3      PRO 107 -24.104   5.087   0.760
  281    HG2  PRO 107           HG2      PRO 107 -26.254   5.830  -1.252
  282    HG3  PRO 107           HG3      PRO 107 -25.181   6.927  -0.331
  283    HD2  PRO 107           HD2      PRO 107 -24.598   6.153  -2.874
  284    HD3  PRO 107           HD3      PRO 107 -23.311   6.351  -1.641
  285    H    ASP 108           H        ASP 108 -25.693   3.441  -3.065
  286    HA   ASP 108           HA       ASP 108 -27.697   2.722  -3.848
  287    HB2  ASP 108           HB2      ASP 108 -26.186   0.722  -3.865
  288    HB3  ASP 108           HB3      ASP 108 -26.970   0.165  -2.387
  289    H    LEU 109           H        LEU 109 -27.975   4.136  -1.363
  290    HA   LEU 109           HA       LEU 109 -30.664   3.270  -0.477
  291    HB2  LEU 109           HB2      LEU 109 -28.222   3.820   1.262
  292    HB3  LEU 109           HB3      LEU 109 -29.855   3.914   1.908
  293    HG   LEU 109           HG       LEU 109 -28.644   1.385   0.699
  294   HD11  LEU 109          HD11      LEU 109 -27.529   2.090   2.792
  295   HD12  LEU 109          HD12      LEU 109 -29.113   2.164   3.604
  296   HD13  LEU 109          HD13      LEU 109 -28.477   0.615   3.011
  297   HD21  LEU 109          HD21      LEU 109 -31.225   1.863   2.261
  298   HD22  LEU 109          HD22      LEU 109 -31.100   1.370   0.555
  299   HD23  LEU 109          HD23      LEU 109 -30.560   0.269   1.828
  300    HA   PRO 110           HA       PRO 110 -31.734   7.659  -0.478
  301    HB2  PRO 110           HB2      PRO 110 -32.710   7.208   2.319
  302    HB3  PRO 110           HB3      PRO 110 -33.501   8.032   0.931
  303    HG2  PRO 110           HG2      PRO 110 -34.234   5.510   1.630
  304    HG3  PRO 110           HG3      PRO 110 -34.037   5.954  -0.100
  305    HD2  PRO 110           HD2      PRO 110 -32.089   4.497   1.701
  306    HD3  PRO 110           HD3      PRO 110 -32.573   4.134   0.018
  307    H    ALA 111           H        ALA 111 -31.182   9.660   0.426
  308    HA   ALA 111           HA       ALA 111 -28.585   9.808   1.665
  309    HB1  ALA 111           HB1      ALA 111 -28.826  12.222   1.228
  310    HB2  ALA 111           HB2      ALA 111 -29.364  11.293  -0.178
  311    HB3  ALA 111           HB3      ALA 111 -30.564  12.014   0.920
  312    H    ILE 112           H        ILE 112 -30.259   8.593   3.420
  313    HA   ILE 112           HA       ILE 112 -30.179  10.266   5.872
  314    HB   ILE 112           HB       ILE 112 -32.592   8.575   5.084
  315   HG12  ILE 112          HG12      ILE 112 -32.647  10.693   3.835
  316   HG13  ILE 112          HG13      ILE 112 -33.939  10.533   5.002
  317   HG21  ILE 112          HG21      ILE 112 -32.290   8.466   7.486
  318   HG22  ILE 112          HG22      ILE 112 -32.027  10.216   7.591
  319   HG23  ILE 112          HG23      ILE 112 -33.622   9.569   7.145
  320   HD11  ILE 112          HD11      ILE 112 -32.921  12.135   6.508
  321   HD12  ILE 112          HD12      ILE 112 -31.451  12.213   5.524
  322   HD13  ILE 112          HD13      ILE 112 -32.982  12.831   4.885
  323    H    LEU 113           H        LEU 113 -28.221   9.123   5.961
  324    HA   LEU 113           HA       LEU 113 -28.417   6.295   6.898
  325    HB2  LEU 113           HB2      LEU 113 -27.915   6.626   4.413
  326    HB3  LEU 113           HB3      LEU 113 -26.390   7.355   4.888
  327    HG   LEU 113           HG       LEU 113 -25.637   5.195   5.842
  328   HD11  LEU 113          HD11      LEU 113 -27.012   3.139   5.441
  329   HD12  LEU 113          HD12      LEU 113 -27.745   4.217   6.630
  330   HD13  LEU 113          HD13      LEU 113 -28.380   4.176   4.974
  331   HD21  LEU 113          HD21      LEU 113 -25.506   3.933   3.755
  332   HD22  LEU 113          HD22      LEU 113 -26.832   4.894   3.065
  333   HD23  LEU 113          HD23      LEU 113 -25.279   5.665   3.453
  334    H    GLU 114           H        GLU 114 -27.559   9.219   7.946
  335    HA   GLU 114           HA       GLU 114 -25.397   8.292   9.764
  336    HB2  GLU 114           HB2      GLU 114 -25.203  10.836   8.147
  337    HB3  GLU 114           HB3      GLU 114 -24.161  10.316   9.478
  338    HG2  GLU 114           HG2      GLU 114 -23.472   8.318   8.154
  339    HG3  GLU 114           HG3      GLU 114 -24.421   8.914   6.786
  Start of MODEL    3
    1    H1   MET  71           H1       MET  71  -6.693   5.568   9.523
    2    H2   MET  71           H2       MET  71  -7.963   5.018   8.655
    3    H3   MET  71           H3       MET  71  -6.678   4.041   8.947
    4    HA   MET  71           HA       MET  71  -5.222   5.430   7.610
    5    HB2  MET  71           HB2      MET  71  -7.775   4.578   6.149
    6    HB3  MET  71           HB3      MET  71  -6.308   5.123   5.342
    7    HG2  MET  71           HG2      MET  71  -6.564   2.655   7.094
    8    HG3  MET  71           HG3      MET  71  -6.463   2.694   5.345
    9    HE1  MET  71           HE1      MET  71  -2.751   3.500   4.579
   10    HE2  MET  71           HE2      MET  71  -4.316   2.961   3.935
   11    HE3  MET  71           HE3      MET  71  -4.124   4.626   4.533
   12    H    SER  72           H        SER  72  -4.777   7.367   6.545
   13    HA   SER  72           HA       SER  72  -6.374   9.666   7.277
   14    HB2  SER  72           HB2      SER  72  -4.630  10.897   6.010
   15    HB3  SER  72           HB3      SER  72  -3.980   9.804   7.246
   16    HG   SER  72           HG       SER  72  -2.838   9.616   5.244
   17    H    THR  73           H        THR  73  -6.381   7.632   4.442
   18    HA   THR  73           HA       THR  73  -8.327   9.435   3.046
   19    HB   THR  73           HB       THR  73  -7.422   8.991   0.972
   20    HG1  THR  73           HG1      THR  73  -6.326   7.080   1.062
   21   HG21  THR  73          HG21      THR  73  -6.550  10.965   2.174
   22   HG22  THR  73          HG22      THR  73  -5.159  10.004   2.726
   23   HG23  THR  73          HG23      THR  73  -5.396  10.315   0.994
   24    H    VAL  74           H        VAL  74  -9.597   8.310   1.382
   25    HA   VAL  74           HA       VAL  74 -10.027   5.396   1.797
   26    HB   VAL  74           HB       VAL  74 -12.502   5.804   1.890
   27   HG11  VAL  74          HG11      VAL  74 -12.611   6.262   4.263
   28   HG12  VAL  74          HG12      VAL  74 -11.198   5.256   3.920
   29   HG13  VAL  74          HG13      VAL  74 -10.995   6.990   4.247
   30   HG21  VAL  74          HG21      VAL  74 -13.393   7.941   2.630
   31   HG22  VAL  74          HG22      VAL  74 -11.790   8.692   2.548
   32   HG23  VAL  74          HG23      VAL  74 -12.598   8.137   1.064
   33    HA   PRO  75           HA       PRO  75 -10.651   5.515  -2.616
   34    HB2  PRO  75           HB2      PRO  75 -12.230   3.361  -3.110
   35    HB3  PRO  75           HB3      PRO  75 -10.531   3.221  -2.577
   36    HG2  PRO  75           HG2      PRO  75 -13.025   3.091  -0.852
   37    HG3  PRO  75           HG3      PRO  75 -11.647   1.942  -0.890
   38    HD2  PRO  75           HD2      PRO  75 -11.796   3.910   0.969
   39    HD3  PRO  75           HD3      PRO  75 -10.229   3.471   0.229
   40    H    LYS  76           H        LYS  76 -12.175   5.762  -4.265
   41    HA   LYS  76           HA       LYS  76 -14.845   6.924  -3.543
   42    HB2  LYS  76           HB2      LYS  76 -13.204   8.667  -3.755
   43    HB3  LYS  76           HB3      LYS  76 -12.790   8.174  -5.408
   44    HG2  LYS  76           HG2      LYS  76 -15.033   8.758  -6.173
   45    HG3  LYS  76           HG3      LYS  76 -15.573   9.073  -4.515
   46    HD2  LYS  76           HD2      LYS  76 -14.087  10.979  -4.311
   47    HD3  LYS  76           HD3      LYS  76 -13.300  10.609  -5.858
   48    HE2  LYS  76           HE2      LYS  76 -15.398  11.033  -7.074
   49    HE3  LYS  76           HE3      LYS  76 -16.255  11.309  -5.547
   50    HZ1  LYS  76           HZ1      LYS  76 -14.811  13.259  -5.175
   51    HZ2  LYS  76           HZ2      LYS  76 -14.033  13.004  -6.594
   52    HZ3  LYS  76           HZ3      LYS  76 -15.611  13.410  -6.589
   53    H    TYR  77           H        TYR  77 -12.947   5.062  -5.837
   54    HA   TYR  77           HA       TYR  77 -15.421   4.346  -7.353
   55    HB2  TYR  77           HB2      TYR  77 -12.714   4.888  -8.608
   56    HB3  TYR  77           HB3      TYR  77 -14.227   4.563  -9.437
   57    HD1  TYR  77           HD2      TYR  77 -12.294   7.055  -7.483
   58    HD2  TYR  77           HD1      TYR  77 -15.702   6.394 -10.038
   59    HE1  TYR  77           HE2      TYR  77 -12.528   9.507  -7.817
   60    HE2  TYR  77           HE1      TYR  77 -15.882   8.840 -10.427
   61    HH   TYR  77           HH       TYR  77 -15.031  10.933  -9.948
   62    H    ARG  78           H        ARG  78 -15.403   2.260  -8.262
   63    HA   ARG  78           HA       ARG  78 -12.991   0.571  -8.043
   64    HB2  ARG  78           HB2      ARG  78 -14.359   0.128  -5.966
   65    HB3  ARG  78           HB3      ARG  78 -15.695  -0.387  -7.003
   66    HG2  ARG  78           HG2      ARG  78 -14.180  -2.141  -8.012
   67    HG3  ARG  78           HG3      ARG  78 -12.911  -1.634  -6.899
   68    HD2  ARG  78           HD2      ARG  78 -15.622  -2.764  -6.103
   69    HD3  ARG  78           HD3      ARG  78 -14.147  -3.704  -6.204
   70    HE   ARG  78           HE       ARG  78 -14.927  -1.811  -4.104
   71   HH11  ARG  78          HH11      ARG  78 -12.085  -3.496  -5.384
   72   HH12  ARG  78          HH12      ARG  78 -11.412  -3.681  -3.793
   73   HH21  ARG  78          HH21      ARG  78 -13.891  -1.977  -2.153
   74   HH22  ARG  78          HH22      ARG  78 -12.352  -2.770  -2.045
   75    H    ASP  79           H        ASP  79 -12.625  -0.275  -9.944
   76    HA   ASP  79           HA       ASP  79 -14.397  -0.266 -12.205
   77    HB2  ASP  79           HB2      ASP  79 -12.036  -0.172 -12.531
   78    HB3  ASP  79           HB3      ASP  79 -11.765  -1.621 -11.571
   79    HA   PRO  80           HA       PRO  80 -16.458  -4.076 -10.767
   80    HB2  PRO  80           HB2      PRO  80 -18.341  -4.385 -12.741
   81    HB3  PRO  80           HB3      PRO  80 -18.458  -3.164 -11.441
   82    HG2  PRO  80           HG2      PRO  80 -17.398  -2.780 -14.257
   83    HG3  PRO  80           HG3      PRO  80 -18.602  -1.777 -13.382
   84    HD2  PRO  80           HD2      PRO  80 -15.993  -1.063 -13.480
   85    HD3  PRO  80           HD3      PRO  80 -16.946  -0.856 -11.976
   86    H    ALA  81           H        ALA  81 -14.822  -3.731 -13.878
   87    HA   ALA  81           HA       ALA  81 -15.159  -6.475 -14.730
   88    HB1  ALA  81           HB1      ALA  81 -13.581  -5.829 -16.492
   89    HB2  ALA  81           HB2      ALA  81 -14.826  -4.581 -16.279
   90    HB3  ALA  81           HB3      ALA  81 -13.194  -4.328 -15.630
   91    H    THR  82           H        THR  82 -12.637  -4.798 -12.861
   92    HA   THR  82           HA       THR  82 -11.146  -7.393 -12.505
   93    HB   THR  82           HB       THR  82  -9.155  -6.204 -12.355
   94    HG1  THR  82           HG1      THR  82 -10.682  -3.894 -13.024
   95   HG21  THR  82          HG21      THR  82 -10.049  -6.992 -14.520
   96   HG22  THR  82          HG22      THR  82 -10.599  -5.338 -14.879
   97   HG23  THR  82          HG23      THR  82  -8.861  -5.671 -14.662
   98    H    GLY  83           H        GLY  83 -12.685  -4.787 -10.750
   99    HA2  GLY  83           HA2      GLY  83 -13.115  -4.716  -8.474
  100    HA3  GLY  83           HA3      GLY  83 -11.876  -5.936  -8.161
  101    H    LYS  84           H        LYS  84 -10.355  -3.726 -10.096
  102    HA   LYS  84           HA       LYS  84  -8.668  -2.572  -8.082
  103    HB2  LYS  84           HB2      LYS  84  -9.158  -1.917 -11.017
  104    HB3  LYS  84           HB3      LYS  84  -7.926  -1.111 -10.031
  105    HG2  LYS  84           HG2      LYS  84  -6.877  -3.266  -9.503
  106    HG3  LYS  84           HG3      LYS  84  -8.075  -4.125 -10.478
  107    HD2  LYS  84           HD2      LYS  84  -7.363  -2.828 -12.491
  108    HD3  LYS  84           HD3      LYS  84  -6.085  -2.062 -11.539
  109    HE2  LYS  84           HE2      LYS  84  -6.374  -5.069 -12.017
  110    HE3  LYS  84           HE3      LYS  84  -5.362  -3.997 -12.983
  111    HZ1  LYS  84           HZ1      LYS  84  -4.977  -4.524 -10.073
  112    HZ2  LYS  84           HZ2      LYS  84  -4.041  -5.087 -11.283
  113    HZ3  LYS  84           HZ3      LYS  84  -4.070  -3.491 -10.967
  114    H    THR  85           H        THR  85  -8.448  -0.455  -7.355
  115    HA   THR  85           HA       THR  85 -10.953   1.191  -7.373
  116    HB   THR  85           HB       THR  85 -10.311   1.820  -5.023
  117    HG1  THR  85           HG1      THR  85  -8.844   0.420  -3.976
  118   HG21  THR  85          HG21      THR  85 -10.835  -1.141  -5.486
  119   HG22  THR  85          HG22      THR  85 -11.124  -0.239  -3.978
  120   HG23  THR  85          HG23      THR  85 -12.057   0.157  -5.426
  121    H    TRP  86           H        TRP  86 -10.796   3.406  -6.767
  122    HA   TRP  86           HA       TRP  86  -8.184   4.729  -6.787
  123    HB2  TRP  86           HB2      TRP  86  -8.776   4.607  -9.194
  124    HB3  TRP  86           HB3      TRP  86 -10.283   5.449  -8.868
  125    HD1  TRP  86           HD1      TRP  86  -6.538   6.166  -8.057
  126    HE1  TRP  86           HE1      TRP  86  -6.078   8.663  -8.421
  127    HE3  TRP  86           HE3      TRP  86 -11.133   7.598  -9.798
  128    HZ2  TRP  86           HZ2      TRP  86  -7.522  10.992  -9.324
  129    HZ3  TRP  86           HZ3      TRP  86 -11.601   9.989 -10.258
  130    HH2  TRP  86           HH2      TRP  86  -9.855  11.686  -9.956
  131    H    SER  87           H        SER  87  -8.443   7.100  -6.178
  132    HA   SER  87           HA       SER  87 -10.748   7.409  -4.283
  133    HB2  SER  87           HB2      SER  87  -9.046   8.188  -2.659
  134    HB3  SER  87           HB3      SER  87  -8.698   6.550  -3.235
  135    HG   SER  87           HG       SER  87  -6.809   7.866  -3.291
  136    H    GLY  88           H        GLY  88  -9.566   9.084  -6.918
  137    HA2  GLY  88           HA2      GLY  88 -10.335  11.263  -7.488
  138    HA3  GLY  88           HA3      GLY  88 -10.612  11.641  -5.811
  139    H    ARG  89           H        ARG  89  -7.501  10.270  -6.272
  140    HA   ARG  89           HA       ARG  89  -6.145  12.926  -6.488
  141    HB2  ARG  89           HB2      ARG  89  -6.522  12.261  -4.109
  142    HB3  ARG  89           HB3      ARG  89  -5.604  10.778  -4.388
  143    HG2  ARG  89           HG2      ARG  89  -3.570  12.106  -4.857
  144    HG3  ARG  89           HG3      ARG  89  -4.503  13.613  -4.700
  145    HD2  ARG  89           HD2      ARG  89  -5.013  13.039  -2.346
  146    HD3  ARG  89           HD3      ARG  89  -4.071  11.557  -2.480
  147    HE   ARG  89           HE       ARG  89  -3.088  14.337  -2.298
  148   HH11  ARG  89          HH11      ARG  89  -2.083  11.029  -2.921
  149   HH12  ARG  89          HH12      ARG  89  -0.409  11.392  -2.615
  150   HH21  ARG  89          HH21      ARG  89  -0.947  14.719  -1.910
  151   HH22  ARG  89          HH22      ARG  89   0.218  13.438  -2.062
  152    H    GLY  90           H        GLY  90  -4.078  12.909  -7.371
  153    HA2  GLY  90           HA2      GLY  90  -2.248  12.099  -8.594
  154    HA3  GLY  90           HA3      GLY  90  -2.768  10.443  -8.293
  155    H    ARG  91           H        ARG  91  -2.031  10.351 -10.616
  156    HA   ARG  91           HA       ARG  91  -3.478  11.534 -12.797
  157    HB2  ARG  91           HB2      ARG  91  -1.949   8.924 -12.747
  158    HB3  ARG  91           HB3      ARG  91  -2.518   9.828 -14.168
  159    HG2  ARG  91           HG2      ARG  91  -1.096  11.757 -13.539
  160    HG3  ARG  91           HG3      ARG  91  -0.473  10.842 -12.150
  161    HD2  ARG  91           HD2      ARG  91   0.396   9.101 -13.680
  162    HD3  ARG  91           HD3      ARG  91  -0.208  10.032 -15.072
  163    HE   ARG  91           HE       ARG  91   1.443  11.754 -13.537
  164   HH11  ARG  91          HH11      ARG  91   1.890   8.905 -15.533
  165   HH12  ARG  91          HH12      ARG  91   3.530   9.333 -15.939
  166   HH21  ARG  91          HH21      ARG  91   3.537  12.246 -14.102
  167   HH22  ARG  91          HH22      ARG  91   4.431  11.187 -15.148
  168    H    GLN  92           H        GLN  92  -5.219  10.955 -13.957
  169    HA   GLN  92           HA       GLN  92  -7.314   9.485 -12.737
  170    HB2  GLN  92           HB2      GLN  92  -7.521  11.400 -14.343
  171    HB3  GLN  92           HB3      GLN  92  -7.056  10.306 -15.655
  172    HG2  GLN  92           HG2      GLN  92  -9.039   8.868 -15.077
  173    HG3  GLN  92           HG3      GLN  92  -9.470  10.034 -13.821
  174   HE21  GLN  92          HE22      GLN  92 -10.713  11.876 -14.459
  175   HE22  GLN  92          HE21      GLN  92 -11.107  12.190 -16.139
  176    HA   PRO  93           HA       PRO  93  -6.224   5.273 -14.154
  177    HB2  PRO  93           HB2      PRO  93  -9.121   4.710 -13.660
  178    HB3  PRO  93           HB3      PRO  93  -7.667   3.851 -13.070
  179    HG2  PRO  93           HG2      PRO  93  -9.150   5.486 -11.458
  180    HG3  PRO  93           HG3      PRO  93  -7.365   5.374 -11.312
  181    HD2  PRO  93           HD2      PRO  93  -9.013   7.513 -12.641
  182    HD3  PRO  93           HD3      PRO  93  -7.531   7.658 -11.650
  183    H    ALA  94           H        ALA  94  -6.464   4.115 -16.104
  184    HA   ALA  94           HA       ALA  94  -7.551   5.415 -18.367
  185    HB1  ALA  94           HB1      ALA  94  -7.007   3.311 -19.535
  186    HB2  ALA  94           HB2      ALA  94  -5.706   3.784 -18.429
  187    HB3  ALA  94           HB3      ALA  94  -6.828   2.476 -17.979
  188    H    TRP  95           H        TRP  95  -9.008   2.839 -16.356
  189    HA   TRP  95           HA       TRP  95 -11.345   2.429 -17.988
  190    HB2  TRP  95           HB2      TRP  95 -12.241   1.359 -15.879
  191    HB3  TRP  95           HB3      TRP  95 -10.755   0.693 -16.525
  192    HD1  TRP  95           HD1      TRP  95  -8.593   0.834 -15.093
  193    HE1  TRP  95           HE1      TRP  95  -8.171   1.232 -12.595
  194    HE3  TRP  95           HE3      TRP  95 -13.207   2.723 -13.754
  195    HZ2  TRP  95           HZ2      TRP  95  -9.615   2.204 -10.325
  196    HZ3  TRP  95           HZ3      TRP  95 -13.641   3.290 -11.399
  197    HH2  TRP  95           HH2      TRP  95 -11.874   3.047  -9.688
  198    H    LEU  96           H        LEU  96 -10.563   5.041 -15.821
  199    HA   LEU  96           HA       LEU  96 -13.238   5.638 -14.975
  200    HB2  LEU  96           HB2      LEU  96 -10.790   6.437 -14.125
  201    HB3  LEU  96           HB3      LEU  96 -11.173   7.800 -15.170
  202    HG   LEU  96           HG       LEU  96 -13.506   7.739 -13.850
  203   HD11  LEU  96          HD11      LEU  96 -12.949   5.637 -12.617
  204   HD12  LEU  96          HD12      LEU  96 -11.563   6.446 -11.875
  205   HD13  LEU  96          HD13      LEU  96 -13.205   7.005 -11.516
  206   HD21  LEU  96          HD21      LEU  96 -12.640   9.281 -12.192
  207   HD22  LEU  96          HD22      LEU  96 -10.974   8.779 -12.557
  208   HD23  LEU  96          HD23      LEU  96 -11.963   9.623 -13.783
  209    H    GLY  97           H        GLY  97 -11.590   6.234 -17.958
  210    HA2  GLY  97           HA2      GLY  97 -12.829   8.745 -18.673
  211    HA3  GLY  97           HA3      GLY  97 -11.771   7.755 -19.670
  212    H    ASN  98           H        ASN  98 -15.050   7.138 -18.280
  213    HA   ASN  98           HA       ASN  98 -16.215   7.159 -21.002
  214    HB2  ASN  98           HB2      ASN  98 -15.365   4.839 -20.712
  215    HB3  ASN  98           HB3      ASN  98 -16.331   4.655 -19.255
  216   HD21  ASN  98          HD22      ASN  98 -16.487   5.085 -22.796
  217   HD22  ASN  98          HD21      ASN  98 -18.134   4.488 -22.941
  218    H    ASP  99           H        ASP  99 -17.245   6.065 -17.702
  219    HA   ASP  99           HA       ASP  99 -19.274   8.196 -17.547
  220    HB2  ASP  99           HB2      ASP  99 -20.397   6.580 -18.978
  221    HB3  ASP  99           HB3      ASP  99 -20.052   5.276 -17.844
  222    HA   PRO 100           HA       PRO 100 -17.191   7.310 -13.525
  223    HB2  PRO 100           HB2      PRO 100 -18.865   9.728 -12.943
  224    HB3  PRO 100           HB3      PRO 100 -17.236   9.268 -12.326
  225    HG2  PRO 100           HG2      PRO 100 -17.447  10.991 -14.403
  226    HG3  PRO 100           HG3      PRO 100 -16.221   9.678 -14.440
  227    HD2  PRO 100           HD2      PRO 100 -18.883   9.813 -15.846
  228    HD3  PRO 100           HD3      PRO 100 -17.324   9.153 -16.423
  229    H    ALA 101           H        ALA 101 -20.721   7.876 -13.833
  230    HA   ALA 101           HA       ALA 101 -21.355   6.881 -11.266
  231    HB1  ALA 101           HB1      ALA 101 -23.061   7.011 -13.788
  232    HB2  ALA 101           HB2      ALA 101 -23.672   6.845 -12.130
  233    HB3  ALA 101           HB3      ALA 101 -22.832   8.330 -12.613
  234    H    ALA 102           H        ALA 102 -20.497   5.051 -14.123
  235    HA   ALA 102           HA       ALA 102 -21.863   2.600 -13.441
  236    HB1  ALA 102           HB1      ALA 102 -19.409   3.116 -15.175
  237    HB2  ALA 102           HB2      ALA 102 -20.400   1.643 -15.171
  238    HB3  ALA 102           HB3      ALA 102 -21.098   3.178 -15.720
  239    H    PHE 103           H        PHE 103 -18.883   4.050 -12.284
  240    HA   PHE 103           HA       PHE 103 -18.295   1.617 -10.648
  241    HB2  PHE 103           HB2      PHE 103 -15.818   2.157 -11.187
  242    HB3  PHE 103           HB3      PHE 103 -16.808   1.286 -12.338
  243    HD1  PHE 103           HD2      PHE 103 -15.645   4.740 -11.526
  244    HD2  PHE 103           HD1      PHE 103 -16.999   2.008 -14.570
  245    HE1  PHE 103           HE2      PHE 103 -15.268   6.470 -13.247
  246    HE2  PHE 103           HE1      PHE 103 -16.623   3.745 -16.296
  247    HZ   PHE 103           HZ       PHE 103 -15.754   5.983 -15.642
  248    H    LEU 104           H        LEU 104 -18.944   4.921 -10.390
  249    HA   LEU 104           HA       LEU 104 -17.353   5.637  -8.118
  250    HB2  LEU 104           HB2      LEU 104 -20.049   6.389  -9.209
  251    HB3  LEU 104           HB3      LEU 104 -19.744   6.775  -7.526
  252    HG   LEU 104           HG       LEU 104 -17.829   7.618  -9.716
  253   HD11  LEU 104          HD11      LEU 104 -20.044   8.607 -10.172
  254   HD12  LEU 104          HD12      LEU 104 -20.129   9.201  -8.501
  255   HD13  LEU 104          HD13      LEU 104 -18.898   9.836  -9.616
  256   HD21  LEU 104          HD21      LEU 104 -17.178   9.335  -8.011
  257   HD22  LEU 104          HD22      LEU 104 -18.285   8.576  -6.849
  258   HD23  LEU 104          HD23      LEU 104 -16.867   7.698  -7.455
  259    H    ILE 105           H        ILE 105 -17.452   5.094  -5.963
  260    HA   ILE 105           HA       ILE 105 -19.025   2.768  -5.111
  261    HB   ILE 105           HB       ILE 105 -17.377   4.707  -3.441
  262   HG12  ILE 105          HG12      ILE 105 -16.721   1.860  -4.353
  263   HG13  ILE 105          HG13      ILE 105 -16.138   3.291  -5.191
  264   HG21  ILE 105          HG21      ILE 105 -19.154   3.587  -2.110
  265   HG22  ILE 105          HG22      ILE 105 -18.747   2.029  -2.856
  266   HG23  ILE 105          HG23      ILE 105 -17.613   2.829  -1.743
  267   HD11  ILE 105          HD11      ILE 105 -14.387   2.637  -3.744
  268   HD12  ILE 105          HD12      ILE 105 -15.130   4.100  -3.037
  269   HD13  ILE 105          HD13      ILE 105 -15.467   2.494  -2.345
  270    H    GLN 106           H        GLN 106 -21.040   2.768  -4.499
  271    HA   GLN 106           HA       GLN 106 -22.466   5.188  -3.572
  272    HB2  GLN 106           HB2      GLN 106 -24.141   4.971  -5.365
  273    HB3  GLN 106           HB3      GLN 106 -22.533   5.275  -6.012
  274    HG2  GLN 106           HG2      GLN 106 -22.393   2.684  -6.367
  275    HG3  GLN 106           HG3      GLN 106 -24.131   2.691  -6.078
  276   HE21  GLN 106          HE22      GLN 106 -21.527   3.722  -8.259
  277   HE22  GLN 106          HE21      GLN 106 -22.585   4.069  -9.632
  278    HA   PRO 107           HA       PRO 107 -24.417   2.244  -0.990
  279    HB2  PRO 107           HB2      PRO 107 -26.909   3.282  -0.484
  280    HB3  PRO 107           HB3      PRO 107 -25.392   3.982   0.145
  281    HG2  PRO 107           HG2      PRO 107 -26.947   4.836  -2.308
  282    HG3  PRO 107           HG3      PRO 107 -26.290   5.867  -0.995
  283    HD2  PRO 107           HD2      PRO 107 -24.962   5.535  -3.340
  284    HD3  PRO 107           HD3      PRO 107 -24.069   5.631  -1.797
  285    H    ASP 108           H        ASP 108 -25.318   0.301  -1.244
  286    HA   ASP 108           HA       ASP 108 -26.242  -0.753  -3.560
  287    HB2  ASP 108           HB2      ASP 108 -25.402  -1.992  -1.603
  288    HB3  ASP 108           HB3      ASP 108 -26.919  -1.685  -0.755
  289    H    LEU 109           H        LEU 109 -28.251   0.927  -1.270
  290    HA   LEU 109           HA       LEU 109 -30.515   0.872  -3.080
  291    HB2  LEU 109           HB2      LEU 109 -30.787  -0.935  -1.371
  292    HB3  LEU 109           HB3      LEU 109 -30.752   0.269  -0.092
  293    HG   LEU 109           HG       LEU 109 -32.848   0.327  -2.304
  294   HD11  LEU 109          HD11      LEU 109 -34.328  -0.954  -0.810
  295   HD12  LEU 109          HD12      LEU 109 -32.913  -1.909  -1.278
  296   HD13  LEU 109          HD13      LEU 109 -32.997  -1.178   0.341
  297   HD21  LEU 109          HD21      LEU 109 -32.874   1.310   0.589
  298   HD22  LEU 109          HD22      LEU 109 -32.788   2.349  -0.848
  299   HD23  LEU 109          HD23      LEU 109 -34.237   1.403  -0.544
  300    HA   PRO 110           HA       PRO 110 -29.879   5.154  -2.012
  301    HB2  PRO 110           HB2      PRO 110 -31.946   6.396  -3.315
  302    HB3  PRO 110           HB3      PRO 110 -30.612   5.565  -4.164
  303    HG2  PRO 110           HG2      PRO 110 -33.352   4.433  -3.469
  304    HG3  PRO 110           HG3      PRO 110 -32.532   4.437  -5.064
  305    HD2  PRO 110           HD2      PRO 110 -32.420   2.287  -3.401
  306    HD3  PRO 110           HD3      PRO 110 -31.012   2.763  -4.393
  307    H    ALA 111           H        ALA 111 -30.188   4.465   0.165
  308    HA   ALA 111           HA       ALA 111 -32.259   6.081   1.554
  309    HB1  ALA 111           HB1      ALA 111 -31.674   3.133   2.115
  310    HB2  ALA 111           HB2      ALA 111 -32.768   4.167   3.061
  311    HB3  ALA 111           HB3      ALA 111 -33.159   3.786   1.378
  312    H    ILE 112           H        ILE 112 -29.721   6.822   1.112
  313    HA   ILE 112           HA       ILE 112 -27.568   7.077   1.878
  314    HB   ILE 112           HB       ILE 112 -28.925   9.016   2.317
  315   HG12  ILE 112          HG12      ILE 112 -27.533  10.243   3.906
  316   HG13  ILE 112          HG13      ILE 112 -26.804   8.748   4.482
  317   HG21  ILE 112          HG21      ILE 112 -30.535   8.156   3.951
  318   HG22  ILE 112          HG22      ILE 112 -29.269   8.101   5.194
  319   HG23  ILE 112          HG23      ILE 112 -29.780   9.650   4.500
  320   HD11  ILE 112          HD11      ILE 112 -25.782   8.359   2.277
  321   HD12  ILE 112          HD12      ILE 112 -26.635   9.770   1.614
  322   HD13  ILE 112          HD13      ILE 112 -25.382   9.986   2.853
  323    H    LEU 113           H        LEU 113 -27.379   4.777   2.153
  324    HA   LEU 113           HA       LEU 113 -27.417   3.540   4.745
  325    HB2  LEU 113           HB2      LEU 113 -25.969   2.664   2.214
  326    HB3  LEU 113           HB3      LEU 113 -26.272   1.656   3.625
  327    HG   LEU 113           HG       LEU 113 -28.413   2.797   1.780
  328   HD11  LEU 113          HD11      LEU 113 -28.703   0.456   1.094
  329   HD12  LEU 113          HD12      LEU 113 -27.040   0.988   0.786
  330   HD13  LEU 113          HD13      LEU 113 -27.394  -0.050   2.183
  331   HD21  LEU 113          HD21      LEU 113 -29.327   2.563   4.039
  332   HD22  LEU 113          HD22      LEU 113 -29.959   1.282   2.999
  333   HD23  LEU 113          HD23      LEU 113 -28.666   0.914   4.167
  334    H    GLU 114           H        GLU 114 -24.873   5.336   3.146
  335    HA   GLU 114           HA       GLU 114 -23.115   5.181   5.473
  336    HB2  GLU 114           HB2      GLU 114 -21.162   4.356   4.289
  337    HB3  GLU 114           HB3      GLU 114 -22.433   3.146   4.331
  338    HG2  GLU 114           HG2      GLU 114 -23.021   3.692   1.961
  339    HG3  GLU 114           HG3      GLU 114 -21.706   4.874   1.922
  Start of MODEL    4
    1    H1   MET  71           H1       MET  71  -8.375   9.591  13.168
    2    H2   MET  71           H2       MET  71  -9.103   8.213  12.677
    3    H3   MET  71           H3       MET  71  -7.470   8.311  12.690
    4    HA   MET  71           HA       MET  71  -9.279   9.889  10.959
    5    HB2  MET  71           HB2      MET  71  -7.199  11.109  11.635
    6    HB3  MET  71           HB3      MET  71  -6.223   9.817  10.923
    7    HG2  MET  71           HG2      MET  71  -7.201  10.306   8.698
    8    HG3  MET  71           HG3      MET  71  -8.226  11.551   9.416
    9    HE1  MET  71           HE1      MET  71  -6.355  12.008   6.855
   10    HE2  MET  71           HE2      MET  71  -7.400  13.268   7.563
   11    HE3  MET  71           HE3      MET  71  -5.685  13.610   7.236
   12    H    SER  72           H        SER  72  -9.793   9.033   8.995
   13    HA   SER  72           HA       SER  72  -8.329   6.734   7.852
   14    HB2  SER  72           HB2      SER  72 -10.373   5.363   7.689
   15    HB3  SER  72           HB3      SER  72  -9.914   5.657   9.366
   16    HG   SER  72           HG       SER  72 -12.171   5.963   9.028
   17    H    THR  73           H        THR  73  -9.354   6.070   5.718
   18    HA   THR  73           HA       THR  73 -10.827   8.200   4.301
   19    HB   THR  73           HB       THR  73  -8.637   8.892   4.060
   20    HG1  THR  73           HG1      THR  73  -8.680   9.113   1.847
   21   HG21  THR  73          HG21      THR  73  -8.044   6.267   2.606
   22   HG22  THR  73          HG22      THR  73  -6.955   7.668   2.700
   23   HG23  THR  73          HG23      THR  73  -7.347   6.761   4.168
   24    H    VAL  74           H        VAL  74 -11.405   7.457   2.028
   25    HA   VAL  74           HA       VAL  74 -11.647   4.564   1.631
   26    HB   VAL  74           HB       VAL  74 -13.522   5.022   3.052
   27   HG11  VAL  74          HG11      VAL  74 -14.597   6.967   0.967
   28   HG12  VAL  74          HG12      VAL  74 -15.392   6.472   2.473
   29   HG13  VAL  74          HG13      VAL  74 -13.916   7.432   2.549
   30   HG21  VAL  74          HG21      VAL  74 -13.932   3.284   1.460
   31   HG22  VAL  74          HG22      VAL  74 -15.408   4.197   1.738
   32   HG23  VAL  74          HG23      VAL  74 -14.500   4.471   0.246
   33    HA   PRO  75           HA       PRO  75 -11.235   6.004  -2.601
   34    HB2  PRO  75           HB2      PRO  75 -12.129   3.775  -3.986
   35    HB3  PRO  75           HB3      PRO  75 -10.511   3.950  -3.243
   36    HG2  PRO  75           HG2      PRO  75 -12.968   2.602  -2.091
   37    HG3  PRO  75           HG3      PRO  75 -11.286   1.982  -2.139
   38    HD2  PRO  75           HD2      PRO  75 -12.289   3.146   0.089
   39    HD3  PRO  75           HD3      PRO  75 -10.607   3.458  -0.413
   40    H    LYS  76           H        LYS  76 -12.392   6.467  -4.486
   41    HA   LYS  76           HA       LYS  76 -15.304   7.101  -4.129
   42    HB2  LYS  76           HB2      LYS  76 -13.240   8.139  -6.076
   43    HB3  LYS  76           HB3      LYS  76 -14.987   8.441  -6.155
   44    HG2  LYS  76           HG2      LYS  76 -14.933   9.567  -3.986
   45    HG3  LYS  76           HG3      LYS  76 -13.190   9.244  -3.839
   46    HD2  LYS  76           HD2      LYS  76 -12.754  10.583  -5.884
   47    HD3  LYS  76           HD3      LYS  76 -14.479  10.819  -6.119
   48    HE2  LYS  76           HE2      LYS  76 -13.421  12.821  -5.234
   49    HE3  LYS  76           HE3      LYS  76 -14.655  12.202  -4.134
   50    HZ1  LYS  76           HZ1      LYS  76 -12.536  12.898  -3.026
   51    HZ2  LYS  76           HZ2      LYS  76 -12.929  11.353  -2.691
   52    HZ3  LYS  76           HZ3      LYS  76 -11.739  11.670  -3.774
   53    H    TYR  77           H        TYR  77 -13.141   5.111  -6.105
   54    HA   TYR  77           HA       TYR  77 -15.538   4.036  -7.555
   55    HB2  TYR  77           HB2      TYR  77 -12.881   4.727  -8.843
   56    HB3  TYR  77           HB3      TYR  77 -14.325   4.150  -9.645
   57    HD1  TYR  77           HD1      TYR  77 -12.684   7.034  -8.044
   58    HD2  TYR  77           HD2      TYR  77 -16.154   5.698 -10.232
   59    HE1  TYR  77           HE1      TYR  77 -13.313   9.403  -8.508
   60    HE2  TYR  77           HE2      TYR  77 -16.752   8.045 -10.719
   61    HH   TYR  77           HH       TYR  77 -16.197  10.298 -10.427
   62    H    ARG  78           H        ARG  78 -15.412   1.949  -8.332
   63    HA   ARG  78           HA       ARG  78 -12.983   0.314  -7.880
   64    HB2  ARG  78           HB2      ARG  78 -14.324   0.059  -5.811
   65    HB3  ARG  78           HB3      ARG  78 -15.720  -0.435  -6.769
   66    HG2  ARG  78           HG2      ARG  78 -14.486  -2.452  -7.558
   67    HG3  ARG  78           HG3      ARG  78 -13.028  -1.897  -6.727
   68    HD2  ARG  78           HD2      ARG  78 -14.047  -3.592  -5.377
   69    HD3  ARG  78           HD3      ARG  78 -14.244  -2.037  -4.549
   70    HE   ARG  78           HE       ARG  78 -16.540  -2.632  -6.213
   71   HH11  ARG  78          HH21      ARG  78 -15.163  -3.624  -3.148
   72   HH12  ARG  78          HH22      ARG  78 -16.709  -4.091  -2.501
   73   HH21  ARG  78          HH11      ARG  78 -18.488  -3.244  -5.321
   74   HH22  ARG  78          HH12      ARG  78 -18.541  -3.879  -3.703
   75    H    ASP  79           H        ASP  79 -12.558  -0.460  -9.812
   76    HA   ASP  79           HA       ASP  79 -14.359  -0.692 -12.016
   77    HB2  ASP  79           HB2      ASP  79 -11.989  -0.383 -12.330
   78    HB3  ASP  79           HB3      ASP  79 -11.621  -1.869 -11.466
   79    HA   PRO  80           HA       PRO  80 -16.105  -4.584 -10.475
   80    HB2  PRO  80           HB2      PRO  80 -18.006  -5.067 -12.389
   81    HB3  PRO  80           HB3      PRO  80 -18.160  -3.791 -11.141
   82    HG2  PRO  80           HG2      PRO  80 -17.187  -3.484 -13.994
   83    HG3  PRO  80           HG3      PRO  80 -18.418  -2.502 -13.131
   84    HD2  PRO  80           HD2      PRO  80 -15.841  -1.681 -13.329
   85    HD3  PRO  80           HD3      PRO  80 -16.781  -1.422 -11.824
   86    H    ALA  81           H        ALA  81 -14.519  -4.243 -13.591
   87    HA   ALA  81           HA       ALA  81 -14.670  -7.057 -14.327
   88    HB1  ALA  81           HB1      ALA  81 -13.021  -4.741 -15.433
   89    HB2  ALA  81           HB2      ALA  81 -13.257  -6.325 -16.204
   90    HB3  ALA  81           HB3      ALA  81 -14.639  -5.232 -15.977
   91    H    THR  82           H        THR  82 -12.327  -5.060 -12.593
   92    HA   THR  82           HA       THR  82 -10.459  -7.408 -12.299
   93    HB   THR  82           HB       THR  82  -8.659  -5.935 -12.280
   94    HG1  THR  82           HG1      THR  82 -10.550  -3.902 -12.929
   95   HG21  THR  82          HG21      THR  82 -10.354  -5.377 -14.731
   96   HG22  THR  82          HG22      THR  82  -8.579  -5.426 -14.619
   97   HG23  THR  82          HG23      THR  82  -9.533  -6.914 -14.377
   98    H    GLY  83           H        GLY  83 -12.173  -4.899 -10.505
   99    HA2  GLY  83           HA2      GLY  83 -12.398  -4.723  -8.203
  100    HA3  GLY  83           HA3      GLY  83 -11.057  -5.839  -7.941
  101    H    LYS  84           H        LYS  84  -9.943  -3.550 -10.147
  102    HA   LYS  84           HA       LYS  84  -8.206  -2.142  -8.334
  103    HB2  LYS  84           HB2      LYS  84  -9.083  -1.602 -11.198
  104    HB3  LYS  84           HB3      LYS  84  -7.892  -0.608 -10.345
  105    HG2  LYS  84           HG2      LYS  84  -6.517  -2.609  -9.879
  106    HG3  LYS  84           HG3      LYS  84  -7.608  -3.601 -10.846
  107    HD2  LYS  84           HD2      LYS  84  -6.148  -1.131 -11.877
  108    HD3  LYS  84           HD3      LYS  84  -5.522  -2.785 -12.031
  109    HE2  LYS  84           HE2      LYS  84  -7.617  -3.408 -13.287
  110    HE3  LYS  84           HE3      LYS  84  -8.120  -1.717 -13.247
  111    HZ1  LYS  84           HZ1      LYS  84  -5.645  -2.755 -14.550
  112    HZ2  LYS  84           HZ2      LYS  84  -6.980  -2.228 -15.329
  113    HZ3  LYS  84           HZ3      LYS  84  -6.056  -1.173 -14.490
  114    H    THR  85           H        THR  85  -8.216  -0.025  -7.581
  115    HA   THR  85           HA       THR  85 -10.865   1.365  -7.508
  116    HB   THR  85           HB       THR  85 -10.368   1.922  -5.110
  117    HG1  THR  85           HG1      THR  85  -8.854   0.570  -4.051
  118   HG21  THR  85          HG21      THR  85 -11.954   0.131  -5.670
  119   HG22  THR  85          HG22      THR  85 -10.631  -1.060  -5.672
  120   HG23  THR  85          HG23      THR  85 -11.086  -0.219  -4.171
  121    H    TRP  86           H        TRP  86 -10.870   3.592  -6.852
  122    HA   TRP  86           HA       TRP  86  -8.325   5.066  -6.832
  123    HB2  TRP  86           HB2      TRP  86  -8.844   4.798  -9.241
  124    HB3  TRP  86           HB3      TRP  86 -10.400   5.569  -8.999
  125    HD1  TRP  86           HD1      TRP  86  -6.694   6.499  -8.229
  126    HE1  TRP  86           HE1      TRP  86  -6.311   8.972  -8.784
  127    HE3  TRP  86           HE3      TRP  86 -11.370   7.671  -9.942
  128    HZ2  TRP  86           HZ2      TRP  86  -7.848  11.190  -9.832
  129    HZ3  TRP  86           HZ3      TRP  86 -11.914   9.992 -10.626
  130    HH2  TRP  86           HH2      TRP  86 -10.195  11.761 -10.512
  131    H    SER  87           H        SER  87  -8.599   7.326  -6.232
  132    HA   SER  87           HA       SER  87 -11.123   7.900  -4.693
  133    HB2  SER  87           HB2      SER  87  -9.656   8.460  -2.785
  134    HB3  SER  87           HB3      SER  87  -9.350   6.798  -3.329
  135    HG   SER  87           HG       SER  87  -7.370   7.876  -3.039
  136    H    GLY  88           H        GLY  88  -8.930   9.282  -6.917
  137    HA2  GLY  88           HA2      GLY  88  -9.478  11.596  -7.638
  138    HA3  GLY  88           HA3      GLY  88  -9.538  12.063  -5.948
  139    H    ARG  89           H        ARG  89  -7.080  10.245  -5.465
  140    HA   ARG  89           HA       ARG  89  -5.046  12.306  -5.752
  141    HB2  ARG  89           HB2      ARG  89  -4.887   9.381  -4.876
  142    HB3  ARG  89           HB3      ARG  89  -3.548  10.530  -4.791
  143    HG2  ARG  89           HG2      ARG  89  -4.912  11.993  -3.277
  144    HG3  ARG  89           HG3      ARG  89  -6.210  10.790  -3.318
  145    HD2  ARG  89           HD2      ARG  89  -4.992  10.440  -1.301
  146    HD3  ARG  89           HD3      ARG  89  -4.624   9.090  -2.396
  147    HE   ARG  89           HE       ARG  89  -2.684  11.239  -2.626
  148   HH11  ARG  89          HH11      ARG  89  -3.472   8.545  -0.536
  149   HH12  ARG  89          HH12      ARG  89  -1.835   8.390   0.045
  150   HH21  ARG  89          HH21      ARG  89  -0.611  10.988  -1.858
  151   HH22  ARG  89          HH22      ARG  89  -0.255   9.754  -0.689
  152    H    GLY  90           H        GLY  90  -3.157  12.289  -6.952
  153    HA2  GLY  90           HA2      GLY  90  -1.776  11.956  -8.774
  154    HA3  GLY  90           HA3      GLY  90  -2.282  10.271  -8.760
  155    H    ARG  91           H        ARG  91  -1.945  10.568 -11.109
  156    HA   ARG  91           HA       ARG  91  -3.874  12.001 -12.777
  157    HB2  ARG  91           HB2      ARG  91  -2.120   9.627 -13.460
  158    HB3  ARG  91           HB3      ARG  91  -3.058  10.656 -14.572
  159    HG2  ARG  91           HG2      ARG  91  -1.723  12.628 -13.915
  160    HG3  ARG  91           HG3      ARG  91  -0.738  11.608 -12.842
  161    HD2  ARG  91           HD2      ARG  91  -0.041  10.241 -14.780
  162    HD3  ARG  91           HD3      ARG  91  -1.013  11.266 -15.856
  163    HE   ARG  91           HE       ARG  91   0.748  12.949 -14.391
  164   HH11  ARG  91          HH11      ARG  91   1.028  10.529 -16.913
  165   HH12  ARG  91          HH12      ARG  91   2.492  11.228 -17.548
  166   HH21  ARG  91          HH21      ARG  91   2.617  13.782 -15.245
  167   HH22  ARG  91          HH22      ARG  91   3.367  13.024 -16.619
  168    H    GLN  92           H        GLN  92  -5.745  11.323 -13.682
  169    HA   GLN  92           HA       GLN  92  -7.350   9.394 -12.344
  170    HB2  GLN  92           HB2      GLN  92  -8.179  11.405 -13.499
  171    HB3  GLN  92           HB3      GLN  92  -7.739  10.696 -15.065
  172    HG2  GLN  92           HG2      GLN  92  -9.322   8.827 -14.630
  173    HG3  GLN  92           HG3      GLN  92  -9.755   9.554 -13.081
  174   HE21  GLN  92          HE22      GLN  92  -9.973   9.956 -16.645
  175   HE22  GLN  92          HE21      GLN  92 -11.284  11.121 -16.562
  176    HA   PRO  93           HA       PRO  93  -6.001   5.606 -14.443
  177    HB2  PRO  93           HB2      PRO  93  -8.747   4.596 -13.797
  178    HB3  PRO  93           HB3      PRO  93  -7.148   3.862 -13.474
  179    HG2  PRO  93           HG2      PRO  93  -8.612   5.059 -11.511
  180    HG3  PRO  93           HG3      PRO  93  -6.822   5.186 -11.558
  181    HD2  PRO  93           HD2      PRO  93  -8.878   7.228 -12.396
  182    HD3  PRO  93           HD3      PRO  93  -7.307   7.444 -11.564
  183    H    ALA  94           H        ALA  94  -6.433   4.323 -16.329
  184    HA   ALA  94           HA       ALA  94  -7.749   5.642 -18.497
  185    HB1  ALA  94           HB1      ALA  94  -7.155   3.597 -19.745
  186    HB2  ALA  94           HB2      ALA  94  -5.802   4.163 -18.746
  187    HB3  ALA  94           HB3      ALA  94  -6.768   2.764 -18.226
  188    H    TRP  95           H        TRP  95  -8.841   2.869 -16.466
  189    HA   TRP  95           HA       TRP  95 -11.237   2.309 -17.935
  190    HB2  TRP  95           HB2      TRP  95 -11.979   1.160 -15.853
  191    HB3  TRP  95           HB3      TRP  95 -10.416   0.650 -16.458
  192    HD1  TRP  95           HD1      TRP  95  -8.270   1.199 -15.000
  193    HE1  TRP  95           HE1      TRP  95  -7.965   1.615 -12.494
  194    HE3  TRP  95           HE3      TRP  95 -13.168   2.185 -13.713
  195    HZ2  TRP  95           HZ2      TRP  95  -9.595   2.220 -10.230
  196    HZ3  TRP  95           HZ3      TRP  95 -13.742   2.575 -11.344
  197    HH2  TRP  95           HH2      TRP  95 -11.979   2.600  -9.599
  198    H    LEU  96           H        LEU  96 -10.571   4.689 -15.442
  199    HA   LEU  96           HA       LEU  96 -13.175   5.477 -14.736
  200    HB2  LEU  96           HB2      LEU  96 -10.516   6.255 -14.170
  201    HB3  LEU  96           HB3      LEU  96 -11.207   7.668 -14.924
  202    HG   LEU  96           HG       LEU  96 -11.330   7.800 -12.537
  203   HD11  LEU  96          HD11      LEU  96 -13.159   8.861 -13.733
  204   HD12  LEU  96          HD12      LEU  96 -14.115   7.375 -13.660
  205   HD13  LEU  96          HD13      LEU  96 -13.705   8.239 -12.170
  206   HD21  LEU  96          HD21      LEU  96 -12.691   6.246 -11.184
  207   HD22  LEU  96          HD22      LEU  96 -12.904   5.201 -12.593
  208   HD23  LEU  96          HD23      LEU  96 -11.289   5.462 -11.932
  209    H    GLY  97           H        GLY  97 -11.275   6.360 -17.580
  210    HA2  GLY  97           HA2      GLY  97 -12.843   8.649 -18.362
  211    HA3  GLY  97           HA3      GLY  97 -11.554   7.875 -19.283
  212    H    ASN  98           H        ASN  98 -14.760   6.687 -18.168
  213    HA   ASN  98           HA       ASN  98 -15.641   6.282 -21.001
  214    HB2  ASN  98           HB2      ASN  98 -15.559   4.127 -18.832
  215    HB3  ASN  98           HB3      ASN  98 -16.467   3.991 -20.338
  216   HD21  ASN  98          HD22      ASN  98 -13.362   3.625 -18.879
  217   HD22  ASN  98          HD21      ASN  98 -12.505   3.239 -20.375
  218    H    ASP  99           H        ASP  99 -16.882   5.557 -17.694
  219    HA   ASP  99           HA       ASP  99 -18.926   7.637 -17.869
  220    HB2  ASP  99           HB2      ASP  99 -19.990   5.846 -19.166
  221    HB3  ASP  99           HB3      ASP  99 -19.756   4.710 -17.839
  222    HA   PRO 100           HA       PRO 100 -16.614   6.872 -13.938
  223    HB2  PRO 100           HB2      PRO 100 -17.896   9.521 -13.355
  224    HB3  PRO 100           HB3      PRO 100 -16.260   8.903 -12.934
  225    HG2  PRO 100           HG2      PRO 100 -16.595  10.525 -15.089
  226    HG3  PRO 100           HG3      PRO 100 -15.499   9.111 -15.162
  227    HD2  PRO 100           HD2      PRO 100 -18.275   9.400 -16.282
  228    HD3  PRO 100           HD3      PRO 100 -16.856   8.543 -16.954
  229    H    ALA 101           H        ALA 101 -20.030   7.974 -13.916
  230    HA   ALA 101           HA       ALA 101 -20.603   7.230 -11.238
  231    HB1  ALA 101           HB1      ALA 101 -22.943   7.543 -11.944
  232    HB2  ALA 101           HB2      ALA 101 -21.897   8.840 -12.556
  233    HB3  ALA 101           HB3      ALA 101 -22.435   7.538 -13.649
  234    H    ALA 102           H        ALA 102 -20.373   5.161 -14.085
  235    HA   ALA 102           HA       ALA 102 -22.221   3.123 -13.307
  236    HB1  ALA 102           HB1      ALA 102 -21.104   1.814 -15.062
  237    HB2  ALA 102           HB2      ALA 102 -21.369   3.481 -15.608
  238    HB3  ALA 102           HB3      ALA 102 -19.752   2.959 -15.093
  239    H    PHE 103           H        PHE 103 -18.882   3.700 -12.367
  240    HA   PHE 103           HA       PHE 103 -18.902   1.290 -10.596
  241    HB2  PHE 103           HB2      PHE 103 -16.389   1.205 -11.196
  242    HB3  PHE 103           HB3      PHE 103 -17.568   0.631 -12.359
  243    HD1  PHE 103           HD1      PHE 103 -15.845   3.860 -11.473
  244    HD2  PHE 103           HD2      PHE 103 -17.284   1.259 -14.588
  245    HE1  PHE 103           HE1      PHE 103 -15.084   5.470 -13.161
  246    HE2  PHE 103           HE2      PHE 103 -16.473   2.859 -16.299
  247    HZ   PHE 103           HZ       PHE 103 -15.371   4.976 -15.596
  248    H    LEU 104           H        LEU 104 -19.349   4.367 -10.241
  249    HA   LEU 104           HA       LEU 104 -17.397   5.096  -8.195
  250    HB2  LEU 104           HB2      LEU 104 -18.939   6.585  -9.700
  251    HB3  LEU 104           HB3      LEU 104 -20.171   6.297  -8.491
  252    HG   LEU 104           HG       LEU 104 -17.405   7.456  -7.909
  253   HD11  LEU 104          HD11      LEU 104 -18.465   9.664  -7.940
  254   HD12  LEU 104          HD12      LEU 104 -18.650   8.883  -9.512
  255   HD13  LEU 104          HD13      LEU 104 -20.025   8.937  -8.394
  256   HD21  LEU 104          HD21      LEU 104 -18.545   6.661  -5.862
  257   HD22  LEU 104          HD22      LEU 104 -18.410   8.403  -5.887
  258   HD23  LEU 104          HD23      LEU 104 -19.971   7.633  -6.268
  259    H    ILE 105           H        ILE 105 -17.501   4.545  -6.061
  260    HA   ILE 105           HA       ILE 105 -19.203   2.356  -5.205
  261    HB   ILE 105           HB       ILE 105 -17.249   4.109  -3.663
  262   HG12  ILE 105          HG12      ILE 105 -16.860   1.241  -4.625
  263   HG13  ILE 105          HG13      ILE 105 -16.357   2.630  -5.581
  264   HG21  ILE 105          HG21      ILE 105 -18.621   1.494  -2.848
  265   HG22  ILE 105          HG22      ILE 105 -17.339   2.312  -1.934
  266   HG23  ILE 105          HG23      ILE 105 -18.902   3.090  -2.114
  267   HD11  ILE 105          HD11      ILE 105 -15.311   1.915  -2.825
  268   HD12  ILE 105          HD12      ILE 105 -14.435   1.905  -4.361
  269   HD13  ILE 105          HD13      ILE 105 -14.989   3.446  -3.674
  270    H    GLN 106           H        GLN 106 -21.196   2.478  -4.440
  271    HA   GLN 106           HA       GLN 106 -22.296   4.990  -3.261
  272    HB2  GLN 106           HB2      GLN 106 -23.241   3.435  -5.698
  273    HB3  GLN 106           HB3      GLN 106 -24.326   4.506  -4.818
  274    HG2  GLN 106           HG2      GLN 106 -23.044   6.452  -5.335
  275    HG3  GLN 106           HG3      GLN 106 -21.680   5.509  -5.926
  276   HE21  GLN 106          HE22      GLN 106 -21.861   4.364  -7.969
  277   HE22  GLN 106          HE21      GLN 106 -23.020   4.935  -9.168
  278    HA   PRO 107           HA       PRO 107 -24.411   2.440  -0.382
  279    HB2  PRO 107           HB2      PRO 107 -27.011   3.817  -1.046
  280    HB3  PRO 107           HB3      PRO 107 -26.243   3.576   0.554
  281    HG2  PRO 107           HG2      PRO 107 -26.124   5.981  -0.689
  282    HG3  PRO 107           HG3      PRO 107 -24.666   5.320   0.129
  283    HD2  PRO 107           HD2      PRO 107 -25.347   5.273  -2.816
  284    HD3  PRO 107           HD3      PRO 107 -23.808   5.691  -2.009
  285    H    ASP 108           H        ASP 108 -25.546   2.265  -3.583
  286    HA   ASP 108           HA       ASP 108 -27.004   1.033  -4.797
  287    HB2  ASP 108           HB2      ASP 108 -25.174  -0.579  -4.183
  288    HB3  ASP 108           HB3      ASP 108 -26.221  -1.215  -2.913
  289    H    LEU 109           H        LEU 109 -28.181   2.404  -2.494
  290    HA   LEU 109           HA       LEU 109 -30.848   1.136  -2.424
  291    HB2  LEU 109           HB2      LEU 109 -29.176   2.034  -0.044
  292    HB3  LEU 109           HB3      LEU 109 -30.916   1.826   0.060
  293    HG   LEU 109           HG       LEU 109 -28.963  -0.421  -0.628
  294   HD11  LEU 109          HD11      LEU 109 -28.697   0.403   1.679
  295   HD12  LEU 109          HD12      LEU 109 -30.439   0.205   1.961
  296   HD13  LEU 109          HD13      LEU 109 -29.415  -1.214   1.643
  297   HD21  LEU 109          HD21      LEU 109 -31.943  -0.469   0.039
  298   HD22  LEU 109          HD22      LEU 109 -31.216  -0.857  -1.537
  299   HD23  LEU 109          HD23      LEU 109 -30.903  -1.894  -0.145
  300    HA   PRO 110           HA       PRO 110 -32.394   5.333  -2.973
  301    HB2  PRO 110           HB2      PRO 110 -34.204   4.779  -0.655
  302    HB3  PRO 110           HB3      PRO 110 -34.564   5.475  -2.273
  303    HG2  PRO 110           HG2      PRO 110 -35.163   2.874  -1.707
  304    HG3  PRO 110           HG3      PRO 110 -34.468   3.330  -3.300
  305    HD2  PRO 110           HD2      PRO 110 -33.061   2.156  -0.895
  306    HD3  PRO 110           HD3      PRO 110 -32.895   1.734  -2.628
  307    H    ALA 111           H        ALA 111 -31.991   7.362  -2.206
  308    HA   ALA 111           HA       ALA 111 -31.353   7.818   0.651
  309    HB1  ALA 111           HB1      ALA 111 -29.260   8.989   0.036
  310    HB2  ALA 111           HB2      ALA 111 -29.214   7.321  -0.554
  311    HB3  ALA 111           HB3      ALA 111 -29.563   8.655  -1.681
  312    H    ILE 112           H        ILE 112 -33.643   8.393  -0.750
  313    HA   ILE 112           HA       ILE 112 -33.883  11.353  -0.543
  314    HB   ILE 112           HB       ILE 112 -35.039   9.697  -2.823
  315   HG12  ILE 112          HG12      ILE 112 -32.641  10.072  -3.214
  316   HG13  ILE 112          HG13      ILE 112 -33.675  10.886  -4.373
  317   HG21  ILE 112          HG21      ILE 112 -35.272  12.674  -2.192
  318   HG22  ILE 112          HG22      ILE 112 -35.697  11.945  -3.754
  319   HG23  ILE 112          HG23      ILE 112 -36.588  11.486  -2.309
  320   HD11  ILE 112          HD11      ILE 112 -31.695  12.232  -3.664
  321   HD12  ILE 112          HD12      ILE 112 -33.236  13.058  -3.394
  322   HD13  ILE 112          HD13      ILE 112 -32.364  12.334  -2.027
  323    H    LEU 113           H        LEU 113 -34.497  10.663   1.519
  324    HA   LEU 113           HA       LEU 113 -37.341   9.897   1.833
  325    HB2  LEU 113           HB2      LEU 113 -35.989   7.794   1.749
  326    HB3  LEU 113           HB3      LEU 113 -34.972   8.403   3.052
  327    HG   LEU 113           HG       LEU 113 -36.929   8.359   4.596
  328   HD11  LEU 113          HD11      LEU 113 -38.799   8.617   2.996
  329   HD12  LEU 113          HD12      LEU 113 -38.379   7.067   2.237
  330   HD13  LEU 113          HD13      LEU 113 -38.975   7.122   3.913
  331   HD21  LEU 113          HD21      LEU 113 -36.426   5.731   3.143
  332   HD22  LEU 113          HD22      LEU 113 -35.411   6.424   4.430
  333   HD23  LEU 113          HD23      LEU 113 -37.064   5.917   4.792
  334    H    GLU 114           H        GLU 114 -38.258  10.644   3.738
  335    HA   GLU 114           HA       GLU 114 -36.660  11.973   5.838
  336    HB2  GLU 114           HB2      GLU 114 -37.034  13.678   4.178
  337    HB3  GLU 114           HB3      GLU 114 -38.781  13.407   4.246
  338    HG2  GLU 114           HG2      GLU 114 -38.333  15.352   5.536
  339    HG3  GLU 114           HG3      GLU 114 -38.706  14.086   6.690
  Start of MODEL    5
    1    H1   MET  71           H1       MET  71  -6.139   9.088  11.926
    2    H2   MET  71           H2       MET  71  -5.746   7.663  11.230
    3    H3   MET  71           H3       MET  71  -5.704   9.040  10.347
    4    HA   MET  71           HA       MET  71  -8.132   7.809  11.498
    5    HB2  MET  71           HB2      MET  71  -8.260  10.293  11.415
    6    HB3  MET  71           HB3      MET  71  -7.906  10.259   9.684
    7    HG2  MET  71           HG2      MET  71 -10.294  10.566  10.138
    8    HG3  MET  71           HG3      MET  71 -10.001   9.093   9.236
    9    HE1  MET  71           HE1      MET  71 -13.188   8.184  11.293
   10    HE2  MET  71           HE2      MET  71 -12.776   9.759  10.577
   11    HE3  MET  71           HE3      MET  71 -12.439   8.258   9.683
   12    H    SER  72           H        SER  72  -9.178   6.312  10.267
   13    HA   SER  72           HA       SER  72  -7.937   5.064   8.046
   14    HB2  SER  72           HB2      SER  72 -10.848   4.955   8.922
   15    HB3  SER  72           HB3      SER  72 -10.018   3.773   7.898
   16    HG   SER  72           HG       SER  72 -10.083   3.096  10.096
   17    H    THR  73           H        THR  73  -8.700   4.772   5.878
   18    HA   THR  73           HA       THR  73 -10.362   6.936   4.646
   19    HB   THR  73           HB       THR  73  -8.900   7.258   2.902
   20    HG1  THR  73           HG1      THR  73  -6.797   6.345   2.875
   21   HG21  THR  73          HG21      THR  73  -7.080   8.490   3.929
   22   HG22  THR  73          HG22      THR  73  -8.548   8.682   4.900
   23   HG23  THR  73          HG23      THR  73  -7.261   7.586   5.446
   24    H    VAL  74           H        VAL  74 -11.012   6.431   2.414
   25    HA   VAL  74           HA       VAL  74 -11.232   3.546   1.742
   26    HB   VAL  74           HB       VAL  74 -13.677   3.853   1.283
   27   HG11  VAL  74          HG11      VAL  74 -12.865   2.699   3.323
   28   HG12  VAL  74          HG12      VAL  74 -12.963   4.238   4.211
   29   HG13  VAL  74          HG13      VAL  74 -14.432   3.501   3.548
   30   HG21  VAL  74          HG21      VAL  74 -13.806   6.330   1.242
   31   HG22  VAL  74          HG22      VAL  74 -14.945   5.606   2.380
   32   HG23  VAL  74          HG23      VAL  74 -13.469   6.368   2.989
   33    HA   PRO  75           HA       PRO  75 -10.967   5.142  -2.473
   34    HB2  PRO  75           HB2      PRO  75 -12.234   3.214  -3.924
   35    HB3  PRO  75           HB3      PRO  75 -10.632   2.972  -3.170
   36    HG2  PRO  75           HG2      PRO  75 -13.341   2.166  -2.065
   37    HG3  PRO  75           HG3      PRO  75 -11.870   1.152  -2.233
   38    HD2  PRO  75           HD2      PRO  75 -12.510   2.353   0.112
   39    HD3  PRO  75           HD3      PRO  75 -10.810   2.249  -0.419
   40    H    LYS  76           H        LYS  76 -12.244   5.840  -4.202
   41    HA   LYS  76           HA       LYS  76 -15.036   6.706  -3.530
   42    HB2  LYS  76           HB2      LYS  76 -13.410   8.481  -3.502
   43    HB3  LYS  76           HB3      LYS  76 -12.971   8.171  -5.197
   44    HG2  LYS  76           HG2      LYS  76 -15.233   8.793  -5.913
   45    HG3  LYS  76           HG3      LYS  76 -15.755   8.977  -4.231
   46    HD2  LYS  76           HD2      LYS  76 -14.212  10.845  -3.905
   47    HD3  LYS  76           HD3      LYS  76 -13.492  10.598  -5.505
   48    HE2  LYS  76           HE2      LYS  76 -15.668  11.099  -6.577
   49    HE3  LYS  76           HE3      LYS  76 -16.408  11.349  -4.990
   50    HZ1  LYS  76           HZ1      LYS  76 -14.199  12.992  -6.135
   51    HZ2  LYS  76           HZ2      LYS  76 -15.749  13.468  -5.978
   52    HZ3  LYS  76           HZ3      LYS  76 -14.847  13.218  -4.645
   53    H    TYR  77           H        TYR  77 -13.051   4.970  -5.806
   54    HA   TYR  77           HA       TYR  77 -15.439   4.367  -7.471
   55    HB2  TYR  77           HB2      TYR  77 -12.729   5.020  -8.659
   56    HB3  TYR  77           HB3      TYR  77 -14.243   4.782  -9.505
   57    HD1  TYR  77           HD1      TYR  77 -12.251   7.083  -7.389
   58    HD2  TYR  77           HD2      TYR  77 -15.789   6.655  -9.811
   59    HE1  TYR  77           HE1      TYR  77 -12.507   9.556  -7.447
   60    HE2  TYR  77           HE2      TYR  77 -16.006   9.142  -9.911
   61    HH   TYR  77           HH       TYR  77 -15.113  11.175  -9.292
   62    H    ARG  78           H        ARG  78 -15.416   2.252  -8.310
   63    HA   ARG  78           HA       ARG  78 -12.920   0.680  -8.257
   64    HB2  ARG  78           HB2      ARG  78 -13.987   0.276  -6.048
   65    HB3  ARG  78           HB3      ARG  78 -15.436  -0.339  -6.864
   66    HG2  ARG  78           HG2      ARG  78 -14.104  -2.181  -7.857
   67    HG3  ARG  78           HG3      ARG  78 -12.624  -1.466  -7.206
   68    HD2  ARG  78           HD2      ARG  78 -13.718  -1.749  -4.875
   69    HD3  ARG  78           HD3      ARG  78 -14.872  -2.817  -5.704
   70    HE   ARG  78           HE       ARG  78 -12.081  -3.442  -6.314
   71   HH11  ARG  78          HH21      ARG  78 -14.492  -4.022  -3.830
   72   HH12  ARG  78          HH22      ARG  78 -13.675  -5.446  -3.249
   73   HH21  ARG  78          HH11      ARG  78 -11.089  -5.221  -5.523
   74   HH22  ARG  78          HH12      ARG  78 -11.786  -6.117  -4.203
   75    H    ASP  79           H        ASP  79 -12.688  -0.238 -10.135
   76    HA   ASP  79           HA       ASP  79 -14.669  -0.416 -12.200
   77    HB2  ASP  79           HB2      ASP  79 -12.352  -0.211 -12.753
   78    HB3  ASP  79           HB3      ASP  79 -11.926  -1.634 -11.808
   79    HA   PRO  80           HA       PRO  80 -16.298  -4.350 -10.510
   80    HB2  PRO  80           HB2      PRO  80 -18.418  -4.767 -12.183
   81    HB3  PRO  80           HB3      PRO  80 -18.419  -3.522 -10.896
   82    HG2  PRO  80           HG2      PRO  80 -17.783  -3.152 -13.837
   83    HG3  PRO  80           HG3      PRO  80 -18.904  -2.190 -12.819
   84    HD2  PRO  80           HD2      PRO  80 -16.354  -1.374 -13.300
   85    HD3  PRO  80           HD3      PRO  80 -17.133  -1.120 -11.707
   86    H    ALA  81           H        ALA  81 -15.123  -3.852 -13.794
   87    HA   ALA  81           HA       ALA  81 -15.437  -6.576 -14.692
   88    HB1  ALA  81           HB1      ALA  81 -13.695  -4.311 -15.744
   89    HB2  ALA  81           HB2      ALA  81 -14.135  -5.795 -16.614
   90    HB3  ALA  81           HB3      ALA  81 -15.388  -4.610 -16.185
   91    H    THR  82           H        THR  82 -12.715  -4.811 -13.210
   92    HA   THR  82           HA       THR  82 -11.133  -7.366 -13.013
   93    HB   THR  82           HB       THR  82  -9.165  -6.166 -13.226
   94    HG1  THR  82           HG1      THR  82 -10.814  -3.878 -13.624
   95   HG21  THR  82          HG21      THR  82 -10.383  -7.022 -15.194
   96   HG22  THR  82          HG22      THR  82 -11.001  -5.385 -15.507
   97   HG23  THR  82          HG23      THR  82  -9.250  -5.699 -15.565
   98    H    GLY  83           H        GLY  83 -12.516  -4.802 -11.111
   99    HA2  GLY  83           HA2      GLY  83 -12.686  -4.818  -8.795
  100    HA3  GLY  83           HA3      GLY  83 -11.315  -5.920  -8.664
  101    H    LYS  84           H        LYS  84 -10.285  -3.469 -10.674
  102    HA   LYS  84           HA       LYS  84  -8.413  -2.319  -8.851
  103    HB2  LYS  84           HB2      LYS  84  -9.431  -1.436 -11.586
  104    HB3  LYS  84           HB3      LYS  84  -8.116  -0.621 -10.724
  105    HG2  LYS  84           HG2      LYS  84  -6.828  -2.693 -10.607
  106    HG3  LYS  84           HG3      LYS  84  -8.108  -3.589 -11.423
  107    HD2  LYS  84           HD2      LYS  84  -7.859  -2.107 -13.425
  108    HD3  LYS  84           HD3      LYS  84  -6.501  -1.284 -12.619
  109    HE2  LYS  84           HE2      LYS  84  -5.297  -3.469 -12.466
  110    HE3  LYS  84           HE3      LYS  84  -6.651  -4.272 -13.266
  111    HZ1  LYS  84           HZ1      LYS  84  -4.879  -3.735 -14.849
  112    HZ2  LYS  84           HZ2      LYS  84  -6.221  -2.892 -15.239
  113    HZ3  LYS  84           HZ3      LYS  84  -4.968  -2.142 -14.492
  114    H    THR  85           H        THR  85  -8.268  -0.324  -7.856
  115    HA   THR  85           HA       THR  85 -10.830   1.176  -7.400
  116    HB   THR  85           HB       THR  85  -9.923   1.530  -5.064
  117    HG1  THR  85           HG1      THR  85  -8.354   0.038  -4.364
  118   HG21  THR  85          HG21      THR  85 -10.504  -1.352  -5.841
  119   HG22  THR  85          HG22      THR  85 -10.595  -0.668  -4.198
  120   HG23  THR  85          HG23      THR  85 -11.700  -0.089  -5.448
  121    H    TRP  86           H        TRP  86 -10.741   3.343  -6.761
  122    HA   TRP  86           HA       TRP  86  -8.189   4.776  -6.636
  123    HB2  TRP  86           HB2      TRP  86  -8.637   4.716  -9.056
  124    HB3  TRP  86           HB3      TRP  86 -10.232   5.411  -8.801
  125    HD1  TRP  86           HD1      TRP  86  -6.603   6.463  -7.826
  126    HE1  TRP  86           HE1      TRP  86  -6.327   8.983  -8.250
  127    HE3  TRP  86           HE3      TRP  86 -11.218   7.459  -9.801
  128    HZ2  TRP  86           HZ2      TRP  86  -7.994  11.183  -9.084
  129    HZ3  TRP  86           HZ3      TRP  86 -11.885   9.800 -10.297
  130    HH2  TRP  86           HH2      TRP  86 -10.339  11.663  -9.842
  131    H    SER  87           H        SER  87  -8.545   7.082  -5.940
  132    HA   SER  87           HA       SER  87 -11.017   7.346  -4.254
  133    HB2  SER  87           HB2      SER  87  -9.515   8.008  -2.415
  134    HB3  SER  87           HB3      SER  87  -9.089   6.402  -3.036
  135    HG   SER  87           HG       SER  87  -7.222   7.731  -2.795
  136    H    GLY  88           H        GLY  88  -9.072   9.103  -6.470
  137    HA2  GLY  88           HA2      GLY  88  -9.973  11.356  -7.059
  138    HA3  GLY  88           HA3      GLY  88 -10.017  11.730  -5.345
  139    H    ARG  89           H        ARG  89  -7.287  10.192  -5.156
  140    HA   ARG  89           HA       ARG  89  -5.562  12.496  -5.317
  141    HB2  ARG  89           HB2      ARG  89  -5.338  10.614  -3.695
  142    HB3  ARG  89           HB3      ARG  89  -4.864   9.534  -5.011
  143    HG2  ARG  89           HG2      ARG  89  -2.859  10.946  -5.445
  144    HG3  ARG  89           HG3      ARG  89  -3.371  12.069  -4.170
  145    HD2  ARG  89           HD2      ARG  89  -3.182  10.211  -2.497
  146    HD3  ARG  89           HD3      ARG  89  -2.691   9.120  -3.790
  147    HE   ARG  89           HE       ARG  89  -0.577  10.083  -3.881
  148   HH11  ARG  89          HH11      ARG  89  -2.504  12.024  -1.673
  149   HH12  ARG  89          HH12      ARG  89  -1.109  12.872  -1.065
  150   HH21  ARG  89          HH21      ARG  89   1.144  11.218  -3.068
  151   HH22  ARG  89          HH22      ARG  89   0.898  12.428  -1.841
  152    H    GLY  90           H        GLY  90  -4.377  13.276  -6.957
  153    HA2  GLY  90           HA2      GLY  90  -3.249  13.466  -8.976
  154    HA3  GLY  90           HA3      GLY  90  -3.114  11.710  -9.018
  155    H    ARG  91           H        ARG  91  -3.364  12.141 -11.366
  156    HA   ARG  91           HA       ARG  91  -5.925  12.846 -12.528
  157    HB2  ARG  91           HB2      ARG  91  -3.836  13.048 -13.680
  158    HB3  ARG  91           HB3      ARG  91  -3.587  11.292 -13.660
  159    HG2  ARG  91           HG2      ARG  91  -5.611  11.003 -15.068
  160    HG3  ARG  91           HG3      ARG  91  -5.888  12.751 -15.059
  161    HD2  ARG  91           HD2      ARG  91  -3.412  11.360 -16.165
  162    HD3  ARG  91           HD3      ARG  91  -4.799  11.877 -17.139
  163    HE   ARG  91           HE       ARG  91  -4.022  14.185 -15.798
  164   HH11  ARG  91          HH11      ARG  91  -2.452  12.044 -18.086
  165   HH12  ARG  91          HH12      ARG  91  -1.404  13.300 -18.681
  166   HH21  ARG  91          HH21      ARG  91  -2.663  15.742 -16.606
  167   HH22  ARG  91          HH22      ARG  91  -1.533  15.343 -17.873
  168    H    GLN  92           H        GLN  92  -7.618  11.528 -13.160
  169    HA   GLN  92           HA       GLN  92  -8.159   9.124 -11.779
  170    HB2  GLN  92           HB2      GLN  92 -10.104   8.935 -13.146
  171    HB3  GLN  92           HB3      GLN  92  -9.926  10.591 -12.611
  172    HG2  GLN  92           HG2      GLN  92  -9.084   9.689 -15.412
  173    HG3  GLN  92           HG3      GLN  92 -10.735  10.083 -15.001
  174   HE21  GLN  92          HE22      GLN  92 -10.647  11.780 -16.648
  175   HE22  GLN  92          HE21      GLN  92  -9.870  13.301 -16.241
  176    HA   PRO  93           HA       PRO  93  -6.176   6.030 -14.296
  177    HB2  PRO  93           HB2      PRO  93  -7.562   3.768 -13.693
  178    HB3  PRO  93           HB3      PRO  93  -6.545   4.618 -12.490
  179    HG2  PRO  93           HG2      PRO  93  -9.548   4.861 -12.885
  180    HG3  PRO  93           HG3      PRO  93  -8.649   4.562 -11.363
  181    HD2  PRO  93           HD2      PRO  93  -9.457   7.064 -12.075
  182    HD3  PRO  93           HD3      PRO  93  -7.892   6.789 -11.256
  183    H    ALA  94           H        ALA  94  -6.460   4.616 -16.144
  184    HA   ALA  94           HA       ALA  94  -7.952   5.795 -18.176
  185    HB1  ALA  94           HB1      ALA  94  -7.200   3.885 -19.538
  186    HB2  ALA  94           HB2      ALA  94  -5.901   4.486 -18.494
  187    HB3  ALA  94           HB3      ALA  94  -6.770   2.988 -18.063
  188    H    TRP  95           H        TRP  95  -8.934   2.945 -16.221
  189    HA   TRP  95           HA       TRP  95 -11.182   2.201 -17.835
  190    HB2  TRP  95           HB2      TRP  95 -11.982   1.059 -15.736
  191    HB3  TRP  95           HB3      TRP  95 -10.407   0.583 -16.347
  192    HD1  TRP  95           HD1      TRP  95  -8.345   0.926 -14.834
  193    HE1  TRP  95           HE1      TRP  95  -8.044   1.409 -12.331
  194    HE3  TRP  95           HE3      TRP  95 -13.139   2.450 -13.699
  195    HZ2  TRP  95           HZ2      TRP  95  -9.660   2.261 -10.128
  196    HZ3  TRP  95           HZ3      TRP  95 -13.701   3.073 -11.381
  197    HH2  TRP  95           HH2      TRP  95 -11.991   2.964  -9.596
  198    H    LEU  96           H        LEU  96 -10.860   4.826 -15.500
  199    HA   LEU  96           HA       LEU  96 -13.666   5.087 -14.969
  200    HB2  LEU  96           HB2      LEU  96 -11.527   6.029 -13.692
  201    HB3  LEU  96           HB3      LEU  96 -11.728   7.402 -14.776
  202    HG   LEU  96           HG       LEU  96 -14.241   7.360 -13.935
  203   HD11  LEU  96          HD11      LEU  96 -12.889   5.956 -11.595
  204   HD12  LEU  96          HD12      LEU  96 -14.603   6.396 -11.782
  205   HD13  LEU  96          HD13      LEU  96 -13.897   5.112 -12.778
  206   HD21  LEU  96          HD21      LEU  96 -12.687   9.166 -13.367
  207   HD22  LEU  96          HD22      LEU  96 -13.683   8.724 -11.969
  208   HD23  LEU  96          HD23      LEU  96 -12.000   8.166 -12.065
  209    H    GLY  97           H        GLY  97 -11.778   6.040 -17.687
  210    HA2  GLY  97           HA2      GLY  97 -12.587   8.493 -18.524
  211    HA3  GLY  97           HA3      GLY  97 -12.228   7.154 -19.619
  212    H    ASN  98           H        ASN  98 -14.424   5.525 -19.215
  213    HA   ASN  98           HA       ASN  98 -16.163   6.587 -21.168
  214    HB2  ASN  98           HB2      ASN  98 -15.797   4.181 -20.809
  215    HB3  ASN  98           HB3      ASN  98 -16.599   4.263 -19.239
  216   HD21  ASN  98          HD22      ASN  98 -18.620   3.312 -19.418
  217   HD22  ASN  98          HD21      ASN  98 -19.679   3.533 -20.795
  218    H    ASP  99           H        ASP  99 -16.956   6.108 -17.680
  219    HA   ASP  99           HA       ASP  99 -18.701   8.400 -17.499
  220    HB2  ASP  99           HB2      ASP  99 -20.215   7.051 -18.850
  221    HB3  ASP  99           HB3      ASP  99 -19.989   5.662 -17.795
  222    HA   PRO 100           HA       PRO 100 -16.832   7.186 -13.415
  223    HB2  PRO 100           HB2      PRO 100 -18.335   9.709 -12.804
  224    HB3  PRO 100           HB3      PRO 100 -16.762   9.108 -12.170
  225    HG2  PRO 100           HG2      PRO 100 -16.798  10.921 -14.183
  226    HG3  PRO 100           HG3      PRO 100 -15.668   9.532 -14.246
  227    HD2  PRO 100           HD2      PRO 100 -18.275   9.893 -15.708
  228    HD3  PRO 100           HD3      PRO 100 -16.744   9.157 -16.271
  229    H    ALA 101           H        ALA 101 -20.304   8.007 -13.899
  230    HA   ALA 101           HA       ALA 101 -21.227   7.001 -11.426
  231    HB1  ALA 101           HB1      ALA 101 -23.441   7.048 -12.501
  232    HB2  ALA 101           HB2      ALA 101 -22.509   8.507 -12.907
  233    HB3  ALA 101           HB3      ALA 101 -22.678   7.195 -14.097
  234    H    ALA 102           H        ALA 102 -20.167   5.152 -14.219
  235    HA   ALA 102           HA       ALA 102 -21.676   2.755 -13.709
  236    HB1  ALA 102           HB1      ALA 102 -19.010   3.180 -15.115
  237    HB2  ALA 102           HB2      ALA 102 -20.039   1.739 -15.240
  238    HB3  ALA 102           HB3      ALA 102 -20.614   3.296 -15.870
  239    H    PHE 103           H        PHE 103 -18.772   4.053 -12.232
  240    HA   PHE 103           HA       PHE 103 -18.461   1.624 -10.527
  241    HB2  PHE 103           HB2      PHE 103 -15.853   2.386 -10.978
  242    HB3  PHE 103           HB3      PHE 103 -16.706   1.048 -11.711
  243    HD1  PHE 103           HD1      PHE 103 -16.457   4.764 -12.358
  244    HD2  PHE 103           HD2      PHE 103 -16.385   0.762 -13.973
  245    HE1  PHE 103           HE1      PHE 103 -16.160   5.666 -14.643
  246    HE2  PHE 103           HE2      PHE 103 -16.056   1.685 -16.246
  247    HZ   PHE 103           HZ       PHE 103 -15.948   4.140 -16.584
  248    H    LEU 104           H        LEU 104 -18.984   4.886 -10.378
  249    HA   LEU 104           HA       LEU 104 -17.505   5.793  -8.161
  250    HB2  LEU 104           HB2      LEU 104 -19.992   6.448  -9.569
  251    HB3  LEU 104           HB3      LEU 104 -20.127   6.779  -7.849
  252    HG   LEU 104           HG       LEU 104 -17.888   7.818  -9.615
  253   HD11  LEU 104          HD11      LEU 104 -20.065   8.768 -10.279
  254   HD12  LEU 104          HD12      LEU 104 -20.379   9.236  -8.591
  255   HD13  LEU 104          HD13      LEU 104 -19.048   9.988  -9.505
  256   HD21  LEU 104          HD21      LEU 104 -17.176   7.806  -7.280
  257   HD22  LEU 104          HD22      LEU 104 -17.568   9.456  -7.711
  258   HD23  LEU 104          HD23      LEU 104 -18.721   8.502  -6.751
  259    H    ILE 105           H        ILE 105 -17.782   5.848  -6.003
  260    HA   ILE 105           HA       ILE 105 -19.644   3.913  -4.676
  261    HB   ILE 105           HB       ILE 105 -16.898   4.777  -3.693
  262   HG12  ILE 105          HG12      ILE 105 -17.606   2.060  -4.878
  263   HG13  ILE 105          HG13      ILE 105 -16.736   3.314  -5.762
  264   HG21  ILE 105          HG21      ILE 105 -17.299   2.921  -2.047
  265   HG22  ILE 105          HG22      ILE 105 -18.514   4.180  -1.922
  266   HG23  ILE 105          HG23      ILE 105 -18.907   2.669  -2.773
  267   HD11  ILE 105          HD11      ILE 105 -15.767   1.879  -3.277
  268   HD12  ILE 105          HD12      ILE 105 -15.058   1.896  -4.894
  269   HD13  ILE 105          HD13      ILE 105 -15.025   3.369  -3.906
  270    H    GLN 106           H        GLN 106 -21.011   4.810  -3.285
  271    HA   GLN 106           HA       GLN 106 -20.432   7.452  -2.024
  272    HB2  GLN 106           HB2      GLN 106 -23.026   6.616  -3.385
  273    HB3  GLN 106           HB3      GLN 106 -22.855   8.038  -2.342
  274    HG2  GLN 106           HG2      GLN 106 -21.115   8.946  -3.885
  275    HG3  GLN 106           HG3      GLN 106 -21.380   7.582  -4.971
  276   HE21  GLN 106          HE22      GLN 106 -22.212  10.794  -4.574
  277   HE22  GLN 106          HE21      GLN 106 -23.752  10.752  -5.419
  278    HA   PRO 107           HA       PRO 107 -21.557   5.248   1.589
  279    HB2  PRO 107           HB2      PRO 107 -21.873   7.212   3.444
  280    HB3  PRO 107           HB3      PRO 107 -20.317   6.946   2.601
  281    HG2  PRO 107           HG2      PRO 107 -22.493   8.937   1.872
  282    HG3  PRO 107           HG3      PRO 107 -20.751   9.262   2.123
  283    HD2  PRO 107           HD2      PRO 107 -21.780   8.837  -0.362
  284    HD3  PRO 107           HD3      PRO 107 -20.167   8.212   0.098
  285    H    ASP 108           H        ASP 108 -24.017   6.943   0.053
  286    HA   ASP 108           HA       ASP 108 -26.229   7.349   0.335
  287    HB2  ASP 108           HB2      ASP 108 -26.093   4.910  -0.167
  288    HB3  ASP 108           HB3      ASP 108 -26.240   4.576   1.559
  289    H    LEU 109           H        LEU 109 -24.687   8.474   2.389
  290    HA   LEU 109           HA       LEU 109 -26.659   8.832   4.564
  291    HB2  LEU 109           HB2      LEU 109 -24.931   7.030   5.155
  292    HB3  LEU 109           HB3      LEU 109 -23.691   8.267   4.984
  293    HG   LEU 109           HG       LEU 109 -24.934   9.562   6.840
  294   HD11  LEU 109          HD11      LEU 109 -26.197   6.806   7.267
  295   HD12  LEU 109          HD12      LEU 109 -26.356   8.220   8.332
  296   HD13  LEU 109          HD13      LEU 109 -27.087   8.230   6.721
  297   HD21  LEU 109          HD21      LEU 109 -23.727   6.836   7.477
  298   HD22  LEU 109          HD22      LEU 109 -22.837   8.350   7.226
  299   HD23  LEU 109          HD23      LEU 109 -23.916   8.188   8.619
  300    HA   PRO 110           HA       PRO 110 -25.274  13.051   3.675
  301    HB2  PRO 110           HB2      PRO 110 -26.225  14.413   5.865
  302    HB3  PRO 110           HB3      PRO 110 -27.251  13.844   4.517
  303    HG2  PRO 110           HG2      PRO 110 -26.773  12.502   7.190
  304    HG3  PRO 110           HG3      PRO 110 -28.331  12.771   6.352
  305    HD2  PRO 110           HD2      PRO 110 -27.033  10.392   6.220
  306    HD3  PRO 110           HD3      PRO 110 -27.908  11.033   4.804
  307    H    ALA 111           H        ALA 111 -23.460  14.217   4.041
  308    HA   ALA 111           HA       ALA 111 -21.845  13.971   6.500
  309    HB1  ALA 111           HB1      ALA 111 -20.960  12.962   3.753
  310    HB2  ALA 111           HB2      ALA 111 -19.920  13.056   5.197
  311    HB3  ALA 111           HB3      ALA 111 -21.300  11.947   5.172
  312    H    ILE 112           H        ILE 112 -19.759  15.236   6.233
  313    HA   ILE 112           HA       ILE 112 -20.326  17.841   5.003
  314    HB   ILE 112           HB       ILE 112 -19.718  17.515   7.389
  315   HG12  ILE 112          HG12      ILE 112 -19.795  19.698   6.540
  316   HG13  ILE 112          HG13      ILE 112 -18.455  19.522   7.663
  317   HG21  ILE 112          HG21      ILE 112 -17.481  17.382   8.165
  318   HG22  ILE 112          HG22      ILE 112 -17.828  15.939   7.191
  319   HG23  ILE 112          HG23      ILE 112 -16.826  17.247   6.532
  320   HD11  ILE 112          HD11      ILE 112 -17.785  20.966   5.854
  321   HD12  ILE 112          HD12      ILE 112 -16.868  19.458   5.724
  322   HD13  ILE 112          HD13      ILE 112 -18.248  19.767   4.637
  323    H    LEU 113           H        LEU 113 -20.243  16.460   3.112
  324    HA   LEU 113           HA       LEU 113 -17.602  16.631   1.681
  325    HB2  LEU 113           HB2      LEU 113 -19.754  14.490   1.473
  326    HB3  LEU 113           HB3      LEU 113 -18.320  14.569   0.459
  327    HG   LEU 113           HG       LEU 113 -18.298  14.134   3.477
  328   HD11  LEU 113          HD11      LEU 113 -17.766  12.203   1.178
  329   HD12  LEU 113          HD12      LEU 113 -17.650  11.836   2.912
  330   HD13  LEU 113          HD13      LEU 113 -19.220  12.227   2.193
  331   HD21  LEU 113          HD21      LEU 113 -15.916  13.528   3.137
  332   HD22  LEU 113          HD22      LEU 113 -16.028  14.013   1.430
  333   HD23  LEU 113          HD23      LEU 113 -16.205  15.219   2.723
  334    H    GLU 114           H        GLU 114 -20.423  18.176   1.763
  335    HA   GLU 114           HA       GLU 114 -20.391  18.946  -1.085
  336    HB2  GLU 114           HB2      GLU 114 -21.974  17.163  -1.036
  337    HB3  GLU 114           HB3      GLU 114 -22.879  17.918   0.291
  338    HG2  GLU 114           HG2      GLU 114 -23.432  19.831  -1.200
  339    HG3  GLU 114           HG3      GLU 114 -22.463  19.109  -2.491
  Start of MODEL    6
    1    H1   MET  71           H1       MET  71  -8.304   3.396  10.052
    2    H2   MET  71           H2       MET  71  -9.630   3.069   9.157
    3    H3   MET  71           H3       MET  71  -8.570   1.875   9.520
    4    HA   MET  71           HA       MET  71  -6.837   2.917   8.210
    5    HB2  MET  71           HB2      MET  71  -8.350   1.219   7.165
    6    HB3  MET  71           HB3      MET  71  -9.399   2.513   6.587
    7    HG2  MET  71           HG2      MET  71  -7.533   3.402   5.222
    8    HG3  MET  71           HG3      MET  71  -6.460   2.147   5.848
    9    HE1  MET  71           HE1      MET  71  -7.045   2.908   2.746
   10    HE2  MET  71           HE2      MET  71  -5.836   1.704   3.256
   11    HE3  MET  71           HE3      MET  71  -7.042   1.287   2.024
   12    H    SER  72           H        SER  72  -5.970   4.791   7.419
   13    HA   SER  72           HA       SER  72  -7.214   7.252   8.051
   14    HB2  SER  72           HB2      SER  72  -4.793   6.774   6.278
   15    HB3  SER  72           HB3      SER  72  -5.199   8.266   7.156
   16    HG   SER  72           HG       SER  72  -3.664   6.988   8.315
   17    H    THR  73           H        THR  73  -7.443   5.500   5.057
   18    HA   THR  73           HA       THR  73  -8.754   7.800   3.649
   19    HB   THR  73           HB       THR  73  -7.726   7.312   1.648
   20    HG1  THR  73           HG1      THR  73  -5.984   5.806   1.512
   21   HG21  THR  73          HG21      THR  73  -5.482   7.571   3.691
   22   HG22  THR  73          HG22      THR  73  -5.453   8.095   1.994
   23   HG23  THR  73          HG23      THR  73  -6.527   8.901   3.145
   24    H    VAL  74           H        VAL  74 -10.020   7.083   1.737
   25    HA   VAL  74           HA       VAL  74 -10.939   4.286   1.746
   26    HB   VAL  74           HB       VAL  74 -12.340   5.328   3.392
   27   HG11  VAL  74          HG11      VAL  74 -13.343   7.267   1.262
   28   HG12  VAL  74          HG12      VAL  74 -13.934   7.124   2.926
   29   HG13  VAL  74          HG13      VAL  74 -12.295   7.704   2.629
   30   HG21  VAL  74          HG21      VAL  74 -13.949   4.753   0.894
   31   HG22  VAL  74          HG22      VAL  74 -13.428   3.596   2.152
   32   HG23  VAL  74          HG23      VAL  74 -14.587   4.860   2.546
   33    HA   PRO  75           HA       PRO  75 -11.038   5.230  -2.654
   34    HB2  PRO  75           HB2      PRO  75 -12.410   3.074  -3.621
   35    HB3  PRO  75           HB3      PRO  75 -10.736   2.983  -3.001
   36    HG2  PRO  75           HG2      PRO  75 -13.292   2.365  -1.488
   37    HG3  PRO  75           HG3      PRO  75 -11.823   1.346  -1.643
   38    HD2  PRO  75           HD2      PRO  75 -12.198   2.931   0.524
   39    HD3  PRO  75           HD3      PRO  75 -10.580   2.776  -0.213
   40    H    LYS  76           H        LYS  76 -12.454   5.667  -4.362
   41    HA   LYS  76           HA       LYS  76 -15.262   6.458  -3.655
   42    HB2  LYS  76           HB2      LYS  76 -13.710   8.322  -3.716
   43    HB3  LYS  76           HB3      LYS  76 -13.376   8.040  -5.438
   44    HG2  LYS  76           HG2      LYS  76 -15.755   8.445  -5.965
   45    HG3  LYS  76           HG3      LYS  76 -16.136   8.630  -4.252
   46    HD2  LYS  76           HD2      LYS  76 -14.237  10.409  -5.848
   47    HD3  LYS  76           HD3      LYS  76 -15.916  10.796  -5.527
   48    HE2  LYS  76           HE2      LYS  76 -13.769  10.437  -3.366
   49    HE3  LYS  76           HE3      LYS  76 -14.246  11.977  -4.066
   50    HZ1  LYS  76           HZ1      LYS  76 -16.509  11.619  -3.207
   51    HZ2  LYS  76           HZ2      LYS  76 -16.070  10.199  -2.513
   52    HZ3  LYS  76           HZ3      LYS  76 -15.422  11.602  -1.996
   53    H    TYR  77           H        TYR  77 -13.180   4.865  -5.983
   54    HA   TYR  77           HA       TYR  77 -15.595   3.972  -7.507
   55    HB2  TYR  77           HB2      TYR  77 -12.958   4.850  -8.734
   56    HB3  TYR  77           HB3      TYR  77 -14.351   4.239  -9.600
   57    HD1  TYR  77           HD2      TYR  77 -13.043   7.104  -7.612
   58    HD2  TYR  77           HD1      TYR  77 -16.125   5.726 -10.294
   59    HE1  TYR  77           HE2      TYR  77 -13.789   9.446  -7.967
   60    HE2  TYR  77           HE1      TYR  77 -16.843   8.070 -10.663
   61    HH   TYR  77           HH       TYR  77 -15.271  10.858  -9.068
   62    H    ARG  78           H        ARG  78 -15.449   1.867  -8.311
   63    HA   ARG  78           HA       ARG  78 -12.923   0.336  -7.997
   64    HB2  ARG  78           HB2      ARG  78 -14.099   0.036  -5.863
   65    HB3  ARG  78           HB3      ARG  78 -15.548  -0.516  -6.710
   66    HG2  ARG  78           HG2      ARG  78 -14.302  -2.495  -7.567
   67    HG3  ARG  78           HG3      ARG  78 -12.814  -1.878  -6.840
   68    HD2  ARG  78           HD2      ARG  78 -13.691  -3.607  -5.424
   69    HD3  ARG  78           HD3      ARG  78 -13.859  -2.049  -4.588
   70    HE   ARG  78           HE       ARG  78 -16.255  -2.751  -6.085
   71   HH11  ARG  78          HH11      ARG  78 -14.649  -3.557  -3.074
   72   HH12  ARG  78          HH12      ARG  78 -16.139  -4.015  -2.299
   73   HH21  ARG  78          HH21      ARG  78 -18.122  -3.331  -5.024
   74   HH22  ARG  78          HH22      ARG  78 -18.048  -3.909  -3.387
   75    H    ASP  79           H        ASP  79 -12.569  -0.393  -9.951
   76    HA   ASP  79           HA       ASP  79 -14.421  -0.743 -12.073
   77    HB2  ASP  79           HB2      ASP  79 -12.067  -0.390 -12.449
   78    HB3  ASP  79           HB3      ASP  79 -11.646  -1.849 -11.573
   79    HA   PRO  80           HA       PRO  80 -15.965  -4.709 -10.426
   80    HB2  PRO  80           HB2      PRO  80 -17.981  -5.222 -12.208
   81    HB3  PRO  80           HB3      PRO  80 -18.097  -3.987 -10.917
   82    HG2  PRO  80           HG2      PRO  80 -17.329  -3.570 -13.824
   83    HG3  PRO  80           HG3      PRO  80 -18.544  -2.663 -12.857
   84    HD2  PRO  80           HD2      PRO  80 -16.016  -1.725 -13.210
   85    HD3  PRO  80           HD3      PRO  80 -16.854  -1.541 -11.637
   86    H    ALA  81           H        ALA  81 -14.617  -4.218 -13.627
   87    HA   ALA  81           HA       ALA  81 -14.721  -6.990 -14.474
   88    HB1  ALA  81           HB1      ALA  81 -13.394  -6.149 -16.365
   89    HB2  ALA  81           HB2      ALA  81 -14.769  -5.072 -16.022
   90    HB3  ALA  81           HB3      ALA  81 -13.131  -4.612 -15.521
   91    H    THR  82           H        THR  82 -12.209  -4.976 -12.931
   92    HA   THR  82           HA       THR  82 -10.419  -7.381 -12.651
   93    HB   THR  82           HB       THR  82  -8.549  -6.041 -12.950
   94    HG1  THR  82           HG1      THR  82 -10.383  -3.910 -13.430
   95   HG21  THR  82          HG21      THR  82 -10.459  -5.511 -15.244
   96   HG22  THR  82          HG22      THR  82  -8.690  -5.698 -15.306
   97   HG23  THR  82          HG23      THR  82  -9.722  -7.083 -14.859
   98    H    GLY  83           H        GLY  83 -11.976  -4.860 -10.819
   99    HA2  GLY  83           HA2      GLY  83 -12.030  -4.702  -8.509
  100    HA3  GLY  83           HA3      GLY  83 -10.612  -5.733  -8.364
  101    H    LYS  84           H        LYS  84  -9.856  -3.302 -10.572
  102    HA   LYS  84           HA       LYS  84  -8.018  -1.853  -8.914
  103    HB2  LYS  84           HB2      LYS  84  -9.260  -1.254 -11.628
  104    HB3  LYS  84           HB3      LYS  84  -8.013  -0.247 -10.871
  105    HG2  LYS  84           HG2      LYS  84  -6.476  -2.140 -10.734
  106    HG3  LYS  84           HG3      LYS  84  -7.685  -3.233 -11.417
  107    HD2  LYS  84           HD2      LYS  84  -7.723  -1.854 -13.515
  108    HD3  LYS  84           HD3      LYS  84  -6.423  -0.844 -12.837
  109    HE2  LYS  84           HE2      LYS  84  -4.985  -2.877 -12.626
  110    HE3  LYS  84           HE3      LYS  84  -6.288  -3.862 -13.301
  111    HZ1  LYS  84           HZ1      LYS  84  -4.665  -3.250 -15.014
  112    HZ2  LYS  84           HZ2      LYS  84  -6.104  -2.568 -15.374
  113    HZ3  LYS  84           HZ3      LYS  84  -4.895  -1.655 -14.748
  114    H    THR  85           H        THR  85  -8.071   0.235  -8.068
  115    HA   THR  85           HA       THR  85 -10.751   1.516  -7.728
  116    HB   THR  85           HB       THR  85 -10.129   1.956  -5.338
  117    HG1  THR  85           HG1      THR  85  -8.504   0.628  -4.439
  118   HG21  THR  85          HG21      THR  85 -11.696   0.149  -5.886
  119   HG22  THR  85          HG22      THR  85 -10.343  -0.996  -6.040
  120   HG23  THR  85          HG23      THR  85 -10.714  -0.248  -4.470
  121    H    TRP  86           H        TRP  86 -10.791   3.673  -6.930
  122    HA   TRP  86           HA       TRP  86  -8.335   5.266  -6.816
  123    HB2  TRP  86           HB2      TRP  86  -8.974   5.228  -9.268
  124    HB3  TRP  86           HB3      TRP  86 -10.511   5.950  -8.813
  125    HD1  TRP  86           HD1      TRP  86  -6.743   6.782  -8.363
  126    HE1  TRP  86           HE1      TRP  86  -6.412   9.317  -8.511
  127    HE3  TRP  86           HE3      TRP  86 -11.595   8.209  -9.112
  128    HZ2  TRP  86           HZ2      TRP  86  -8.021  11.656  -9.024
  129    HZ3  TRP  86           HZ3      TRP  86 -12.185  10.599  -9.354
  130    HH2  TRP  86           HH2      TRP  86 -10.430  12.326  -9.267
  131    H    SER  87           H        SER  87  -8.846   7.503  -5.978
  132    HA   SER  87           HA       SER  87 -11.343   7.484  -4.295
  133    HB2  SER  87           HB2      SER  87  -9.885   8.144  -2.414
  134    HB3  SER  87           HB3      SER  87  -9.360   6.601  -3.122
  135    HG   SER  87           HG       SER  87  -7.578   8.030  -2.797
  136    H    GLY  88           H        GLY  88  -9.644   9.560  -6.428
  137    HA2  GLY  88           HA2      GLY  88 -10.802  11.736  -6.779
  138    HA3  GLY  88           HA3      GLY  88 -10.811  11.976  -5.050
  139    H    ARG  89           H        ARG  89  -7.813  10.664  -5.704
  140    HA   ARG  89           HA       ARG  89  -6.481  13.311  -6.107
  141    HB2  ARG  89           HB2      ARG  89  -6.796  12.736  -3.686
  142    HB3  ARG  89           HB3      ARG  89  -5.848  11.266  -3.926
  143    HG2  ARG  89           HG2      ARG  89  -3.861  12.611  -4.490
  144    HG3  ARG  89           HG3      ARG  89  -4.820  14.107  -4.384
  145    HD2  ARG  89           HD2      ARG  89  -5.254  13.655  -1.993
  146    HD3  ARG  89           HD3      ARG  89  -4.317  12.151  -2.102
  147    HE   ARG  89           HE       ARG  89  -2.674  14.292  -3.012
  148   HH11  ARG  89          HH11      ARG  89  -4.048  13.227   0.031
  149   HH12  ARG  89          HH12      ARG  89  -2.777  13.964   0.967
  150   HH21  ARG  89          HH21      ARG  89  -1.078  15.206  -1.757
  151   HH22  ARG  89          HH22      ARG  89  -1.138  15.052  -0.026
  152    H    GLY  90           H        GLY  90  -4.383  13.275  -6.938
  153    HA2  GLY  90           HA2      GLY  90  -2.634  12.521  -8.266
  154    HA3  GLY  90           HA3      GLY  90  -3.021  10.859  -7.833
  155    H    ARG  91           H        ARG  91  -2.313  10.919 -10.283
  156    HA   ARG  91           HA       ARG  91  -4.136  11.733 -12.324
  157    HB2  ARG  91           HB2      ARG  91  -1.859  11.283 -12.758
  158    HB3  ARG  91           HB3      ARG  91  -2.034   9.564 -12.320
  159    HG2  ARG  91           HG2      ARG  91  -3.503   9.204 -14.264
  160    HG3  ARG  91           HG3      ARG  91  -3.485  10.937 -14.626
  161    HD2  ARG  91           HD2      ARG  91  -1.996   9.763 -16.136
  162    HD3  ARG  91           HD3      ARG  91  -1.064  10.827 -15.093
  163    HE   ARG  91           HE       ARG  91  -1.278   7.835 -14.869
  164   HH11  ARG  91          HH11      ARG  91   0.614  10.707 -14.147
  165   HH12  ARG  91          HH12      ARG  91   1.945   9.776 -13.517
  166   HH21  ARG  91          HH21      ARG  91   0.450   6.724 -14.058
  167   HH22  ARG  91          HH22      ARG  91   1.851   7.572 -13.483
  168    H    GLN  92           H        GLN  92  -6.014  11.004 -12.927
  169    HA   GLN  92           HA       GLN  92  -7.355   8.797 -11.663
  170    HB2  GLN  92           HB2      GLN  92  -8.368  10.967 -12.376
  171    HB3  GLN  92           HB3      GLN  92  -8.168  10.487 -14.070
  172    HG2  GLN  92           HG2      GLN  92  -9.651   8.536 -13.668
  173    HG3  GLN  92           HG3      GLN  92  -9.805   9.015 -11.967
  174   HE21  GLN  92          HE22      GLN  92 -11.116  10.874 -11.430
  175   HE22  GLN  92          HE21      GLN  92 -12.171  11.607 -12.634
  176    HA   PRO  93           HA       PRO  93  -5.861   5.780 -14.626
  177    HB2  PRO  93           HB2      PRO  93  -7.249   3.551 -13.911
  178    HB3  PRO  93           HB3      PRO  93  -5.982   4.285 -12.886
  179    HG2  PRO  93           HG2      PRO  93  -8.981   4.687 -12.675
  180    HG3  PRO  93           HG3      PRO  93  -7.828   4.277 -11.365
  181    HD2  PRO  93           HD2      PRO  93  -8.631   6.838 -11.815
  182    HD3  PRO  93           HD3      PRO  93  -6.951   6.469 -11.324
  183    H    ALA  94           H        ALA  94  -6.404   4.531 -16.466
  184    HA   ALA  94           HA       ALA  94  -8.087   5.905 -18.211
  185    HB1  ALA  94           HB1      ALA  94  -6.854   3.135 -18.512
  186    HB2  ALA  94           HB2      ALA  94  -7.437   4.169 -19.836
  187    HB3  ALA  94           HB3      ALA  94  -6.057   4.689 -18.852
  188    H    TRP  95           H        TRP  95  -8.889   2.825 -16.538
  189    HA   TRP  95           HA       TRP  95 -11.286   2.231 -18.003
  190    HB2  TRP  95           HB2      TRP  95 -11.920   0.931 -15.969
  191    HB3  TRP  95           HB3      TRP  95 -10.324   0.546 -16.595
  192    HD1  TRP  95           HD1      TRP  95  -8.258   1.028 -15.074
  193    HE1  TRP  95           HE1      TRP  95  -7.982   1.520 -12.573
  194    HE3  TRP  95           HE3      TRP  95 -13.168   2.070 -13.867
  195    HZ2  TRP  95           HZ2      TRP  95  -9.629   2.255 -10.360
  196    HZ3  TRP  95           HZ3      TRP  95 -13.760   2.597 -11.532
  197    HH2  TRP  95           HH2      TRP  95 -12.020   2.688  -9.778
  198    H    LEU  96           H        LEU  96 -10.648   4.512 -15.420
  199    HA   LEU  96           HA       LEU  96 -13.376   4.746 -14.546
  200    HB2  LEU  96           HB2      LEU  96 -11.138   4.920 -13.308
  201    HB3  LEU  96           HB3      LEU  96 -11.056   6.585 -13.874
  202    HG   LEU  96           HG       LEU  96 -13.328   5.398 -12.204
  203   HD11  LEU  96          HD11      LEU  96 -11.153   5.310 -11.059
  204   HD12  LEU  96          HD12      LEU  96 -10.913   7.044 -11.368
  205   HD13  LEU  96          HD13      LEU  96 -12.246   6.484 -10.333
  206   HD21  LEU  96          HD21      LEU  96 -12.582   8.278 -12.897
  207   HD22  LEU  96          HD22      LEU  96 -14.098   7.441 -13.276
  208   HD23  LEU  96          HD23      LEU  96 -13.708   7.831 -11.607
  209    H    GLY  97           H        GLY  97 -11.191   6.825 -16.447
  210    HA2  GLY  97           HA2      GLY  97 -12.643   9.179 -16.682
  211    HA3  GLY  97           HA3      GLY  97 -11.560   8.515 -17.923
  212    H    ASN  98           H        ASN  98 -13.154   6.236 -18.518
  213    HA   ASN  98           HA       ASN  98 -14.601   7.178 -20.727
  214    HB2  ASN  98           HB2      ASN  98 -13.662   4.906 -20.506
  215    HB3  ASN  98           HB3      ASN  98 -14.858   4.514 -19.262
  216   HD21  ASN  98          HD22      ASN  98 -16.527   3.290 -20.093
  217   HD22  ASN  98          HD21      ASN  98 -17.151   3.458 -21.724
  218    H    ASP  99           H        ASP  99 -15.995   6.128 -17.579
  219    HA   ASP  99           HA       ASP  99 -18.270   7.886 -17.871
  220    HB2  ASP  99           HB2      ASP  99 -19.030   6.056 -19.344
  221    HB3  ASP  99           HB3      ASP  99 -18.815   4.896 -18.036
  222    HA   PRO 100           HA       PRO 100 -16.318   7.026 -13.766
  223    HB2  PRO 100           HB2      PRO 100 -17.664   9.648 -13.201
  224    HB3  PRO 100           HB3      PRO 100 -16.062   9.026 -12.672
  225    HG2  PRO 100           HG2      PRO 100 -16.237  10.737 -14.772
  226    HG3  PRO 100           HG3      PRO 100 -15.120   9.339 -14.816
  227    HD2  PRO 100           HD2      PRO 100 -17.814   9.634 -16.139
  228    HD3  PRO 100           HD3      PRO 100 -16.329   8.847 -16.742
  229    H    ALA 101           H        ALA 101 -19.744   8.098 -14.048
  230    HA   ALA 101           HA       ALA 101 -20.491   7.317 -11.431
  231    HB1  ALA 101           HB1      ALA 101 -21.696   8.963 -12.791
  232    HB2  ALA 101           HB2      ALA 101 -22.202   7.679 -13.921
  233    HB3  ALA 101           HB3      ALA 101 -22.780   7.675 -12.237
  234    H    ALA 102           H        ALA 102 -19.978   5.241 -14.197
  235    HA   ALA 102           HA       ALA 102 -21.962   3.258 -13.707
  236    HB1  ALA 102           HB1      ALA 102 -20.736   3.534 -15.826
  237    HB2  ALA 102           HB2      ALA 102 -19.230   3.031 -15.032
  238    HB3  ALA 102           HB3      ALA 102 -20.570   1.881 -15.210
  239    H    PHE 103           H        PHE 103 -18.786   3.693 -12.252
  240    HA   PHE 103           HA       PHE 103 -19.164   1.324 -10.468
  241    HB2  PHE 103           HB2      PHE 103 -16.568   1.104 -10.878
  242    HB3  PHE 103           HB3      PHE 103 -17.727   0.468 -12.033
  243    HD1  PHE 103           HD1      PHE 103 -16.119   3.803 -11.383
  244    HD2  PHE 103           HD2      PHE 103 -17.158   0.776 -14.272
  245    HE1  PHE 103           HE1      PHE 103 -15.350   5.279 -13.196
  246    HE2  PHE 103           HE2      PHE 103 -16.322   2.245 -16.096
  247    HZ   PHE 103           HZ       PHE 103 -15.476   4.509 -15.573
  248    H    LEU 104           H        LEU 104 -19.496   4.332 -10.096
  249    HA   LEU 104           HA       LEU 104 -17.536   5.102  -8.083
  250    HB2  LEU 104           HB2      LEU 104 -19.058   6.536  -9.645
  251    HB3  LEU 104           HB3      LEU 104 -20.300   6.306  -8.423
  252    HG   LEU 104           HG       LEU 104 -17.528   7.479  -7.919
  253   HD11  LEU 104          HD11      LEU 104 -18.617   9.678  -7.947
  254   HD12  LEU 104          HD12      LEU 104 -18.856   8.866  -9.498
  255   HD13  LEU 104          HD13      LEU 104 -20.185   8.919  -8.320
  256   HD21  LEU 104          HD21      LEU 104 -18.502   6.728  -5.816
  257   HD22  LEU 104          HD22      LEU 104 -18.532   8.475  -5.887
  258   HD23  LEU 104          HD23      LEU 104 -20.031   7.562  -6.191
  259    H    ILE 105           H        ILE 105 -17.540   4.532  -5.991
  260    HA   ILE 105           HA       ILE 105 -19.367   2.501  -4.977
  261    HB   ILE 105           HB       ILE 105 -17.158   4.065  -3.570
  262   HG12  ILE 105          HG12      ILE 105 -16.980   1.238  -4.715
  263   HG13  ILE 105          HG13      ILE 105 -16.403   2.669  -5.566
  264   HG21  ILE 105          HG21      ILE 105 -18.772   3.049  -1.966
  265   HG22  ILE 105          HG22      ILE 105 -18.586   1.478  -2.771
  266   HG23  ILE 105          HG23      ILE 105 -17.231   2.223  -1.898
  267   HD11  ILE 105          HD11      ILE 105 -15.335   1.586  -2.949
  268   HD12  ILE 105          HD12      ILE 105 -14.487   1.807  -4.485
  269   HD13  ILE 105          HD13      ILE 105 -14.979   3.226  -3.547
  270    H    GLN 106           H        GLN 106 -21.225   2.843  -3.910
  271    HA   GLN 106           HA       GLN 106 -21.595   5.228  -2.186
  272    HB2  GLN 106           HB2      GLN 106 -23.580   4.231  -4.273
  273    HB3  GLN 106           HB3      GLN 106 -23.996   5.373  -3.006
  274    HG2  GLN 106           HG2      GLN 106 -21.893   5.907  -5.161
  275    HG3  GLN 106           HG3      GLN 106 -23.572   6.394  -5.253
  276   HE21  GLN 106          HE22      GLN 106 -20.519   7.004  -3.460
  277   HE22  GLN 106          HE21      GLN 106 -21.061   8.570  -2.856
  278    HA   PRO 107           HA       PRO 107 -22.611   2.154   0.629
  279    HB2  PRO 107           HB2      PRO 107 -24.250   3.342   2.501
  280    HB3  PRO 107           HB3      PRO 107 -22.533   3.779   2.249
  281    HG2  PRO 107           HG2      PRO 107 -24.985   5.141   1.088
  282    HG3  PRO 107           HG3      PRO 107 -23.594   5.898   1.926
  283    HD2  PRO 107           HD2      PRO 107 -23.734   5.810  -0.777
  284    HD3  PRO 107           HD3      PRO 107 -22.177   5.570   0.064
  285    H    ASP 108           H        ASP 108 -25.387   3.354  -0.971
  286    HA   ASP 108           HA       ASP 108 -26.640   0.913  -1.279
  287    HB2  ASP 108           HB2      ASP 108 -27.322   1.153   1.144
  288    HB3  ASP 108           HB3      ASP 108 -28.118   2.665   0.740
  289    H    LEU 109           H        LEU 109 -27.226   4.369  -1.013
  290    HA   LEU 109           HA       LEU 109 -28.311   4.518  -3.721
  291    HB2  LEU 109           HB2      LEU 109 -29.567   5.626  -1.172
  292    HB3  LEU 109           HB3      LEU 109 -29.960   6.298  -2.741
  293    HG   LEU 109           HG       LEU 109 -30.460   3.401  -1.949
  294   HD11  LEU 109          HD11      LEU 109 -31.859   5.015  -0.707
  295   HD12  LEU 109          HD12      LEU 109 -32.383   5.744  -2.240
  296   HD13  LEU 109          HD13      LEU 109 -32.815   4.062  -1.848
  297   HD21  LEU 109          HD21      LEU 109 -31.899   3.384  -3.982
  298   HD22  LEU 109          HD22      LEU 109 -31.313   5.007  -4.407
  299   HD23  LEU 109          HD23      LEU 109 -30.203   3.615  -4.389
  300    HA   PRO 110           HA       PRO 110 -25.650   7.999  -4.320
  301    HB2  PRO 110           HB2      PRO 110 -28.020   9.698  -4.985
  302    HB3  PRO 110           HB3      PRO 110 -26.463   9.489  -5.853
  303    HG2  PRO 110           HG2      PRO 110 -28.702   8.217  -6.734
  304    HG3  PRO 110           HG3      PRO 110 -27.119   7.374  -6.720
  305    HD2  PRO 110           HD2      PRO 110 -29.383   7.160  -4.744
  306    HD3  PRO 110           HD3      PRO 110 -28.354   5.862  -5.430
  307    H    ALA 111           H        ALA 111 -24.697   9.484  -3.010
  308    HA   ALA 111           HA       ALA 111 -25.986  10.459  -0.618
  309    HB1  ALA 111           HB1      ALA 111 -23.247  11.091  -1.823
  310    HB2  ALA 111           HB2      ALA 111 -23.744  11.379  -0.140
  311    HB3  ALA 111           HB3      ALA 111 -23.602   9.722  -0.743
  312    H    ILE 112           H        ILE 112 -27.337  11.348  -2.837
  313    HA   ILE 112           HA       ILE 112 -27.409  14.267  -2.440
  314    HB   ILE 112           HB       ILE 112 -27.675  14.653  -4.935
  315   HG12  ILE 112          HG12      ILE 112 -26.267  11.971  -5.270
  316   HG13  ILE 112          HG13      ILE 112 -28.011  12.162  -5.492
  317   HG21  ILE 112          HG21      ILE 112 -24.921  13.623  -4.182
  318   HG22  ILE 112          HG22      ILE 112 -25.325  14.889  -5.358
  319   HG23  ILE 112          HG23      ILE 112 -25.586  15.179  -3.634
  320   HD11  ILE 112          HD11      ILE 112 -25.835  13.528  -7.132
  321   HD12  ILE 112          HD12      ILE 112 -26.922  12.230  -7.652
  322   HD13  ILE 112          HD13      ILE 112 -27.582  13.839  -7.294
  323    H    LEU 113           H        LEU 113 -28.883  12.860  -1.183
  324    HA   LEU 113           HA       LEU 113 -31.605  12.819  -2.424
  325    HB2  LEU 113           HB2      LEU 113 -30.386  10.617  -2.451
  326    HB3  LEU 113           HB3      LEU 113 -30.345  10.650  -0.692
  327    HG   LEU 113           HG       LEU 113 -32.796  10.410  -0.607
  328   HD11  LEU 113          HD11      LEU 113 -32.655  10.423  -3.653
  329   HD12  LEU 113          HD12      LEU 113 -34.083   9.968  -2.694
  330   HD13  LEU 113          HD13      LEU 113 -33.484  11.625  -2.642
  331   HD21  LEU 113          HD21      LEU 113 -31.383   8.400  -0.772
  332   HD22  LEU 113          HD22      LEU 113 -32.965   8.163  -1.536
  333   HD23  LEU 113          HD23      LEU 113 -31.526   8.443  -2.543
  334    H    GLU 114           H        GLU 114 -29.893  14.235  -0.078
  335    HA   GLU 114           HA       GLU 114 -30.098  14.942   2.080
  336    HB2  GLU 114           HB2      GLU 114 -31.094  16.564   0.613
  337    HB3  GLU 114           HB3      GLU 114 -32.711  15.951   0.989
  338    HG2  GLU 114           HG2      GLU 114 -32.322  16.551   3.397
  339    HG3  GLU 114           HG3      GLU 114 -30.692  17.087   2.991
  Start of MODEL    7
    1    H1   MET  71           H1       MET  71  -9.142   2.989   8.953
    2    H2   MET  71           H2       MET  71  -9.163   2.705   7.346
    3    H3   MET  71           H3       MET  71  -8.067   1.948   8.302
    4    HA   MET  71           HA       MET  71  -7.015   4.036   8.869
    5    HB2  MET  71           HB2      MET  71  -5.769   4.397   6.877
    6    HB3  MET  71           HB3      MET  71  -6.122   2.686   6.980
    7    HG2  MET  71           HG2      MET  71  -7.965   3.000   5.291
    8    HG3  MET  71           HG3      MET  71  -7.512   4.708   5.176
    9    HE1  MET  71           HE1      MET  71  -7.786   2.888   2.638
   10    HE2  MET  71           HE2      MET  71  -7.254   4.584   2.573
   11    HE3  MET  71           HE3      MET  71  -6.320   3.328   1.729
   12    H    SER  72           H        SER  72  -6.570   6.336   7.760
   13    HA   SER  72           HA       SER  72  -8.848   7.894   8.505
   14    HB2  SER  72           HB2      SER  72  -7.357   9.806   7.923
   15    HB3  SER  72           HB3      SER  72  -6.617   8.610   9.003
   16    HG   SER  72           HG       SER  72  -5.195   9.223   7.288
   17    H    THR  73           H        THR  73  -8.047   6.676   5.367
   18    HA   THR  73           HA       THR  73 -10.055   8.477   4.050
   19    HB   THR  73           HB       THR  73  -8.801   8.623   2.130
   20    HG1  THR  73           HG1      THR  73  -6.653   7.820   2.014
   21   HG21  THR  73          HG21      THR  73  -6.976  10.077   2.776
   22   HG22  THR  73          HG22      THR  73  -8.333  10.325   3.889
   23   HG23  THR  73          HG23      THR  73  -6.923   9.374   4.405
   24    H    VAL  74           H        VAL  74 -10.836   7.618   1.951
   25    HA   VAL  74           HA       VAL  74 -10.931   4.655   1.743
   26    HB   VAL  74           HB       VAL  74 -13.417   4.762   1.431
   27   HG11  VAL  74          HG11      VAL  74 -12.515   5.620   4.204
   28   HG12  VAL  74          HG12      VAL  74 -13.991   4.735   3.777
   29   HG13  VAL  74          HG13      VAL  74 -12.409   3.973   3.547
   30   HG21  VAL  74          HG21      VAL  74 -14.716   6.605   2.351
   31   HG22  VAL  74          HG22      VAL  74 -13.246   7.529   2.703
   32   HG23  VAL  74          HG23      VAL  74 -13.715   7.184   1.021
   33    HA   PRO  75           HA       PRO  75 -11.015   5.554  -2.668
   34    HB2  PRO  75           HB2      PRO  75 -12.226   3.340  -3.706
   35    HB3  PRO  75           HB3      PRO  75 -10.572   3.332  -3.035
   36    HG2  PRO  75           HG2      PRO  75 -13.142   2.544  -1.627
   37    HG3  PRO  75           HG3      PRO  75 -11.604   1.620  -1.728
   38    HD2  PRO  75           HD2      PRO  75 -12.222   3.161   0.424
   39    HD3  PRO  75           HD3      PRO  75 -10.544   3.072  -0.189
   40    H    LYS  76           H        LYS  76 -12.438   5.835  -4.433
   41    HA   LYS  76           HA       LYS  76 -15.257   6.623  -3.743
   42    HB2  LYS  76           HB2      LYS  76 -13.789   8.524  -3.901
   43    HB3  LYS  76           HB3      LYS  76 -13.371   8.125  -5.579
   44    HG2  LYS  76           HG2      LYS  76 -15.700   8.473  -6.266
   45    HG3  LYS  76           HG3      LYS  76 -16.192   8.735  -4.582
   46    HD2  LYS  76           HD2      LYS  76 -14.874  10.758  -4.422
   47    HD3  LYS  76           HD3      LYS  76 -14.119  10.471  -6.001
   48    HE2  LYS  76           HE2      LYS  76 -16.308  10.710  -7.125
   49    HE3  LYS  76           HE3      LYS  76 -17.107  10.926  -5.560
   50    HZ1  LYS  76           HZ1      LYS  76 -15.076  12.786  -6.715
   51    HZ2  LYS  76           HZ2      LYS  76 -16.676  13.069  -6.631
   52    HZ3  LYS  76           HZ3      LYS  76 -15.802  12.983  -5.258
   53    H    TYR  77           H        TYR  77 -13.183   4.942  -6.027
   54    HA   TYR  77           HA       TYR  77 -15.598   4.021  -7.528
   55    HB2  TYR  77           HB2      TYR  77 -12.969   4.851  -8.797
   56    HB3  TYR  77           HB3      TYR  77 -14.404   4.284  -9.628
   57    HD1  TYR  77           HD1      TYR  77 -12.900   7.106  -7.752
   58    HD2  TYR  77           HD2      TYR  77 -16.195   5.839 -10.233
   59    HE1  TYR  77           HE1      TYR  77 -13.566   9.483  -8.102
   60    HE2  TYR  77           HE2      TYR  77 -16.849   8.195 -10.569
   61    HH   TYR  77           HH       TYR  77 -16.363  10.425 -10.116
   62    H    ARG  78           H        ARG  78 -15.449   1.900  -8.310
   63    HA   ARG  78           HA       ARG  78 -12.867   0.507  -8.139
   64    HB2  ARG  78           HB2      ARG  78 -13.992   0.134  -5.923
   65    HB3  ARG  78           HB3      ARG  78 -15.309  -0.700  -6.766
   66    HG2  ARG  78           HG2      ARG  78 -13.729  -2.395  -7.621
   67    HG3  ARG  78           HG3      ARG  78 -12.368  -1.458  -6.998
   68    HD2  ARG  78           HD2      ARG  78 -13.409  -1.787  -4.659
   69    HD3  ARG  78           HD3      ARG  78 -14.436  -3.019  -5.434
   70    HE   ARG  78           HE       ARG  78 -11.592  -3.335  -6.050
   71   HH11  ARG  78          HH11      ARG  78 -13.902  -4.098  -3.513
   72   HH12  ARG  78          HH12      ARG  78 -12.910  -5.390  -2.888
   73   HH21  ARG  78          HH21      ARG  78 -10.403  -4.964  -5.215
   74   HH22  ARG  78          HH22      ARG  78 -10.971  -5.868  -3.837
   75    H    ASP  79           H        ASP  79 -12.521  -0.432  -9.962
   76    HA   ASP  79           HA       ASP  79 -14.340  -0.732 -12.120
   77    HB2  ASP  79           HB2      ASP  79 -12.004  -0.495 -12.520
   78    HB3  ASP  79           HB3      ASP  79 -11.605  -1.858 -11.482
   79    HA   PRO  80           HA       PRO  80 -16.111  -4.606 -10.499
   80    HB2  PRO  80           HB2      PRO  80 -18.073  -5.054 -12.357
   81    HB3  PRO  80           HB3      PRO  80 -18.188  -3.793 -11.094
   82    HG2  PRO  80           HG2      PRO  80 -17.280  -3.459 -13.966
   83    HG3  PRO  80           HG3      PRO  80 -18.492  -2.482 -13.068
   84    HD2  PRO  80           HD2      PRO  80 -15.912  -1.667 -13.325
   85    HD3  PRO  80           HD3      PRO  80 -16.805  -1.416 -11.793
   86    H    ALA  81           H        ALA  81 -14.621  -4.222 -13.665
   87    HA   ALA  81           HA       ALA  81 -14.880  -6.971 -14.513
   88    HB1  ALA  81           HB1      ALA  81 -13.387  -6.258 -16.319
   89    HB2  ALA  81           HB2      ALA  81 -14.653  -5.042 -16.053
   90    HB3  ALA  81           HB3      ALA  81 -13.005  -4.755 -15.449
   91    H    THR  82           H        THR  82 -12.238  -5.137 -12.942
   92    HA   THR  82           HA       THR  82 -10.743  -7.696 -12.420
   93    HB   THR  82           HB       THR  82  -8.715  -6.643 -12.815
   94    HG1  THR  82           HG1      THR  82 -10.279  -4.352 -13.430
   95   HG21  THR  82          HG21      THR  82  -9.985  -7.769 -14.623
   96   HG22  THR  82          HG22      THR  82 -10.515  -6.170 -15.204
   97   HG23  THR  82          HG23      THR  82  -8.786  -6.584 -15.196
   98    H    GLY  83           H        GLY  83 -12.072  -4.902 -10.872
   99    HA2  GLY  83           HA2      GLY  83 -12.262  -4.723  -8.571
  100    HA3  GLY  83           HA3      GLY  83 -10.872  -5.775  -8.326
  101    H    LYS  84           H        LYS  84  -9.955  -3.379 -10.506
  102    HA   LYS  84           HA       LYS  84  -8.108  -2.031  -8.793
  103    HB2  LYS  84           HB2      LYS  84  -9.292  -1.181 -11.471
  104    HB3  LYS  84           HB3      LYS  84  -7.914  -0.414 -10.663
  105    HG2  LYS  84           HG2      LYS  84  -6.739  -2.623 -10.645
  106    HG3  LYS  84           HG3      LYS  84  -8.054  -3.302 -11.617
  107    HD2  LYS  84           HD2      LYS  84  -7.597  -1.430 -13.334
  108    HD3  LYS  84           HD3      LYS  84  -6.162  -1.035 -12.376
  109    HE2  LYS  84           HE2      LYS  84  -5.275  -2.419 -14.025
  110    HE3  LYS  84           HE3      LYS  84  -5.492  -3.524 -12.665
  111    HZ1  LYS  84           HZ1      LYS  84  -7.672  -4.179 -13.752
  112    HZ2  LYS  84           HZ2      LYS  84  -7.280  -3.250 -15.038
  113    HZ3  LYS  84           HZ3      LYS  84  -6.357  -4.541 -14.668
  114    H    THR  85           H        THR  85  -8.091   0.040  -7.887
  115    HA   THR  85           HA       THR  85 -10.759   1.354  -7.480
  116    HB   THR  85           HB       THR  85  -9.897   1.969  -5.190
  117    HG1  THR  85           HG1      THR  85  -8.219   0.655  -4.378
  118   HG21  THR  85          HG21      THR  85 -10.256  -1.001  -5.749
  119   HG22  THR  85          HG22      THR  85 -10.405  -0.202  -4.164
  120   HG23  THR  85          HG23      THR  85 -11.543   0.200  -5.456
  121    H    TRP  86           H        TRP  86 -10.849   3.559  -6.977
  122    HA   TRP  86           HA       TRP  86  -8.430   5.205  -7.055
  123    HB2  TRP  86           HB2      TRP  86  -9.068   5.010  -9.455
  124    HB3  TRP  86           HB3      TRP  86 -10.648   5.671  -9.087
  125    HD1  TRP  86           HD1      TRP  86  -6.986   6.800  -8.366
  126    HE1  TRP  86           HE1      TRP  86  -6.816   9.338  -8.691
  127    HE3  TRP  86           HE3      TRP  86 -11.761   7.743  -9.919
  128    HZ2  TRP  86           HZ2      TRP  86  -8.525  11.497  -9.549
  129    HZ3  TRP  86           HZ3      TRP  86 -12.504  10.061 -10.374
  130    HH2  TRP  86           HH2      TRP  86 -10.929  11.946 -10.120
  131    H    SER  87           H        SER  87  -8.964   7.517  -6.392
  132    HA   SER  87           HA       SER  87 -11.343   7.574  -4.548
  133    HB2  SER  87           HB2      SER  87  -9.784   8.353  -2.797
  134    HB3  SER  87           HB3      SER  87  -9.260   6.788  -3.453
  135    HG   SER  87           HG       SER  87  -7.509   8.291  -3.308
  136    H    GLY  88           H        GLY  88 -10.285   9.358  -7.091
  137    HA2  GLY  88           HA2      GLY  88 -11.226  11.482  -7.624
  138    HA3  GLY  88           HA3      GLY  88 -11.459  11.833  -5.932
  139    H    ARG  89           H        ARG  89  -8.302  10.696  -6.326
  140    HA   ARG  89           HA       ARG  89  -7.099  13.407  -6.696
  141    HB2  ARG  89           HB2      ARG  89  -7.605  12.924  -4.292
  142    HB3  ARG  89           HB3      ARG  89  -6.566  11.501  -4.366
  143    HG2  ARG  89           HG2      ARG  89  -4.597  12.903  -4.773
  144    HG3  ARG  89           HG3      ARG  89  -5.601  14.360  -4.898
  145    HD2  ARG  89           HD2      ARG  89  -5.370  12.609  -2.411
  146    HD3  ARG  89           HD3      ARG  89  -4.403  14.067  -2.710
  147    HE   ARG  89           HE       ARG  89  -7.087  14.851  -3.004
  148   HH11  ARG  89          HH11      ARG  89  -5.066  13.718  -0.374
  149   HH12  ARG  89          HH12      ARG  89  -6.001  14.564   0.829
  150   HH21  ARG  89          HH21      ARG  89  -8.239  15.900  -1.415
  151   HH22  ARG  89          HH22      ARG  89  -7.748  15.766   0.249
  152    H    GLY  90           H        GLY  90  -4.845  13.403  -7.224
  153    HA2  GLY  90           HA2      GLY  90  -2.867  12.614  -8.148
  154    HA3  GLY  90           HA3      GLY  90  -3.315  10.980  -7.663
  155    H    ARG  91           H        ARG  91  -2.230  10.534  -9.747
  156    HA   ARG  91           HA       ARG  91  -3.383  11.161 -12.326
  157    HB2  ARG  91           HB2      ARG  91  -1.565   8.880 -11.545
  158    HB3  ARG  91           HB3      ARG  91  -2.033   9.394 -13.180
  159    HG2  ARG  91           HG2      ARG  91  -0.979  11.614 -12.800
  160    HG3  ARG  91           HG3      ARG  91  -0.508  11.109 -11.174
  161    HD2  ARG  91           HD2      ARG  91   1.404  10.884 -12.580
  162    HD3  ARG  91           HD3      ARG  91   0.846   9.253 -12.165
  163    HE   ARG  91           HE       ARG  91  -0.300  10.175 -14.670
  164   HH11  ARG  91          HH11      ARG  91   2.711   8.889 -13.410
  165   HH12  ARG  91          HH12      ARG  91   3.186   8.241 -14.957
  166   HH21  ARG  91          HH21      ARG  91   0.369   9.319 -16.616
  167   HH22  ARG  91          HH22      ARG  91   1.888   8.484 -16.721
  168    H    GLN  92           H        GLN  92  -5.475  10.757 -12.616
  169    HA   GLN  92           HA       GLN  92  -6.996   8.584 -11.668
  170    HB2  GLN  92           HB2      GLN  92  -7.850  10.761 -12.498
  171    HB3  GLN  92           HB3      GLN  92  -7.410  10.301 -14.154
  172    HG2  GLN  92           HG2      GLN  92  -9.000   8.371 -13.988
  173    HG3  GLN  92           HG3      GLN  92  -9.437   8.908 -12.359
  174   HE21  GLN  92          HE22      GLN  92 -10.987  10.579 -12.170
  175   HE22  GLN  92          HE21      GLN  92 -11.671  11.396 -13.574
  176    HA   PRO  93           HA       PRO  93  -5.543   5.383 -14.494
  177    HB2  PRO  93           HB2      PRO  93  -7.192   3.329 -13.872
  178    HB3  PRO  93           HB3      PRO  93  -5.979   3.953 -12.718
  179    HG2  PRO  93           HG2      PRO  93  -8.936   4.656 -12.848
  180    HG3  PRO  93           HG3      PRO  93  -7.974   4.142 -11.422
  181    HD2  PRO  93           HD2      PRO  93  -8.459   6.768 -11.969
  182    HD3  PRO  93           HD3      PRO  93  -6.910   6.228 -11.261
  183    H    ALA  94           H        ALA  94  -6.218   4.071 -16.341
  184    HA   ALA  94           HA       ALA  94  -7.663   5.604 -18.191
  185    HB1  ALA  94           HB1      ALA  94  -7.276   3.692 -19.710
  186    HB2  ALA  94           HB2      ALA  94  -5.839   4.056 -18.747
  187    HB3  ALA  94           HB3      ALA  94  -6.857   2.661 -18.325
  188    H    TRP  95           H        TRP  95  -8.861   2.742 -16.379
  189    HA   TRP  95           HA       TRP  95 -11.261   2.357 -17.866
  190    HB2  TRP  95           HB2      TRP  95 -12.047   1.121 -15.832
  191    HB3  TRP  95           HB3      TRP  95 -10.498   0.604 -16.468
  192    HD1  TRP  95           HD1      TRP  95  -8.366   0.938 -14.973
  193    HE1  TRP  95           HE1      TRP  95  -8.036   1.341 -12.466
  194    HE3  TRP  95           HE3      TRP  95 -13.192   2.221 -13.693
  195    HZ2  TRP  95           HZ2      TRP  95  -9.617   2.097 -10.219
  196    HZ3  TRP  95           HZ3      TRP  95 -13.743   2.678 -11.333
  197    HH2  TRP  95           HH2      TRP  95 -11.974   2.637  -9.589
  198    H    LEU  96           H        LEU  96 -10.534   4.764 -15.438
  199    HA   LEU  96           HA       LEU  96 -13.206   5.487 -14.722
  200    HB2  LEU  96           HB2      LEU  96 -10.587   6.216 -13.999
  201    HB3  LEU  96           HB3      LEU  96 -11.187   7.653 -14.793
  202    HG   LEU  96           HG       LEU  96 -11.474   7.803 -12.432
  203   HD11  LEU  96          HD11      LEU  96 -13.860   8.241 -12.176
  204   HD12  LEU  96          HD12      LEU  96 -13.244   8.856 -13.719
  205   HD13  LEU  96          HD13      LEU  96 -14.202   7.370 -13.685
  206   HD21  LEU  96          HD21      LEU  96 -12.975   5.172 -12.588
  207   HD22  LEU  96          HD22      LEU  96 -11.454   5.507 -11.761
  208   HD23  LEU  96          HD23      LEU  96 -12.955   6.232 -11.173
  209    H    GLY  97           H        GLY  97 -11.294   6.188 -17.566
  210    HA2  GLY  97           HA2      GLY  97 -12.618   8.640 -18.323
  211    HA3  GLY  97           HA3      GLY  97 -11.409   7.746 -19.244
  212    H    ASN  98           H        ASN  98 -14.732   6.855 -18.167
  213    HA   ASN  98           HA       ASN  98 -15.679   6.844 -20.985
  214    HB2  ASN  98           HB2      ASN  98 -14.750   4.586 -20.650
  215    HB3  ASN  98           HB3      ASN  98 -15.736   4.368 -19.208
  216   HD21  ASN  98          HD22      ASN  98 -17.166   2.736 -19.852
  217   HD22  ASN  98          HD21      ASN  98 -18.185   2.867 -21.275
  218    H    ASP  99           H        ASP  99 -16.852   5.758 -17.733
  219    HA   ASP  99           HA       ASP  99 -18.960   7.803 -17.755
  220    HB2  ASP  99           HB2      ASP  99 -19.937   6.020 -19.137
  221    HB3  ASP  99           HB3      ASP  99 -19.668   4.849 -17.851
  222    HA   PRO 100           HA       PRO 100 -16.659   6.945 -13.836
  223    HB2  PRO 100           HB2      PRO 100 -17.949   9.576 -13.198
  224    HB3  PRO 100           HB3      PRO 100 -16.316   8.952 -12.782
  225    HG2  PRO 100           HG2      PRO 100 -16.633  10.631 -14.887
  226    HG3  PRO 100           HG3      PRO 100 -15.542   9.219 -15.009
  227    HD2  PRO 100           HD2      PRO 100 -18.326   9.536 -16.112
  228    HD3  PRO 100           HD3      PRO 100 -16.901   8.722 -16.820
  229    H    ALA 101           H        ALA 101 -20.087   8.007 -13.863
  230    HA   ALA 101           HA       ALA 101 -20.693   7.221 -11.202
  231    HB1  ALA 101           HB1      ALA 101 -23.024   7.538 -11.920
  232    HB2  ALA 101           HB2      ALA 101 -21.989   8.848 -12.512
  233    HB3  ALA 101           HB3      ALA 101 -22.509   7.558 -13.621
  234    H    ALA 102           H        ALA 102 -20.365   5.199 -14.059
  235    HA   ALA 102           HA       ALA 102 -22.222   3.135 -13.370
  236    HB1  ALA 102           HB1      ALA 102 -21.020   1.853 -15.081
  237    HB2  ALA 102           HB2      ALA 102 -21.283   3.521 -15.631
  238    HB3  ALA 102           HB3      ALA 102 -19.679   3.017 -15.050
  239    H    PHE 103           H        PHE 103 -18.905   3.710 -12.336
  240    HA   PHE 103           HA       PHE 103 -18.960   1.279 -10.587
  241    HB2  PHE 103           HB2      PHE 103 -16.438   1.206 -11.162
  242    HB3  PHE 103           HB3      PHE 103 -17.599   0.650 -12.349
  243    HD1  PHE 103           HD2      PHE 103 -15.941   3.884 -11.375
  244    HD2  PHE 103           HD1      PHE 103 -17.256   1.309 -14.567
  245    HE1  PHE 103           HE2      PHE 103 -15.173   5.535 -13.017
  246    HE2  PHE 103           HE1      PHE 103 -16.434   2.960 -16.230
  247    HZ   PHE 103           HZ       PHE 103 -15.406   5.086 -15.465
  248    H    LEU 104           H        LEU 104 -19.324   4.407 -10.230
  249    HA   LEU 104           HA       LEU 104 -17.418   5.117  -8.158
  250    HB2  LEU 104           HB2      LEU 104 -19.019   6.567  -9.613
  251    HB3  LEU 104           HB3      LEU 104 -20.250   6.191  -8.418
  252    HG   LEU 104           HG       LEU 104 -17.557   7.501  -7.793
  253   HD11  LEU 104          HD11      LEU 104 -18.771   9.634  -7.762
  254   HD12  LEU 104          HD12      LEU 104 -18.901   8.880  -9.358
  255   HD13  LEU 104          HD13      LEU 104 -20.275   8.807  -8.235
  256   HD21  LEU 104          HD21      LEU 104 -18.552   6.623  -5.754
  257   HD22  LEU 104          HD22      LEU 104 -18.699   8.359  -5.762
  258   HD23  LEU 104          HD23      LEU 104 -20.120   7.361  -6.150
  259    H    ILE 105           H        ILE 105 -17.493   4.579  -6.013
  260    HA   ILE 105           HA       ILE 105 -19.158   2.370  -5.088
  261    HB   ILE 105           HB       ILE 105 -17.227   4.152  -3.561
  262   HG12  ILE 105          HG12      ILE 105 -16.826   1.299  -4.590
  263   HG13  ILE 105          HG13      ILE 105 -16.266   2.723  -5.467
  264   HG21  ILE 105          HG21      ILE 105 -18.688   1.550  -2.885
  265   HG22  ILE 105          HG22      ILE 105 -17.386   2.250  -1.884
  266   HG23  ILE 105          HG23      ILE 105 -18.906   3.119  -2.083
  267   HD11  ILE 105          HD11      ILE 105 -15.335   1.842  -2.720
  268   HD12  ILE 105          HD12      ILE 105 -14.399   1.958  -4.222
  269   HD13  ILE 105          HD13      ILE 105 -14.988   3.435  -3.432
  270    H    GLN 106           H        GLN 106 -21.229   2.620  -4.656
  271    HA   GLN 106           HA       GLN 106 -22.279   5.065  -3.339
  272    HB2  GLN 106           HB2      GLN 106 -23.923   5.388  -5.106
  273    HB3  GLN 106           HB3      GLN 106 -22.304   5.385  -5.787
  274    HG2  GLN 106           HG2      GLN 106 -22.737   2.877  -6.364
  275    HG3  GLN 106           HG3      GLN 106 -24.427   3.215  -5.998
  276   HE21  GLN 106          HE22      GLN 106 -21.740   3.894  -8.190
  277   HE22  GLN 106          HE21      GLN 106 -22.724   4.576  -9.487
  278    HA   PRO 107           HA       PRO 107 -24.868   2.605  -0.920
  279    HB2  PRO 107           HB2      PRO 107 -27.332   3.986  -2.000
  280    HB3  PRO 107           HB3      PRO 107 -26.893   3.659  -0.292
  281    HG2  PRO 107           HG2      PRO 107 -26.468   6.112  -1.331
  282    HG3  PRO 107           HG3      PRO 107 -25.184   5.343  -0.338
  283    HD2  PRO 107           HD2      PRO 107 -25.391   5.505  -3.348
  284    HD3  PRO 107           HD3      PRO 107 -23.976   5.795  -2.289
  285    H    ASP 108           H        ASP 108 -25.451   2.214  -4.230
  286    HA   ASP 108           HA       ASP 108 -27.364   0.169  -4.317
  287    HB2  ASP 108           HB2      ASP 108 -26.466   1.388  -6.277
  288    HB3  ASP 108           HB3      ASP 108 -24.905   0.595  -6.044
  289    H    LEU 109           H        LEU 109 -24.075   0.160  -3.199
  290    HA   LEU 109           HA       LEU 109 -24.182  -2.696  -2.536
  291    HB2  LEU 109           HB2      LEU 109 -21.964  -2.981  -3.234
  292    HB3  LEU 109           HB3      LEU 109 -22.690  -1.932  -4.434
  293    HG   LEU 109           HG       LEU 109 -21.610   0.006  -2.909
  294   HD11  LEU 109          HD11      LEU 109 -19.739  -2.376  -2.512
  295   HD12  LEU 109          HD12      LEU 109 -19.378  -0.685  -2.099
  296   HD13  LEU 109          HD13      LEU 109 -20.631  -1.557  -1.219
  297   HD21  LEU 109          HD21      LEU 109 -20.081  -1.717  -4.902
  298   HD22  LEU 109          HD22      LEU 109 -21.154  -0.354  -5.294
  299   HD23  LEU 109          HD23      LEU 109 -19.641  -0.068  -4.418
  300    HA   PRO 110           HA       PRO 110 -23.629  -1.416   1.620
  301    HB2  PRO 110           HB2      PRO 110 -22.459  -3.542   2.882
  302    HB3  PRO 110           HB3      PRO 110 -24.053  -3.655   2.079
  303    HG2  PRO 110           HG2      PRO 110 -21.353  -4.418   0.911
  304    HG3  PRO 110           HG3      PRO 110 -22.849  -5.406   0.978
  305    HD2  PRO 110           HD2      PRO 110 -22.173  -3.952  -1.224
  306    HD3  PRO 110           HD3      PRO 110 -23.877  -4.142  -0.719
  307    H    ALA 111           H        ALA 111 -22.251   0.224   0.663
  308    HA   ALA 111           HA       ALA 111 -19.381   0.273   1.100
  309    HB1  ALA 111           HB1      ALA 111 -21.358   2.475   0.355
  310    HB2  ALA 111           HB2      ALA 111 -19.589   2.553   0.201
  311    HB3  ALA 111           HB3      ALA 111 -20.514   1.403  -0.783
  312    H    ILE 112           H        ILE 112 -20.102  -0.419   3.508
  313    HA   ILE 112           HA       ILE 112 -20.717   0.036   5.632
  314    HB   ILE 112           HB       ILE 112 -18.337  -0.075   5.507
  315   HG12  ILE 112          HG12      ILE 112 -17.684   0.875   7.655
  316   HG13  ILE 112          HG13      ILE 112 -19.103   1.912   7.682
  317   HG21  ILE 112          HG21      ILE 112 -17.743   1.844   4.139
  318   HG22  ILE 112          HG22      ILE 112 -18.222   2.959   5.434
  319   HG23  ILE 112          HG23      ILE 112 -16.845   1.865   5.654
  320   HD11  ILE 112          HD11      ILE 112 -20.573  -0.058   7.862
  321   HD12  ILE 112          HD12      ILE 112 -19.169  -1.141   7.672
  322   HD13  ILE 112          HD13      ILE 112 -19.316  -0.119   9.110
  323    H    LEU 113           H        LEU 113 -22.620   1.004   4.758
  324    HA   LEU 113           HA       LEU 113 -22.999   3.860   4.691
  325    HB2  LEU 113           HB2      LEU 113 -25.027   1.586   4.706
  326    HB3  LEU 113           HB3      LEU 113 -25.383   3.257   4.295
  327    HG   LEU 113           HG       LEU 113 -23.494   1.454   2.719
  328   HD11  LEU 113          HD11      LEU 113 -25.861   0.763   2.576
  329   HD12  LEU 113          HD12      LEU 113 -26.309   2.411   2.072
  330   HD13  LEU 113          HD13      LEU 113 -25.260   1.404   1.041
  331   HD21  LEU 113          HD21      LEU 113 -23.634   3.224   0.986
  332   HD22  LEU 113          HD22      LEU 113 -24.549   4.248   2.116
  333   HD23  LEU 113          HD23      LEU 113 -22.859   3.815   2.460
  334    H    GLU 114           H        GLU 114 -23.179   1.678   7.358
  335    HA   GLU 114           HA       GLU 114 -24.119   3.800   9.174
  336    HB2  GLU 114           HB2      GLU 114 -26.165   2.773   8.499
  337    HB3  GLU 114           HB3      GLU 114 -25.571   1.161   8.949
  338    HG2  GLU 114           HG2      GLU 114 -25.440   1.885  11.320
  339    HG3  GLU 114           HG3      GLU 114 -25.928   3.516  10.864
  Start of MODEL    8
    1    H1   MET  71           H1       MET  71  -2.891   3.906   8.672
    2    H2   MET  71           H2       MET  71  -1.629   4.936   8.515
    3    H3   MET  71           H3       MET  71  -2.955   5.387   9.355
    4    HA   MET  71           HA       MET  71  -2.943   6.462   7.185
    5    HB2  MET  71           HB2      MET  71  -3.019   3.586   6.147
    6    HB3  MET  71           HB3      MET  71  -3.422   5.005   5.180
    7    HG2  MET  71           HG2      MET  71  -1.143   5.909   5.539
    8    HG3  MET  71           HG3      MET  71  -0.711   4.453   6.447
    9    HE1  MET  71           HE1      MET  71   0.964   5.585   3.983
   10    HE2  MET  71           HE2      MET  71   1.413   4.122   4.893
   11    HE3  MET  71           HE3      MET  71   1.336   4.077   3.118
   12    H    SER  72           H        SER  72  -4.927   7.223   6.510
   13    HA   SER  72           HA       SER  72  -7.371   5.793   7.514
   14    HB2  SER  72           HB2      SER  72  -6.708   8.744   7.823
   15    HB3  SER  72           HB3      SER  72  -8.147   7.905   8.434
   16    HG   SER  72           HG       SER  72  -6.524   8.175  10.057
   17    H    THR  73           H        THR  73  -6.169   6.483   4.660
   18    HA   THR  73           HA       THR  73  -8.239   8.122   3.375
   19    HB   THR  73           HB       THR  73  -7.262   7.554   1.355
   20    HG1  THR  73           HG1      THR  73  -5.419   6.191   1.268
   21   HG21  THR  73          HG21      THR  73  -6.213   9.363   2.697
   22   HG22  THR  73          HG22      THR  73  -5.056   8.192   3.356
   23   HG23  THR  73          HG23      THR  73  -5.056   8.559   1.621
   24    H    VAL  74           H        VAL  74  -9.616   7.327   1.638
   25    HA   VAL  74           HA       VAL  74 -10.352   4.482   1.659
   26    HB   VAL  74           HB       VAL  74 -11.693   5.365   3.426
   27   HG11  VAL  74          HG11      VAL  74 -11.827   7.767   2.782
   28   HG12  VAL  74          HG12      VAL  74 -12.949   7.339   1.468
   29   HG13  VAL  74          HG13      VAL  74 -13.405   7.082   3.162
   30   HG21  VAL  74          HG21      VAL  74 -13.447   4.819   1.028
   31   HG22  VAL  74          HG22      VAL  74 -12.773   3.629   2.178
   32   HG23  VAL  74          HG23      VAL  74 -13.960   4.811   2.721
   33    HA   PRO  75           HA       PRO  75 -10.784   5.517  -2.678
   34    HB2  PRO  75           HB2      PRO  75 -11.990   3.270  -3.647
   35    HB3  PRO  75           HB3      PRO  75 -10.294   3.315  -3.100
   36    HG2  PRO  75           HG2      PRO  75 -12.722   2.440  -1.498
   37    HG3  PRO  75           HG3      PRO  75 -11.179   1.555  -1.735
   38    HD2  PRO  75           HD2      PRO  75 -11.600   3.059   0.480
   39    HD3  PRO  75           HD3      PRO  75 -10.009   3.061  -0.314
   40    H    LYS  76           H        LYS  76 -12.294   5.772  -4.351
   41    HA   LYS  76           HA       LYS  76 -15.076   6.498  -3.483
   42    HB2  LYS  76           HB2      LYS  76 -13.670   8.423  -3.699
   43    HB3  LYS  76           HB3      LYS  76 -13.269   8.036  -5.385
   44    HG2  LYS  76           HG2      LYS  76 -15.608   8.356  -6.037
   45    HG3  LYS  76           HG3      LYS  76 -16.088   8.569  -4.344
   46    HD2  LYS  76           HD2      LYS  76 -14.837  10.636  -4.167
   47    HD3  LYS  76           HD3      LYS  76 -14.103  10.404  -5.766
   48    HE2  LYS  76           HE2      LYS  76 -16.309  10.572  -6.850
   49    HE3  LYS  76           HE3      LYS  76 -17.100  10.701  -5.271
   50    HZ1  LYS  76           HZ1      LYS  76 -15.187  12.704  -6.383
   51    HZ2  LYS  76           HZ2      LYS  76 -16.805  12.891  -6.281
   52    HZ3  LYS  76           HZ3      LYS  76 -15.911  12.815  -4.921
   53    H    TYR  77           H        TYR  77 -13.106   5.020  -5.997
   54    HA   TYR  77           HA       TYR  77 -15.575   4.057  -7.393
   55    HB2  TYR  77           HB2      TYR  77 -12.990   4.940  -8.721
   56    HB3  TYR  77           HB3      TYR  77 -14.447   4.395  -9.521
   57    HD1  TYR  77           HD2      TYR  77 -12.890   7.157  -7.602
   58    HD2  TYR  77           HD1      TYR  77 -16.240   5.973 -10.044
   59    HE1  TYR  77           HE2      TYR  77 -13.529   9.543  -7.903
   60    HE2  TYR  77           HE1      TYR  77 -16.848   8.348 -10.371
   61    HH   TYR  77           HH       TYR  77 -16.327  10.565  -9.888
   62    H    ARG  78           H        ARG  78 -15.418   1.960  -8.273
   63    HA   ARG  78           HA       ARG  78 -12.848   0.524  -8.117
   64    HB2  ARG  78           HB2      ARG  78 -13.992   0.178  -5.908
   65    HB3  ARG  78           HB3      ARG  78 -15.326  -0.623  -6.747
   66    HG2  ARG  78           HG2      ARG  78 -13.787  -2.372  -7.583
   67    HG3  ARG  78           HG3      ARG  78 -12.405  -1.471  -6.956
   68    HD2  ARG  78           HD2      ARG  78 -13.474  -1.741  -4.622
   69    HD3  ARG  78           HD3      ARG  78 -14.535  -2.943  -5.393
   70    HE   ARG  78           HE       ARG  78 -11.690  -3.360  -5.958
   71   HH11  ARG  78          HH11      ARG  78 -14.091  -4.058  -3.484
   72   HH12  ARG  78          HH12      ARG  78 -13.167  -5.393  -2.855
   73   HH21  ARG  78          HH21      ARG  78 -10.584  -5.037  -5.106
   74   HH22  ARG  78          HH22      ARG  78 -11.224  -5.931  -3.757
   75    H    ASP  79           H        ASP  79 -12.532  -0.376  -9.980
   76    HA   ASP  79           HA       ASP  79 -14.416  -0.641 -12.095
   77    HB2  ASP  79           HB2      ASP  79 -12.067  -0.373 -12.515
   78    HB3  ASP  79           HB3      ASP  79 -11.671  -1.827 -11.607
   79    HA   PRO  80           HA       PRO  80 -16.112  -4.554 -10.483
   80    HB2  PRO  80           HB2      PRO  80 -18.085  -5.028 -12.333
   81    HB3  PRO  80           HB3      PRO  80 -18.204  -3.789 -11.046
   82    HG2  PRO  80           HG2      PRO  80 -17.346  -3.398 -13.928
   83    HG3  PRO  80           HG3      PRO  80 -18.555  -2.449 -12.996
   84    HD2  PRO  80           HD2      PRO  80 -15.997  -1.591 -13.287
   85    HD3  PRO  80           HD3      PRO  80 -16.867  -1.374 -11.737
   86    H    ALA  81           H        ALA  81 -14.671  -4.165 -13.677
   87    HA   ALA  81           HA       ALA  81 -14.864  -6.954 -14.450
   88    HB1  ALA  81           HB1      ALA  81 -13.480  -6.224 -16.339
   89    HB2  ALA  81           HB2      ALA  81 -14.810  -5.081 -16.059
   90    HB3  ALA  81           HB3      ALA  81 -13.163  -4.671 -15.543
   91    H    THR  82           H        THR  82 -12.346  -4.996 -12.873
   92    HA   THR  82           HA       THR  82 -10.592  -7.425 -12.566
   93    HB   THR  82           HB       THR  82  -8.713  -6.074 -12.732
   94    HG1  THR  82           HG1      THR  82 -10.511  -3.933 -13.274
   95   HG21  THR  82          HG21      THR  82 -10.521  -5.461 -15.090
   96   HG22  THR  82          HG22      THR  82  -8.752  -5.660 -15.085
   97   HG23  THR  82          HG23      THR  82  -9.810  -7.055 -14.732
   98    H    GLY  83           H        GLY  83 -12.172  -4.878 -10.760
   99    HA2  GLY  83           HA2      GLY  83 -12.350  -4.758  -8.455
  100    HA3  GLY  83           HA3      GLY  83 -10.980  -5.844  -8.250
  101    H    LYS  84           H        LYS  84  -9.946  -3.487 -10.380
  102    HA   LYS  84           HA       LYS  84  -8.150  -2.134  -8.601
  103    HB2  LYS  84           HB2      LYS  84  -9.148  -1.499 -11.408
  104    HB3  LYS  84           HB3      LYS  84  -7.898  -0.554 -10.577
  105    HG2  LYS  84           HG2      LYS  84  -6.510  -2.540 -10.296
  106    HG3  LYS  84           HG3      LYS  84  -7.723  -3.551 -11.093
  107    HD2  LYS  84           HD2      LYS  84  -7.511  -2.138 -13.158
  108    HD3  LYS  84           HD3      LYS  84  -6.187  -1.253 -12.393
  109    HE2  LYS  84           HE2      LYS  84  -6.232  -4.271 -12.911
  110    HE3  LYS  84           HE3      LYS  84  -5.502  -3.087 -13.992
  111    HZ1  LYS  84           HZ1      LYS  84  -4.613  -3.605 -11.196
  112    HZ2  LYS  84           HZ2      LYS  84  -3.821  -4.041 -12.550
  113    HZ3  LYS  84           HZ3      LYS  84  -3.971  -2.461 -12.181
  114    H    THR  85           H        THR  85  -8.114  -0.036  -7.792
  115    HA   THR  85           HA       THR  85 -10.769   1.329  -7.491
  116    HB   THR  85           HB       THR  85  -9.935   1.969  -5.192
  117    HG1  THR  85           HG1      THR  85  -8.287   0.627  -4.334
  118   HG21  THR  85          HG21      THR  85 -10.310  -1.009  -5.691
  119   HG22  THR  85          HG22      THR  85 -10.478  -0.176  -4.130
  120   HG23  THR  85          HG23      THR  85 -11.597   0.202  -5.446
  121    H    TRP  86           H        TRP  86 -10.805   3.539  -6.962
  122    HA   TRP  86           HA       TRP  86  -8.338   5.112  -7.044
  123    HB2  TRP  86           HB2      TRP  86  -8.981   5.003  -9.425
  124    HB3  TRP  86           HB3      TRP  86 -10.578   5.621  -9.040
  125    HD1  TRP  86           HD1      TRP  86  -6.942   6.852  -8.326
  126    HE1  TRP  86           HE1      TRP  86  -6.867   9.409  -8.622
  127    HE3  TRP  86           HE3      TRP  86 -11.760   7.643  -9.829
  128    HZ2  TRP  86           HZ2      TRP  86  -8.658  11.512  -9.440
  129    HZ3  TRP  86           HZ3      TRP  86 -12.566   9.934 -10.329
  130    HH2  TRP  86           HH2      TRP  86 -11.071  11.871 -10.038
  131    H    SER  87           H        SER  87  -8.730   7.365  -6.277
  132    HA   SER  87           HA       SER  87 -11.017   7.413  -4.329
  133    HB2  SER  87           HB2      SER  87  -8.210   8.387  -3.800
  134    HB3  SER  87           HB3      SER  87  -9.526   8.077  -2.644
  135    HG   SER  87           HG       SER  87  -7.878   6.397  -2.757
  136    H    GLY  88           H        GLY  88 -10.483   9.116  -6.963
  137    HA2  GLY  88           HA2      GLY  88 -11.523  11.138  -7.498
  138    HA3  GLY  88           HA3      GLY  88 -11.771  11.474  -5.796
  139    H    ARG  89           H        ARG  89  -8.480  10.801  -6.416
  140    HA   ARG  89           HA       ARG  89  -7.730  13.670  -6.802
  141    HB2  ARG  89           HB2      ARG  89  -6.728  11.857  -4.557
  142    HB3  ARG  89           HB3      ARG  89  -6.040  13.428  -4.977
  143    HG2  ARG  89           HG2      ARG  89  -8.273  14.492  -4.491
  144    HG3  ARG  89           HG3      ARG  89  -8.870  12.913  -3.972
  145    HD2  ARG  89           HD2      ARG  89  -8.256  14.111  -2.007
  146    HD3  ARG  89           HD3      ARG  89  -7.060  12.823  -2.249
  147    HE   ARG  89           HE       ARG  89  -6.203  15.316  -3.468
  148   HH11  ARG  89          HH21      ARG  89  -6.437  13.833  -0.301
  149   HH12  ARG  89          HH22      ARG  89  -5.167  14.828   0.364
  150   HH21  ARG  89          HH11      ARG  89  -4.567  16.534  -2.569
  151   HH22  ARG  89          HH12      ARG  89  -4.140  16.314  -0.901
  152    H    GLY  90           H        GLY  90  -5.609  14.033  -7.534
  153    HA2  GLY  90           HA2      GLY  90  -3.768  13.636  -8.888
  154    HA3  GLY  90           HA3      GLY  90  -3.786  11.951  -8.369
  155    H    ARG  91           H        ARG  91  -3.059  11.816 -10.713
  156    HA   ARG  91           HA       ARG  91  -4.908  12.108 -12.900
  157    HB2  ARG  91           HB2      ARG  91  -2.549  12.065 -13.205
  158    HB3  ARG  91           HB3      ARG  91  -2.423  10.401 -12.597
  159    HG2  ARG  91           HG2      ARG  91  -3.775   9.608 -14.527
  160    HG3  ARG  91           HG3      ARG  91  -3.967  11.287 -15.085
  161    HD2  ARG  91           HD2      ARG  91  -1.511  11.455 -15.369
  162    HD3  ARG  91           HD3      ARG  91  -1.333   9.776 -14.820
  163    HE   ARG  91           HE       ARG  91  -3.173   9.801 -16.988
  164   HH11  ARG  91          HH11      ARG  91   0.265  10.341 -16.529
  165   HH12  ARG  91          HH12      ARG  91   0.651   9.860 -18.157
  166   HH21  ARG  91          HH21      ARG  91  -2.608   9.227 -19.062
  167   HH22  ARG  91          HH22      ARG  91  -0.946   9.262 -19.555
  168    H    GLN  92           H        GLN  92  -6.822  11.095 -12.958
  169    HA   GLN  92           HA       GLN  92  -7.490   8.648 -11.708
  170    HB2  GLN  92           HB2      GLN  92  -9.534   8.727 -13.015
  171    HB3  GLN  92           HB3      GLN  92  -9.145  10.307 -12.354
  172    HG2  GLN  92           HG2      GLN  92  -8.274  11.009 -14.598
  173    HG3  GLN  92           HG3      GLN  92  -8.714   9.425 -15.242
  174   HE21  GLN  92          HE22      GLN  92 -10.189  12.285 -13.536
  175   HE22  GLN  92          HE21      GLN  92 -11.719  12.125 -14.378
  176    HA   PRO  93           HA       PRO  93  -5.827   5.597 -14.485
  177    HB2  PRO  93           HB2      PRO  93  -7.301   3.382 -13.908
  178    HB3  PRO  93           HB3      PRO  93  -6.170   4.119 -12.739
  179    HG2  PRO  93           HG2      PRO  93  -9.171   4.532 -12.922
  180    HG3  PRO  93           HG3      PRO  93  -8.197   4.127 -11.473
  181    HD2  PRO  93           HD2      PRO  93  -8.921   6.690 -12.041
  182    HD3  PRO  93           HD3      PRO  93  -7.327   6.312 -11.324
  183    H    ALA  94           H        ALA  94  -6.347   4.140 -16.320
  184    HA   ALA  94           HA       ALA  94  -7.746   5.504 -18.295
  185    HB1  ALA  94           HB1      ALA  94  -5.902   3.935 -18.699
  186    HB2  ALA  94           HB2      ALA  94  -6.937   2.567 -18.227
  187    HB3  ALA  94           HB3      ALA  94  -7.315   3.514 -19.682
  188    H    TRP  95           H        TRP  95  -8.999   2.758 -16.352
  189    HA   TRP  95           HA       TRP  95 -11.433   2.399 -17.838
  190    HB2  TRP  95           HB2      TRP  95 -12.202   1.205 -15.786
  191    HB3  TRP  95           HB3      TRP  95 -10.696   0.625 -16.463
  192    HD1  TRP  95           HD1      TRP  95  -8.516   0.848 -15.022
  193    HE1  TRP  95           HE1      TRP  95  -8.107   1.220 -12.519
  194    HE3  TRP  95           HE3      TRP  95 -13.233   2.353 -13.622
  195    HZ2  TRP  95           HZ2      TRP  95  -9.605   2.047 -10.222
  196    HZ3  TRP  95           HZ3      TRP  95 -13.707   2.860 -11.256
  197    HH2  TRP  95           HH2      TRP  95 -11.912   2.734  -9.554
  198    H    LEU  96           H        LEU  96 -10.547   4.834 -15.484
  199    HA   LEU  96           HA       LEU  96 -13.215   5.559 -14.673
  200    HB2  LEU  96           HB2      LEU  96 -10.656   6.121 -13.807
  201    HB3  LEU  96           HB3      LEU  96 -11.035   7.596 -14.650
  202    HG   LEU  96           HG       LEU  96 -11.519   7.875 -12.343
  203   HD11  LEU  96          HD11      LEU  96 -13.877   8.421 -12.215
  204   HD12  LEU  96          HD12      LEU  96 -13.213   8.904 -13.785
  205   HD13  LEU  96          HD13      LEU  96 -14.220   7.448 -13.660
  206   HD21  LEU  96          HD21      LEU  96 -11.622   5.605 -11.594
  207   HD22  LEU  96          HD22      LEU  96 -13.146   6.383 -11.136
  208   HD23  LEU  96          HD23      LEU  96 -13.087   5.284 -12.520
  209    H    GLY  97           H        GLY  97 -11.152   6.472 -17.362
  210    HA2  GLY  97           HA2      GLY  97 -12.495   8.913 -18.068
  211    HA3  GLY  97           HA3      GLY  97 -11.245   8.084 -18.993
  212    H    ASN  98           H        ASN  98 -14.579   7.086 -18.089
  213    HA   ASN  98           HA       ASN  98 -15.438   7.222 -20.929
  214    HB2  ASN  98           HB2      ASN  98 -14.482   4.963 -20.714
  215    HB3  ASN  98           HB3      ASN  98 -15.489   4.640 -19.304
  216   HD21  ASN  98          HD22      ASN  98 -17.038   3.152 -19.965
  217   HD22  ASN  98          HD21      ASN  98 -17.953   3.308 -21.453
  218    H    ASP  99           H        ASP  99 -16.634   6.007 -17.722
  219    HA   ASP  99           HA       ASP  99 -18.860   7.925 -17.790
  220    HB2  ASP  99           HB2      ASP  99 -19.689   6.099 -19.209
  221    HB3  ASP  99           HB3      ASP  99 -19.380   4.934 -17.928
  222    HA   PRO 100           HA       PRO 100 -16.717   7.198 -13.748
  223    HB2  PRO 100           HB2      PRO 100 -18.127   9.792 -13.236
  224    HB3  PRO 100           HB3      PRO 100 -16.506   9.225 -12.700
  225    HG2  PRO 100           HG2      PRO 100 -16.733  10.857 -14.857
  226    HG3  PRO 100           HG3      PRO 100 -15.599   9.468 -14.887
  227    HD2  PRO 100           HD2      PRO 100 -18.342   9.700 -16.129
  228    HD3  PRO 100           HD3      PRO 100 -16.861   8.934 -16.779
  229    H    ALA 101           H        ALA 101 -20.190   7.981 -14.098
  230    HA   ALA 101           HA       ALA 101 -20.980   7.308 -11.454
  231    HB1  ALA 101           HB1      ALA 101 -22.309   8.699 -12.998
  232    HB2  ALA 101           HB2      ALA 101 -22.570   7.284 -14.052
  233    HB3  ALA 101           HB3      ALA 101 -23.250   7.314 -12.410
  234    H    ALA 102           H        ALA 102 -20.223   5.175 -14.164
  235    HA   ALA 102           HA       ALA 102 -22.028   3.063 -13.570
  236    HB1  ALA 102           HB1      ALA 102 -19.354   3.020 -15.043
  237    HB2  ALA 102           HB2      ALA 102 -20.637   1.800 -15.169
  238    HB3  ALA 102           HB3      ALA 102 -20.930   3.448 -15.755
  239    H    PHE 103           H        PHE 103 -18.899   3.773 -12.159
  240    HA   PHE 103           HA       PHE 103 -18.906   1.224 -10.596
  241    HB2  PHE 103           HB2      PHE 103 -16.366   1.278 -11.071
  242    HB3  PHE 103           HB3      PHE 103 -17.458   0.767 -12.338
  243    HD1  PHE 103           HD1      PHE 103 -16.089   4.039 -11.091
  244    HD2  PHE 103           HD2      PHE 103 -16.935   1.527 -14.482
  245    HE1  PHE 103           HE1      PHE 103 -15.395   5.853 -12.586
  246    HE2  PHE 103           HE2      PHE 103 -16.172   3.331 -16.001
  247    HZ   PHE 103           HZ       PHE 103 -15.438   5.513 -15.071
  248    H    LEU 104           H        LEU 104 -19.613   4.111  -9.873
  249    HA   LEU 104           HA       LEU 104 -17.733   4.980  -7.835
  250    HB2  LEU 104           HB2      LEU 104 -20.595   5.495  -8.540
  251    HB3  LEU 104           HB3      LEU 104 -20.095   5.850  -6.892
  252    HG   LEU 104           HG       LEU 104 -18.667   6.988  -9.310
  253   HD11  LEU 104          HD11      LEU 104 -19.906   9.064  -8.867
  254   HD12  LEU 104          HD12      LEU 104 -21.045   7.748  -9.199
  255   HD13  LEU 104          HD13      LEU 104 -20.780   8.278  -7.527
  256   HD21  LEU 104          HD21      LEU 104 -17.272   7.060  -7.306
  257   HD22  LEU 104          HD22      LEU 104 -17.886   8.679  -7.607
  258   HD23  LEU 104          HD23      LEU 104 -18.618   7.685  -6.331
  259    H    ILE 105           H        ILE 105 -17.595   4.442  -5.692
  260    HA   ILE 105           HA       ILE 105 -18.802   1.900  -4.766
  261    HB   ILE 105           HB       ILE 105 -16.939   3.828  -3.330
  262   HG12  ILE 105          HG12      ILE 105 -16.320   1.122  -4.610
  263   HG13  ILE 105          HG13      ILE 105 -15.991   2.667  -5.390
  264   HG21  ILE 105          HG21      ILE 105 -17.970   1.018  -2.695
  265   HG22  ILE 105          HG22      ILE 105 -16.699   1.849  -1.769
  266   HG23  ILE 105          HG23      ILE 105 -18.328   2.495  -1.770
  267   HD11  ILE 105          HD11      ILE 105 -14.730   1.632  -2.844
  268   HD12  ILE 105          HD12      ILE 105 -13.952   2.038  -4.382
  269   HD13  ILE 105          HD13      ILE 105 -14.636   3.331  -3.370
  270    H    GLN 106           H        GLN 106 -20.738   1.817  -3.864
  271    HA   GLN 106           HA       GLN 106 -21.843   4.079  -2.272
  272    HB2  GLN 106           HB2      GLN 106 -23.223   2.667  -4.606
  273    HB3  GLN 106           HB3      GLN 106 -24.037   3.742  -3.466
  274    HG2  GLN 106           HG2      GLN 106 -22.488   5.596  -4.147
  275    HG3  GLN 106           HG3      GLN 106 -21.808   4.543  -5.394
  276   HE21  GLN 106          HE22      GLN 106 -23.643   7.134  -5.365
  277   HE22  GLN 106          HE21      GLN 106 -24.874   6.688  -6.537
  278    HA   PRO 107           HA       PRO 107 -23.285   0.667   0.272
  279    HB2  PRO 107           HB2      PRO 107 -25.163   1.838   1.828
  280    HB3  PRO 107           HB3      PRO 107 -23.442   2.307   1.891
  281    HG2  PRO 107           HG2      PRO 107 -25.662   3.673   0.330
  282    HG3  PRO 107           HG3      PRO 107 -24.482   4.421   1.456
  283    HD2  PRO 107           HD2      PRO 107 -24.095   4.378  -1.245
  284    HD3  PRO 107           HD3      PRO 107 -22.731   4.229  -0.099
  285    H    ASP 108           H        ASP 108 -24.040  -0.082  -2.038
  286    HA   ASP 108           HA       ASP 108 -26.654  -0.118  -2.883
  287    HB2  ASP 108           HB2      ASP 108 -24.672  -0.922  -4.120
  288    HB3  ASP 108           HB3      ASP 108 -24.596  -2.340  -3.072
  289    H    LEU 109           H        LEU 109 -25.339  -1.852  -0.208
  290    HA   LEU 109           HA       LEU 109 -27.968  -2.812   0.594
  291    HB2  LEU 109           HB2      LEU 109 -25.386  -4.421   0.590
  292    HB3  LEU 109           HB3      LEU 109 -26.764  -4.873   1.583
  293    HG   LEU 109           HG       LEU 109 -26.820  -4.722  -1.467
  294   HD11  LEU 109          HD11      LEU 109 -26.676  -7.120   0.404
  295   HD12  LEU 109          HD12      LEU 109 -26.841  -7.174  -1.363
  296   HD13  LEU 109          HD13      LEU 109 -25.366  -6.528  -0.634
  297   HD21  LEU 109          HD21      LEU 109 -28.944  -5.995  -1.223
  298   HD22  LEU 109          HD22      LEU 109 -28.847  -5.812   0.543
  299   HD23  LEU 109          HD23      LEU 109 -29.066  -4.391  -0.503
  300    HA   PRO 110           HA       PRO 110 -27.066  -0.838   4.455
  301    HB2  PRO 110           HB2      PRO 110 -27.750  -3.416   5.830
  302    HB3  PRO 110           HB3      PRO 110 -28.291  -1.738   6.179
  303    HG2  PRO 110           HG2      PRO 110 -29.925  -3.446   4.838
  304    HG3  PRO 110           HG3      PRO 110 -29.774  -1.737   4.311
  305    HD2  PRO 110           HD2      PRO 110 -28.433  -4.185   3.151
  306    HD3  PRO 110           HD3      PRO 110 -29.203  -2.802   2.313
  307    H    ALA 111           H        ALA 111 -25.388  -0.463   5.832
  308    HA   ALA 111           HA       ALA 111 -23.429  -2.560   6.555
  309    HB1  ALA 111           HB1      ALA 111 -22.736   0.020   5.061
  310    HB2  ALA 111           HB2      ALA 111 -21.557  -1.140   5.726
  311    HB3  ALA 111           HB3      ALA 111 -22.632  -1.628   4.404
  312    H    ILE 112           H        ILE 112 -21.915  -1.833   8.177
  313    HA   ILE 112           HA       ILE 112 -21.892  -1.374  10.416
  314    HB   ILE 112           HB       ILE 112 -20.186  -0.182   9.256
  315   HG12  ILE 112          HG12      ILE 112 -19.470   1.441  10.888
  316   HG13  ILE 112          HG13      ILE 112 -21.089   1.578  11.562
  317   HG21  ILE 112          HG21      ILE 112 -21.963   2.290   9.204
  318   HG22  ILE 112          HG22      ILE 112 -20.256   2.208   8.729
  319   HG23  ILE 112          HG23      ILE 112 -21.464   1.314   7.806
  320   HD11  ILE 112          HD11      ILE 112 -20.971  -0.742  12.392
  321   HD12  ILE 112          HD12      ILE 112 -19.397  -0.966  11.585
  322   HD13  ILE 112          HD13      ILE 112 -19.558   0.175  12.932
  323    H    LEU 113           H        LEU 113 -24.121  -1.848  10.618
  324    HA   LEU 113           HA       LEU 113 -25.545   0.241  12.163
  325    HB2  LEU 113           HB2      LEU 113 -26.324   0.468   9.840
  326    HB3  LEU 113           HB3      LEU 113 -26.696  -1.254   9.774
  327    HG   LEU 113           HG       LEU 113 -28.466  -0.944  11.498
  328   HD11  LEU 113          HD11      LEU 113 -29.220   1.374  12.035
  329   HD12  LEU 113          HD12      LEU 113 -27.621   1.031  12.700
  330   HD13  LEU 113          HD13      LEU 113 -27.772   2.016  11.226
  331   HD21  LEU 113          HD21      LEU 113 -30.046   0.257  10.050
  332   HD22  LEU 113          HD22      LEU 113 -28.694   0.929   9.108
  333   HD23  LEU 113          HD23      LEU 113 -29.011  -0.821   9.101
  334    H    GLU 114           H        GLU 114 -25.580  -3.177  11.065
  335    HA   GLU 114           HA       GLU 114 -26.163  -4.156  13.764
  336    HB2  GLU 114           HB2      GLU 114 -28.120  -5.446  13.089
  337    HB3  GLU 114           HB3      GLU 114 -28.406  -3.718  12.937
  338    HG2  GLU 114           HG2      GLU 114 -28.078  -3.873  10.471
  339    HG3  GLU 114           HG3      GLU 114 -27.778  -5.607  10.625
  Start of MODEL    9
    1    H1   MET  71           H1       MET  71  -5.458   1.984   7.576
    2    H2   MET  71           H2       MET  71  -6.963   2.581   7.795
    3    H3   MET  71           H3       MET  71  -6.033   3.133   6.565
    4    HA   MET  71           HA       MET  71  -5.476   3.468   9.449
    5    HB2  MET  71           HB2      MET  71  -3.406   3.285   8.119
    6    HB3  MET  71           HB3      MET  71  -3.903   4.653   7.119
    7    HG2  MET  71           HG2      MET  71  -3.879   6.114   9.138
    8    HG3  MET  71           HG3      MET  71  -3.438   4.724  10.135
    9    HE1  MET  71           HE1      MET  71  -1.436   6.125  11.159
   10    HE2  MET  71           HE2      MET  71  -0.202   6.948  10.176
   11    HE3  MET  71           HE3      MET  71  -1.888   7.508  10.140
   12    H    SER  72           H        SER  72  -5.589   5.925   6.790
   13    HA   SER  72           HA       SER  72  -7.761   7.344   8.298
   14    HB2  SER  72           HB2      SER  72  -6.409   9.396   8.011
   15    HB3  SER  72           HB3      SER  72  -5.595   8.167   8.988
   16    HG   SER  72           HG       SER  72  -4.204   9.123   7.377
   17    H    THR  73           H        THR  73  -7.316   5.995   5.362
   18    HA   THR  73           HA       THR  73  -8.940   8.043   3.905
   19    HB   THR  73           HB       THR  73  -7.732   7.840   1.955
   20    HG1  THR  73           HG1      THR  73  -5.717   6.735   1.882
   21   HG21  THR  73          HG21      THR  73  -7.003   9.611   3.525
   22   HG22  THR  73          HG22      THR  73  -5.731   8.531   4.133
   23   HG23  THR  73          HG23      THR  73  -5.706   9.076   2.443
   24    H    VAL  74           H        VAL  74  -9.993   7.192   1.977
   25    HA   VAL  74           HA       VAL  74 -10.462   4.257   1.889
   26    HB   VAL  74           HB       VAL  74 -12.933   4.670   1.742
   27   HG11  VAL  74          HG11      VAL  74 -11.750   5.483   4.416
   28   HG12  VAL  74          HG12      VAL  74 -13.344   4.769   4.112
   29   HG13  VAL  74          HG13      VAL  74 -11.879   3.816   3.813
   30   HG21  VAL  74          HG21      VAL  74 -12.934   7.105   1.266
   31   HG22  VAL  74          HG22      VAL  74 -13.925   6.682   2.666
   32   HG23  VAL  74          HG23      VAL  74 -12.329   7.418   2.911
   33    HA   PRO  75           HA       PRO  75 -10.767   5.101  -2.533
   34    HB2  PRO  75           HB2      PRO  75 -12.265   3.031  -3.451
   35    HB3  PRO  75           HB3      PRO  75 -10.594   2.829  -2.855
   36    HG2  PRO  75           HG2      PRO  75 -13.170   2.383  -1.319
   37    HG3  PRO  75           HG3      PRO  75 -11.771   1.273  -1.470
   38    HD2  PRO  75           HD2      PRO  75 -12.061   2.906   0.676
   39    HD3  PRO  75           HD3      PRO  75 -10.447   2.593  -0.022
   40    H    LYS  76           H        LYS  76 -12.268   5.568  -4.173
   41    HA   LYS  76           HA       LYS  76 -15.011   6.459  -3.343
   42    HB2  LYS  76           HB2      LYS  76 -13.455   8.306  -3.312
   43    HB3  LYS  76           HB3      LYS  76 -13.082   8.088  -5.030
   44    HG2  LYS  76           HG2      LYS  76 -15.410   8.611  -5.623
   45    HG3  LYS  76           HG3      LYS  76 -15.863   8.668  -3.907
   46    HD2  LYS  76           HD2      LYS  76 -14.351  10.614  -3.563
   47    HD3  LYS  76           HD3      LYS  76 -13.825  10.503  -5.241
   48    HE2  LYS  76           HE2      LYS  76 -15.385  12.277  -5.190
   49    HE3  LYS  76           HE3      LYS  76 -16.197  10.927  -5.983
   50    HZ1  LYS  76           HZ1      LYS  76 -17.631  12.018  -4.335
   51    HZ2  LYS  76           HZ2      LYS  76 -17.368  10.483  -3.857
   52    HZ3  LYS  76           HZ3      LYS  76 -16.583  11.722  -3.128
   53    H    TYR  77           H        TYR  77 -12.996   4.971  -5.780
   54    HA   TYR  77           HA       TYR  77 -15.388   4.351  -7.450
   55    HB2  TYR  77           HB2      TYR  77 -12.676   5.090  -8.582
   56    HB3  TYR  77           HB3      TYR  77 -14.187   4.868  -9.449
   57    HD1  TYR  77           HD1      TYR  77 -12.254   7.100  -7.196
   58    HD2  TYR  77           HD2      TYR  77 -15.731   6.736  -9.712
   59    HE1  TYR  77           HE1      TYR  77 -12.585   9.564  -7.104
   60    HE2  TYR  77           HE2      TYR  77 -16.027   9.221  -9.633
   61    HH   TYR  77           HH       TYR  77 -15.233  11.220  -8.831
   62    H    ARG  78           H        ARG  78 -15.343   2.286  -8.367
   63    HA   ARG  78           HA       ARG  78 -12.876   0.680  -8.249
   64    HB2  ARG  78           HB2      ARG  78 -14.120   0.292  -6.086
   65    HB3  ARG  78           HB3      ARG  78 -15.475  -0.360  -7.024
   66    HG2  ARG  78           HG2      ARG  78 -14.039  -2.158  -7.919
   67    HG3  ARG  78           HG3      ARG  78 -12.621  -1.410  -7.175
   68    HD2  ARG  78           HD2      ARG  78 -13.802  -1.750  -4.913
   69    HD3  ARG  78           HD3      ARG  78 -14.917  -2.819  -5.800
   70    HE   ARG  78           HE       ARG  78 -12.101  -3.414  -6.310
   71   HH11  ARG  78          HH11      ARG  78 -14.597  -4.052  -3.927
   72   HH12  ARG  78          HH12      ARG  78 -13.771  -5.457  -3.318
   73   HH21  ARG  78          HH21      ARG  78 -11.113  -5.180  -5.500
   74   HH22  ARG  78          HH22      ARG  78 -11.839  -6.092  -4.206
   75    H    ASP  79           H        ASP  79 -12.580  -0.256 -10.101
   76    HA   ASP  79           HA       ASP  79 -14.446  -0.309 -12.277
   77    HB2  ASP  79           HB2      ASP  79 -12.087  -0.192 -12.686
   78    HB3  ASP  79           HB3      ASP  79 -11.785  -1.663 -11.766
   79    HA   PRO  80           HA       PRO  80 -16.392  -4.143 -10.747
   80    HB2  PRO  80           HB2      PRO  80 -18.408  -4.426 -12.577
   81    HB3  PRO  80           HB3      PRO  80 -18.427  -3.206 -11.268
   82    HG2  PRO  80           HG2      PRO  80 -17.582  -2.816 -14.152
   83    HG3  PRO  80           HG3      PRO  80 -18.708  -1.808 -13.184
   84    HD2  PRO  80           HD2      PRO  80 -16.084  -1.141 -13.488
   85    HD3  PRO  80           HD3      PRO  80 -16.946  -0.857 -11.942
   86    H    ALA  81           H        ALA  81 -14.969  -3.695 -13.943
   87    HA   ALA  81           HA       ALA  81 -15.346  -6.407 -14.865
   88    HB1  ALA  81           HB1      ALA  81 -13.447  -4.222 -15.812
   89    HB2  ALA  81           HB2      ALA  81 -13.902  -5.686 -16.711
   90    HB3  ALA  81           HB3      ALA  81 -15.123  -4.445 -16.352
   91    H    THR  82           H        THR  82 -12.638  -4.747 -13.243
   92    HA   THR  82           HA       THR  82 -11.160  -7.360 -12.988
   93    HB   THR  82           HB       THR  82  -9.142  -6.247 -13.161
   94    HG1  THR  82           HG1      THR  82 -10.685  -3.892 -13.598
   95   HG21  THR  82          HG21      THR  82 -10.885  -5.386 -15.489
   96   HG22  THR  82          HG22      THR  82  -9.155  -5.797 -15.504
   97   HG23  THR  82          HG23      THR  82 -10.363  -7.056 -15.157
   98    H    GLY  83           H        GLY  83 -12.491  -4.722 -11.143
   99    HA2  GLY  83           HA2      GLY  83 -12.720  -4.715  -8.837
  100    HA3  GLY  83           HA3      GLY  83 -11.398  -5.864  -8.660
  101    H    LYS  84           H        LYS  84 -10.228  -3.444 -10.643
  102    HA   LYS  84           HA       LYS  84  -8.372  -2.329  -8.777
  103    HB2  LYS  84           HB2      LYS  84  -9.332  -1.418 -11.520
  104    HB3  LYS  84           HB3      LYS  84  -8.016  -0.637 -10.634
  105    HG2  LYS  84           HG2      LYS  84  -6.772  -2.736 -10.509
  106    HG3  LYS  84           HG3      LYS  84  -8.057  -3.597 -11.363
  107    HD2  LYS  84           HD2      LYS  84  -7.762  -2.025 -13.312
  108    HD3  LYS  84           HD3      LYS  84  -6.353  -1.327 -12.503
  109    HE2  LYS  84           HE2      LYS  84  -6.687  -4.271 -13.287
  110    HE3  LYS  84           HE3      LYS  84  -5.848  -3.066 -14.264
  111    HZ1  LYS  84           HZ1      LYS  84  -5.003  -3.925 -11.541
  112    HZ2  LYS  84           HZ2      LYS  84  -4.266  -4.314 -12.941
  113    HZ3  LYS  84           HZ3      LYS  84  -4.254  -2.765 -12.428
  114    H    THR  85           H        THR  85  -8.196  -0.311  -7.810
  115    HA   THR  85           HA       THR  85 -10.761   1.188  -7.359
  116    HB   THR  85           HB       THR  85  -9.855   1.515  -4.992
  117    HG1  THR  85           HG1      THR  85  -7.748   0.789  -5.180
  118   HG21  THR  85          HG21      THR  85 -10.585  -1.316  -5.828
  119   HG22  THR  85          HG22      THR  85 -10.666  -0.650  -4.186
  120   HG23  THR  85          HG23      THR  85 -11.721   0.010  -5.443
  121    H    TRP  86           H        TRP  86 -10.694   3.340  -6.750
  122    HA   TRP  86           HA       TRP  86  -8.156   4.814  -6.608
  123    HB2  TRP  86           HB2      TRP  86  -8.611   4.754  -9.013
  124    HB3  TRP  86           HB3      TRP  86 -10.235   5.375  -8.754
  125    HD1  TRP  86           HD1      TRP  86  -6.662   6.599  -7.776
  126    HE1  TRP  86           HE1      TRP  86  -6.523   9.138  -8.185
  127    HE3  TRP  86           HE3      TRP  86 -11.318   7.350  -9.763
  128    HZ2  TRP  86           HZ2      TRP  86  -8.281  11.242  -9.078
  129    HZ3  TRP  86           HZ3      TRP  86 -12.100   9.648 -10.268
  130    HH2  TRP  86           HH2      TRP  86 -10.646  11.590  -9.835
  131    H    SER  87           H        SER  87  -8.591   7.148  -5.923
  132    HA   SER  87           HA       SER  87 -10.997   7.275  -4.132
  133    HB2  SER  87           HB2      SER  87  -9.429   8.013  -2.361
  134    HB3  SER  87           HB3      SER  87  -8.983   6.427  -3.000
  135    HG   SER  87           HG       SER  87  -7.142   7.776  -2.874
  136    H    GLY  88           H        GLY  88  -9.903   9.026  -6.658
  137    HA2  GLY  88           HA2      GLY  88 -10.721  11.161  -7.237
  138    HA3  GLY  88           HA3      GLY  88 -11.168  11.463  -5.572
  139    H    ARG  89           H        ARG  89  -7.898  10.413  -6.131
  140    HA   ARG  89           HA       ARG  89  -6.817  13.200  -5.843
  141    HB2  ARG  89           HB2      ARG  89  -5.901  10.652  -4.439
  142    HB3  ARG  89           HB3      ARG  89  -5.056  12.206  -4.389
  143    HG2  ARG  89           HG2      ARG  89  -7.055  13.259  -3.336
  144    HG3  ARG  89           HG3      ARG  89  -7.880  11.698  -3.353
  145    HD2  ARG  89           HD2      ARG  89  -6.988  12.043  -1.130
  146    HD3  ARG  89           HD3      ARG  89  -6.117  10.733  -1.913
  147    HE   ARG  89           HE       ARG  89  -4.160  11.966  -1.893
  148   HH11  ARG  89          HH11      ARG  89  -6.740  14.174  -0.998
  149   HH12  ARG  89          HH12      ARG  89  -5.625  15.419  -0.510
  150   HH21  ARG  89          HH21      ARG  89  -2.804  13.599  -1.271
  151   HH22  ARG  89          HH22      ARG  89  -3.449  15.092  -0.655
  152    H    GLY  90           H        GLY  90  -5.018  13.710  -6.987
  153    HA2  GLY  90           HA2      GLY  90  -3.515  13.635  -8.746
  154    HA3  GLY  90           HA3      GLY  90  -3.456  11.878  -8.603
  155    H    ARG  91           H        ARG  91  -3.329  12.213 -11.042
  156    HA   ARG  91           HA       ARG  91  -5.663  12.866 -12.601
  157    HB2  ARG  91           HB2      ARG  91  -3.424  12.897 -13.459
  158    HB3  ARG  91           HB3      ARG  91  -3.261  11.139 -13.255
  159    HG2  ARG  91           HG2      ARG  91  -5.062  10.797 -14.935
  160    HG3  ARG  91           HG3      ARG  91  -5.263  12.556 -15.087
  161    HD2  ARG  91           HD2      ARG  91  -2.932  12.749 -15.884
  162    HD3  ARG  91           HD3      ARG  91  -2.726  10.991 -15.721
  163    HE   ARG  91           HE       ARG  91  -4.993  11.483 -17.378
  164   HH11  ARG  91          HH11      ARG  91  -1.518  11.854 -17.596
  165   HH12  ARG  91          HH12      ARG  91  -1.512  11.691 -19.331
  166   HH21  ARG  91          HH21      ARG  91  -4.920  11.276 -19.597
  167   HH22  ARG  91          HH22      ARG  91  -3.395  11.374 -20.430
  168    H    GLN  92           H        GLN  92  -7.375  11.605 -13.280
  169    HA   GLN  92           HA       GLN  92  -8.182   9.292 -11.876
  170    HB2  GLN  92           HB2      GLN  92  -9.906   9.046 -13.608
  171    HB3  GLN  92           HB3      GLN  92  -9.797  10.698 -13.014
  172    HG2  GLN  92           HG2      GLN  92  -8.792  11.470 -15.047
  173    HG3  GLN  92           HG3      GLN  92  -8.376   9.845 -15.580
  174   HE21  GLN  92          HE22      GLN  92 -10.058   8.431 -16.429
  175   HE22  GLN  92          HE21      GLN  92 -11.525   9.195 -17.064
  176    HA   PRO  93           HA       PRO  93  -6.246   5.934 -14.230
  177    HB2  PRO  93           HB2      PRO  93  -7.902   3.847 -13.697
  178    HB3  PRO  93           HB3      PRO  93  -6.828   4.555 -12.455
  179    HG2  PRO  93           HG2      PRO  93  -9.770   5.111 -12.896
  180    HG3  PRO  93           HG3      PRO  93  -8.933   4.757 -11.360
  181    HD2  PRO  93           HD2      PRO  93  -9.501   7.308 -12.162
  182    HD3  PRO  93           HD3      PRO  93  -8.015   6.916 -11.238
  183    H    ALA  94           H        ALA  94  -6.667   4.557 -16.106
  184    HA   ALA  94           HA       ALA  94  -8.195   5.864 -18.116
  185    HB1  ALA  94           HB1      ALA  94  -6.128   4.594 -18.529
  186    HB2  ALA  94           HB2      ALA  94  -6.950   3.079 -18.093
  187    HB3  ALA  94           HB3      ALA  94  -7.456   3.983 -19.532
  188    H    TRP  95           H        TRP  95  -8.973   2.929 -16.193
  189    HA   TRP  95           HA       TRP  95 -11.254   2.108 -17.683
  190    HB2  TRP  95           HB2      TRP  95 -11.914   0.938 -15.544
  191    HB3  TRP  95           HB3      TRP  95 -10.352   0.534 -16.233
  192    HD1  TRP  95           HD1      TRP  95  -8.297   0.755 -14.743
  193    HE1  TRP  95           HE1      TRP  95  -7.913   1.304 -12.266
  194    HE3  TRP  95           HE3      TRP  95 -12.959   2.628 -13.574
  195    HZ2  TRP  95           HZ2      TRP  95  -9.449   2.257 -10.053
  196    HZ3  TRP  95           HZ3      TRP  95 -13.442   3.321 -11.254
  197    HH2  TRP  95           HH2      TRP  95 -11.728   3.105  -9.490
  198    H    LEU  96           H        LEU  96 -10.975   4.795 -15.461
  199    HA   LEU  96           HA       LEU  96 -13.762   5.024 -14.815
  200    HB2  LEU  96           HB2      LEU  96 -11.616   6.107 -13.730
  201    HB3  LEU  96           HB3      LEU  96 -11.826   7.341 -14.967
  202    HG   LEU  96           HG       LEU  96 -14.272   7.548 -14.032
  203   HD11  LEU  96          HD11      LEU  96 -12.927   6.229 -11.630
  204   HD12  LEU  96          HD12      LEU  96 -14.593   6.840 -11.756
  205   HD13  LEU  96          HD13      LEU  96 -14.101   5.408 -12.670
  206   HD21  LEU  96          HD21      LEU  96 -11.876   8.347 -12.344
  207   HD22  LEU  96          HD22      LEU  96 -12.583   9.275 -13.683
  208   HD23  LEU  96          HD23      LEU  96 -13.510   9.022 -12.193
  209    H    GLY  97           H        GLY  97 -12.124   5.624 -17.790
  210    HA2  GLY  97           HA2      GLY  97 -12.687   6.698 -19.756
  211    HA3  GLY  97           HA3      GLY  97 -14.343   6.279 -19.326
  212    H    ASN  98           H        ASN  98 -15.564   8.030 -19.691
  213    HA   ASN  98           HA       ASN  98 -14.789  10.681 -18.532
  214    HB2  ASN  98           HB2      ASN  98 -16.113  10.098 -21.216
  215    HB3  ASN  98           HB3      ASN  98 -15.925  11.703 -20.521
  216   HD21  ASN  98          HD22      ASN  98 -14.413   9.426 -22.546
  217   HD22  ASN  98          HD21      ASN  98 -12.838  10.204 -22.571
  218    H    ASP  99           H        ASP  99 -16.676   8.317 -17.693
  219    HA   ASP  99           HA       ASP  99 -18.864  10.042 -16.726
  220    HB2  ASP  99           HB2      ASP  99 -19.726   9.256 -18.864
  221    HB3  ASP  99           HB3      ASP  99 -19.391   7.581 -18.415
  222    HA   PRO 100           HA       PRO 100 -16.845   7.239 -13.613
  223    HB2  PRO 100           HB2      PRO 100 -17.987   9.382 -11.854
  224    HB3  PRO 100           HB3      PRO 100 -16.420   8.505 -11.759
  225    HG2  PRO 100           HG2      PRO 100 -16.528  11.006 -12.800
  226    HG3  PRO 100           HG3      PRO 100 -15.526   9.738 -13.580
  227    HD2  PRO 100           HD2      PRO 100 -18.273  10.715 -14.380
  228    HD3  PRO 100           HD3      PRO 100 -16.854  10.343 -15.400
  229    H    ALA 101           H        ALA 101 -20.243   8.174 -13.789
  230    HA   ALA 101           HA       ALA 101 -21.275   7.095 -11.446
  231    HB1  ALA 101           HB1      ALA 101 -22.551   7.213 -14.206
  232    HB2  ALA 101           HB2      ALA 101 -23.418   7.069 -12.665
  233    HB3  ALA 101           HB3      ALA 101 -22.494   8.539 -13.017
  234    H    ALA 102           H        ALA 102 -20.310   5.234 -14.310
  235    HA   ALA 102           HA       ALA 102 -21.721   2.817 -13.635
  236    HB1  ALA 102           HB1      ALA 102 -20.989   3.371 -15.910
  237    HB2  ALA 102           HB2      ALA 102 -19.287   3.315 -15.394
  238    HB3  ALA 102           HB3      ALA 102 -20.266   1.838 -15.385
  239    H    PHE 103           H        PHE 103 -18.707   4.115 -12.435
  240    HA   PHE 103           HA       PHE 103 -18.116   1.590 -10.943
  241    HB2  PHE 103           HB2      PHE 103 -15.657   2.903 -11.458
  242    HB3  PHE 103           HB3      PHE 103 -16.206   1.343 -12.017
  243    HD1  PHE 103           HD2      PHE 103 -16.439   4.987 -12.856
  244    HD2  PHE 103           HD1      PHE 103 -16.445   0.942 -14.346
  245    HE1  PHE 103           HE2      PHE 103 -16.610   5.830 -15.178
  246    HE2  PHE 103           HE1      PHE 103 -16.540   1.803 -16.673
  247    HZ   PHE 103           HZ       PHE 103 -16.627   4.248 -17.092
  248    H    LEU 104           H        LEU 104 -18.805   4.877 -10.576
  249    HA   LEU 104           HA       LEU 104 -17.413   5.611  -8.226
  250    HB2  LEU 104           HB2      LEU 104 -19.873   6.335  -9.683
  251    HB3  LEU 104           HB3      LEU 104 -20.082   6.506  -7.944
  252    HG   LEU 104           HG       LEU 104 -17.827   7.755  -9.532
  253   HD11  LEU 104          HD11      LEU 104 -20.389   8.996  -8.450
  254   HD12  LEU 104          HD12      LEU 104 -19.058   9.881  -9.226
  255   HD13  LEU 104          HD13      LEU 104 -20.001   8.715 -10.163
  256   HD21  LEU 104          HD21      LEU 104 -17.179   7.525  -7.177
  257   HD22  LEU 104          HD22      LEU 104 -17.594   9.205  -7.461
  258   HD23  LEU 104          HD23      LEU 104 -18.757   8.143  -6.638
  259    H    ILE 105           H        ILE 105 -17.499   4.941  -6.116
  260    HA   ILE 105           HA       ILE 105 -19.153   2.621  -5.374
  261    HB   ILE 105           HB       ILE 105 -17.393   4.380  -3.621
  262   HG12  ILE 105          HG12      ILE 105 -16.855   1.591  -4.748
  263   HG13  ILE 105          HG13      ILE 105 -16.216   3.069  -5.458
  264   HG21  ILE 105          HG21      ILE 105 -19.203   3.238  -2.344
  265   HG22  ILE 105          HG22      ILE 105 -18.846   1.713  -3.182
  266   HG23  ILE 105          HG23      ILE 105 -17.680   2.418  -2.034
  267   HD11  ILE 105          HD11      ILE 105 -14.483   2.236  -4.091
  268   HD12  ILE 105          HD12      ILE 105 -15.179   3.638  -3.235
  269   HD13  ILE 105          HD13      ILE 105 -15.564   1.983  -2.708
  270    H    GLN 106           H        GLN 106 -21.189   2.729  -4.819
  271    HA   GLN 106           HA       GLN 106 -22.433   5.199  -3.753
  272    HB2  GLN 106           HB2      GLN 106 -24.105   5.193  -5.549
  273    HB3  GLN 106           HB3      GLN 106 -22.481   5.375  -6.188
  274    HG2  GLN 106           HG2      GLN 106 -22.569   2.790  -6.621
  275    HG3  GLN 106           HG3      GLN 106 -24.305   2.957  -6.353
  276   HE21  GLN 106          HE22      GLN 106 -21.587   3.781  -8.474
  277   HE22  GLN 106          HE21      GLN 106 -22.580   4.278  -9.847
  278    HA   PRO 107           HA       PRO 107 -24.559   2.325  -1.248
  279    HB2  PRO 107           HB2      PRO 107 -26.952   3.541  -0.654
  280    HB3  PRO 107           HB3      PRO 107 -25.369   4.091  -0.030
  281    HG2  PRO 107           HG2      PRO 107 -26.899   5.166  -2.417
  282    HG3  PRO 107           HG3      PRO 107 -26.127   6.087  -1.088
  283    HD2  PRO 107           HD2      PRO 107 -24.889   5.728  -3.477
  284    HD3  PRO 107           HD3      PRO 107 -23.962   5.696  -1.950
  285    H    ASP 108           H        ASP 108 -25.556   0.434  -1.617
  286    HA   ASP 108           HA       ASP 108 -27.056  -0.212  -3.867
  287    HB2  ASP 108           HB2      ASP 108 -25.828  -1.800  -2.433
  288    HB3  ASP 108           HB3      ASP 108 -27.014  -1.557  -1.150
  289    H    LEU 109           H        LEU 109 -28.130   1.043  -0.778
  290    HA   LEU 109           HA       LEU 109 -30.891   0.446  -0.920
  291    HB2  LEU 109           HB2      LEU 109 -29.275   2.522   0.613
  292    HB3  LEU 109           HB3      LEU 109 -31.006   2.423   0.765
  293    HG   LEU 109           HG       LEU 109 -29.953   1.358   2.627
  294   HD11  LEU 109          HD11      LEU 109 -31.115  -0.761   2.663
  295   HD12  LEU 109          HD12      LEU 109 -32.113   0.440   1.836
  296   HD13  LEU 109          HD13      LEU 109 -31.238  -0.790   0.896
  297   HD21  LEU 109          HD21      LEU 109 -28.631  -0.636   2.545
  298   HD22  LEU 109          HD22      LEU 109 -28.766  -0.743   0.786
  299   HD23  LEU 109          HD23      LEU 109 -27.849   0.589   1.534
  300    HA   PRO 110           HA       PRO 110 -32.459   3.615  -3.691
  301    HB2  PRO 110           HB2      PRO 110 -34.978   4.063  -2.725
  302    HB3  PRO 110           HB3      PRO 110 -34.500   2.555  -3.567
  303    HG2  PRO 110           HG2      PRO 110 -34.654   3.052  -0.579
  304    HG3  PRO 110           HG3      PRO 110 -35.330   1.675  -1.508
  305    HD2  PRO 110           HD2      PRO 110 -32.942   1.503  -0.222
  306    HD3  PRO 110           HD3      PRO 110 -33.199   0.709  -1.802
  307    H    ALA 111           H        ALA 111 -32.917   5.804  -3.863
  308    HA   ALA 111           HA       ALA 111 -31.758   7.577  -1.919
  309    HB1  ALA 111           HB1      ALA 111 -31.745   7.970  -4.368
  310    HB2  ALA 111           HB2      ALA 111 -33.513   8.149  -4.351
  311    HB3  ALA 111           HB3      ALA 111 -32.486   9.327  -3.505
  312    H    ILE 112           H        ILE 112 -32.884   9.514  -1.058
  313    HA   ILE 112           HA       ILE 112 -35.333   8.829   0.357
  314    HB   ILE 112           HB       ILE 112 -33.410   9.785   1.505
  315   HG12  ILE 112          HG12      ILE 112 -34.472  11.420   2.918
  316   HG13  ILE 112          HG13      ILE 112 -35.736  11.730   1.738
  317   HG21  ILE 112          HG21      ILE 112 -32.742  12.112   1.347
  318   HG22  ILE 112          HG22      ILE 112 -32.520  11.313  -0.207
  319   HG23  ILE 112          HG23      ILE 112 -33.899  12.404   0.042
  320   HD11  ILE 112          HD11      ILE 112 -36.645   9.470   2.055
  321   HD12  ILE 112          HD12      ILE 112 -35.275   9.047   3.115
  322   HD13  ILE 112          HD13      ILE 112 -36.459  10.267   3.625
  323    H    LEU 113           H        LEU 113 -36.034   8.664  -1.930
  324    HA   LEU 113           HA       LEU 113 -37.168  10.960  -3.285
  325    HB2  LEU 113           HB2      LEU 113 -36.496   8.807  -4.354
  326    HB3  LEU 113           HB3      LEU 113 -37.784   7.978  -3.482
  327    HG   LEU 113           HG       LEU 113 -39.485   9.268  -4.745
  328   HD11  LEU 113          HD11      LEU 113 -38.790  10.604  -6.722
  329   HD12  LEU 113          HD12      LEU 113 -38.249  11.349  -5.219
  330   HD13  LEU 113          HD13      LEU 113 -37.088  10.450  -6.225
  331   HD21  LEU 113          HD21      LEU 113 -38.674   7.110  -5.605
  332   HD22  LEU 113          HD22      LEU 113 -39.107   8.214  -6.924
  333   HD23  LEU 113          HD23      LEU 113 -37.396   7.950  -6.520
  334    H    GLU 114           H        GLU 114 -38.261   9.014  -0.637
  335    HA   GLU 114           HA       GLU 114 -41.086   9.195  -0.745
  336    HB2  GLU 114           HB2      GLU 114 -39.336   9.116   1.711
  337    HB3  GLU 114           HB3      GLU 114 -41.075   8.793   1.602
  338    HG2  GLU 114           HG2      GLU 114 -40.608   6.886   0.064
  339    HG3  GLU 114           HG3      GLU 114 -38.875   7.153   0.268
  Start of MODEL   10
    1    H1   MET  71           H1       MET  71  -8.739   3.556  10.911
    2    H2   MET  71           H2       MET  71  -7.234   2.942  10.659
    3    H3   MET  71           H3       MET  71  -7.419   4.483  11.163
    4    HA   MET  71           HA       MET  71  -6.849   4.446   8.812
    5    HB2  MET  71           HB2      MET  71  -9.453   2.858   8.568
    6    HB3  MET  71           HB3      MET  71  -8.634   3.632   7.210
    7    HG2  MET  71           HG2      MET  71  -7.487   1.407   8.928
    8    HG3  MET  71           HG3      MET  71  -8.115   1.269   7.293
    9    HE1  MET  71           HE1      MET  71  -5.302   0.121   8.168
   10    HE2  MET  71           HE2      MET  71  -5.946  -0.006   6.514
   11    HE3  MET  71           HE3      MET  71  -4.298   0.597   6.780
   12    H    SER  72           H        SER  72  -7.384   6.252   7.623
   13    HA   SER  72           HA       SER  72  -9.661   7.929   8.640
   14    HB2  SER  72           HB2      SER  72  -6.809   8.829   8.110
   15    HB3  SER  72           HB3      SER  72  -8.138   9.815   8.752
   16    HG   SER  72           HG       SER  72  -6.759   9.047  10.424
   17    H    THR  73           H        THR  73  -8.987   6.432   5.917
   18    HA   THR  73           HA       THR  73 -10.147   8.544   4.241
   19    HB   THR  73           HB       THR  73  -7.904   8.987   3.959
   20    HG1  THR  73           HG1      THR  73  -7.904   8.953   1.728
   21   HG21  THR  73          HG21      THR  73  -6.818   6.778   4.330
   22   HG22  THR  73          HG22      THR  73  -7.550   6.165   2.831
   23   HG23  THR  73          HG23      THR  73  -6.336   7.459   2.773
   24    H    VAL  74           H        VAL  74 -10.850   7.643   2.095
   25    HA   VAL  74           HA       VAL  74 -11.445   4.744   2.026
   26    HB   VAL  74           HB       VAL  74 -13.860   5.198   1.543
   27   HG11  VAL  74          HG11      VAL  74 -14.579   5.347   3.839
   28   HG12  VAL  74          HG12      VAL  74 -13.099   4.381   3.755
   29   HG13  VAL  74          HG13      VAL  74 -13.034   6.060   4.334
   30   HG21  VAL  74          HG21      VAL  74 -13.759   7.622   1.019
   31   HG22  VAL  74          HG22      VAL  74 -14.923   7.256   2.295
   32   HG23  VAL  74          HG23      VAL  74 -13.355   7.966   2.720
   33    HA   PRO  75           HA       PRO  75 -11.097   5.468  -2.397
   34    HB2  PRO  75           HB2      PRO  75 -12.549   3.428  -3.467
   35    HB3  PRO  75           HB3      PRO  75 -10.969   3.179  -2.662
   36    HG2  PRO  75           HG2      PRO  75 -13.733   2.854  -1.452
   37    HG3  PRO  75           HG3      PRO  75 -12.359   1.703  -1.396
   38    HD2  PRO  75           HD2      PRO  75 -12.879   3.401   0.655
   39    HD3  PRO  75           HD3      PRO  75 -11.200   3.034   0.176
   40    H    LYS  76           H        LYS  76 -12.283   6.045  -4.222
   41    HA   LYS  76           HA       LYS  76 -15.097   7.071  -3.806
   42    HB2  LYS  76           HB2      LYS  76 -12.860   8.203  -5.489
   43    HB3  LYS  76           HB3      LYS  76 -14.579   8.614  -5.640
   44    HG2  LYS  76           HG2      LYS  76 -14.604   9.393  -3.288
   45    HG3  LYS  76           HG3      LYS  76 -12.887   9.000  -3.145
   46    HD2  LYS  76           HD2      LYS  76 -13.123  11.378  -3.531
   47    HD3  LYS  76           HD3      LYS  76 -12.360  10.644  -4.945
   48    HE2  LYS  76           HE2      LYS  76 -14.503  10.688  -6.171
   49    HE3  LYS  76           HE3      LYS  76 -15.326  11.328  -4.739
   50    HZ1  LYS  76           HZ1      LYS  76 -13.932  13.333  -4.926
   51    HZ2  LYS  76           HZ2      LYS  76 -13.179  12.739  -6.252
   52    HZ3  LYS  76           HZ3      LYS  76 -14.769  13.099  -6.303
   53    H    TYR  77           H        TYR  77 -13.022   5.065  -5.818
   54    HA   TYR  77           HA       TYR  77 -15.388   4.369  -7.496
   55    HB2  TYR  77           HB2      TYR  77 -12.619   4.860  -8.620
   56    HB3  TYR  77           HB3      TYR  77 -14.121   4.657  -9.501
   57    HD1  TYR  77           HD2      TYR  77 -12.005   6.954  -7.548
   58    HD2  TYR  77           HD1      TYR  77 -15.675   6.584  -9.776
   59    HE1  TYR  77           HE2      TYR  77 -12.186   9.434  -7.661
   60    HE2  TYR  77           HE1      TYR  77 -15.818   9.072  -9.930
   61    HH   TYR  77           HH       TYR  77 -14.869  11.095  -9.349
   62    H    ARG  78           H        ARG  78 -15.453   2.272  -8.229
   63    HA   ARG  78           HA       ARG  78 -13.127   0.454  -7.949
   64    HB2  ARG  78           HB2      ARG  78 -14.440   0.205  -5.859
   65    HB3  ARG  78           HB3      ARG  78 -15.893  -0.117  -6.806
   66    HG2  ARG  78           HG2      ARG  78 -14.847  -2.181  -7.727
   67    HG3  ARG  78           HG3      ARG  78 -13.351  -1.818  -6.861
   68    HD2  ARG  78           HD2      ARG  78 -14.546  -3.478  -5.591
   69    HD3  ARG  78           HD3      ARG  78 -14.611  -1.968  -4.700
   70    HE   ARG  78           HE       ARG  78 -16.918  -1.783  -5.089
   71   HH11  ARG  78          HH11      ARG  78 -15.756  -4.584  -6.870
   72   HH12  ARG  78          HH12      ARG  78 -17.370  -5.144  -7.206
   73   HH21  ARG  78          HH21      ARG  78 -18.947  -2.555  -5.592
   74   HH22  ARG  78          HH22      ARG  78 -19.117  -4.024  -6.493
   75    H    ASP  79           H        ASP  79 -12.827  -0.314  -9.921
   76    HA   ASP  79           HA       ASP  79 -14.667  -0.211 -12.106
   77    HB2  ASP  79           HB2      ASP  79 -12.257  -0.116 -12.371
   78    HB3  ASP  79           HB3      ASP  79 -12.080  -1.729 -11.703
   79    HA   PRO  80           HA       PRO  80 -16.821  -4.060 -10.737
   80    HB2  PRO  80           HB2      PRO  80 -18.290  -3.666 -13.324
   81    HB3  PRO  80           HB3      PRO  80 -18.926  -4.023 -11.689
   82    HG2  PRO  80           HG2      PRO  80 -19.109  -1.525 -12.738
   83    HG3  PRO  80           HG3      PRO  80 -18.672  -1.755 -11.008
   84    HD2  PRO  80           HD2      PRO  80 -16.827  -1.257 -13.361
   85    HD3  PRO  80           HD3      PRO  80 -16.850  -0.460 -11.768
   86    H    ALA  81           H        ALA  81 -15.317  -3.460 -13.883
   87    HA   ALA  81           HA       ALA  81 -15.512  -6.158 -14.873
   88    HB1  ALA  81           HB1      ALA  81 -15.455  -4.140 -16.295
   89    HB2  ALA  81           HB2      ALA  81 -13.800  -3.798 -15.754
   90    HB3  ALA  81           HB3      ALA  81 -14.145  -5.264 -16.704
   91    H    THR  82           H        THR  82 -13.198  -4.647 -12.727
   92    HA   THR  82           HA       THR  82 -11.375  -7.043 -12.931
   93    HB   THR  82           HB       THR  82  -9.469  -5.717 -12.746
   94    HG1  THR  82           HG1      THR  82 -11.024  -3.432 -13.351
   95   HG21  THR  82          HG21      THR  82  -9.326  -4.947 -15.016
   96   HG22  THR  82          HG22      THR  82 -10.336  -6.414 -14.933
   97   HG23  THR  82          HG23      THR  82 -11.096  -4.821 -15.145
   98    H    GLY  83           H        GLY  83 -12.822  -4.602 -10.823
   99    HA2  GLY  83           HA2      GLY  83 -12.918  -4.615  -8.493
  100    HA3  GLY  83           HA3      GLY  83 -11.670  -5.858  -8.409
  101    H    LYS  84           H        LYS  84 -10.491  -3.497 -10.501
  102    HA   LYS  84           HA       LYS  84  -8.550  -2.347  -8.708
  103    HB2  LYS  84           HB2      LYS  84  -9.580  -1.537 -11.461
  104    HB3  LYS  84           HB3      LYS  84  -8.297  -0.661 -10.602
  105    HG2  LYS  84           HG2      LYS  84  -6.934  -2.682 -10.439
  106    HG3  LYS  84           HG3      LYS  84  -8.182  -3.639 -11.239
  107    HD2  LYS  84           HD2      LYS  84  -7.985  -2.214 -13.278
  108    HD3  LYS  84           HD3      LYS  84  -6.675  -1.301 -12.495
  109    HE2  LYS  84           HE2      LYS  84  -5.365  -3.413 -12.265
  110    HE3  LYS  84           HE3      LYS  84  -6.669  -4.302 -13.063
  111    HZ1  LYS  84           HZ1      LYS  84  -4.904  -3.720 -14.637
  112    HZ2  LYS  84           HZ2      LYS  84  -6.272  -2.940 -15.067
  113    HZ3  LYS  84           HZ3      LYS  84  -5.059  -2.127 -14.328
  114    H    THR  85           H        THR  85  -8.413  -0.307  -7.780
  115    HA   THR  85           HA       THR  85 -10.960   1.233  -7.468
  116    HB   THR  85           HB       THR  85 -10.311   1.544  -5.043
  117    HG1  THR  85           HG1      THR  85  -8.884   0.009  -4.179
  118   HG21  THR  85          HG21      THR  85 -12.087  -0.012  -5.677
  119   HG22  THR  85          HG22      THR  85 -10.898  -1.322  -5.879
  120   HG23  THR  85          HG23      THR  85 -11.188  -0.608  -4.278
  121    H    TRP  86           H        TRP  86 -10.802   3.381  -6.664
  122    HA   TRP  86           HA       TRP  86  -8.192   4.705  -6.551
  123    HB2  TRP  86           HB2      TRP  86  -8.679   4.618  -8.978
  124    HB3  TRP  86           HB3      TRP  86 -10.213   5.427  -8.712
  125    HD1  TRP  86           HD1      TRP  86  -6.533   6.233  -7.711
  126    HE1  TRP  86           HE1      TRP  86  -6.049   8.694  -8.226
  127    HE3  TRP  86           HE3      TRP  86 -10.996   7.500  -9.879
  128    HZ2  TRP  86           HZ2      TRP  86  -7.479  10.975  -9.281
  129    HZ3  TRP  86           HZ3      TRP  86 -11.451   9.853 -10.525
  130    HH2  TRP  86           HH2      TRP  86  -9.752  11.599 -10.157
  131    H    SER  87           H        SER  87  -8.384   6.979  -5.854
  132    HA   SER  87           HA       SER  87 -10.878   7.554  -4.278
  133    HB2  SER  87           HB2      SER  87  -9.397   7.929  -2.332
  134    HB3  SER  87           HB3      SER  87  -9.173   6.288  -2.976
  135    HG   SER  87           HG       SER  87  -7.152   7.327  -2.593
  136    H    GLY  88           H        GLY  88  -8.890   8.956  -6.542
  137    HA2  GLY  88           HA2      GLY  88  -9.263  11.265  -7.174
  138    HA3  GLY  88           HA3      GLY  88  -9.373  11.717  -5.483
  139    H    ARG  89           H        ARG  89  -6.878   9.880  -5.024
  140    HA   ARG  89           HA       ARG  89  -4.857  11.949  -5.209
  141    HB2  ARG  89           HB2      ARG  89  -4.986  10.234  -3.412
  142    HB3  ARG  89           HB3      ARG  89  -4.611   8.967  -4.587
  143    HG2  ARG  89           HG2      ARG  89  -2.404   9.980  -5.019
  144    HG3  ARG  89           HG3      ARG  89  -2.768  11.325  -3.926
  145    HD2  ARG  89           HD2      ARG  89  -2.672   8.395  -3.094
  146    HD3  ARG  89           HD3      ARG  89  -1.301   9.511  -2.976
  147    HE   ARG  89           HE       ARG  89  -3.455  10.745  -1.641
  148   HH11  ARG  89          HH21      ARG  89  -1.454   7.912  -1.151
  149   HH12  ARG  89          HH22      ARG  89  -1.630   7.972   0.581
  150   HH21  ARG  89          HH11      ARG  89  -3.648  10.763   0.573
  151   HH22  ARG  89          HH12      ARG  89  -2.843   9.554   1.531
  152    H    GLY  90           H        GLY  90  -3.301  12.317  -6.713
  153    HA2  GLY  90           HA2      GLY  90  -2.009  12.125  -8.629
  154    HA3  GLY  90           HA3      GLY  90  -2.282  10.388  -8.590
  155    H    ARG  91           H        ARG  91  -2.236  10.696 -10.953
  156    HA   ARG  91           HA       ARG  91  -4.334  12.053 -12.425
  157    HB2  ARG  91           HB2      ARG  91  -2.569   9.755 -13.299
  158    HB3  ARG  91           HB3      ARG  91  -3.601  10.786 -14.315
  159    HG2  ARG  91           HG2      ARG  91  -2.285  12.782 -13.685
  160    HG3  ARG  91           HG3      ARG  91  -1.209  11.767 -12.701
  161    HD2  ARG  91           HD2      ARG  91  -0.595  10.465 -14.723
  162    HD3  ARG  91           HD3      ARG  91  -1.660  11.499 -15.700
  163    HE   ARG  91           HE       ARG  91   0.161  13.168 -14.286
  164   HH11  ARG  91          HH11      ARG  91   0.312  10.853 -16.914
  165   HH12  ARG  91          HH12      ARG  91   1.702  11.619 -17.632
  166   HH21  ARG  91          HH21      ARG  91   1.935  14.095 -15.252
  167   HH22  ARG  91          HH22      ARG  91   2.604  13.402 -16.699
  168    H    GLN  92           H        GLN  92  -6.146  11.279 -13.435
  169    HA   GLN  92           HA       GLN  92  -7.777   9.333 -12.152
  170    HB2  GLN  92           HB2      GLN  92  -8.523  11.289 -13.556
  171    HB3  GLN  92           HB3      GLN  92  -7.960  10.417 -14.984
  172    HG2  GLN  92           HG2      GLN  92  -9.627   8.521 -13.978
  173    HG3  GLN  92           HG3      GLN  92 -10.359   9.939 -13.241
  174   HE21  GLN  92          HE22      GLN  92  -9.728   8.189 -16.241
  175   HE22  GLN  92          HE21      GLN  92 -10.667   9.262 -17.280
  176    HA   PRO  93           HA       PRO  93  -6.280   5.499 -14.193
  177    HB2  PRO  93           HB2      PRO  93  -9.070   4.570 -13.593
  178    HB3  PRO  93           HB3      PRO  93  -7.493   3.776 -13.274
  179    HG2  PRO  93           HG2      PRO  93  -8.935   4.980 -11.288
  180    HG3  PRO  93           HG3      PRO  93  -7.141   5.049 -11.325
  181    HD2  PRO  93           HD2      PRO  93  -9.125   7.168 -12.136
  182    HD3  PRO  93           HD3      PRO  93  -7.546   7.327 -11.304
  183    H    ALA  94           H        ALA  94  -6.654   4.413 -16.184
  184    HA   ALA  94           HA       ALA  94  -8.002   5.902 -18.229
  185    HB1  ALA  94           HB1      ALA  94  -5.972   4.545 -18.596
  186    HB2  ALA  94           HB2      ALA  94  -6.885   3.056 -18.249
  187    HB3  ALA  94           HB3      ALA  94  -7.282   4.033 -19.676
  188    H    TRP  95           H        TRP  95  -8.970   2.932 -16.452
  189    HA   TRP  95           HA       TRP  95 -11.239   2.261 -18.030
  190    HB2  TRP  95           HB2      TRP  95 -12.025   1.094 -15.909
  191    HB3  TRP  95           HB3      TRP  95 -10.495   0.594 -16.602
  192    HD1  TRP  95           HD1      TRP  95  -8.357   0.840 -15.171
  193    HE1  TRP  95           HE1      TRP  95  -7.942   1.233 -12.672
  194    HE3  TRP  95           HE3      TRP  95 -13.044   2.471 -13.800
  195    HZ2  TRP  95           HZ2      TRP  95  -9.429   2.108 -10.377
  196    HZ3  TRP  95           HZ3      TRP  95 -13.489   3.049 -11.442
  197    HH2  TRP  95           HH2      TRP  95 -11.723   2.869  -9.739
  198    H    LEU  96           H        LEU  96 -10.932   4.712 -15.526
  199    HA   LEU  96           HA       LEU  96 -13.706   5.049 -15.001
  200    HB2  LEU  96           HB2      LEU  96 -11.497   5.899 -13.768
  201    HB3  LEU  96           HB3      LEU  96 -11.722   7.310 -14.798
  202    HG   LEU  96           HG       LEU  96 -14.198   7.295 -13.844
  203   HD11  LEU  96          HD11      LEU  96 -14.474   6.269 -11.717
  204   HD12  LEU  96          HD12      LEU  96 -13.838   5.010 -12.780
  205   HD13  LEU  96          HD13      LEU  96 -12.759   5.806 -11.618
  206   HD21  LEU  96          HD21      LEU  96 -13.448   8.548 -11.825
  207   HD22  LEU  96          HD22      LEU  96 -11.784   8.018 -12.146
  208   HD23  LEU  96          HD23      LEU  96 -12.638   9.065 -13.305
  209    H    GLY  97           H        GLY  97 -11.920   5.995 -17.781
  210    HA2  GLY  97           HA2      GLY  97 -12.689   8.529 -18.479
  211    HA3  GLY  97           HA3      GLY  97 -12.354   7.232 -19.634
  212    H    ASN  98           H        ASN  98 -14.556   5.600 -19.291
  213    HA   ASN  98           HA       ASN  98 -16.227   6.755 -21.225
  214    HB2  ASN  98           HB2      ASN  98 -15.901   4.334 -20.937
  215    HB3  ASN  98           HB3      ASN  98 -16.769   4.368 -19.404
  216   HD21  ASN  98          HD22      ASN  98 -18.812   3.499 -19.684
  217   HD22  ASN  98          HD21      ASN  98 -19.807   3.774 -21.103
  218    H    ASP  99           H        ASP  99 -17.131   6.177 -17.791
  219    HA   ASP  99           HA       ASP  99 -18.832   8.513 -17.592
  220    HB2  ASP  99           HB2      ASP  99 -20.360   7.206 -18.972
  221    HB3  ASP  99           HB3      ASP  99 -20.167   5.803 -17.922
  222    HA   PRO 100           HA       PRO 100 -16.848   7.146 -13.638
  223    HB2  PRO 100           HB2      PRO 100 -18.225   9.686 -12.829
  224    HB3  PRO 100           HB3      PRO 100 -16.634   9.016 -12.328
  225    HG2  PRO 100           HG2      PRO 100 -16.748  10.906 -14.269
  226    HG3  PRO 100           HG3      PRO 100 -15.671   9.490 -14.458
  227    HD2  PRO 100           HD2      PRO 100 -18.365   9.981 -15.714
  228    HD3  PRO 100           HD3      PRO 100 -16.901   9.238 -16.419
  229    H    ALA 101           H        ALA 101 -20.319   7.977 -13.927
  230    HA   ALA 101           HA       ALA 101 -21.190   6.966 -11.444
  231    HB1  ALA 101           HB1      ALA 101 -22.542   8.378 -12.945
  232    HB2  ALA 101           HB2      ALA 101 -22.648   7.039 -14.112
  233    HB3  ALA 101           HB3      ALA 101 -23.398   6.886 -12.514
  234    H    ALA 102           H        ALA 102 -20.132   5.122 -14.253
  235    HA   ALA 102           HA       ALA 102 -21.483   2.659 -13.632
  236    HB1  ALA 102           HB1      ALA 102 -19.888   1.720 -15.259
  237    HB2  ALA 102           HB2      ALA 102 -20.574   3.243 -15.857
  238    HB3  ALA 102           HB3      ALA 102 -18.926   3.214 -15.196
  239    H    PHE 103           H        PHE 103 -18.630   4.136 -12.251
  240    HA   PHE 103           HA       PHE 103 -18.019   1.655 -10.690
  241    HB2  PHE 103           HB2      PHE 103 -15.652   3.232 -11.091
  242    HB3  PHE 103           HB3      PHE 103 -15.957   1.562 -11.509
  243    HD1  PHE 103           HD1      PHE 103 -16.442   5.048 -12.720
  244    HD2  PHE 103           HD2      PHE 103 -16.001   0.902 -13.811
  245    HE1  PHE 103           HE1      PHE 103 -16.421   5.677 -15.103
  246    HE2  PHE 103           HE2      PHE 103 -15.922   1.543 -16.202
  247    HZ   PHE 103           HZ       PHE 103 -16.131   3.928 -16.862
  248    H    LEU 104           H        LEU 104 -18.734   4.998 -10.464
  249    HA   LEU 104           HA       LEU 104 -17.425   5.846  -8.145
  250    HB2  LEU 104           HB2      LEU 104 -19.811   6.525  -9.715
  251    HB3  LEU 104           HB3      LEU 104 -20.024   6.902  -8.009
  252    HG   LEU 104           HG       LEU 104 -17.698   7.836  -9.700
  253   HD11  LEU 104          HD11      LEU 104 -18.809  10.039  -9.693
  254   HD12  LEU 104          HD12      LEU 104 -19.837   8.819 -10.454
  255   HD13  LEU 104          HD13      LEU 104 -20.181   9.353  -8.794
  256   HD21  LEU 104          HD21      LEU 104 -18.594   8.606  -6.877
  257   HD22  LEU 104          HD22      LEU 104 -17.041   7.883  -7.355
  258   HD23  LEU 104          HD23      LEU 104 -17.410   9.525  -7.829
  259    H    ILE 105           H        ILE 105 -17.852   5.862  -5.989
  260    HA   ILE 105           HA       ILE 105 -19.732   3.803  -4.874
  261    HB   ILE 105           HB       ILE 105 -17.158   4.843  -3.631
  262   HG12  ILE 105          HG12      ILE 105 -17.551   2.108  -4.926
  263   HG13  ILE 105          HG13      ILE 105 -16.728   3.452  -5.719
  264   HG21  ILE 105          HG21      ILE 105 -17.551   2.934  -2.069
  265   HG22  ILE 105          HG22      ILE 105 -18.895   4.056  -2.030
  266   HG23  ILE 105          HG23      ILE 105 -19.053   2.545  -2.944
  267   HD11  ILE 105          HD11      ILE 105 -15.832   2.037  -3.190
  268   HD12  ILE 105          HD12      ILE 105 -14.996   2.166  -4.742
  269   HD13  ILE 105          HD13      ILE 105 -15.182   3.605  -3.724
  270    H    GLN 106           H        GLN 106 -21.376   4.592  -3.765
  271    HA   GLN 106           HA       GLN 106 -21.156   7.113  -2.216
  272    HB2  GLN 106           HB2      GLN 106 -23.353   6.480  -4.242
  273    HB3  GLN 106           HB3      GLN 106 -23.429   7.791  -3.063
  274    HG2  GLN 106           HG2      GLN 106 -21.358   8.782  -4.058
  275    HG3  GLN 106           HG3      GLN 106 -21.396   7.549  -5.324
  276   HE21  GLN 106          HE22      GLN 106 -22.195  10.733  -4.828
  277   HE22  GLN 106          HE21      GLN 106 -23.542  10.839  -5.953
  278    HA   PRO 107           HA       PRO 107 -23.166   4.902   0.994
  279    HB2  PRO 107           HB2      PRO 107 -25.087   7.222   1.261
  280    HB3  PRO 107           HB3      PRO 107 -24.186   6.362   2.551
  281    HG2  PRO 107           HG2      PRO 107 -23.263   8.726   1.640
  282    HG3  PRO 107           HG3      PRO 107 -22.120   7.358   1.861
  283    HD2  PRO 107           HD2      PRO 107 -23.410   8.328  -0.698
  284    HD3  PRO 107           HD3      PRO 107 -21.707   7.884  -0.377
  285    H    ASP 108           H        ASP 108 -25.209   5.787  -1.616
  286    HA   ASP 108           HA       ASP 108 -27.610   4.536  -1.082
  287    HB2  ASP 108           HB2      ASP 108 -27.080   5.924  -3.051
  288    HB3  ASP 108           HB3      ASP 108 -26.072   4.627  -3.694
  289    H    LEU 109           H        LEU 109 -24.518   3.009  -1.660
  290    HA   LEU 109           HA       LEU 109 -25.668   0.420  -1.004
  291    HB2  LEU 109           HB2      LEU 109 -25.543   0.430  -3.407
  292    HB3  LEU 109           HB3      LEU 109 -23.850   0.904  -3.378
  293    HG   LEU 109           HG       LEU 109 -24.617  -1.632  -1.920
  294   HD11  LEU 109          HD11      LEU 109 -25.879  -1.843  -4.016
  295   HD12  LEU 109          HD12      LEU 109 -24.427  -1.443  -4.958
  296   HD13  LEU 109          HD13      LEU 109 -24.494  -2.947  -4.008
  297   HD21  LEU 109          HD21      LEU 109 -22.469  -2.429  -2.797
  298   HD22  LEU 109          HD22      LEU 109 -22.285  -0.962  -3.782
  299   HD23  LEU 109          HD23      LEU 109 -22.230  -0.873  -2.012
  300    HA   PRO 110           HA       PRO 110 -22.393   0.882   2.083
  301    HB2  PRO 110           HB2      PRO 110 -22.675  -2.108   2.161
  302    HB3  PRO 110           HB3      PRO 110 -22.521  -0.913   3.495
  303    HG2  PRO 110           HG2      PRO 110 -24.950  -1.924   2.814
  304    HG3  PRO 110           HG3      PRO 110 -24.757  -0.187   3.215
  305    HD2  PRO 110           HD2      PRO 110 -24.967  -1.473   0.491
  306    HD3  PRO 110           HD3      PRO 110 -25.696   0.042   1.090
  307    H    ALA 111           H        ALA 111 -20.392   1.381   1.421
  308    HA   ALA 111           HA       ALA 111 -19.062   0.549  -0.827
  309    HB1  ALA 111           HB1      ALA 111 -17.059   1.581   0.193
  310    HB2  ALA 111           HB2      ALA 111 -18.519   2.555   0.456
  311    HB3  ALA 111           HB3      ALA 111 -17.857   1.568   1.782
  312    H    ILE 112           H        ILE 112 -18.576  -1.429  -1.442
  313    HA   ILE 112           HA       ILE 112 -18.465  -3.656  -1.296
  314    HB   ILE 112           HB       ILE 112 -16.409  -2.814  -2.102
  315   HG12  ILE 112          HG12      ILE 112 -15.612  -5.331  -0.644
  316   HG13  ILE 112          HG13      ILE 112 -17.039  -5.385  -1.693
  317   HG21  ILE 112          HG21      ILE 112 -14.328  -2.878  -0.783
  318   HG22  ILE 112          HG22      ILE 112 -15.490  -1.714  -0.125
  319   HG23  ILE 112          HG23      ILE 112 -15.263  -3.288   0.667
  320   HD11  ILE 112          HD11      ILE 112 -15.034  -6.062  -2.915
  321   HD12  ILE 112          HD12      ILE 112 -15.746  -4.583  -3.588
  322   HD13  ILE 112          HD13      ILE 112 -14.275  -4.483  -2.585
  323    H    LEU 113           H        LEU 113 -19.964  -3.170   0.535
  324    HA   LEU 113           HA       LEU 113 -19.523  -5.296   2.581
  325    HB2  LEU 113           HB2      LEU 113 -20.388  -2.421   3.011
  326    HB3  LEU 113           HB3      LEU 113 -20.853  -3.665   4.160
  327    HG   LEU 113           HG       LEU 113 -17.951  -3.034   3.463
  328   HD11  LEU 113          HD11      LEU 113 -19.056  -1.128   4.564
  329   HD12  LEU 113          HD12      LEU 113 -19.639  -2.199   5.860
  330   HD13  LEU 113          HD13      LEU 113 -17.900  -1.905   5.650
  331   HD21  LEU 113          HD21      LEU 113 -18.228  -5.313   4.340
  332   HD22  LEU 113          HD22      LEU 113 -17.479  -4.281   5.556
  333   HD23  LEU 113          HD23      LEU 113 -19.201  -4.698   5.697
  334    H    GLU 114           H        GLU 114 -21.299  -4.551  -0.004
  335    HA   GLU 114           HA       GLU 114 -23.594  -6.186   0.860
  336    HB2  GLU 114           HB2      GLU 114 -24.367  -3.969   1.235
  337    HB3  GLU 114           HB3      GLU 114 -23.943  -3.471  -0.416
  338    HG2  GLU 114           HG2      GLU 114 -25.619  -5.025  -1.329
  339    HG3  GLU 114           HG3      GLU 114 -25.937  -5.678   0.278
  Start of MODEL   11
    1    H1   MET  71           H1       MET  71  -9.923   8.388  13.968
    2    H2   MET  71           H2       MET  71 -10.074   6.872  13.382
    3    H3   MET  71           H3       MET  71  -8.632   7.628  13.296
    4    HA   MET  71           HA       MET  71 -11.084   8.438  11.851
    5    HB2  MET  71           HB2      MET  71  -8.262   9.613  11.713
    6    HB3  MET  71           HB3      MET  71  -9.548   9.954  10.555
    7    HG2  MET  71           HG2      MET  71 -10.959  10.883  12.360
    8    HG3  MET  71           HG3      MET  71  -9.652  10.611  13.522
    9    HE1  MET  71           HE1      MET  71  -9.733  14.516  13.181
   10    HE2  MET  71           HE2      MET  71 -11.124  13.408  13.118
   11    HE3  MET  71           HE3      MET  71  -9.817  13.131  14.292
   12    H    SER  72           H        SER  72 -11.224   7.883   9.647
   13    HA   SER  72           HA       SER  72  -9.167   6.172   8.395
   14    HB2  SER  72           HB2      SER  72 -10.767   4.340   7.977
   15    HB3  SER  72           HB3      SER  72 -10.450   4.565   9.704
   16    HG   SER  72           HG       SER  72 -12.697   4.303   9.269
   17    H    THR  73           H        THR  73  -9.879   5.503   6.161
   18    HA   THR  73           HA       THR  73 -11.647   7.470   4.750
   19    HB   THR  73           HB       THR  73 -10.093   7.897   3.109
   20    HG1  THR  73           HG1      THR  73  -7.922   7.194   3.260
   21   HG21  THR  73          HG21      THR  73  -8.678   8.440   5.740
   22   HG22  THR  73          HG22      THR  73  -8.489   9.327   4.216
   23   HG23  THR  73          HG23      THR  73 -10.031   9.396   5.085
   24    H    VAL  74           H        VAL  74 -12.039   6.848   2.463
   25    HA   VAL  74           HA       VAL  74 -11.725   3.995   1.815
   26    HB   VAL  74           HB       VAL  74 -13.751   4.028   3.052
   27   HG11  VAL  74          HG11      VAL  74 -15.782   5.235   2.402
   28   HG12  VAL  74          HG12      VAL  74 -14.488   6.384   2.735
   29   HG13  VAL  74          HG13      VAL  74 -14.924   6.007   1.055
   30   HG21  VAL  74          HG21      VAL  74 -15.364   3.047   1.530
   31   HG22  VAL  74          HG22      VAL  74 -14.443   3.624   0.138
   32   HG23  VAL  74          HG23      VAL  74 -13.736   2.432   1.267
   33    HA   PRO  75           HA       PRO  75 -11.191   5.602  -2.388
   34    HB2  PRO  75           HB2      PRO  75 -12.548   3.033  -3.136
   35    HB3  PRO  75           HB3      PRO  75 -11.066   3.777  -3.807
   36    HG2  PRO  75           HG2      PRO  75 -10.897   1.709  -2.072
   37    HG3  PRO  75           HG3      PRO  75  -9.778   3.103  -1.926
   38    HD2  PRO  75           HD2      PRO  75 -12.279   2.529  -0.321
   39    HD3  PRO  75           HD3      PRO  75 -10.689   3.117   0.234
   40    H    LYS  76           H        LYS  76 -12.370   6.067  -4.301
   41    HA   LYS  76           HA       LYS  76 -15.229   6.844  -3.808
   42    HB2  LYS  76           HB2      LYS  76 -13.679   8.662  -3.984
   43    HB3  LYS  76           HB3      LYS  76 -13.175   8.172  -5.610
   44    HG2  LYS  76           HG2      LYS  76 -15.397   8.618  -6.486
   45    HG3  LYS  76           HG3      LYS  76 -16.046   8.889  -4.860
   46    HD2  LYS  76           HD2      LYS  76 -14.686  10.876  -4.564
   47    HD3  LYS  76           HD3      LYS  76 -13.837  10.595  -6.097
   48    HE2  LYS  76           HE2      LYS  76 -15.895  10.927  -7.373
   49    HE3  LYS  76           HE3      LYS  76 -16.851  11.036  -5.883
   50    HZ1  LYS  76           HZ1      LYS  76 -15.642  13.083  -5.324
   51    HZ2  LYS  76           HZ2      LYS  76 -14.749  12.995  -6.697
   52    HZ3  LYS  76           HZ3      LYS  76 -16.358  13.242  -6.782
   53    H    TYR  77           H        TYR  77 -13.160   5.003  -5.953
   54    HA   TYR  77           HA       TYR  77 -15.517   4.196  -7.614
   55    HB2  TYR  77           HB2      TYR  77 -12.755   4.862  -8.690
   56    HB3  TYR  77           HB3      TYR  77 -14.204   4.520  -9.615
   57    HD1  TYR  77           HD2      TYR  77 -12.316   7.039  -7.708
   58    HD2  TYR  77           HD1      TYR  77 -15.930   6.295  -9.927
   59    HE1  TYR  77           HE2      TYR  77 -12.626   9.482  -8.032
   60    HE2  TYR  77           HE1      TYR  77 -16.167   8.727 -10.358
   61    HH   TYR  77           HH       TYR  77 -13.829  11.143  -9.109
   62    H    ARG  78           H        ARG  78 -15.443   2.041  -8.361
   63    HA   ARG  78           HA       ARG  78 -12.896   0.568  -8.163
   64    HB2  ARG  78           HB2      ARG  78 -14.076   0.185  -5.998
   65    HB3  ARG  78           HB3      ARG  78 -15.416  -0.565  -6.878
   66    HG2  ARG  78           HG2      ARG  78 -13.904  -2.320  -7.744
   67    HG3  ARG  78           HG3      ARG  78 -12.510  -1.471  -7.073
   68    HD2  ARG  78           HD2      ARG  78 -13.597  -1.799  -4.764
   69    HD3  ARG  78           HD3      ARG  78 -14.685  -2.947  -5.580
   70    HE   ARG  78           HE       ARG  78 -11.854  -3.415  -6.162
   71   HH11  ARG  78          HH11      ARG  78 -14.260  -4.123  -3.702
   72   HH12  ARG  78          HH12      ARG  78 -13.361  -5.490  -3.099
   73   HH21  ARG  78          HH21      ARG  78 -10.767  -5.122  -5.348
   74   HH22  ARG  78          HH22      ARG  78 -11.424  -6.045  -4.022
   75    H    ASP  79           H        ASP  79 -12.524  -0.232 -10.044
   76    HA   ASP  79           HA       ASP  79 -14.252  -0.475 -12.258
   77    HB2  ASP  79           HB2      ASP  79 -11.901  -0.311 -12.558
   78    HB3  ASP  79           HB3      ASP  79 -11.588  -1.706 -11.532
   79    HA   PRO  80           HA       PRO  80 -16.179  -4.376 -10.821
   80    HB2  PRO  80           HB2      PRO  80 -18.064  -4.720 -12.778
   81    HB3  PRO  80           HB3      PRO  80 -18.213  -3.510 -11.467
   82    HG2  PRO  80           HG2      PRO  80 -17.183  -3.080 -14.293
   83    HG3  PRO  80           HG3      PRO  80 -18.415  -2.120 -13.402
   84    HD2  PRO  80           HD2      PRO  80 -15.824  -1.325 -13.517
   85    HD3  PRO  80           HD3      PRO  80 -16.772  -1.139 -12.011
   86    H    ALA  81           H        ALA  81 -14.579  -3.911 -13.933
   87    HA   ALA  81           HA       ALA  81 -14.870  -6.618 -14.879
   88    HB1  ALA  81           HB1      ALA  81 -12.895  -4.436 -15.671
   89    HB2  ALA  81           HB2      ALA  81 -13.299  -5.891 -16.605
   90    HB3  ALA  81           HB3      ALA  81 -14.532  -4.643 -16.332
   91    H    THR  82           H        THR  82 -12.234  -4.928 -13.148
   92    HA   THR  82           HA       THR  82 -10.847  -7.553 -12.666
   93    HB   THR  82           HB       THR  82  -8.771  -6.556 -12.932
   94    HG1  THR  82           HG1      THR  82 -10.235  -4.184 -13.504
   95   HG21  THR  82          HG21      THR  82  -8.740  -6.383 -15.314
   96   HG22  THR  82          HG22      THR  82  -9.996  -7.553 -14.835
   97   HG23  THR  82          HG23      THR  82 -10.452  -5.914 -15.369
   98    H    GLY  83           H        GLY  83 -12.173  -4.799 -11.067
   99    HA2  GLY  83           HA2      GLY  83 -12.466  -4.707  -8.771
  100    HA3  GLY  83           HA3      GLY  83 -11.117  -5.806  -8.508
  101    H    LYS  84           H        LYS  84 -10.045  -3.346 -10.551
  102    HA   LYS  84           HA       LYS  84  -8.227  -2.148  -8.686
  103    HB2  LYS  84           HB2      LYS  84  -9.224  -1.172 -11.394
  104    HB3  LYS  84           HB3      LYS  84  -7.878  -0.464 -10.488
  105    HG2  LYS  84           HG2      LYS  84  -6.765  -2.712 -10.469
  106    HG3  LYS  84           HG3      LYS  84  -8.039  -3.316 -11.539
  107    HD2  LYS  84           HD2      LYS  84  -7.418  -1.406 -13.162
  108    HD3  LYS  84           HD3      LYS  84  -6.029  -1.101 -12.113
  109    HE2  LYS  84           HE2      LYS  84  -5.100  -2.473 -13.745
  110    HE3  LYS  84           HE3      LYS  84  -5.450  -3.618 -12.454
  111    HZ1  LYS  84           HZ1      LYS  84  -7.581  -4.133 -13.697
  112    HZ2  LYS  84           HZ2      LYS  84  -7.081  -3.155 -14.908
  113    HZ3  LYS  84           HZ3      LYS  84  -6.226  -4.498 -14.561
  114    H    THR  85           H        THR  85  -8.175  -0.120  -7.696
  115    HA   THR  85           HA       THR  85 -10.797   1.305  -7.380
  116    HB   THR  85           HB       THR  85  -9.997   1.807  -5.038
  117    HG1  THR  85           HG1      THR  85  -8.398   0.406  -4.212
  118   HG21  THR  85          HG21      THR  85 -10.451  -1.128  -5.693
  119   HG22  THR  85          HG22      THR  85 -10.624  -0.372  -4.094
  120   HG23  THR  85          HG23      THR  85 -11.703   0.113  -5.408
  121    H    TRP  86           H        TRP  86 -10.802   3.502  -6.822
  122    HA   TRP  86           HA       TRP  86  -8.298   5.010  -6.725
  123    HB2  TRP  86           HB2      TRP  86  -8.740   4.867  -9.158
  124    HB3  TRP  86           HB3      TRP  86 -10.324   5.587  -8.920
  125    HD1  TRP  86           HD1      TRP  86  -6.711   6.600  -7.844
  126    HE1  TRP  86           HE1      TRP  86  -6.401   9.121  -8.241
  127    HE3  TRP  86           HE3      TRP  86 -11.215   7.642 -10.028
  128    HZ2  TRP  86           HZ2      TRP  86  -7.975  11.329  -9.210
  129    HZ3  TRP  86           HZ3      TRP  86 -11.829   9.984 -10.571
  130    HH2  TRP  86           HH2      TRP  86 -10.288  11.828 -10.065
  131    H    SER  87           H        SER  87  -8.707   7.325  -6.084
  132    HA   SER  87           HA       SER  87 -11.189   7.550  -4.408
  133    HB2  SER  87           HB2      SER  87  -9.704   8.222  -2.552
  134    HB3  SER  87           HB3      SER  87  -9.267   6.622  -3.171
  135    HG   SER  87           HG       SER  87  -7.408   7.955  -2.912
  136    H    GLY  88           H        GLY  88  -9.933   9.239  -6.887
  137    HA2  GLY  88           HA2      GLY  88 -10.607  11.403  -7.513
  138    HA3  GLY  88           HA3      GLY  88 -11.147  11.731  -5.880
  139    H    ARG  89           H        ARG  89  -7.876  10.570  -6.240
  140    HA   ARG  89           HA       ARG  89  -6.684  13.322  -6.066
  141    HB2  ARG  89           HB2      ARG  89  -6.022  10.870  -4.371
  142    HB3  ARG  89           HB3      ARG  89  -5.060  12.339  -4.398
  143    HG2  ARG  89           HG2      ARG  89  -7.959  12.206  -3.438
  144    HG3  ARG  89           HG3      ARG  89  -6.537  12.074  -2.414
  145    HD2  ARG  89           HD2      ARG  89  -7.222  14.289  -2.172
  146    HD3  ARG  89           HD3      ARG  89  -5.808  14.359  -3.232
  147    HE   ARG  89           HE       ARG  89  -8.301  14.194  -4.722
  148   HH11  ARG  89          HH11      ARG  89  -6.379  16.569  -3.006
  149   HH12  ARG  89          HH12      ARG  89  -7.000  17.889  -3.963
  150   HH21  ARG  89          HH21      ARG  89  -9.018  15.863  -5.909
  151   HH22  ARG  89          HH22      ARG  89  -8.494  17.492  -5.573
  152    H    GLY  90           H        GLY  90  -4.677  13.584  -6.996
  153    HA2  GLY  90           HA2      GLY  90  -3.029  13.220  -8.599
  154    HA3  GLY  90           HA3      GLY  90  -3.199  11.482  -8.354
  155    H    ARG  91           H        ARG  91  -2.845  11.558 -10.757
  156    HA   ARG  91           HA       ARG  91  -4.994  12.384 -12.563
  157    HB2  ARG  91           HB2      ARG  91  -2.774  10.366 -12.989
  158    HB3  ARG  91           HB3      ARG  91  -3.877  11.036 -14.209
  159    HG2  ARG  91           HG2      ARG  91  -3.018  13.315 -13.768
  160    HG3  ARG  91           HG3      ARG  91  -1.854  12.658 -12.609
  161    HD2  ARG  91           HD2      ARG  91  -2.002  11.967 -15.576
  162    HD3  ARG  91           HD3      ARG  91  -0.862  13.099 -14.861
  163    HE   ARG  91           HE       ARG  91  -0.766  10.172 -14.782
  164   HH11  ARG  91          HH12      ARG  91   0.566  13.052 -13.281
  165   HH12  ARG  91          HH11      ARG  91   1.941  12.188 -12.642
  166   HH21  ARG  91          HH21      ARG  91   1.009   9.145 -13.950
  167   HH22  ARG  91          HH22      ARG  91   2.185  10.032 -13.026
  168    H    GLN  92           H        GLN  92  -6.730  11.279 -13.298
  169    HA   GLN  92           HA       GLN  92  -7.783   9.025 -11.904
  170    HB2  GLN  92           HB2      GLN  92  -9.485   8.972 -13.656
  171    HB3  GLN  92           HB3      GLN  92  -9.233  10.600 -13.027
  172    HG2  GLN  92           HG2      GLN  92  -7.938  11.175 -15.084
  173    HG3  GLN  92           HG3      GLN  92  -8.119   9.517 -15.659
  174   HE21  GLN  92          HE22      GLN  92  -9.743   9.291 -17.188
  175   HE22  GLN  92          HE21      GLN  92 -11.168  10.314 -17.242
  176    HA   PRO  93           HA       PRO  93  -5.966   5.613 -14.230
  177    HB2  PRO  93           HB2      PRO  93  -7.694   3.594 -13.731
  178    HB3  PRO  93           HB3      PRO  93  -6.670   4.299 -12.448
  179    HG2  PRO  93           HG2      PRO  93  -9.573   4.949 -13.070
  180    HG3  PRO  93           HG3      PRO  93  -8.847   4.555 -11.481
  181    HD2  PRO  93           HD2      PRO  93  -9.244   7.131 -12.301
  182    HD3  PRO  93           HD3      PRO  93  -7.833   6.668 -11.307
  183    H    ALA  94           H        ALA  94  -6.349   4.273 -16.133
  184    HA   ALA  94           HA       ALA  94  -7.674   5.617 -18.208
  185    HB1  ALA  94           HB1      ALA  94  -6.762   2.710 -18.076
  186    HB2  ALA  94           HB2      ALA  94  -7.072   3.644 -19.558
  187    HB3  ALA  94           HB3      ALA  94  -5.743   4.114 -18.483
  188    H    TRP  95           H        TRP  95  -8.896   2.833 -16.295
  189    HA   TRP  95           HA       TRP  95 -11.212   2.325 -17.904
  190    HB2  TRP  95           HB2      TRP  95 -12.051   1.135 -15.871
  191    HB3  TRP  95           HB3      TRP  95 -10.485   0.617 -16.461
  192    HD1  TRP  95           HD1      TRP  95  -8.450   0.814 -14.898
  193    HE1  TRP  95           HE1      TRP  95  -8.170   1.261 -12.382
  194    HE3  TRP  95           HE3      TRP  95 -13.192   2.581 -13.819
  195    HZ2  TRP  95           HZ2      TRP  95  -9.791   2.122 -10.197
  196    HZ3  TRP  95           HZ3      TRP  95 -13.771   3.128 -11.500
  197    HH2  TRP  95           HH2      TRP  95 -12.100   2.896  -9.688
  198    H    LEU  96           H        LEU  96 -10.637   4.986 -15.736
  199    HA   LEU  96           HA       LEU  96 -13.371   5.448 -15.012
  200    HB2  LEU  96           HB2      LEU  96 -11.001   6.506 -14.172
  201    HB3  LEU  96           HB3      LEU  96 -11.497   7.768 -15.283
  202    HG   LEU  96           HG       LEU  96 -13.836   7.558 -14.002
  203   HD11  LEU  96          HD11      LEU  96 -11.817   6.485 -11.966
  204   HD12  LEU  96          HD12      LEU  96 -13.495   6.947 -11.625
  205   HD13  LEU  96          HD13      LEU  96 -13.151   5.563 -12.677
  206   HD21  LEU  96          HD21      LEU  96 -11.456   8.855 -12.661
  207   HD22  LEU  96          HD22      LEU  96 -12.415   9.570 -13.979
  208   HD23  LEU  96          HD23      LEU  96 -13.169   9.251 -12.409
  209    H    GLY  97           H        GLY  97 -11.666   5.960 -17.967
  210    HA2  GLY  97           HA2      GLY  97 -12.991   8.324 -18.931
  211    HA3  GLY  97           HA3      GLY  97 -11.891   7.279 -19.823
  212    H    ASN  98           H        ASN  98 -15.155   6.718 -18.418
  213    HA   ASN  98           HA       ASN  98 -16.335   6.534 -21.126
  214    HB2  ASN  98           HB2      ASN  98 -15.569   4.223 -20.707
  215    HB3  ASN  98           HB3      ASN  98 -16.405   4.199 -19.157
  216   HD21  ASN  98          HD22      ASN  98 -18.101   2.740 -19.453
  217   HD22  ASN  98          HD21      ASN  98 -19.223   2.829 -20.800
  218    H    ASP  99           H        ASP  99 -17.212   5.829 -17.689
  219    HA   ASP  99           HA       ASP  99 -19.148   8.030 -17.647
  220    HB2  ASP  99           HB2      ASP  99 -20.471   6.305 -18.739
  221    HB3  ASP  99           HB3      ASP  99 -20.066   5.140 -17.480
  222    HA   PRO 100           HA       PRO 100 -16.779   7.530 -13.730
  223    HB2  PRO 100           HB2      PRO 100 -18.238  10.110 -13.278
  224    HB3  PRO 100           HB3      PRO 100 -16.567   9.623 -12.821
  225    HG2  PRO 100           HG2      PRO 100 -16.972  11.122 -15.044
  226    HG3  PRO 100           HG3      PRO 100 -15.821   9.749 -15.083
  227    HD2  PRO 100           HD2      PRO 100 -18.660   9.852 -16.109
  228    HD3  PRO 100           HD3      PRO 100 -17.214   9.102 -16.847
  229    H    ALA 101           H        ALA 101 -20.311   7.862 -14.007
  230    HA   ALA 101           HA       ALA 101 -20.817   7.274 -11.217
  231    HB1  ALA 101           HB1      ALA 101 -22.642   7.314 -13.649
  232    HB2  ALA 101           HB2      ALA 101 -23.165   7.263 -11.950
  233    HB3  ALA 101           HB3      ALA 101 -22.309   8.688 -12.566
  234    H    ALA 102           H        ALA 102 -20.241   5.275 -14.054
  235    HA   ALA 102           HA       ALA 102 -22.008   3.125 -13.530
  236    HB1  ALA 102           HB1      ALA 102 -20.967   3.641 -15.711
  237    HB2  ALA 102           HB2      ALA 102 -19.375   3.168 -15.072
  238    HB3  ALA 102           HB3      ALA 102 -20.666   1.957 -15.240
  239    H    PHE 103           H        PHE 103 -18.873   3.735 -12.182
  240    HA   PHE 103           HA       PHE 103 -18.823   1.134 -10.684
  241    HB2  PHE 103           HB2      PHE 103 -16.271   1.424 -11.019
  242    HB3  PHE 103           HB3      PHE 103 -17.242   0.953 -12.403
  243    HD1  PHE 103           HD2      PHE 103 -16.374   4.262 -10.798
  244    HD2  PHE 103           HD1      PHE 103 -16.476   1.882 -14.396
  245    HE1  PHE 103           HE2      PHE 103 -15.858   6.251 -12.090
  246    HE2  PHE 103           HE1      PHE 103 -15.796   3.872 -15.708
  247    HZ   PHE 103           HZ       PHE 103 -15.515   6.062 -14.590
  248    H    LEU 104           H        LEU 104 -19.655   4.093 -10.060
  249    HA   LEU 104           HA       LEU 104 -17.704   5.130  -8.188
  250    HB2  LEU 104           HB2      LEU 104 -19.375   6.435  -9.599
  251    HB3  LEU 104           HB3      LEU 104 -20.632   5.847  -8.525
  252    HG   LEU 104           HG       LEU 104 -18.999   6.833  -6.665
  253   HD11  LEU 104          HD11      LEU 104 -17.945   8.942  -7.358
  254   HD12  LEU 104          HD12      LEU 104 -17.170   7.493  -7.967
  255   HD13  LEU 104          HD13      LEU 104 -18.197   8.473  -9.056
  256   HD21  LEU 104          HD21      LEU 104 -21.320   7.612  -7.092
  257   HD22  LEU 104          HD22      LEU 104 -20.249   8.980  -6.770
  258   HD23  LEU 104          HD23      LEU 104 -20.733   8.612  -8.442
  259    H    ILE 105           H        ILE 105 -17.490   4.691  -6.067
  260    HA   ILE 105           HA       ILE 105 -19.206   2.737  -4.712
  261    HB   ILE 105           HB       ILE 105 -16.869   4.423  -3.732
  262   HG12  ILE 105          HG12      ILE 105 -17.025   1.402  -4.145
  263   HG13  ILE 105          HG13      ILE 105 -16.495   2.504  -5.418
  264   HG21  ILE 105          HG21      ILE 105 -18.467   2.254  -2.260
  265   HG22  ILE 105          HG22      ILE 105 -16.956   2.978  -1.680
  266   HG23  ILE 105          HG23      ILE 105 -18.391   3.973  -1.823
  267   HD11  ILE 105          HD11      ILE 105 -14.538   1.677  -4.302
  268   HD12  ILE 105          HD12      ILE 105 -14.745   3.404  -3.943
  269   HD13  ILE 105          HD13      ILE 105 -15.151   2.180  -2.716
  270    H    GLN 106           H        GLN 106 -20.881   3.143  -3.472
  271    HA   GLN 106           HA       GLN 106 -21.648   5.871  -2.638
  272    HB2  GLN 106           HB2      GLN 106 -23.832   5.658  -3.804
  273    HB3  GLN 106           HB3      GLN 106 -22.454   5.734  -4.898
  274    HG2  GLN 106           HG2      GLN 106 -22.624   3.114  -4.982
  275    HG3  GLN 106           HG3      GLN 106 -24.202   3.340  -4.235
  276   HE21  GLN 106          HE22      GLN 106 -22.234   3.855  -7.150
  277   HE22  GLN 106          HE21      GLN 106 -23.595   4.274  -8.191
  278    HA   PRO 107           HA       PRO 107 -23.115   3.703   0.848
  279    HB2  PRO 107           HB2      PRO 107 -25.204   5.213   1.802
  280    HB3  PRO 107           HB3      PRO 107 -23.493   5.720   1.872
  281    HG2  PRO 107           HG2      PRO 107 -25.564   6.488  -0.200
  282    HG3  PRO 107           HG3      PRO 107 -24.435   7.561   0.685
  283    HD2  PRO 107           HD2      PRO 107 -23.882   6.690  -1.821
  284    HD3  PRO 107           HD3      PRO 107 -22.588   6.830  -0.600
  285    H    ASP 108           H        ASP 108 -24.398   2.065   1.393
  286    HA   ASP 108           HA       ASP 108 -26.035   0.761  -0.355
  287    HB2  ASP 108           HB2      ASP 108 -24.854  -0.180   1.615
  288    HB3  ASP 108           HB3      ASP 108 -26.068   0.547   2.674
  289    H    LEU 109           H        LEU 109 -27.058   3.331   1.700
  290    HA   LEU 109           HA       LEU 109 -29.819   3.159   0.756
  291    HB2  LEU 109           HB2      LEU 109 -28.900   3.526   3.631
  292    HB3  LEU 109           HB3      LEU 109 -30.518   3.968   3.106
  293    HG   LEU 109           HG       LEU 109 -29.376   1.139   2.975
  294   HD11  LEU 109          HD11      LEU 109 -31.380   2.392   4.902
  295   HD12  LEU 109          HD12      LEU 109 -30.898   0.686   4.860
  296   HD13  LEU 109          HD13      LEU 109 -29.707   1.923   5.286
  297   HD21  LEU 109          HD21      LEU 109 -32.204   2.208   2.510
  298   HD22  LEU 109          HD22      LEU 109 -31.142   1.478   1.284
  299   HD23  LEU 109          HD23      LEU 109 -31.756   0.490   2.609
  300    HA   PRO 110           HA       PRO 110 -29.087   7.418  -0.155
  301    HB2  PRO 110           HB2      PRO 110 -31.585   8.537  -0.104
  302    HB3  PRO 110           HB3      PRO 110 -31.043   7.381  -1.357
  303    HG2  PRO 110           HG2      PRO 110 -32.650   6.781   1.147
  304    HG3  PRO 110           HG3      PRO 110 -32.993   6.269  -0.538
  305    HD2  PRO 110           HD2      PRO 110 -31.740   4.627   1.221
  306    HD3  PRO 110           HD3      PRO 110 -31.257   4.665  -0.500
  307    H    ALA 111           H        ALA 111 -28.854   9.473   0.684
  308    HA   ALA 111           HA       ALA 111 -28.708   9.808   3.546
  309    HB1  ALA 111           HB1      ALA 111 -28.500  11.827   1.262
  310    HB2  ALA 111           HB2      ALA 111 -27.988  12.100   2.943
  311    HB3  ALA 111           HB3      ALA 111 -27.158  10.885   1.954
  312    H    ILE 112           H        ILE 112 -29.692  11.705   4.674
  313    HA   ILE 112           HA       ILE 112 -32.612  11.852   4.278
  314    HB   ILE 112           HB       ILE 112 -30.950  13.072   6.520
  315   HG12  ILE 112          HG12      ILE 112 -32.451  10.408   6.515
  316   HG13  ILE 112          HG13      ILE 112 -30.692  10.556   6.443
  317   HG21  ILE 112          HG21      ILE 112 -33.909  12.298   6.409
  318   HG22  ILE 112          HG22      ILE 112 -33.096  13.208   7.701
  319   HG23  ILE 112          HG23      ILE 112 -33.333  13.956   6.132
  320   HD11  ILE 112          HD11      ILE 112 -30.718  11.713   8.669
  321   HD12  ILE 112          HD12      ILE 112 -32.456  11.330   8.789
  322   HD13  ILE 112          HD13      ILE 112 -31.269  10.025   8.693
  323    H    LEU 113           H        LEU 113 -31.890  12.708   2.257
  324    HA   LEU 113           HA       LEU 113 -31.710  15.698   2.166
  325    HB2  LEU 113           HB2      LEU 113 -29.554  14.457   1.839
  326    HB3  LEU 113           HB3      LEU 113 -30.259  13.647   0.442
  327    HG   LEU 113           HG       LEU 113 -30.380  15.797  -0.767
  328   HD11  LEU 113          HD11      LEU 113 -29.242  17.806   0.180
  329   HD12  LEU 113          HD12      LEU 113 -30.696  17.387   1.086
  330   HD13  LEU 113          HD13      LEU 113 -29.096  16.971   1.744
  331   HD21  LEU 113          HD21      LEU 113 -28.350  14.416  -0.897
  332   HD22  LEU 113          HD22      LEU 113 -27.971  16.139  -1.035
  333   HD23  LEU 113          HD23      LEU 113 -27.658  15.284   0.491
  334    H    GLU 114           H        GLU 114 -33.530  13.023   1.153
  335    HA   GLU 114           HA       GLU 114 -35.096  14.616  -0.777
  336    HB2  GLU 114           HB2      GLU 114 -33.460  13.552  -2.156
  337    HB3  GLU 114           HB3      GLU 114 -33.867  11.952  -1.505
  338    HG2  GLU 114           HG2      GLU 114 -36.147  12.150  -2.466
  339    HG3  GLU 114           HG3      GLU 114 -35.783  13.783  -3.025
  Start of MODEL   12
    1    H1   MET  71           H1       MET  71  -5.882   9.497  12.867
    2    H2   MET  71           H2       MET  71  -6.215   7.921  12.584
    3    H3   MET  71           H3       MET  71  -4.929   8.624  11.860
    4    HA   MET  71           HA       MET  71  -7.768   9.274  11.402
    5    HB2  MET  71           HB2      MET  71  -7.175  10.848   9.728
    6    HB3  MET  71           HB3      MET  71  -6.317  11.284  11.192
    7    HG2  MET  71           HG2      MET  71  -5.096   9.859   8.784
    8    HG3  MET  71           HG3      MET  71  -5.013  11.583   9.109
    9    HE1  MET  71           HE1      MET  71  -1.305  10.480   9.559
   10    HE2  MET  71           HE2      MET  71  -2.493   9.831   8.408
   11    HE3  MET  71           HE3      MET  71  -2.430  11.581   8.730
   12    H    SER  72           H        SER  72  -8.538   8.824   9.186
   13    HA   SER  72           HA       SER  72  -7.239   6.494   7.834
   14    HB2  SER  72           HB2      SER  72 -10.110   6.561   8.861
   15    HB3  SER  72           HB3      SER  72  -9.386   5.276   7.871
   16    HG   SER  72           HG       SER  72  -9.366   4.755  10.111
   17    H    THR  73           H        THR  73  -8.267   5.959   5.764
   18    HA   THR  73           HA       THR  73  -9.985   8.010   4.507
   19    HB   THR  73           HB       THR  73  -7.864   8.850   4.133
   20    HG1  THR  73           HG1      THR  73  -8.074   9.094   1.917
   21   HG21  THR  73          HG21      THR  73  -7.214   6.300   2.567
   22   HG22  THR  73          HG22      THR  73  -6.208   7.767   2.618
   23   HG23  THR  73          HG23      THR  73  -6.436   6.807   4.083
   24    H    VAL  74           H        VAL  74 -10.643   7.267   2.247
   25    HA   VAL  74           HA       VAL  74 -10.908   4.334   1.945
   26    HB   VAL  74           HB       VAL  74 -13.380   4.558   1.602
   27   HG11  VAL  74          HG11      VAL  74 -12.435   3.640   3.697
   28   HG12  VAL  74          HG12      VAL  74 -12.487   5.265   4.420
   29   HG13  VAL  74          HG13      VAL  74 -13.988   4.456   3.942
   30   HG21  VAL  74          HG21      VAL  74 -13.566   7.009   1.289
   31   HG22  VAL  74          HG22      VAL  74 -14.615   6.418   2.580
   32   HG23  VAL  74          HG23      VAL  74 -13.110   7.259   2.986
   33    HA   PRO  75           HA       PRO  75 -10.804   5.419  -2.402
   34    HB2  PRO  75           HB2      PRO  75 -12.093   3.314  -3.587
   35    HB3  PRO  75           HB3      PRO  75 -10.459   3.199  -2.868
   36    HG2  PRO  75           HG2      PRO  75 -13.103   2.466  -1.588
   37    HG3  PRO  75           HG3      PRO  75 -11.605   1.486  -1.661
   38    HD2  PRO  75           HD2      PRO  75 -12.237   2.954   0.523
   39    HD3  PRO  75           HD3      PRO  75 -10.547   2.825  -0.034
   40    H    LYS  76           H        LYS  76 -12.082   5.900  -4.217
   41    HA   LYS  76           HA       LYS  76 -14.896   6.814  -3.603
   42    HB2  LYS  76           HB2      LYS  76 -12.821   8.195  -5.336
   43    HB3  LYS  76           HB3      LYS  76 -14.529   8.614  -5.193
   44    HG2  LYS  76           HG2      LYS  76 -14.213   8.964  -2.725
   45    HG3  LYS  76           HG3      LYS  76 -12.498   8.609  -2.920
   46    HD2  LYS  76           HD2      LYS  76 -12.673  10.988  -2.872
   47    HD3  LYS  76           HD3      LYS  76 -12.309  10.524  -4.526
   48    HE2  LYS  76           HE2      LYS  76 -13.918  12.257  -4.658
   49    HE3  LYS  76           HE3      LYS  76 -14.764  10.776  -5.100
   50    HZ1  LYS  76           HZ1      LYS  76 -15.708  10.743  -2.812
   51    HZ2  LYS  76           HZ2      LYS  76 -14.875  12.093  -2.412
   52    HZ3  LYS  76           HZ3      LYS  76 -16.050  12.164  -3.532
   53    H    TYR  77           H        TYR  77 -12.925   4.995  -5.854
   54    HA   TYR  77           HA       TYR  77 -15.365   4.345  -7.464
   55    HB2  TYR  77           HB2      TYR  77 -12.603   4.930  -8.587
   56    HB3  TYR  77           HB3      TYR  77 -14.046   4.542  -9.499
   57    HD1  TYR  77           HD2      TYR  77 -12.481   7.135  -7.317
   58    HD2  TYR  77           HD1      TYR  77 -15.450   6.300 -10.321
   59    HE1  TYR  77           HE2      TYR  77 -12.887   9.573  -7.588
   60    HE2  TYR  77           HE1      TYR  77 -15.744   8.737 -10.693
   61    HH   TYR  77           HH       TYR  77 -14.044  11.216  -8.756
   62    H    ARG  78           H        ARG  78 -15.405   2.270  -8.312
   63    HA   ARG  78           HA       ARG  78 -13.088   0.455  -8.015
   64    HB2  ARG  78           HB2      ARG  78 -14.366   0.248  -5.902
   65    HB3  ARG  78           HB3      ARG  78 -15.827  -0.147  -6.819
   66    HG2  ARG  78           HG2      ARG  78 -14.728  -2.211  -7.696
   67    HG3  ARG  78           HG3      ARG  78 -13.218  -1.754  -6.898
   68    HD2  ARG  78           HD2      ARG  78 -14.294  -3.435  -5.564
   69    HD3  ARG  78           HD3      ARG  78 -14.366  -1.892  -4.686
   70    HE   ARG  78           HE       ARG  78 -16.749  -2.306  -6.281
   71   HH11  ARG  78          HH11      ARG  78 -15.321  -3.437  -3.289
   72   HH12  ARG  78          HH12      ARG  78 -16.869  -3.810  -2.580
   73   HH21  ARG  78          HH21      ARG  78 -18.693  -2.804  -5.322
   74   HH22  ARG  78          HH22      ARG  78 -18.725  -3.470  -3.716
   75    H    ASP  79           H        ASP  79 -12.800  -0.380  -9.947
   76    HA   ASP  79           HA       ASP  79 -14.679  -0.434 -12.109
   77    HB2  ASP  79           HB2      ASP  79 -12.287  -0.360 -12.471
   78    HB3  ASP  79           HB3      ASP  79 -12.065  -1.890 -11.630
   79    HA   PRO  80           HA       PRO  80 -16.715  -4.165 -10.487
   80    HB2  PRO  80           HB2      PRO  80 -18.676  -4.524 -12.367
   81    HB3  PRO  80           HB3      PRO  80 -18.711  -3.234 -11.127
   82    HG2  PRO  80           HG2      PRO  80 -17.753  -3.029 -14.001
   83    HG3  PRO  80           HG3      PRO  80 -18.902  -1.950 -13.140
   84    HD2  PRO  80           HD2      PRO  80 -16.279  -1.307 -13.373
   85    HD3  PRO  80           HD3      PRO  80 -17.172  -0.989 -11.847
   86    H    ALA  81           H        ALA  81 -15.185  -4.026 -13.668
   87    HA   ALA  81           HA       ALA  81 -15.594  -6.846 -14.287
   88    HB1  ALA  81           HB1      ALA  81 -14.209  -6.307 -16.246
   89    HB2  ALA  81           HB2      ALA  81 -15.494  -5.103 -16.022
   90    HB3  ALA  81           HB3      ALA  81 -13.822  -4.716 -15.558
   91    H    THR  82           H        THR  82 -13.018  -4.957 -12.784
   92    HA   THR  82           HA       THR  82 -11.284  -7.406 -12.517
   93    HB   THR  82           HB       THR  82  -9.404  -6.052 -12.696
   94    HG1  THR  82           HG1      THR  82 -11.217  -3.924 -13.253
   95   HG21  THR  82          HG21      THR  82  -9.468  -5.635 -15.046
   96   HG22  THR  82          HG22      THR  82 -10.505  -7.036 -14.682
   97   HG23  THR  82          HG23      THR  82 -11.237  -5.453 -15.036
   98    H    GLY  83           H        GLY  83 -12.797  -4.839 -10.660
   99    HA2  GLY  83           HA2      GLY  83 -12.847  -4.579  -8.369
  100    HA3  GLY  83           HA3      GLY  83 -11.610  -5.820  -8.173
  101    H    LYS  84           H        LYS  84 -10.470  -3.571 -10.418
  102    HA   LYS  84           HA       LYS  84  -8.487  -2.309  -8.739
  103    HB2  LYS  84           HB2      LYS  84  -9.587  -1.664 -11.506
  104    HB3  LYS  84           HB3      LYS  84  -8.266  -0.763 -10.742
  105    HG2  LYS  84           HG2      LYS  84  -6.942  -2.804 -10.501
  106    HG3  LYS  84           HG3      LYS  84  -8.230  -3.773 -11.232
  107    HD2  LYS  84           HD2      LYS  84  -8.041  -2.440 -13.336
  108    HD3  LYS  84           HD3      LYS  84  -6.696  -1.528 -12.620
  109    HE2  LYS  84           HE2      LYS  84  -5.425  -3.659 -12.329
  110    HE3  LYS  84           HE3      LYS  84  -6.770  -4.555 -13.038
  111    HZ1  LYS  84           HZ1      LYS  84  -5.154  -2.489 -14.466
  112    HZ2  LYS  84           HZ2      LYS  84  -5.048  -4.101 -14.694
  113    HZ3  LYS  84           HZ3      LYS  84  -6.408  -3.310 -15.120
  114    H    THR  85           H        THR  85  -8.349  -0.204  -7.944
  115    HA   THR  85           HA       THR  85 -10.919   1.317  -7.682
  116    HB   THR  85           HB       THR  85 -10.243   1.798  -5.300
  117    HG1  THR  85           HG1      THR  85  -8.750   0.346  -4.366
  118   HG21  THR  85          HG21      THR  85 -11.964   0.107  -5.808
  119   HG22  THR  85          HG22      THR  85 -10.709  -1.148  -5.890
  120   HG23  THR  85          HG23      THR  85 -11.033  -0.301  -4.360
  121    H    TRP  86           H        TRP  86 -10.769   3.500  -6.936
  122    HA   TRP  86           HA       TRP  86  -8.159   4.831  -6.957
  123    HB2  TRP  86           HB2      TRP  86  -8.873   4.859  -9.359
  124    HB3  TRP  86           HB3      TRP  86 -10.328   5.725  -8.891
  125    HD1  TRP  86           HD1      TRP  86  -6.504   6.251  -8.315
  126    HE1  TRP  86           HE1      TRP  86  -5.963   8.751  -8.559
  127    HE3  TRP  86           HE3      TRP  86 -11.173   7.990  -9.385
  128    HZ2  TRP  86           HZ2      TRP  86  -7.361  11.177  -9.278
  129    HZ3  TRP  86           HZ3      TRP  86 -11.578  10.416  -9.736
  130    HH2  TRP  86           HH2      TRP  86  -9.702  12.009  -9.653
  131    H    SER  87           H        SER  87  -8.294   7.051  -6.117
  132    HA   SER  87           HA       SER  87 -10.635   7.425  -4.268
  133    HB2  SER  87           HB2      SER  87  -7.740   7.707  -3.447
  134    HB3  SER  87           HB3      SER  87  -9.186   7.600  -2.425
  135    HG   SER  87           HG       SER  87  -7.898   5.626  -2.573
  136    H    GLY  88           H        GLY  88  -9.567   9.112  -6.707
  137    HA2  GLY  88           HA2      GLY  88 -10.045  11.362  -7.108
  138    HA3  GLY  88           HA3      GLY  88 -10.220  11.648  -5.392
  139    H    ARG  89           H        ARG  89  -7.205  10.180  -6.238
  140    HA   ARG  89           HA       ARG  89  -5.744  12.787  -6.242
  141    HB2  ARG  89           HB2      ARG  89  -6.068  11.923  -3.905
  142    HB3  ARG  89           HB3      ARG  89  -5.189  10.455  -4.345
  143    HG2  ARG  89           HG2      ARG  89  -3.150  11.775  -4.768
  144    HG3  ARG  89           HG3      ARG  89  -4.045  13.284  -4.474
  145    HD2  ARG  89           HD2      ARG  89  -4.471  12.573  -2.144
  146    HD3  ARG  89           HD3      ARG  89  -3.600  11.053  -2.445
  147    HE   ARG  89           HE       ARG  89  -1.873  13.206  -3.129
  148   HH11  ARG  89          HH21      ARG  89  -3.265  11.875  -0.204
  149   HH12  ARG  89          HH22      ARG  89  -1.958  12.452   0.795
  150   HH21  ARG  89          HH11      ARG  89  -0.227  13.905  -1.803
  151   HH22  ARG  89          HH12      ARG  89  -0.281  13.565  -0.099
  152    H    GLY  90           H        GLY  90  -3.693  12.761  -7.166
  153    HA2  GLY  90           HA2      GLY  90  -1.919  12.036  -8.483
  154    HA3  GLY  90           HA3      GLY  90  -2.352  10.368  -8.120
  155    H    ARG  91           H        ARG  91  -1.615  10.204 -10.427
  156    HA   ARG  91           HA       ARG  91  -3.276  11.133 -12.651
  157    HB2  ARG  91           HB2      ARG  91  -1.170   8.979 -12.480
  158    HB3  ARG  91           HB3      ARG  91  -2.134   9.384 -13.907
  159    HG2  ARG  91           HG2      ARG  91  -0.040  10.441 -14.166
  160    HG3  ARG  91           HG3      ARG  91  -1.276  11.676 -13.927
  161    HD2  ARG  91           HD2      ARG  91  -0.512  12.016 -11.610
  162    HD3  ARG  91           HD3      ARG  91   0.641  10.669 -11.780
  163    HE   ARG  91           HE       ARG  91   1.085  12.632 -13.834
  164   HH11  ARG  91          HH11      ARG  91   1.664  12.250 -10.390
  165   HH12  ARG  91          HH12      ARG  91   3.002  13.367 -10.408
  166   HH21  ARG  91          HH21      ARG  91   2.832  14.008 -13.779
  167   HH22  ARG  91          HH22      ARG  91   3.652  14.317 -12.278
  168    H    GLN  92           H        GLN  92  -5.310  10.570 -12.855
  169    HA   GLN  92           HA       GLN  92  -6.645   8.427 -11.633
  170    HB2  GLN  92           HB2      GLN  92  -7.667  10.510 -12.476
  171    HB3  GLN  92           HB3      GLN  92  -7.398   9.972 -14.139
  172    HG2  GLN  92           HG2      GLN  92  -8.865   7.993 -13.693
  173    HG3  GLN  92           HG3      GLN  92  -9.137   8.586 -12.053
  174   HE21  GLN  92          HE22      GLN  92 -10.791  10.143 -11.774
  175   HE22  GLN  92          HE21      GLN  92 -11.682  10.826 -13.132
  176    HA   PRO  93           HA       PRO  93  -5.478   4.886 -14.274
  177    HB2  PRO  93           HB2      PRO  93  -8.045   3.831 -13.120
  178    HB3  PRO  93           HB3      PRO  93  -6.466   3.013 -13.334
  179    HG2  PRO  93           HG2      PRO  93  -7.202   3.957 -10.900
  180    HG3  PRO  93           HG3      PRO  93  -5.521   4.174 -11.487
  181    HD2  PRO  93           HD2      PRO  93  -7.774   6.188 -11.460
  182    HD3  PRO  93           HD3      PRO  93  -6.043   6.401 -11.065
  183    H    ALA  94           H        ALA  94  -6.148   3.945 -16.236
  184    HA   ALA  94           HA       ALA  94  -7.557   5.664 -17.928
  185    HB1  ALA  94           HB1      ALA  94  -7.187   3.918 -19.632
  186    HB2  ALA  94           HB2      ALA  94  -5.747   4.158 -18.624
  187    HB3  ALA  94           HB3      ALA  94  -6.796   2.743 -18.355
  188    H    TRP  95           H        TRP  95  -8.875   2.748 -16.324
  189    HA   TRP  95           HA       TRP  95 -11.176   2.423 -17.960
  190    HB2  TRP  95           HB2      TRP  95 -12.147   1.222 -15.978
  191    HB3  TRP  95           HB3      TRP  95 -10.611   0.625 -16.578
  192    HD1  TRP  95           HD1      TRP  95  -8.520   0.780 -15.021
  193    HE1  TRP  95           HE1      TRP  95  -8.239   1.080 -12.492
  194    HE3  TRP  95           HE3      TRP  95 -13.294   2.394 -13.820
  195    HZ2  TRP  95           HZ2      TRP  95  -9.819   1.917 -10.270
  196    HZ3  TRP  95           HZ3      TRP  95 -13.839   2.873 -11.471
  197    HH2  TRP  95           HH2      TRP  95 -12.135   2.677  -9.712
  198    H    LEU  96           H        LEU  96 -10.631   4.813 -15.439
  199    HA   LEU  96           HA       LEU  96 -13.393   5.419 -14.983
  200    HB2  LEU  96           HB2      LEU  96 -10.884   7.050 -14.505
  201    HB3  LEU  96           HB3      LEU  96 -12.500   7.582 -14.076
  202    HG   LEU  96           HG       LEU  96 -12.599   5.173 -12.862
  203   HD11  LEU  96          HD11      LEU  96  -9.667   6.001 -12.693
  204   HD12  LEU  96          HD12      LEU  96 -10.445   4.760 -11.694
  205   HD13  LEU  96          HD13      LEU  96 -10.283   4.515 -13.438
  206   HD21  LEU  96          HD21      LEU  96 -12.001   6.314 -10.791
  207   HD22  LEU  96          HD22      LEU  96 -11.274   7.644 -11.717
  208   HD23  LEU  96          HD23      LEU  96 -13.020   7.347 -11.803
  209    H    GLY  97           H        GLY  97 -11.360   6.197 -17.670
  210    HA2  GLY  97           HA2      GLY  97 -12.648   8.651 -18.502
  211    HA3  GLY  97           HA3      GLY  97 -11.511   7.675 -19.430
  212    H    ASN  98           H        ASN  98 -14.776   6.916 -18.124
  213    HA   ASN  98           HA       ASN  98 -15.827   6.462 -20.887
  214    HB2  ASN  98           HB2      ASN  98 -15.720   4.390 -18.643
  215    HB3  ASN  98           HB3      ASN  98 -16.779   4.262 -20.046
  216   HD21  ASN  98          HD22      ASN  98 -13.624   3.600 -18.856
  217   HD22  ASN  98          HD21      ASN  98 -12.953   3.121 -20.416
  218    H    ASP  99           H        ASP  99 -17.089   5.761 -17.586
  219    HA   ASP  99           HA       ASP  99 -19.109   7.896 -17.743
  220    HB2  ASP  99           HB2      ASP  99 -20.098   6.182 -19.174
  221    HB3  ASP  99           HB3      ASP  99 -19.877   4.959 -17.925
  222    HA   PRO 100           HA       PRO 100 -17.127   7.119 -13.635
  223    HB2  PRO 100           HB2      PRO 100 -18.676   9.647 -13.182
  224    HB3  PRO 100           HB3      PRO 100 -17.085   9.124 -12.516
  225    HG2  PRO 100           HG2      PRO 100 -17.161  10.752 -14.683
  226    HG3  PRO 100           HG3      PRO 100 -16.016   9.375 -14.627
  227    HD2  PRO 100           HD2      PRO 100 -18.629   9.590 -16.106
  228    HD3  PRO 100           HD3      PRO 100 -17.102   8.789 -16.591
  229    H    ALA 101           H        ALA 101 -20.636   7.878 -13.905
  230    HA   ALA 101           HA       ALA 101 -21.259   6.992 -11.296
  231    HB1  ALA 101           HB1      ALA 101 -23.596   7.056 -12.103
  232    HB2  ALA 101           HB2      ALA 101 -22.696   8.478 -12.659
  233    HB3  ALA 101           HB3      ALA 101 -23.022   7.132 -13.782
  234    H    ALA 102           H        ALA 102 -20.577   5.025 -14.102
  235    HA   ALA 102           HA       ALA 102 -22.066   2.677 -13.306
  236    HB1  ALA 102           HB1      ALA 102 -21.341   3.140 -15.626
  237    HB2  ALA 102           HB2      ALA 102 -19.642   2.999 -15.131
  238    HB3  ALA 102           HB3      ALA 102 -20.709   1.586 -15.048
  239    H    PHE 103           H        PHE 103 -18.927   3.965 -12.342
  240    HA   PHE 103           HA       PHE 103 -18.443   1.565 -10.628
  241    HB2  PHE 103           HB2      PHE 103 -15.976   1.924 -11.238
  242    HB3  PHE 103           HB3      PHE 103 -17.038   1.158 -12.397
  243    HD1  PHE 103           HD2      PHE 103 -15.578   4.481 -11.523
  244    HD2  PHE 103           HD1      PHE 103 -17.267   1.978 -14.591
  245    HE1  PHE 103           HE2      PHE 103 -15.117   6.242 -13.204
  246    HE2  PHE 103           HE1      PHE 103 -16.814   3.731 -16.275
  247    HZ   PHE 103           HZ       PHE 103 -15.735   5.875 -15.587
  248    H    LEU 104           H        LEU 104 -18.959   4.886 -10.446
  249    HA   LEU 104           HA       LEU 104 -17.291   5.608  -8.227
  250    HB2  LEU 104           HB2      LEU 104 -19.949   6.453  -9.335
  251    HB3  LEU 104           HB3      LEU 104 -19.659   6.832  -7.645
  252    HG   LEU 104           HG       LEU 104 -17.687   7.600  -9.806
  253   HD11  LEU 104          HD11      LEU 104 -19.851   8.677 -10.288
  254   HD12  LEU 104          HD12      LEU 104 -19.941   9.268  -8.615
  255   HD13  LEU 104          HD13      LEU 104 -18.672   9.863  -9.704
  256   HD21  LEU 104          HD21      LEU 104 -18.130   8.523  -6.918
  257   HD22  LEU 104          HD22      LEU 104 -16.711   7.671  -7.560
  258   HD23  LEU 104          HD23      LEU 104 -17.038   9.324  -8.059
  259    H    ILE 105           H        ILE 105 -17.356   5.060  -6.076
  260    HA   ILE 105           HA       ILE 105 -19.064   2.839  -5.195
  261    HB   ILE 105           HB       ILE 105 -17.080   4.587  -3.684
  262   HG12  ILE 105          HG12      ILE 105 -16.883   1.651  -4.510
  263   HG13  ILE 105          HG13      ILE 105 -16.214   2.969  -5.468
  264   HG21  ILE 105          HG21      ILE 105 -18.639   2.114  -2.756
  265   HG22  ILE 105          HG22      ILE 105 -17.344   2.918  -1.845
  266   HG23  ILE 105          HG23      ILE 105 -18.857   3.759  -2.137
  267   HD11  ILE 105          HD11      ILE 105 -14.419   2.150  -4.163
  268   HD12  ILE 105          HD12      ILE 105 -14.905   3.711  -3.466
  269   HD13  ILE 105          HD13      ILE 105 -15.372   2.194  -2.666
  270    H    GLN 106           H        GLN 106 -21.035   3.016  -4.386
  271    HA   GLN 106           HA       GLN 106 -22.154   5.655  -3.548
  272    HB2  GLN 106           HB2      GLN 106 -23.121   3.728  -5.704
  273    HB3  GLN 106           HB3      GLN 106 -24.174   4.950  -5.004
  274    HG2  GLN 106           HG2      GLN 106 -22.894   6.760  -5.875
  275    HG3  GLN 106           HG3      GLN 106 -21.518   5.738  -6.255
  276   HE21  GLN 106          HE22      GLN 106 -21.575   4.351  -8.118
  277   HE22  GLN 106          HE21      GLN 106 -22.722   4.686  -9.418
  278    HA   PRO 107           HA       PRO 107 -23.981   3.218  -0.367
  279    HB2  PRO 107           HB2      PRO 107 -25.994   4.802   0.560
  280    HB3  PRO 107           HB3      PRO 107 -24.279   5.304   0.621
  281    HG2  PRO 107           HG2      PRO 107 -26.336   6.002  -1.499
  282    HG3  PRO 107           HG3      PRO 107 -25.290   7.126  -0.576
  283    HD2  PRO 107           HD2      PRO 107 -24.594   6.251  -3.048
  284    HD3  PRO 107           HD3      PRO 107 -23.364   6.470  -1.763
  285    H    ASP 108           H        ASP 108 -25.586   3.363  -3.278
  286    HA   ASP 108           HA       ASP 108 -27.517   2.656  -4.211
  287    HB2  ASP 108           HB2      ASP 108 -26.254   0.560  -3.698
  288    HB3  ASP 108           HB3      ASP 108 -27.251   0.346  -2.260
  289    H    LEU 109           H        LEU 109 -27.965   4.536  -2.128
  290    HA   LEU 109           HA       LEU 109 -30.819   4.070  -1.477
  291    HB2  LEU 109           HB2      LEU 109 -28.575   4.823   0.441
  292    HB3  LEU 109           HB3      LEU 109 -30.256   5.158   0.815
  293    HG   LEU 109           HG       LEU 109 -29.152   2.355   0.327
  294   HD11  LEU 109          HD11      LEU 109 -28.226   3.378   2.367
  295   HD12  LEU 109          HD12      LEU 109 -29.864   3.790   2.918
  296   HD13  LEU 109          HD13      LEU 109 -29.375   2.091   2.763
  297   HD21  LEU 109          HD21      LEU 109 -31.289   1.634   1.373
  298   HD22  LEU 109          HD22      LEU 109 -31.838   3.324   1.399
  299   HD23  LEU 109          HD23      LEU 109 -31.565   2.489  -0.147
  300    HA   PRO 110           HA       PRO 110 -31.169   8.361  -2.702
  301    HB2  PRO 110           HB2      PRO 110 -33.305   9.257  -1.237
  302    HB3  PRO 110           HB3      PRO 110 -33.457   8.098  -2.592
  303    HG2  PRO 110           HG2      PRO 110 -33.309   7.476   0.376
  304    HG3  PRO 110           HG3      PRO 110 -34.494   6.864  -0.825
  305    HD2  PRO 110           HD2      PRO 110 -32.319   5.417  -0.098
  306    HD3  PRO 110           HD3      PRO 110 -32.902   5.411  -1.790
  307    H    ALA 111           H        ALA 111 -30.806  10.484  -2.051
  308    HA   ALA 111           HA       ALA 111 -29.892  11.087   0.708
  309    HB1  ALA 111           HB1      ALA 111 -27.939  10.097  -0.461
  310    HB2  ALA 111           HB2      ALA 111 -28.127  11.270  -1.782
  311    HB3  ALA 111           HB3      ALA 111 -27.676  11.823  -0.150
  312    H    ILE 112           H        ILE 112 -29.172  13.426   0.858
  313    HA   ILE 112           HA       ILE 112 -31.196  15.138  -0.431
  314    HB   ILE 112           HB       ILE 112 -29.314  15.849   1.854
  315   HG12  ILE 112          HG12      ILE 112 -32.200  14.871   2.022
  316   HG13  ILE 112          HG13      ILE 112 -30.795  13.899   2.466
  317   HG21  ILE 112          HG21      ILE 112 -30.901  17.683   2.264
  318   HG22  ILE 112          HG22      ILE 112 -30.449  17.760   0.567
  319   HG23  ILE 112          HG23      ILE 112 -32.007  17.045   1.032
  320   HD11  ILE 112          HD11      ILE 112 -31.774  16.399   3.889
  321   HD12  ILE 112          HD12      ILE 112 -31.746  14.733   4.487
  322   HD13  ILE 112          HD13      ILE 112 -30.216  15.596   4.225
  323    H    LEU 113           H        LEU 113 -29.939  14.519  -2.288
  324    HA   LEU 113           HA       LEU 113 -27.864  16.563  -3.052
  325    HB2  LEU 113           HB2      LEU 113 -28.044  13.623  -3.830
  326    HB3  LEU 113           HB3      LEU 113 -26.877  14.761  -4.495
  327    HG   LEU 113           HG       LEU 113 -27.013  13.934  -1.565
  328   HD11  LEU 113          HD11      LEU 113 -24.957  12.699  -2.053
  329   HD12  LEU 113          HD12      LEU 113 -26.270  12.125  -3.093
  330   HD13  LEU 113          HD13      LEU 113 -25.026  13.201  -3.760
  331   HD21  LEU 113          HD21      LEU 113 -24.782  15.023  -1.415
  332   HD22  LEU 113          HD22      LEU 113 -24.973  15.629  -3.078
  333   HD23  LEU 113          HD23      LEU 113 -26.053  16.190  -1.784
  334    H    GLU 114           H        GLU 114 -30.988  15.913  -3.593
  335    HA   GLU 114           HA       GLU 114 -31.010  17.096  -6.294
  336    HB2  GLU 114           HB2      GLU 114 -30.984  14.753  -6.738
  337    HB3  GLU 114           HB3      GLU 114 -32.373  14.468  -5.669
  338    HG2  GLU 114           HG2      GLU 114 -33.792  15.853  -7.163
  339    HG3  GLU 114           HG3      GLU 114 -32.396  16.215  -8.179
  Start of MODEL   13
    1    H1   MET  71           H1       MET  71  -3.975  10.057  11.180
    2    H2   MET  71           H2       MET  71  -4.639  11.504  11.559
    3    H3   MET  71           H3       MET  71  -5.587  10.174  11.448
    4    HA   MET  71           HA       MET  71  -5.885  11.557   9.504
    5    HB2  MET  71           HB2      MET  71  -3.599  12.564   9.602
    6    HB3  MET  71           HB3      MET  71  -2.915  11.057   8.995
    7    HG2  MET  71           HG2      MET  71  -4.250  11.295   6.920
    8    HG3  MET  71           HG3      MET  71  -4.934  12.806   7.519
    9    HE1  MET  71           HE1      MET  71  -1.978  15.321   7.291
   10    HE2  MET  71           HE2      MET  71  -3.719  15.095   7.562
   11    HE3  MET  71           HE3      MET  71  -2.541  14.476   8.745
   12    H    SER  72           H        SER  72  -6.880  10.437   7.871
   13    HA   SER  72           HA       SER  72  -5.855   7.837   6.925
   14    HB2  SER  72           HB2      SER  72  -7.986   6.692   7.387
   15    HB3  SER  72           HB3      SER  72  -7.188   7.201   8.878
   16    HG   SER  72           HG       SER  72  -9.427   7.704   8.910
   17    H    THR  73           H        THR  73  -7.319   6.940   5.174
   18    HA   THR  73           HA       THR  73  -8.895   8.945   3.684
   19    HB   THR  73           HB       THR  73  -6.748   9.344   2.926
   20    HG1  THR  73           HG1      THR  73  -7.207   9.140   0.728
   21   HG21  THR  73          HG21      THR  73  -5.484   7.740   1.498
   22   HG22  THR  73          HG22      THR  73  -5.620   7.142   3.157
   23   HG23  THR  73          HG23      THR  73  -6.663   6.470   1.889
   24    H    VAL  74           H        VAL  74  -9.939   7.874   1.716
   25    HA   VAL  74           HA       VAL  74 -10.536   4.996   2.017
   26    HB   VAL  74           HB       VAL  74 -12.997   5.423   1.882
   27   HG11  VAL  74          HG11      VAL  74 -11.910   4.812   4.019
   28   HG12  VAL  74          HG12      VAL  74 -11.726   6.536   4.407
   29   HG13  VAL  74          HG13      VAL  74 -13.345   5.828   4.243
   30   HG21  VAL  74          HG21      VAL  74 -12.334   8.289   2.676
   31   HG22  VAL  74          HG22      VAL  74 -13.006   7.775   1.115
   32   HG23  VAL  74          HG23      VAL  74 -13.946   7.549   2.596
   33    HA   PRO  75           HA       PRO  75 -10.840   5.334  -2.452
   34    HB2  PRO  75           HB2      PRO  75 -12.332   3.164  -3.132
   35    HB3  PRO  75           HB3      PRO  75 -10.661   3.030  -2.502
   36    HG2  PRO  75           HG2      PRO  75 -13.253   2.774  -0.951
   37    HG3  PRO  75           HG3      PRO  75 -11.851   1.656  -0.952
   38    HD2  PRO  75           HD2      PRO  75 -12.173   3.538   0.978
   39    HD3  PRO  75           HD3      PRO  75 -10.550   3.138   0.345
   40    H    LYS  76           H        LYS  76 -12.295   5.705  -4.139
   41    HA   LYS  76           HA       LYS  76 -15.100   6.590  -3.450
   42    HB2  LYS  76           HB2      LYS  76 -13.064   8.147  -5.058
   43    HB3  LYS  76           HB3      LYS  76 -14.808   8.456  -4.993
   44    HG2  LYS  76           HG2      LYS  76 -14.664   8.819  -2.542
   45    HG3  LYS  76           HG3      LYS  76 -12.926   8.528  -2.608
   46    HD2  LYS  76           HD2      LYS  76 -13.298  10.915  -2.533
   47    HD3  LYS  76           HD3      LYS  76 -12.608  10.465  -4.083
   48    HE2  LYS  76           HE2      LYS  76 -14.244  12.115  -4.533
   49    HE3  LYS  76           HE3      LYS  76 -14.906  10.596  -5.121
   50    HZ1  LYS  76           HZ1      LYS  76 -16.544  11.905  -3.842
   51    HZ2  LYS  76           HZ2      LYS  76 -16.279  10.496  -3.069
   52    HZ3  LYS  76           HZ3      LYS  76 -15.606  11.882  -2.513
   53    H    TYR  77           H        TYR  77 -12.980   5.018  -5.758
   54    HA   TYR  77           HA       TYR  77 -15.333   4.382  -7.493
   55    HB2  TYR  77           HB2      TYR  77 -12.571   5.128  -8.502
   56    HB3  TYR  77           HB3      TYR  77 -14.019   4.860  -9.456
   57    HD1  TYR  77           HD1      TYR  77 -12.284   7.166  -7.127
   58    HD2  TYR  77           HD2      TYR  77 -15.550   6.695  -9.898
   59    HE1  TYR  77           HE1      TYR  77 -12.691   9.627  -7.071
   60    HE2  TYR  77           HE2      TYR  77 -15.889   9.172  -9.889
   61    HH   TYR  77           HH       TYR  77 -15.237  11.202  -9.015
   62    H    ARG  78           H        ARG  78 -15.265   2.330  -8.438
   63    HA   ARG  78           HA       ARG  78 -12.851   0.663  -8.159
   64    HB2  ARG  78           HB2      ARG  78 -14.241   0.348  -6.076
   65    HB3  ARG  78           HB3      ARG  78 -15.556  -0.271  -7.088
   66    HG2  ARG  78           HG2      ARG  78 -14.112  -2.128  -7.867
   67    HG3  ARG  78           HG3      ARG  78 -12.738  -1.425  -7.008
   68    HD2  ARG  78           HD2      ARG  78 -14.141  -1.682  -4.858
   69    HD3  ARG  78           HD3      ARG  78 -15.222  -2.700  -5.833
   70    HE   ARG  78           HE       ARG  78 -12.412  -3.470  -6.071
   71   HH11  ARG  78          HH11      ARG  78 -15.149  -3.911  -3.905
   72   HH12  ARG  78          HH12      ARG  78 -14.481  -5.373  -3.235
   73   HH21  ARG  78          HH21      ARG  78 -11.621  -5.297  -5.159
   74   HH22  ARG  78          HH22      ARG  78 -12.524  -6.135  -3.936
   75    H    ASP  79           H        ASP  79 -12.470  -0.237 -10.025
   76    HA   ASP  79           HA       ASP  79 -14.236  -0.253 -12.283
   77    HB2  ASP  79           HB2      ASP  79 -11.873  -0.158 -12.594
   78    HB3  ASP  79           HB3      ASP  79 -11.604  -1.621 -11.652
   79    HA   PRO  80           HA       PRO  80 -16.285  -4.090 -10.846
   80    HB2  PRO  80           HB2      PRO  80 -18.212  -4.363 -12.774
   81    HB3  PRO  80           HB3      PRO  80 -18.297  -3.153 -11.458
   82    HG2  PRO  80           HG2      PRO  80 -17.296  -2.742 -14.292
   83    HG3  PRO  80           HG3      PRO  80 -18.479  -1.748 -13.380
   84    HD2  PRO  80           HD2      PRO  80 -15.854  -1.059 -13.538
   85    HD3  PRO  80           HD3      PRO  80 -16.792  -0.812 -12.032
   86    H    ALA  81           H        ALA  81 -14.674  -3.640 -13.943
   87    HA   ALA  81           HA       ALA  81 -15.009  -6.345 -14.898
   88    HB1  ALA  81           HB1      ALA  81 -13.464  -5.615 -16.651
   89    HB2  ALA  81           HB2      ALA  81 -14.700  -4.372 -16.358
   90    HB3  ALA  81           HB3      ALA  81 -13.056  -4.154 -15.726
   91    H    THR  82           H        THR  82 -12.443  -4.715 -13.043
   92    HA   THR  82           HA       THR  82 -10.984  -7.333 -12.727
   93    HB   THR  82           HB       THR  82  -8.975  -6.181 -12.593
   94    HG1  THR  82           HG1      THR  82 -10.469  -3.829 -13.201
   95   HG21  THR  82          HG21      THR  82  -8.718  -5.606 -14.908
   96   HG22  THR  82          HG22      THR  82  -9.912  -6.919 -14.761
   97   HG23  THR  82          HG23      THR  82 -10.452  -5.258 -15.082
   98    H    GLY  83           H        GLY  83 -12.489  -4.737 -10.924
   99    HA2  GLY  83           HA2      GLY  83 -12.922  -4.724  -8.647
  100    HA3  GLY  83           HA3      GLY  83 -11.677  -5.941  -8.359
  101    H    LYS  84           H        LYS  84 -10.196  -3.621 -10.243
  102    HA   LYS  84           HA       LYS  84  -8.526  -2.573  -8.148
  103    HB2  LYS  84           HB2      LYS  84  -8.925  -1.810 -11.073
  104    HB3  LYS  84           HB3      LYS  84  -7.726  -1.043 -10.015
  105    HG2  LYS  84           HG2      LYS  84  -6.687  -3.230  -9.551
  106    HG3  LYS  84           HG3      LYS  84  -7.903  -4.042 -10.537
  107    HD2  LYS  84           HD2      LYS  84  -6.029  -3.860 -11.947
  108    HD3  LYS  84           HD3      LYS  84  -7.163  -2.609 -12.496
  109    HE2  LYS  84           HE2      LYS  84  -5.861  -0.882 -11.267
  110    HE3  LYS  84           HE3      LYS  84  -4.784  -2.131 -10.635
  111    HZ1  LYS  84           HZ1      LYS  84  -5.074  -1.463 -13.530
  112    HZ2  LYS  84           HZ2      LYS  84  -3.824  -1.014 -12.578
  113    HZ3  LYS  84           HZ3      LYS  84  -4.063  -2.593 -12.918
  114    H    THR  85           H        THR  85  -8.329  -0.511  -7.288
  115    HA   THR  85           HA       THR  85 -10.845   1.117  -7.221
  116    HB   THR  85           HB       THR  85 -10.145   1.622  -4.840
  117    HG1  THR  85           HG1      THR  85  -8.690   0.141  -3.901
  118   HG21  THR  85          HG21      THR  85 -11.930   0.017  -5.279
  119   HG22  THR  85          HG22      THR  85 -10.739  -1.295  -5.484
  120   HG23  THR  85          HG23      THR  85 -10.947  -0.506  -3.907
  121    H    TRP  86           H        TRP  86 -10.730   3.308  -6.593
  122    HA   TRP  86           HA       TRP  86  -8.151   4.728  -6.585
  123    HB2  TRP  86           HB2      TRP  86  -8.641   4.563  -8.969
  124    HB3  TRP  86           HB3      TRP  86 -10.265   5.181  -8.722
  125    HD1  TRP  86           HD1      TRP  86  -6.693   6.495  -7.883
  126    HE1  TRP  86           HE1      TRP  86  -6.568   8.991  -8.480
  127    HE3  TRP  86           HE3      TRP  86 -11.394   7.090  -9.814
  128    HZ2  TRP  86           HZ2      TRP  86  -8.338  11.017  -9.536
  129    HZ3  TRP  86           HZ3      TRP  86 -12.191   9.339 -10.488
  130    HH2  TRP  86           HH2      TRP  86 -10.715  11.305 -10.293
  131    H    SER  87           H        SER  87  -8.460   7.047  -5.974
  132    HA   SER  87           HA       SER  87 -10.865   7.448  -4.226
  133    HB2  SER  87           HB2      SER  87  -9.287   8.064  -2.429
  134    HB3  SER  87           HB3      SER  87  -8.949   6.430  -3.032
  135    HG   SER  87           HG       SER  87  -7.003   7.545  -2.912
  136    H    GLY  88           H        GLY  88 -10.006   8.884  -6.830
  137    HA2  GLY  88           HA2      GLY  88 -10.710  10.984  -7.528
  138    HA3  GLY  88           HA3      GLY  88 -11.043  11.421  -5.861
  139    H    ARG  89           H        ARG  89  -7.797  10.377  -6.537
  140    HA   ARG  89           HA       ARG  89  -6.757  13.147  -6.801
  141    HB2  ARG  89           HB2      ARG  89  -5.312  12.949  -4.876
  142    HB3  ARG  89           HB3      ARG  89  -6.979  12.686  -4.403
  143    HG2  ARG  89           HG2      ARG  89  -6.290  10.087  -4.747
  144    HG3  ARG  89           HG3      ARG  89  -4.669  10.744  -4.512
  145    HD2  ARG  89           HD2      ARG  89  -5.491  10.031  -2.371
  146    HD3  ARG  89           HD3      ARG  89  -5.495  11.804  -2.371
  147    HE   ARG  89           HE       ARG  89  -7.998  10.401  -3.173
  148   HH11  ARG  89          HH11      ARG  89  -6.420  12.030  -0.493
  149   HH12  ARG  89          HH12      ARG  89  -7.937  12.347   0.306
  150   HH21  ARG  89          HH21      ARG  89  -9.832  10.894  -2.202
  151   HH22  ARG  89          HH22      ARG  89  -9.856  11.696  -0.642
  152    H    GLY  90           H        GLY  90  -4.481  13.283  -7.317
  153    HA2  GLY  90           HA2      GLY  90  -2.698  12.744  -8.723
  154    HA3  GLY  90           HA3      GLY  90  -3.014  11.034  -8.433
  155    H    ARG  91           H        ARG  91  -2.385  11.002 -10.789
  156    HA   ARG  91           HA       ARG  91  -4.056  11.985 -12.883
  157    HB2  ARG  91           HB2      ARG  91  -1.822  11.276 -13.227
  158    HB3  ARG  91           HB3      ARG  91  -2.210   9.595 -12.807
  159    HG2  ARG  91           HG2      ARG  91  -3.657   9.428 -14.816
  160    HG3  ARG  91           HG3      ARG  91  -3.389  11.145 -15.160
  161    HD2  ARG  91           HD2      ARG  91  -1.995   9.857 -16.627
  162    HD3  ARG  91           HD3      ARG  91  -0.965  10.692 -15.458
  163    HE   ARG  91           HE       ARG  91  -1.618   8.026 -14.536
  164   HH11  ARG  91          HH21      ARG  91   0.475   9.602 -16.859
  165   HH12  ARG  91          HH22      ARG  91   1.634   8.301 -16.839
  166   HH21  ARG  91          HH11      ARG  91  -0.084   6.421 -14.521
  167   HH22  ARG  91          HH12      ARG  91   1.320   6.549 -15.536
  168    H    GLN  92           H        GLN  92  -5.878  11.272 -13.802
  169    HA   GLN  92           HA       GLN  92  -7.700   9.563 -12.470
  170    HB2  GLN  92           HB2      GLN  92  -8.227  11.452 -14.053
  171    HB3  GLN  92           HB3      GLN  92  -7.691  10.427 -15.392
  172    HG2  GLN  92           HG2      GLN  92  -9.484   8.756 -14.705
  173    HG3  GLN  92           HG3      GLN  92 -10.032   9.942 -13.511
  174   HE21  GLN  92          HE22      GLN  92 -11.195  11.840 -14.307
  175   HE22  GLN  92          HE21      GLN  92 -11.688  11.941 -15.990
  176    HA   PRO  93           HA       PRO  93  -6.285   5.582 -14.163
  177    HB2  PRO  93           HB2      PRO  93  -8.347   3.971 -13.412
  178    HB3  PRO  93           HB3      PRO  93  -7.125   4.588 -12.259
  179    HG2  PRO  93           HG2      PRO  93  -9.900   5.684 -12.813
  180    HG3  PRO  93           HG3      PRO  93  -9.133   5.364 -11.232
  181    HD2  PRO  93           HD2      PRO  93  -9.163   7.853 -12.349
  182    HD3  PRO  93           HD3      PRO  93  -7.756   7.273 -11.410
  183    H    ALA  94           H        ALA  94  -6.547   4.537 -16.110
  184    HA   ALA  94           HA       ALA  94  -8.022   5.784 -18.127
  185    HB1  ALA  94           HB1      ALA  94  -7.272   3.903 -19.539
  186    HB2  ALA  94           HB2      ALA  94  -5.971   4.463 -18.472
  187    HB3  ALA  94           HB3      ALA  94  -6.857   2.966 -18.090
  188    H    TRP  95           H        TRP  95  -9.043   2.989 -16.169
  189    HA   TRP  95           HA       TRP  95 -11.268   2.222 -17.808
  190    HB2  TRP  95           HB2      TRP  95 -12.048   1.083 -15.676
  191    HB3  TRP  95           HB3      TRP  95 -10.501   0.598 -16.345
  192    HD1  TRP  95           HD1      TRP  95  -8.449   0.706 -14.837
  193    HE1  TRP  95           HE1      TRP  95  -8.066   1.219 -12.354
  194    HE3  TRP  95           HE3      TRP  95 -13.022   2.777 -13.715
  195    HZ2  TRP  95           HZ2      TRP  95  -9.556   2.309 -10.156
  196    HZ3  TRP  95           HZ3      TRP  95 -13.486   3.549 -11.413
  197    HH2  TRP  95           HH2      TRP  95 -11.791   3.290  -9.640
  198    H    LEU  96           H        LEU  96 -10.981   5.007 -15.724
  199    HA   LEU  96           HA       LEU  96 -13.745   5.212 -15.013
  200    HB2  LEU  96           HB2      LEU  96 -11.599   6.478 -14.112
  201    HB3  LEU  96           HB3      LEU  96 -11.966   7.618 -15.407
  202    HG   LEU  96           HG       LEU  96 -14.376   7.705 -14.367
  203   HD11  LEU  96          HD11      LEU  96 -12.849   6.595 -11.966
  204   HD12  LEU  96          HD12      LEU  96 -14.543   7.135 -12.020
  205   HD13  LEU  96          HD13      LEU  96 -14.045   5.677 -12.891
  206   HD21  LEU  96          HD21      LEU  96 -11.991   8.760 -12.819
  207   HD22  LEU  96          HD22      LEU  96 -12.822   9.560 -14.172
  208   HD23  LEU  96          HD23      LEU  96 -13.668   9.319 -12.638
  209    H    GLY  97           H        GLY  97 -12.169   5.824 -18.051
  210    HA2  GLY  97           HA2      GLY  97 -12.907   6.595 -20.095
  211    HA3  GLY  97           HA3      GLY  97 -14.461   5.937 -19.593
  212    H    ASN  98           H        ASN  98 -16.068   7.356 -19.828
  213    HA   ASN  98           HA       ASN  98 -15.648  10.275 -19.291
  214    HB2  ASN  98           HB2      ASN  98 -17.074   8.956 -21.642
  215    HB3  ASN  98           HB3      ASN  98 -17.129  10.676 -21.284
  216   HD21  ASN  98          HD22      ASN  98 -15.369   8.292 -22.982
  217   HD22  ASN  98          HD21      ASN  98 -13.984   9.311 -23.354
  218    H    ASP  99           H        ASP  99 -17.146   7.812 -17.888
  219    HA   ASP  99           HA       ASP  99 -19.424   9.450 -16.973
  220    HB2  ASP  99           HB2      ASP  99 -20.349   8.296 -18.919
  221    HB3  ASP  99           HB3      ASP  99 -19.849   6.737 -18.263
  222    HA   PRO 100           HA       PRO 100 -16.997   7.317 -13.603
  223    HB2  PRO 100           HB2      PRO 100 -18.325   9.605 -12.183
  224    HB3  PRO 100           HB3      PRO 100 -16.694   8.883 -11.964
  225    HG2  PRO 100           HG2      PRO 100 -16.983  11.164 -13.394
  226    HG3  PRO 100           HG3      PRO 100 -15.891   9.866 -13.978
  227    HD2  PRO 100           HD2      PRO 100 -18.696  10.512 -14.896
  228    HD3  PRO 100           HD3      PRO 100 -17.263  10.051 -15.856
  229    H    ALA 101           H        ALA 101 -20.470   8.134 -13.677
  230    HA   ALA 101           HA       ALA 101 -21.285   6.936 -11.285
  231    HB1  ALA 101           HB1      ALA 101 -23.518   6.932 -12.308
  232    HB2  ALA 101           HB2      ALA 101 -22.661   8.443 -12.671
  233    HB3  ALA 101           HB3      ALA 101 -22.800   7.179 -13.914
  234    H    ALA 102           H        ALA 102 -20.327   5.267 -14.233
  235    HA   ALA 102           HA       ALA 102 -21.657   2.767 -13.694
  236    HB1  ALA 102           HB1      ALA 102 -19.216   3.459 -15.382
  237    HB2  ALA 102           HB2      ALA 102 -20.123   1.931 -15.450
  238    HB3  ALA 102           HB3      ALA 102 -20.910   3.448 -15.927
  239    H    PHE 103           H        PHE 103 -18.728   4.153 -12.380
  240    HA   PHE 103           HA       PHE 103 -18.097   1.621 -10.931
  241    HB2  PHE 103           HB2      PHE 103 -15.620   2.865 -11.441
  242    HB3  PHE 103           HB3      PHE 103 -16.223   1.344 -12.055
  243    HD1  PHE 103           HD1      PHE 103 -16.411   5.021 -12.783
  244    HD2  PHE 103           HD2      PHE 103 -16.401   1.012 -14.373
  245    HE1  PHE 103           HE1      PHE 103 -16.576   5.916 -15.084
  246    HE2  PHE 103           HE2      PHE 103 -16.485   1.919 -16.673
  247    HZ   PHE 103           HZ       PHE 103 -16.584   4.382 -17.037
  248    H    LEU 104           H        LEU 104 -18.769   4.912 -10.559
  249    HA   LEU 104           HA       LEU 104 -17.357   5.612  -8.202
  250    HB2  LEU 104           HB2      LEU 104 -19.869   6.352  -9.594
  251    HB3  LEU 104           HB3      LEU 104 -19.948   6.591  -7.855
  252    HG   LEU 104           HG       LEU 104 -17.747   7.715  -9.601
  253   HD11  LEU 104          HD11      LEU 104 -19.932   8.678 -10.227
  254   HD12  LEU 104          HD12      LEU 104 -20.248   9.079  -8.521
  255   HD13  LEU 104          HD13      LEU 104 -18.923   9.873  -9.403
  256   HD21  LEU 104          HD21      LEU 104 -18.594   8.280  -6.720
  257   HD22  LEU 104          HD22      LEU 104 -17.042   7.603  -7.266
  258   HD23  LEU 104          HD23      LEU 104 -17.439   9.271  -7.631
  259    H    ILE 105           H        ILE 105 -17.481   4.933  -6.095
  260    HA   ILE 105           HA       ILE 105 -19.019   2.535  -5.407
  261    HB   ILE 105           HB       ILE 105 -17.326   4.352  -3.660
  262   HG12  ILE 105          HG12      ILE 105 -16.716   1.579  -4.798
  263   HG13  ILE 105          HG13      ILE 105 -16.144   3.072  -5.532
  264   HG21  ILE 105          HG21      ILE 105 -18.668   1.644  -3.203
  265   HG22  ILE 105          HG22      ILE 105 -17.495   2.377  -2.079
  266   HG23  ILE 105          HG23      ILE 105 -19.042   3.160  -2.346
  267   HD11  ILE 105          HD11      ILE 105 -15.094   3.681  -3.310
  268   HD12  ILE 105          HD12      ILE 105 -15.393   2.003  -2.803
  269   HD13  ILE 105          HD13      ILE 105 -14.354   2.321  -4.201
  270    H    GLN 106           H        GLN 106 -21.062   2.480  -4.840
  271    HA   GLN 106           HA       GLN 106 -22.498   4.862  -3.763
  272    HB2  GLN 106           HB2      GLN 106 -23.111   3.201  -6.246
  273    HB3  GLN 106           HB3      GLN 106 -24.319   4.240  -5.481
  274    HG2  GLN 106           HG2      GLN 106 -23.143   6.236  -6.007
  275    HG3  GLN 106           HG3      GLN 106 -21.661   5.376  -6.408
  276   HE21  GLN 106          HE22      GLN 106 -21.539   4.133  -8.397
  277   HE22  GLN 106          HE21      GLN 106 -22.601   4.558  -9.737
  278    HA   PRO 107           HA       PRO 107 -24.500   2.027  -1.032
  279    HB2  PRO 107           HB2      PRO 107 -27.125   3.266  -1.887
  280    HB3  PRO 107           HB3      PRO 107 -26.547   2.886  -0.228
  281    HG2  PRO 107           HG2      PRO 107 -26.340   5.406  -1.133
  282    HG3  PRO 107           HG3      PRO 107 -24.924   4.650  -0.318
  283    HD2  PRO 107           HD2      PRO 107 -25.424   4.958  -3.295
  284    HD3  PRO 107           HD3      PRO 107 -23.950   5.313  -2.338
  285    H    ASP 108           H        ASP 108 -25.485   1.812  -4.307
  286    HA   ASP 108           HA       ASP 108 -27.076  -0.482  -4.307
  287    HB2  ASP 108           HB2      ASP 108 -26.646   1.019  -6.240
  288    HB3  ASP 108           HB3      ASP 108 -25.000   0.396  -6.333
  289    H    LEU 109           H        LEU 109 -23.838  -0.136  -3.391
  290    HA   LEU 109           HA       LEU 109 -23.342  -3.023  -3.134
  291    HB2  LEU 109           HB2      LEU 109 -21.426  -0.856  -4.115
  292    HB3  LEU 109           HB3      LEU 109 -20.882  -2.445  -3.620
  293    HG   LEU 109           HG       LEU 109 -22.770  -1.906  -5.958
  294   HD11  LEU 109          HD11      LEU 109 -20.497  -1.055  -6.352
  295   HD12  LEU 109          HD12      LEU 109 -19.813  -2.632  -5.904
  296   HD13  LEU 109          HD13      LEU 109 -20.826  -2.475  -7.354
  297   HD21  LEU 109          HD21      LEU 109 -22.260  -4.262  -6.579
  298   HD22  LEU 109          HD22      LEU 109 -21.362  -4.469  -5.057
  299   HD23  LEU 109          HD23      LEU 109 -23.115  -4.173  -5.037
  300    HA   PRO 110           HA       PRO 110 -22.362  -1.914   1.065
  301    HB2  PRO 110           HB2      PRO 110 -20.239  -3.570   1.707
  302    HB3  PRO 110           HB3      PRO 110 -21.951  -4.086   1.603
  303    HG2  PRO 110           HG2      PRO 110 -19.790  -4.339  -0.503
  304    HG3  PRO 110           HG3      PRO 110 -20.973  -5.577   0.029
  305    HD2  PRO 110           HD2      PRO 110 -21.365  -4.108  -2.218
  306    HD3  PRO 110           HD3      PRO 110 -22.736  -4.522  -1.154
  307    H    ALA 111           H        ALA 111 -21.427  -0.098   1.743
  308    HA   ALA 111           HA       ALA 111 -18.664   0.671   0.950
  309    HB1  ALA 111           HB1      ALA 111 -20.225   1.485  -0.803
  310    HB2  ALA 111           HB2      ALA 111 -21.190   2.315   0.433
  311    HB3  ALA 111           HB3      ALA 111 -19.529   2.842   0.104
  312    H    ILE 112           H        ILE 112 -18.071   2.816   1.986
  313    HA   ILE 112           HA       ILE 112 -18.658   2.745   4.834
  314    HB   ILE 112           HB       ILE 112 -16.372   2.843   3.982
  315   HG12  ILE 112          HG12      ILE 112 -15.390   4.489   5.445
  316   HG13  ILE 112          HG13      ILE 112 -16.909   5.361   5.601
  317   HG21  ILE 112          HG21      ILE 112 -16.891   5.688   3.030
  318   HG22  ILE 112          HG22      ILE 112 -15.347   4.821   3.028
  319   HG23  ILE 112          HG23      ILE 112 -16.664   4.267   1.992
  320   HD11  ILE 112          HD11      ILE 112 -17.911   3.470   6.813
  321   HD12  ILE 112          HD12      ILE 112 -16.454   2.485   6.522
  322   HD13  ILE 112          HD13      ILE 112 -16.371   3.920   7.562
  323    H    LEU 113           H        LEU 113 -20.833   3.197   3.879
  324    HA   LEU 113           HA       LEU 113 -21.739   5.940   3.590
  325    HB2  LEU 113           HB2      LEU 113 -22.821   3.891   2.624
  326    HB3  LEU 113           HB3      LEU 113 -23.237   3.374   4.253
  327    HG   LEU 113           HG       LEU 113 -24.735   5.339   4.511
  328   HD11  LEU 113          HD11      LEU 113 -23.652   6.982   3.042
  329   HD12  LEU 113          HD12      LEU 113 -23.949   5.951   1.626
  330   HD13  LEU 113          HD13      LEU 113 -25.303   6.701   2.500
  331   HD21  LEU 113          HD21      LEU 113 -25.203   3.738   1.966
  332   HD22  LEU 113          HD22      LEU 113 -25.619   3.230   3.616
  333   HD23  LEU 113          HD23      LEU 113 -26.442   4.614   2.891
  334    H    GLU 114           H        GLU 114 -20.983   3.982   6.325
  335    HA   GLU 114           HA       GLU 114 -22.673   4.873   8.389
  336    HB2  GLU 114           HB2      GLU 114 -19.761   4.103   8.625
  337    HB3  GLU 114           HB3      GLU 114 -20.970   4.175   9.913
  338    HG2  GLU 114           HG2      GLU 114 -21.036   2.265   7.536
  339    HG3  GLU 114           HG3      GLU 114 -20.504   1.868   9.160
  Start of MODEL   14
    1    H1   MET  71           H1       MET  71  -7.461   9.519  13.380
    2    H2   MET  71           H2       MET  71  -7.835   7.964  13.050
    3    H3   MET  71           H3       MET  71  -6.366   8.549  12.642
    4    HA   MET  71           HA       MET  71  -8.941   9.437  11.479
    5    HB2  MET  71           HB2      MET  71  -6.081  10.240  10.748
    6    HB3  MET  71           HB3      MET  71  -7.494  10.598   9.760
    7    HG2  MET  71           HG2      MET  71  -6.985  11.623  12.574
    8    HG3  MET  71           HG3      MET  71  -6.850  12.536  11.084
    9    HE1  MET  71           HE1      MET  71  -9.406  11.986   9.346
   10    HE2  MET  71           HE2      MET  71 -10.503  13.217  10.001
   11    HE3  MET  71           HE3      MET  71  -8.788  13.605   9.764
   12    H    SER  72           H        SER  72  -9.461   8.665   9.389
   13    HA   SER  72           HA       SER  72  -7.775   6.649   8.071
   14    HB2  SER  72           HB2      SER  72  -9.129   5.430   9.840
   15    HB3  SER  72           HB3      SER  72 -10.592   5.901   8.959
   16    HG   SER  72           HG       SER  72  -9.764   3.799   8.359
   17    H    THR  73           H        THR  73  -8.912   5.858   6.029
   18    HA   THR  73           HA       THR  73 -10.842   7.707   4.813
   19    HB   THR  73           HB       THR  73  -8.890   8.908   4.522
   20    HG1  THR  73           HG1      THR  73  -9.124   9.257   2.333
   21   HG21  THR  73          HG21      THR  73  -7.137   7.138   4.399
   22   HG22  THR  73          HG22      THR  73  -7.798   6.595   2.837
   23   HG23  THR  73          HG23      THR  73  -7.057   8.203   2.990
   24    H    VAL  74           H        VAL  74 -11.347   6.977   2.502
   25    HA   VAL  74           HA       VAL  74 -11.013   4.082   2.003
   26    HB   VAL  74           HB       VAL  74 -13.454   3.804   1.584
   27   HG11  VAL  74          HG11      VAL  74 -12.822   4.516   4.470
   28   HG12  VAL  74          HG12      VAL  74 -14.102   3.437   3.881
   29   HG13  VAL  74          HG13      VAL  74 -12.401   2.985   3.670
   30   HG21  VAL  74          HG21      VAL  74 -15.083   5.303   2.603
   31   HG22  VAL  74          HG22      VAL  74 -13.807   6.416   3.113
   32   HG23  VAL  74          HG23      VAL  74 -14.148   6.170   1.384
   33    HA   PRO  75           HA       PRO  75 -10.935   5.239  -2.321
   34    HB2  PRO  75           HB2      PRO  75 -12.794   2.933  -2.769
   35    HB3  PRO  75           HB3      PRO  75 -11.290   3.377  -3.640
   36    HG2  PRO  75           HG2      PRO  75 -11.294   1.376  -1.811
   37    HG3  PRO  75           HG3      PRO  75  -9.936   2.551  -1.866
   38    HD2  PRO  75           HD2      PRO  75 -12.306   2.504   0.014
   39    HD3  PRO  75           HD3      PRO  75 -10.576   2.804   0.370
   40    H    LYS  76           H        LYS  76 -12.145   5.944  -4.064
   41    HA   LYS  76           HA       LYS  76 -14.931   6.920  -3.508
   42    HB2  LYS  76           HB2      LYS  76 -13.243   8.631  -3.642
   43    HB3  LYS  76           HB3      LYS  76 -12.809   8.161  -5.293
   44    HG2  LYS  76           HG2      LYS  76 -15.066   8.780  -6.072
   45    HG3  LYS  76           HG3      LYS  76 -15.572   9.113  -4.405
   46    HD2  LYS  76           HD2      LYS  76 -13.928  10.934  -4.230
   47    HD3  LYS  76           HD3      LYS  76 -13.326  10.588  -5.866
   48    HE2  LYS  76           HE2      LYS  76 -15.510  11.149  -6.839
   49    HE3  LYS  76           HE3      LYS  76 -16.211  11.363  -5.227
   50    HZ1  LYS  76           HZ1      LYS  76 -15.607  13.503  -6.212
   51    HZ2  LYS  76           HZ2      LYS  76 -14.705  13.253  -4.880
   52    HZ3  LYS  76           HZ3      LYS  76 -14.041  13.064  -6.366
   53    H    TYR  77           H        TYR  77 -12.939   5.034  -5.677
   54    HA   TYR  77           HA       TYR  77 -15.318   4.353  -7.357
   55    HB2  TYR  77           HB2      TYR  77 -12.491   5.066  -8.233
   56    HB3  TYR  77           HB3      TYR  77 -13.655   4.270  -9.271
   57    HD1  TYR  77           HD1      TYR  77 -12.933   7.451  -7.478
   58    HD2  TYR  77           HD2      TYR  77 -15.327   5.437 -10.439
   59    HE1  TYR  77           HE1      TYR  77 -13.730   9.653  -8.321
   60    HE2  TYR  77           HE2      TYR  77 -16.073   7.630 -11.317
   61    HH   TYR  77           HH       TYR  77 -15.012  10.759  -9.903
   62    H    ARG  78           H        ARG  78 -15.366   2.312  -8.202
   63    HA   ARG  78           HA       ARG  78 -13.083   0.461  -7.923
   64    HB2  ARG  78           HB2      ARG  78 -14.471   0.081  -5.897
   65    HB3  ARG  78           HB3      ARG  78 -15.884  -0.203  -6.915
   66    HG2  ARG  78           HG2      ARG  78 -14.774  -2.198  -7.920
   67    HG3  ARG  78           HG3      ARG  78 -13.295  -1.838  -7.024
   68    HD2  ARG  78           HD2      ARG  78 -14.447  -3.610  -5.899
   69    HD3  ARG  78           HD3      ARG  78 -14.530  -2.155  -4.886
   70    HE   ARG  78           HE       ARG  78 -16.859  -2.422  -6.617
   71   HH11  ARG  78          HH21      ARG  78 -15.577  -3.742  -3.632
   72   HH12  ARG  78          HH22      ARG  78 -17.158  -4.147  -3.028
   73   HH21  ARG  78          HH11      ARG  78 -18.850  -2.950  -5.780
   74   HH22  ARG  78          HH12      ARG  78 -18.960  -3.711  -4.224
   75    H    ASP  79           H        ASP  79 -12.721  -0.238  -9.889
   76    HA   ASP  79           HA       ASP  79 -14.477  -0.085 -12.162
   77    HB2  ASP  79           HB2      ASP  79 -12.113  -0.019 -12.439
   78    HB3  ASP  79           HB3      ASP  79 -11.889  -1.547 -11.591
   79    HA   PRO  80           HA       PRO  80 -16.593  -3.938 -10.876
   80    HB2  PRO  80           HB2      PRO  80 -18.520  -4.119 -12.808
   81    HB3  PRO  80           HB3      PRO  80 -18.580  -2.936 -11.459
   82    HG2  PRO  80           HG2      PRO  80 -17.573  -2.484 -14.287
   83    HG3  PRO  80           HG3      PRO  80 -18.732  -1.483 -13.350
   84    HD2  PRO  80           HD2      PRO  80 -16.090  -0.859 -13.491
   85    HD3  PRO  80           HD3      PRO  80 -17.020  -0.609 -11.982
   86    H    ALA  81           H        ALA  81 -14.980  -3.437 -13.970
   87    HA   ALA  81           HA       ALA  81 -15.365  -6.130 -14.967
   88    HB1  ALA  81           HB1      ALA  81 -13.412  -3.933 -15.774
   89    HB2  ALA  81           HB2      ALA  81 -13.785  -5.395 -16.707
   90    HB3  ALA  81           HB3      ALA  81 -15.045  -4.174 -16.422
   91    H    THR  82           H        THR  82 -12.761  -4.555 -13.110
   92    HA   THR  82           HA       THR  82 -11.294  -7.179 -12.902
   93    HB   THR  82           HB       THR  82  -9.274  -6.043 -12.883
   94    HG1  THR  82           HG1      THR  82 -10.790  -3.676 -13.347
   95   HG21  THR  82          HG21      THR  82  -9.137  -5.453 -15.189
   96   HG22  THR  82          HG22      THR  82 -10.342  -6.754 -14.993
   97   HG23  THR  82          HG23      THR  82 -10.877  -5.077 -15.268
   98    H    GLY  83           H        GLY  83 -12.709  -4.619 -10.993
   99    HA2  GLY  83           HA2      GLY  83 -12.955  -4.580  -8.689
  100    HA3  GLY  83           HA3      GLY  83 -11.732  -5.835  -8.497
  101    H    LYS  84           H        LYS  84 -10.385  -3.465 -10.470
  102    HA   LYS  84           HA       LYS  84  -8.537  -2.384  -8.549
  103    HB2  LYS  84           HB2      LYS  84  -9.377  -1.532 -11.350
  104    HB3  LYS  84           HB3      LYS  84  -8.109  -0.707 -10.419
  105    HG2  LYS  84           HG2      LYS  84  -6.841  -2.779 -10.197
  106    HG3  LYS  84           HG3      LYS  84  -8.078  -3.687 -11.073
  107    HD2  LYS  84           HD2      LYS  84  -7.700  -2.240 -13.084
  108    HD3  LYS  84           HD3      LYS  84  -6.396  -1.405 -12.206
  109    HE2  LYS  84           HE2      LYS  84  -5.199  -3.572 -11.928
  110    HE3  LYS  84           HE3      LYS  84  -6.494  -4.401 -12.796
  111    HZ1  LYS  84           HZ1      LYS  84  -4.624  -3.887 -14.272
  112    HZ2  LYS  84           HZ2      LYS  84  -5.942  -3.057 -14.770
  113    HZ3  LYS  84           HZ3      LYS  84  -4.739  -2.294 -13.963
  114    H    THR  85           H        THR  85  -8.384  -0.350  -7.612
  115    HA   THR  85           HA       THR  85 -10.915   1.243  -7.399
  116    HB   THR  85           HB       THR  85 -10.359   1.542  -4.968
  117    HG1  THR  85           HG1      THR  85  -8.959  -0.035  -4.062
  118   HG21  THR  85          HG21      THR  85 -12.099  -0.050  -5.656
  119   HG22  THR  85          HG22      THR  85 -10.884  -1.341  -5.789
  120   HG23  THR  85          HG23      THR  85 -11.241  -0.603  -4.211
  121    H    TRP  86           H        TRP  86 -10.742   3.378  -6.559
  122    HA   TRP  86           HA       TRP  86  -8.127   4.709  -6.480
  123    HB2  TRP  86           HB2      TRP  86  -8.612   4.606  -8.883
  124    HB3  TRP  86           HB3      TRP  86 -10.178   5.354  -8.628
  125    HD1  TRP  86           HD1      TRP  86  -6.463   6.289  -7.901
  126    HE1  TRP  86           HE1      TRP  86  -6.138   8.797  -8.374
  127    HE3  TRP  86           HE3      TRP  86 -11.226   7.473  -9.291
  128    HZ2  TRP  86           HZ2      TRP  86  -7.715  11.000  -9.371
  129    HZ3  TRP  86           HZ3      TRP  86 -11.812   9.791  -9.978
  130    HH2  TRP  86           HH2      TRP  86 -10.091  11.561  -9.965
  131    H    SER  87           H        SER  87  -8.346   7.010  -5.796
  132    HA   SER  87           HA       SER  87 -10.789   7.431  -4.094
  133    HB2  SER  87           HB2      SER  87  -7.945   7.936  -3.216
  134    HB3  SER  87           HB3      SER  87  -9.422   7.870  -2.232
  135    HG   SER  87           HG       SER  87  -8.073   5.937  -2.126
  136    H    GLY  88           H        GLY  88  -9.695   8.945  -6.640
  137    HA2  GLY  88           HA2      GLY  88 -10.379  11.082  -7.279
  138    HA3  GLY  88           HA3      GLY  88 -10.656  11.517  -5.613
  139    H    ARG  89           H        ARG  89  -7.468  10.299  -6.245
  140    HA   ARG  89           HA       ARG  89  -6.294  13.042  -6.511
  141    HB2  ARG  89           HB2      ARG  89  -5.522  10.952  -4.422
  142    HB3  ARG  89           HB3      ARG  89  -4.612  12.426  -4.770
  143    HG2  ARG  89           HG2      ARG  89  -6.598  13.799  -4.133
  144    HG3  ARG  89           HG3      ARG  89  -7.457  12.308  -3.688
  145    HD2  ARG  89           HD2      ARG  89  -5.711  11.785  -2.023
  146    HD3  ARG  89           HD3      ARG  89  -4.835  13.265  -2.475
  147    HE   ARG  89           HE       ARG  89  -7.512  13.955  -1.763
  148   HH11  ARG  89          HH21      ARG  89  -4.575  12.892  -0.165
  149   HH12  ARG  89          HH22      ARG  89  -5.003  13.660   1.340
  150   HH21  ARG  89          HH11      ARG  89  -7.991  14.923   0.187
  151   HH22  ARG  89          HH12      ARG  89  -6.895  14.773   1.529
  152    H    GLY  90           H        GLY  90  -4.178  13.136  -7.344
  153    HA2  GLY  90           HA2      GLY  90  -2.466  12.517  -8.803
  154    HA3  GLY  90           HA3      GLY  90  -2.803  10.823  -8.459
  155    H    ARG  91           H        ARG  91  -2.299  10.729 -10.836
  156    HA   ARG  91           HA       ARG  91  -4.063  11.725 -12.879
  157    HB2  ARG  91           HB2      ARG  91  -2.296   9.281 -12.932
  158    HB3  ARG  91           HB3      ARG  91  -3.110  10.040 -14.312
  159    HG2  ARG  91           HG2      ARG  91  -1.043  11.446 -12.578
  160    HG3  ARG  91           HG3      ARG  91  -0.681  10.615 -14.093
  161    HD2  ARG  91           HD2      ARG  91  -2.231  12.145 -15.295
  162    HD3  ARG  91           HD3      ARG  91  -2.514  13.027 -13.778
  163    HE   ARG  91           HE       ARG  91   0.287  12.905 -14.195
  164   HH11  ARG  91          HH11      ARG  91  -2.453  14.477 -15.721
  165   HH12  ARG  91          HH12      ARG  91  -1.480  15.800 -16.305
  166   HH21  ARG  91          HH21      ARG  91   1.462  14.621 -14.970
  167   HH22  ARG  91          HH22      ARG  91   0.686  15.870 -15.896
  168    H    GLN  92           H        GLN  92  -5.973  11.077 -13.635
  169    HA   GLN  92           HA       GLN  92  -7.614   9.277 -12.161
  170    HB2  GLN  92           HB2      GLN  92  -8.343  11.292 -13.446
  171    HB3  GLN  92           HB3      GLN  92  -8.075  10.401 -14.953
  172    HG2  GLN  92           HG2      GLN  92  -9.761   8.708 -14.207
  173    HG3  GLN  92           HG3      GLN  92 -10.000   9.639 -12.718
  174   HE21  GLN  92          HE22      GLN  92 -11.247  11.627 -12.830
  175   HE22  GLN  92          HE21      GLN  92 -12.106  12.056 -14.297
  176    HA   PRO  93           HA       PRO  93  -6.483   5.310 -14.061
  177    HB2  PRO  93           HB2      PRO  93  -9.336   4.607 -13.464
  178    HB3  PRO  93           HB3      PRO  93  -7.831   3.695 -13.118
  179    HG2  PRO  93           HG2      PRO  93  -9.148   5.094 -11.179
  180    HG3  PRO  93           HG3      PRO  93  -7.357   5.025 -11.226
  181    HD2  PRO  93           HD2      PRO  93  -9.186   7.255 -12.083
  182    HD3  PRO  93           HD3      PRO  93  -7.580   7.319 -11.303
  183    H    ALA  94           H        ALA  94  -6.726   4.218 -16.022
  184    HA   ALA  94           HA       ALA  94  -7.822   5.650 -18.197
  185    HB1  ALA  94           HB1      ALA  94  -7.106   3.697 -19.519
  186    HB2  ALA  94           HB2      ALA  94  -5.878   4.151 -18.323
  187    HB3  ALA  94           HB3      ALA  94  -6.919   2.740 -18.029
  188    H    TRP  95           H        TRP  95  -9.215   2.848 -16.451
  189    HA   TRP  95           HA       TRP  95 -11.421   2.359 -18.230
  190    HB2  TRP  95           HB2      TRP  95 -12.429   1.349 -16.048
  191    HB3  TRP  95           HB3      TRP  95 -11.007   0.613 -16.778
  192    HD1  TRP  95           HD1      TRP  95  -8.808   0.566 -15.427
  193    HE1  TRP  95           HE1      TRP  95  -8.226   0.980 -12.964
  194    HE3  TRP  95           HE3      TRP  95 -13.191   2.821 -13.906
  195    HZ2  TRP  95           HZ2      TRP  95  -9.476   2.136 -10.642
  196    HZ3  TRP  95           HZ3      TRP  95 -13.413   3.611 -11.582
  197    HH2  TRP  95           HH2      TRP  95 -11.591   3.241  -9.944
  198    H    LEU  96           H        LEU  96 -10.974   4.717 -15.673
  199    HA   LEU  96           HA       LEU  96 -13.732   5.182 -15.118
  200    HB2  LEU  96           HB2      LEU  96 -11.575   5.482 -13.736
  201    HB3  LEU  96           HB3      LEU  96 -11.407   7.036 -14.529
  202    HG   LEU  96           HG       LEU  96 -13.800   6.179 -12.828
  203   HD11  LEU  96          HD11      LEU  96 -11.697   6.205 -11.551
  204   HD12  LEU  96          HD12      LEU  96 -11.353   7.854 -12.141
  205   HD13  LEU  96          HD13      LEU  96 -12.732   7.554 -11.084
  206   HD21  LEU  96          HD21      LEU  96 -14.562   8.033 -14.098
  207   HD22  LEU  96          HD22      LEU  96 -14.006   8.761 -12.606
  208   HD23  LEU  96          HD23      LEU  96 -12.980   8.843 -14.053
  209    H    GLY  97           H        GLY  97 -11.494   6.674 -17.378
  210    HA2  GLY  97           HA2      GLY  97 -12.697   9.200 -17.695
  211    HA3  GLY  97           HA3      GLY  97 -11.506   8.474 -18.766
  212    H    ASN  98           H        ASN  98 -14.941   7.647 -18.111
  213    HA   ASN  98           HA       ASN  98 -15.757   8.605 -20.786
  214    HB2  ASN  98           HB2      ASN  98 -15.039   6.248 -21.147
  215    HB3  ASN  98           HB3      ASN  98 -16.180   5.702 -19.916
  216   HD21  ASN  98          HD22      ASN  98 -18.340   5.420 -20.509
  217   HD22  ASN  98          HD21      ASN  98 -18.925   5.755 -22.143
  218    H    ASP  99           H        ASP  99 -16.955   6.845 -17.859
  219    HA   ASP  99           HA       ASP  99 -19.150   8.757 -17.521
  220    HB2  ASP  99           HB2      ASP  99 -20.937   7.187 -17.733
  221    HB3  ASP  99           HB3      ASP  99 -20.089   7.402 -19.242
  222    HA   PRO 100           HA       PRO 100 -17.073   7.498 -13.543
  223    HB2  PRO 100           HB2      PRO 100 -18.873   9.806 -12.853
  224    HB3  PRO 100           HB3      PRO 100 -17.279   9.340 -12.177
  225    HG2  PRO 100           HG2      PRO 100 -17.398  11.224 -14.103
  226    HG3  PRO 100           HG3      PRO 100 -16.149   9.938 -14.198
  227    HD2  PRO 100           HD2      PRO 100 -18.738  10.165 -15.716
  228    HD3  PRO 100           HD3      PRO 100 -17.148   9.565 -16.269
  229    H    ALA 101           H        ALA 101 -20.623   7.991 -13.883
  230    HA   ALA 101           HA       ALA 101 -21.392   6.843 -11.438
  231    HB1  ALA 101           HB1      ALA 101 -22.879   6.895 -14.099
  232    HB2  ALA 101           HB2      ALA 101 -23.609   6.666 -12.496
  233    HB3  ALA 101           HB3      ALA 101 -22.836   8.206 -12.897
  234    H    ALA 102           H        ALA 102 -20.239   5.127 -14.297
  235    HA   ALA 102           HA       ALA 102 -21.438   2.567 -13.721
  236    HB1  ALA 102           HB1      ALA 102 -20.602   3.199 -15.932
  237    HB2  ALA 102           HB2      ALA 102 -18.947   3.335 -15.300
  238    HB3  ALA 102           HB3      ALA 102 -19.756   1.752 -15.341
  239    H    PHE 103           H        PHE 103 -18.697   4.199 -12.303
  240    HA   PHE 103           HA       PHE 103 -17.971   1.756 -10.746
  241    HB2  PHE 103           HB2      PHE 103 -15.529   3.012 -11.206
  242    HB3  PHE 103           HB3      PHE 103 -16.110   1.511 -11.880
  243    HD1  PHE 103           HD2      PHE 103 -16.354   5.216 -12.582
  244    HD2  PHE 103           HD1      PHE 103 -16.073   1.220 -14.188
  245    HE1  PHE 103           HE2      PHE 103 -16.348   6.122 -14.883
  246    HE2  PHE 103           HE1      PHE 103 -16.033   2.145 -16.481
  247    HZ   PHE 103           HZ       PHE 103 -16.191   4.596 -16.837
  248    H    LEU 104           H        LEU 104 -18.736   5.071 -10.516
  249    HA   LEU 104           HA       LEU 104 -17.368   5.826  -8.154
  250    HB2  LEU 104           HB2      LEU 104 -19.896   6.544  -9.536
  251    HB3  LEU 104           HB3      LEU 104 -19.864   6.885  -7.810
  252    HG   LEU 104           HG       LEU 104 -17.840   7.886  -9.807
  253   HD11  LEU 104          HD11      LEU 104 -18.901  10.072  -9.500
  254   HD12  LEU 104          HD12      LEU 104 -20.068   8.891 -10.116
  255   HD13  LEU 104          HD13      LEU 104 -20.095   9.355  -8.394
  256   HD21  LEU 104          HD21      LEU 104 -18.198   8.493  -6.833
  257   HD22  LEU 104          HD22      LEU 104 -16.761   7.795  -7.610
  258   HD23  LEU 104          HD23      LEU 104 -17.196   9.466  -7.931
  259    H    ILE 105           H        ILE 105 -17.439   5.188  -6.089
  260    HA   ILE 105           HA       ILE 105 -19.232   3.016  -5.218
  261    HB   ILE 105           HB       ILE 105 -17.099   4.628  -3.755
  262   HG12  ILE 105          HG12      ILE 105 -17.115   1.686  -4.570
  263   HG13  ILE 105          HG13      ILE 105 -16.402   2.957  -5.558
  264   HG21  ILE 105          HG21      ILE 105 -18.780   2.270  -2.753
  265   HG22  ILE 105          HG22      ILE 105 -17.395   2.981  -1.901
  266   HG23  ILE 105          HG23      ILE 105 -18.843   3.937  -2.135
  267   HD11  ILE 105          HD11      ILE 105 -14.616   2.024  -4.305
  268   HD12  ILE 105          HD12      ILE 105 -14.970   3.631  -3.623
  269   HD13  ILE 105          HD13      ILE 105 -15.502   2.155  -2.777
  270    H    GLN 106           H        GLN 106 -21.101   3.272  -4.165
  271    HA   GLN 106           HA       GLN 106 -21.953   5.910  -3.075
  272    HB2  GLN 106           HB2      GLN 106 -23.459   4.190  -5.091
  273    HB3  GLN 106           HB3      GLN 106 -24.185   5.543  -4.241
  274    HG2  GLN 106           HG2      GLN 106 -21.779   5.817  -6.113
  275    HG3  GLN 106           HG3      GLN 106 -23.438   6.008  -6.605
  276   HE21  GLN 106          HE22      GLN 106 -20.854   7.487  -4.596
  277   HE22  GLN 106          HE21      GLN 106 -21.666   9.051  -4.506
  278    HA   PRO 107           HA       PRO 107 -23.146   3.492   0.266
  279    HB2  PRO 107           HB2      PRO 107 -25.165   4.870   1.519
  280    HB3  PRO 107           HB3      PRO 107 -23.487   5.469   1.373
  281    HG2  PRO 107           HG2      PRO 107 -25.851   6.123  -0.418
  282    HG3  PRO 107           HG3      PRO 107 -24.714   7.264   0.370
  283    HD2  PRO 107           HD2      PRO 107 -24.366   6.500  -2.202
  284    HD3  PRO 107           HD3      PRO 107 -22.963   6.697  -1.107
  285    H    ASP 108           H        ASP 108 -25.655   3.777  -2.039
  286    HA   ASP 108           HA       ASP 108 -26.609   1.191  -1.637
  287    HB2  ASP 108           HB2      ASP 108 -27.834   2.162   0.326
  288    HB3  ASP 108           HB3      ASP 108 -28.591   3.334  -0.745
  289    H    LEU 109           H        LEU 109 -27.603   4.368  -2.823
  290    HA   LEU 109           HA       LEU 109 -27.998   3.321  -5.517
  291    HB2  LEU 109           HB2      LEU 109 -30.203   3.381  -4.256
  292    HB3  LEU 109           HB3      LEU 109 -29.984   5.117  -4.058
  293    HG   LEU 109           HG       LEU 109 -30.017   5.319  -6.599
  294   HD11  LEU 109          HD11      LEU 109 -31.036   2.439  -6.420
  295   HD12  LEU 109          HD12      LEU 109 -31.008   3.459  -7.876
  296   HD13  LEU 109          HD13      LEU 109 -29.494   2.920  -7.148
  297   HD21  LEU 109          HD21      LEU 109 -31.989   5.821  -5.220
  298   HD22  LEU 109          HD22      LEU 109 -32.462   5.061  -6.750
  299   HD23  LEU 109          HD23      LEU 109 -32.461   4.112  -5.245
  300    HA   PRO 110           HA       PRO 110 -25.470   6.880  -6.463
  301    HB2  PRO 110           HB2      PRO 110 -27.084   7.105  -8.979
  302    HB3  PRO 110           HB3      PRO 110 -25.304   7.175  -8.723
  303    HG2  PRO 110           HG2      PRO 110 -26.470   4.896  -9.635
  304    HG3  PRO 110           HG3      PRO 110 -25.175   4.821  -8.398
  305    HD2  PRO 110           HD2      PRO 110 -28.165   4.648  -8.003
  306    HD3  PRO 110           HD3      PRO 110 -26.860   3.660  -7.266
  307    H    ALA 111           H        ALA 111 -25.461   8.983  -5.972
  308    HA   ALA 111           HA       ALA 111 -27.889  10.505  -5.485
  309    HB1  ALA 111           HB1      ALA 111 -25.858  10.643  -4.057
  310    HB2  ALA 111           HB2      ALA 111 -24.940  11.304  -5.430
  311    HB3  ALA 111           HB3      ALA 111 -26.287  12.226  -4.727
  312    H    ILE 112           H        ILE 112 -27.973   9.722  -8.044
  313    HA   ILE 112           HA       ILE 112 -27.777  12.158  -9.720
  314    HB   ILE 112           HB       ILE 112 -26.736   9.473 -10.733
  315   HG12  ILE 112          HG12      ILE 112 -25.011  11.831  -9.880
  316   HG13  ILE 112          HG13      ILE 112 -25.169  10.321  -8.964
  317   HG21  ILE 112          HG21      ILE 112 -27.641  11.228 -12.375
  318   HG22  ILE 112          HG22      ILE 112 -26.343  12.306 -11.810
  319   HG23  ILE 112          HG23      ILE 112 -25.961  10.783 -12.644
  320   HD11  ILE 112          HD11      ILE 112 -23.904  10.613 -11.703
  321   HD12  ILE 112          HD12      ILE 112 -23.124  10.199 -10.169
  322   HD13  ILE 112          HD13      ILE 112 -24.259   9.056 -10.912
  323    H    LEU 113           H        LEU 113 -29.932  11.934  -8.895
  324    HA   LEU 113           HA       LEU 113 -31.698  10.205 -10.580
  325    HB2  LEU 113           HB2      LEU 113 -31.053   9.230  -8.324
  326    HB3  LEU 113           HB3      LEU 113 -31.888  10.577  -7.561
  327    HG   LEU 113           HG       LEU 113 -34.050   9.766  -8.442
  328   HD11  LEU 113          HD11      LEU 113 -32.394   7.523  -9.687
  329   HD12  LEU 113          HD12      LEU 113 -34.169   7.539  -9.558
  330   HD13  LEU 113          HD13      LEU 113 -33.352   8.734 -10.568
  331   HD21  LEU 113          HD21      LEU 113 -32.386   7.584  -7.139
  332   HD22  LEU 113          HD22      LEU 113 -33.222   8.908  -6.299
  333   HD23  LEU 113          HD23      LEU 113 -34.162   7.680  -7.158
  334    H    GLU 114           H        GLU 114 -31.060  13.337  -9.883
  335    HA   GLU 114           HA       GLU 114 -33.774  14.285 -10.530
  336    HB2  GLU 114           HB2      GLU 114 -33.791  14.222  -8.141
  337    HB3  GLU 114           HB3      GLU 114 -32.315  15.203  -8.044
  338    HG2  GLU 114           HG2      GLU 114 -33.519  17.095  -9.109
  339    HG3  GLU 114           HG3      GLU 114 -34.957  16.092  -9.291
  Start of MODEL   15
    1    H1   MET  71           H1       MET  71  -4.346   8.335  11.632
    2    H2   MET  71           H2       MET  71  -5.160   9.537  12.387
    3    H3   MET  71           H3       MET  71  -5.901   8.110  12.092
    4    HA   MET  71           HA       MET  71  -6.696   9.761  10.547
    5    HB2  MET  71           HB2      MET  71  -4.629  11.162  10.584
    6    HB3  MET  71           HB3      MET  71  -3.778   9.934   9.649
    7    HG2  MET  71           HG2      MET  71  -4.498  11.773   8.226
    8    HG3  MET  71           HG3      MET  71  -5.285  10.278   7.754
    9    HE1  MET  71           HE1      MET  71  -6.124  13.057  10.568
   10    HE2  MET  71           HE2      MET  71  -5.664  13.903   9.072
   11    HE3  MET  71           HE3      MET  71  -7.339  13.979   9.659
   12    H    SER  72           H        SER  72  -7.682   8.873   8.780
   13    HA   SER  72           HA       SER  72  -6.540   6.455   7.454
   14    HB2  SER  72           HB2      SER  72  -9.294   6.582   8.763
   15    HB3  SER  72           HB3      SER  72  -8.652   5.239   7.800
   16    HG   SER  72           HG       SER  72  -8.410   4.868  10.058
   17    H    THR  73           H        THR  73  -7.675   5.841   5.513
   18    HA   THR  73           HA       THR  73  -9.407   7.897   4.202
   19    HB   THR  73           HB       THR  73  -8.193   7.886   2.248
   20    HG1  THR  73           HG1      THR  73  -6.123   6.883   2.105
   21   HG21  THR  73          HG21      THR  73  -7.527   9.571   3.939
   22   HG22  THR  73          HG22      THR  73  -6.211   8.503   4.474
   23   HG23  THR  73          HG23      THR  73  -6.211   9.168   2.829
   24    H    VAL  74           H        VAL  74 -10.368   7.123   2.172
   25    HA   VAL  74           HA       VAL  74 -10.728   4.189   1.919
   26    HB   VAL  74           HB       VAL  74 -13.212   4.525   1.709
   27   HG11  VAL  74          HG11      VAL  74 -12.127   5.209   4.467
   28   HG12  VAL  74          HG12      VAL  74 -13.690   4.463   4.076
   29   HG13  VAL  74          HG13      VAL  74 -12.186   3.582   3.756
   30   HG21  VAL  74          HG21      VAL  74 -14.299   6.446   2.733
   31   HG22  VAL  74          HG22      VAL  74 -12.735   7.224   3.045
   32   HG23  VAL  74          HG23      VAL  74 -13.299   6.980   1.380
   33    HA   PRO  75           HA       PRO  75 -10.887   5.249  -2.454
   34    HB2  PRO  75           HB2      PRO  75 -12.283   3.187  -3.541
   35    HB3  PRO  75           HB3      PRO  75 -10.628   3.003  -2.891
   36    HG2  PRO  75           HG2      PRO  75 -13.240   2.392  -1.482
   37    HG3  PRO  75           HG3      PRO  75 -11.793   1.341  -1.633
   38    HD2  PRO  75           HD2      PRO  75 -12.238   2.853   0.583
   39    HD3  PRO  75           HD3      PRO  75 -10.586   2.630  -0.062
   40    H    LYS  76           H        LYS  76 -12.298   5.806  -4.133
   41    HA   LYS  76           HA       LYS  76 -15.146   6.535  -3.421
   42    HB2  LYS  76           HB2      LYS  76 -13.134   8.158  -4.983
   43    HB3  LYS  76           HB3      LYS  76 -14.889   8.401  -4.995
   44    HG2  LYS  76           HG2      LYS  76 -14.895   8.769  -2.560
   45    HG3  LYS  76           HG3      LYS  76 -13.145   8.520  -2.509
   46    HD2  LYS  76           HD2      LYS  76 -13.723  10.894  -2.419
   47    HD3  LYS  76           HD3      LYS  76 -12.767  10.526  -3.857
   48    HE2  LYS  76           HE2      LYS  76 -14.717  10.647  -5.298
   49    HE3  LYS  76           HE3      LYS  76 -15.809  10.732  -3.904
   50    HZ1  LYS  76           HZ1      LYS  76 -14.849  12.902  -3.352
   51    HZ2  LYS  76           HZ2      LYS  76 -13.806  12.833  -4.610
   52    HZ3  LYS  76           HZ3      LYS  76 -15.412  12.936  -4.884
   53    H    TYR  77           H        TYR  77 -13.031   4.959  -5.714
   54    HA   TYR  77           HA       TYR  77 -15.385   4.350  -7.450
   55    HB2  TYR  77           HB2      TYR  77 -12.630   5.079  -8.484
   56    HB3  TYR  77           HB3      TYR  77 -14.105   4.866  -9.410
   57    HD1  TYR  77           HD2      TYR  77 -12.209   7.104  -7.147
   58    HD2  TYR  77           HD1      TYR  77 -15.712   6.720  -9.624
   59    HE1  TYR  77           HE2      TYR  77 -12.532   9.562  -7.049
   60    HE2  TYR  77           HE1      TYR  77 -16.013   9.209  -9.536
   61    HH   TYR  77           HH       TYR  77 -13.787  11.364  -7.781
   62    H    ARG  78           H        ARG  78 -15.364   2.273  -8.311
   63    HA   ARG  78           HA       ARG  78 -12.907   0.643  -8.176
   64    HB2  ARG  78           HB2      ARG  78 -14.132   0.294  -6.010
   65    HB3  ARG  78           HB3      ARG  78 -15.514  -0.333  -6.920
   66    HG2  ARG  78           HG2      ARG  78 -14.114  -2.176  -7.809
   67    HG3  ARG  78           HG3      ARG  78 -12.678  -1.456  -7.075
   68    HD2  ARG  78           HD2      ARG  78 -13.897  -1.731  -4.809
   69    HD3  ARG  78           HD3      ARG  78 -15.020  -2.786  -5.695
   70    HE   ARG  78           HE       ARG  78 -12.201  -3.451  -6.129
   71   HH11  ARG  78          HH11      ARG  78 -14.823  -4.058  -3.874
   72   HH12  ARG  78          HH12      ARG  78 -14.065  -5.495  -3.255
   73   HH21  ARG  78          HH21      ARG  78 -11.287  -5.245  -5.289
   74   HH22  ARG  78          HH22      ARG  78 -12.102  -6.155  -4.048
   75    H    ASP  79           H        ASP  79 -12.621  -0.252 -10.060
   76    HA   ASP  79           HA       ASP  79 -14.549  -0.376 -12.190
   77    HB2  ASP  79           HB2      ASP  79 -12.209  -0.177 -12.672
   78    HB3  ASP  79           HB3      ASP  79 -11.824  -1.634 -11.752
   79    HA   PRO  80           HA       PRO  80 -16.302  -4.260 -10.540
   80    HB2  PRO  80           HB2      PRO  80 -18.379  -4.635 -12.267
   81    HB3  PRO  80           HB3      PRO  80 -18.387  -3.377 -10.999
   82    HG2  PRO  80           HG2      PRO  80 -17.649  -3.051 -13.922
   83    HG3  PRO  80           HG3      PRO  80 -18.778  -2.047 -12.950
   84    HD2  PRO  80           HD2      PRO  80 -16.187  -1.322 -13.367
   85    HD3  PRO  80           HD3      PRO  80 -17.003  -1.006 -11.801
   86    H    ALA  81           H        ALA  81 -15.002  -3.807 -13.770
   87    HA   ALA  81           HA       ALA  81 -15.316  -6.537 -14.670
   88    HB1  ALA  81           HB1      ALA  81 -15.203  -4.581 -16.179
   89    HB2  ALA  81           HB2      ALA  81 -13.528  -4.284 -15.676
   90    HB3  ALA  81           HB3      ALA  81 -13.940  -5.770 -16.551
   91    H    THR  82           H        THR  82 -12.703  -4.811 -13.002
   92    HA   THR  82           HA       THR  82 -11.078  -7.341 -12.834
   93    HB   THR  82           HB       THR  82  -9.138  -6.066 -12.824
   94    HG1  THR  82           HG1      THR  82 -10.817  -3.815 -13.317
   95   HG21  THR  82          HG21      THR  82  -9.064  -5.476 -15.138
   96   HG22  THR  82          HG22      THR  82 -10.179  -6.853 -14.933
   97   HG23  THR  82          HG23      THR  82 -10.823  -5.212 -15.197
   98    H    GLY  83           H        GLY  83 -12.519  -4.753 -10.922
   99    HA2  GLY  83           HA2      GLY  83 -12.783  -4.774  -8.610
  100    HA3  GLY  83           HA3      GLY  83 -11.461  -5.928  -8.426
  101    H    LYS  84           H        LYS  84 -10.238  -3.570 -10.435
  102    HA   LYS  84           HA       LYS  84  -8.458  -2.416  -8.499
  103    HB2  LYS  84           HB2      LYS  84  -9.187  -1.647 -11.356
  104    HB3  LYS  84           HB3      LYS  84  -7.926  -0.826 -10.423
  105    HG2  LYS  84           HG2      LYS  84  -6.786  -2.988 -10.034
  106    HG3  LYS  84           HG3      LYS  84  -7.944  -3.800 -11.093
  107    HD2  LYS  84           HD2      LYS  84  -6.200  -1.449 -11.938
  108    HD3  LYS  84           HD3      LYS  84  -5.742  -3.149 -12.167
  109    HE2  LYS  84           HE2      LYS  84  -7.846  -3.486 -13.517
  110    HE3  LYS  84           HE3      LYS  84  -8.183  -1.759 -13.386
  111    HZ1  LYS  84           HZ1      LYS  84  -7.023  -2.274 -15.469
  112    HZ2  LYS  84           HZ2      LYS  84  -6.048  -1.336 -14.546
  113    HZ3  LYS  84           HZ3      LYS  84  -5.761  -2.936 -14.671
  114    H    THR  85           H        THR  85  -8.285  -0.352  -7.645
  115    HA   THR  85           HA       THR  85 -10.849   1.170  -7.344
  116    HB   THR  85           HB       THR  85 -10.027   1.607  -4.991
  117    HG1  THR  85           HG1      THR  85  -8.482   0.127  -4.195
  118   HG21  THR  85          HG21      THR  85 -10.724  -0.567  -4.078
  119   HG22  THR  85          HG22      THR  85 -11.793  -0.017  -5.370
  120   HG23  THR  85          HG23      THR  85 -10.595  -1.301  -5.693
  121    H    TRP  86           H        TRP  86 -10.755   3.348  -6.679
  122    HA   TRP  86           HA       TRP  86  -8.204   4.794  -6.639
  123    HB2  TRP  86           HB2      TRP  86  -8.743   4.713  -9.033
  124    HB3  TRP  86           HB3      TRP  86 -10.335   5.385  -8.725
  125    HD1  TRP  86           HD1      TRP  86  -6.685   6.499  -7.931
  126    HE1  TRP  86           HE1      TRP  86  -6.460   9.010  -8.430
  127    HE3  TRP  86           HE3      TRP  86 -11.405   7.403  -9.686
  128    HZ2  TRP  86           HZ2      TRP  86  -8.187  11.174  -9.259
  129    HZ3  TRP  86           HZ3      TRP  86 -12.128   9.724 -10.187
  130    HH2  TRP  86           HH2      TRP  86 -10.574  11.615  -9.880
  131    H    SER  87           H        SER  87  -8.513   7.073  -5.930
  132    HA   SER  87           HA       SER  87 -10.947   7.445  -4.209
  133    HB2  SER  87           HB2      SER  87  -9.393   7.908  -2.341
  134    HB3  SER  87           HB3      SER  87  -9.071   6.304  -3.024
  135    HG   SER  87           HG       SER  87  -7.128   7.503  -2.726
  136    H    GLY  88           H        GLY  88  -9.345   9.054  -6.596
  137    HA2  GLY  88           HA2      GLY  88 -10.001  11.320  -7.116
  138    HA3  GLY  88           HA3      GLY  88  -9.997  11.729  -5.416
  139    H    ARG  89           H        ARG  89  -7.265  10.115  -5.351
  140    HA   ARG  89           HA       ARG  89  -5.523  12.409  -5.521
  141    HB2  ARG  89           HB2      ARG  89  -5.264  10.527  -3.913
  142    HB3  ARG  89           HB3      ARG  89  -4.932   9.426  -5.239
  143    HG2  ARG  89           HG2      ARG  89  -2.867  10.030  -4.119
  144    HG3  ARG  89           HG3      ARG  89  -2.848  10.607  -5.777
  145    HD2  ARG  89           HD2      ARG  89  -1.863  12.254  -4.300
  146    HD3  ARG  89           HD3      ARG  89  -3.352  12.906  -4.997
  147    HE   ARG  89           HE       ARG  89  -3.884  11.652  -2.449
  148   HH11  ARG  89          HH21      ARG  89  -2.396  14.582  -3.688
  149   HH12  ARG  89          HH22      ARG  89  -2.750  15.480  -2.239
  150   HH21  ARG  89          HH11      ARG  89  -4.322  12.870  -0.641
  151   HH22  ARG  89          HH12      ARG  89  -3.794  14.527  -0.558
  152    H    GLY  90           H        GLY  90  -4.455  13.210  -7.253
  153    HA2  GLY  90           HA2      GLY  90  -3.300  13.321  -9.268
  154    HA3  GLY  90           HA3      GLY  90  -3.263  11.563  -9.326
  155    H    ARG  91           H        ARG  91  -3.568  11.980 -11.648
  156    HA   ARG  91           HA       ARG  91  -6.086  12.957 -12.752
  157    HB2  ARG  91           HB2      ARG  91  -3.986  11.167 -14.007
  158    HB3  ARG  91           HB3      ARG  91  -5.338  11.984 -14.821
  159    HG2  ARG  91           HG2      ARG  91  -4.432  14.192 -14.128
  160    HG3  ARG  91           HG3      ARG  91  -3.012  13.395 -13.438
  161    HD2  ARG  91           HD2      ARG  91  -3.874  13.232 -16.358
  162    HD3  ARG  91           HD3      ARG  91  -2.638  14.331 -15.719
  163    HE   ARG  91           HE       ARG  91  -1.834  11.777 -14.909
  164   HH11  ARG  91          HH21      ARG  91  -2.252  13.404 -17.986
  165   HH12  ARG  91          HH22      ARG  91  -1.040  12.428 -18.772
  166   HH21  ARG  91          HH11      ARG  91  -0.319  10.549 -15.979
  167   HH22  ARG  91          HH12      ARG  91   0.023  10.852 -17.657
  168    H    GLN  92           H        GLN  92  -7.688  11.748 -13.831
  169    HA   GLN  92           HA       GLN  92  -8.814   9.574 -12.381
  170    HB2  GLN  92           HB2      GLN  92  -9.358  10.600 -15.189
  171    HB3  GLN  92           HB3      GLN  92 -10.356   9.402 -14.360
  172    HG2  GLN  92           HG2      GLN  92 -10.898  10.995 -12.584
  173    HG3  GLN  92           HG3      GLN  92  -9.861  12.229 -13.307
  174   HE21  GLN  92          HE22      GLN  92 -13.035  11.678 -12.937
  175   HE22  GLN  92          HE21      GLN  92 -13.622  12.245 -14.493
  176    HA   PRO  93           HA       PRO  93  -6.650   5.993 -14.185
  177    HB2  PRO  93           HB2      PRO  93  -9.270   4.630 -13.626
  178    HB3  PRO  93           HB3      PRO  93  -7.597   4.115 -13.241
  179    HG2  PRO  93           HG2      PRO  93  -9.263   5.158 -11.341
  180    HG3  PRO  93           HG3      PRO  93  -7.508   5.549 -11.356
  181    HD2  PRO  93           HD2      PRO  93  -9.825   7.217 -12.328
  182    HD3  PRO  93           HD3      PRO  93  -8.330   7.707 -11.476
  183    H    ALA  94           H        ALA  94  -6.703   4.732 -16.101
  184    HA   ALA  94           HA       ALA  94  -8.078   5.764 -18.342
  185    HB1  ALA  94           HB1      ALA  94  -5.939   4.547 -18.438
  186    HB2  ALA  94           HB2      ALA  94  -6.751   3.041 -17.943
  187    HB3  ALA  94           HB3      ALA  94  -7.135   3.792 -19.508
  188    H    TRP  95           H        TRP  95  -9.024   3.063 -16.195
  189    HA   TRP  95           HA       TRP  95 -11.255   2.176 -17.814
  190    HB2  TRP  95           HB2      TRP  95 -11.976   1.069 -15.650
  191    HB3  TRP  95           HB3      TRP  95 -10.429   0.596 -16.316
  192    HD1  TRP  95           HD1      TRP  95  -8.292   1.012 -14.920
  193    HE1  TRP  95           HE1      TRP  95  -7.886   1.512 -12.436
  194    HE3  TRP  95           HE3      TRP  95 -13.036   2.509 -13.600
  195    HZ2  TRP  95           HZ2      TRP  95  -9.415   2.366 -10.169
  196    HZ3  TRP  95           HZ3      TRP  95 -13.511   3.145 -11.252
  197    HH2  TRP  95           HH2      TRP  95 -11.726   3.058  -9.540
  198    H    LEU  96           H        LEU  96 -10.922   4.881 -15.600
  199    HA   LEU  96           HA       LEU  96 -13.704   5.001 -14.864
  200    HB2  LEU  96           HB2      LEU  96 -11.572   5.988 -13.670
  201    HB3  LEU  96           HB3      LEU  96 -11.773   7.336 -14.788
  202    HG   LEU  96           HG       LEU  96 -14.264   7.381 -13.901
  203   HD11  LEU  96          HD11      LEU  96 -12.894   5.971 -11.575
  204   HD12  LEU  96          HD12      LEU  96 -14.583   6.513 -11.670
  205   HD13  LEU  96          HD13      LEU  96 -14.027   5.173 -12.681
  206   HD21  LEU  96          HD21      LEU  96 -12.692   9.153 -13.438
  207   HD22  LEU  96          HD22      LEU  96 -13.573   8.756 -11.944
  208   HD23  LEU  96          HD23      LEU  96 -11.906   8.180 -12.171
  209    H    GLY  97           H        GLY  97 -11.803   6.584 -17.434
  210    HA2  GLY  97           HA2      GLY  97 -12.443   7.732 -19.332
  211    HA3  GLY  97           HA3      GLY  97 -13.966   6.853 -19.204
  212    H    ASN  98           H        ASN  98 -15.041   8.638 -20.105
  213    HA   ASN  98           HA       ASN  98 -14.957  11.295 -18.973
  214    HB2  ASN  98           HB2      ASN  98 -15.321  10.724 -21.377
  215    HB3  ASN  98           HB3      ASN  98 -16.876   9.996 -20.961
  216   HD21  ASN  98          HD22      ASN  98 -15.067  13.117 -20.803
  217   HD22  ASN  98          HD21      ASN  98 -16.512  14.100 -20.976
  218    H    ASP  99           H        ASP  99 -16.810   8.515 -18.017
  219    HA   ASP  99           HA       ASP  99 -18.730  10.211 -16.475
  220    HB2  ASP  99           HB2      ASP  99 -19.789   9.645 -18.572
  221    HB3  ASP  99           HB3      ASP  99 -19.452   7.929 -18.321
  222    HA   PRO 100           HA       PRO 100 -16.759   7.185 -13.590
  223    HB2  PRO 100           HB2      PRO 100 -17.838   9.246 -11.707
  224    HB3  PRO 100           HB3      PRO 100 -16.289   8.343 -11.686
  225    HG2  PRO 100           HG2      PRO 100 -16.364  10.907 -12.568
  226    HG3  PRO 100           HG3      PRO 100 -15.379   9.686 -13.432
  227    HD2  PRO 100           HD2      PRO 100 -18.124  10.729 -14.151
  228    HD3  PRO 100           HD3      PRO 100 -16.710  10.406 -15.204
  229    H    ALA 101           H        ALA 101 -20.127   8.122 -13.861
  230    HA   ALA 101           HA       ALA 101 -21.229   7.109 -11.516
  231    HB1  ALA 101           HB1      ALA 101 -22.448   7.176 -14.303
  232    HB2  ALA 101           HB2      ALA 101 -23.340   7.073 -12.768
  233    HB3  ALA 101           HB3      ALA 101 -22.395   8.524 -13.145
  234    H    ALA 102           H        ALA 102 -20.214   5.176 -14.320
  235    HA   ALA 102           HA       ALA 102 -21.674   2.793 -13.645
  236    HB1  ALA 102           HB1      ALA 102 -20.174   1.751 -15.319
  237    HB2  ALA 102           HB2      ALA 102 -20.822   3.294 -15.897
  238    HB3  ALA 102           HB3      ALA 102 -19.151   3.203 -15.301
  239    H    PHE 103           H        PHE 103 -18.725   4.079 -12.300
  240    HA   PHE 103           HA       PHE 103 -18.248   1.576 -10.743
  241    HB2  PHE 103           HB2      PHE 103 -15.722   2.741 -11.227
  242    HB3  PHE 103           HB3      PHE 103 -16.350   1.212 -11.802
  243    HD1  PHE 103           HD1      PHE 103 -16.485   4.857 -12.688
  244    HD2  PHE 103           HD2      PHE 103 -16.355   0.789 -14.102
  245    HE1  PHE 103           HE1      PHE 103 -16.575   5.657 -15.033
  246    HE2  PHE 103           HE2      PHE 103 -16.326   1.602 -16.445
  247    HZ   PHE 103           HZ       PHE 103 -16.462   4.042 -16.915
  248    H    LEU 104           H        LEU 104 -18.907   4.844 -10.457
  249    HA   LEU 104           HA       LEU 104 -17.506   5.642  -8.138
  250    HB2  LEU 104           HB2      LEU 104 -19.915   6.388  -9.629
  251    HB3  LEU 104           HB3      LEU 104 -20.151   6.600  -7.900
  252    HG   LEU 104           HG       LEU 104 -17.834   7.756  -9.472
  253   HD11  LEU 104          HD11      LEU 104 -19.969   8.741 -10.177
  254   HD12  LEU 104          HD12      LEU 104 -20.384   9.095  -8.483
  255   HD13  LEU 104          HD13      LEU 104 -19.012   9.913  -9.257
  256   HD21  LEU 104          HD21      LEU 104 -17.610   9.255  -7.438
  257   HD22  LEU 104          HD22      LEU 104 -18.799   8.225  -6.611
  258   HD23  LEU 104          HD23      LEU 104 -17.222   7.579  -7.113
  259    H    ILE 105           H        ILE 105 -17.598   5.075  -6.021
  260    HA   ILE 105           HA       ILE 105 -19.304   2.822  -5.164
  261    HB   ILE 105           HB       ILE 105 -17.180   4.420  -3.665
  262   HG12  ILE 105          HG12      ILE 105 -16.985   1.604  -4.827
  263   HG13  ILE 105          HG13      ILE 105 -16.351   3.046  -5.624
  264   HG21  ILE 105          HG21      ILE 105 -18.847   3.400  -2.120
  265   HG22  ILE 105          HG22      ILE 105 -18.607   1.824  -2.904
  266   HG23  ILE 105          HG23      ILE 105 -17.298   2.595  -1.993
  267   HD11  ILE 105          HD11      ILE 105 -15.015   3.519  -3.509
  268   HD12  ILE 105          HD12      ILE 105 -15.407   1.863  -2.998
  269   HD13  ILE 105          HD13      ILE 105 -14.495   2.127  -4.489
  270    H    GLN 106           H        GLN 106 -21.314   3.175  -4.446
  271    HA   GLN 106           HA       GLN 106 -22.360   5.786  -3.825
  272    HB2  GLN 106           HB2      GLN 106 -23.495   2.980  -3.447
  273    HB3  GLN 106           HB3      GLN 106 -24.400   4.468  -3.134
  274    HG2  GLN 106           HG2      GLN 106 -24.095   5.176  -5.497
  275    HG3  GLN 106           HG3      GLN 106 -23.189   3.699  -5.826
  276   HE21  GLN 106          HE22      GLN 106 -24.674   2.879  -7.406
  277   HE22  GLN 106          HE21      GLN 106 -26.288   2.350  -6.943
  278    HA   PRO 107           HA       PRO 107 -21.394   5.941   0.494
  279    HB2  PRO 107           HB2      PRO 107 -23.134   7.814   1.460
  280    HB3  PRO 107           HB3      PRO 107 -21.860   8.206   0.268
  281    HG2  PRO 107           HG2      PRO 107 -24.777   7.563  -0.283
  282    HG3  PRO 107           HG3      PRO 107 -23.827   8.967  -0.874
  283    HD2  PRO 107           HD2      PRO 107 -24.178   6.742  -2.397
  284    HD3  PRO 107           HD3      PRO 107 -22.628   7.640  -2.404
  285    H    ASP 108           H        ASP 108 -24.388   4.654  -0.433
  286    HA   ASP 108           HA       ASP 108 -26.152   3.617   0.537
  287    HB2  ASP 108           HB2      ASP 108 -24.253   1.996   0.661
  288    HB3  ASP 108           HB3      ASP 108 -24.015   2.451   2.345
  289    H    LEU 109           H        LEU 109 -25.716   6.251   1.631
  290    HA   LEU 109           HA       LEU 109 -27.324   6.070   4.106
  291    HB2  LEU 109           HB2      LEU 109 -24.801   6.191   4.608
  292    HB3  LEU 109           HB3      LEU 109 -24.802   7.763   3.826
  293    HG   LEU 109           HG       LEU 109 -26.568   8.468   5.590
  294   HD11  LEU 109          HD11      LEU 109 -25.528   5.932   6.943
  295   HD12  LEU 109          HD12      LEU 109 -26.580   7.153   7.679
  296   HD13  LEU 109          HD13      LEU 109 -27.181   6.154   6.352
  297   HD21  LEU 109          HD21      LEU 109 -24.218   9.181   5.703
  298   HD22  LEU 109          HD22      LEU 109 -24.850   8.843   7.322
  299   HD23  LEU 109          HD23      LEU 109 -23.783   7.666   6.526
  300    HA   PRO 110           HA       PRO 110 -29.257   9.471   1.811
  301    HB2  PRO 110           HB2      PRO 110 -31.044  10.406   3.658
  302    HB3  PRO 110           HB3      PRO 110 -31.241   8.838   2.816
  303    HG2  PRO 110           HG2      PRO 110 -30.076   9.335   5.572
  304    HG3  PRO 110           HG3      PRO 110 -31.324   8.138   5.096
  305    HD2  PRO 110           HD2      PRO 110 -28.702   7.469   5.336
  306    HD3  PRO 110           HD3      PRO 110 -29.727   6.744   4.064
  307    H    ALA 111           H        ALA 111 -29.341  11.725   1.736
  308    HA   ALA 111           HA       ALA 111 -27.341  13.112   3.436
  309    HB1  ALA 111           HB1      ALA 111 -28.378  13.793   0.643
  310    HB2  ALA 111           HB2      ALA 111 -27.039  14.598   1.491
  311    HB3  ALA 111           HB3      ALA 111 -26.875  12.905   0.998
  312    H    ILE 112           H        ILE 112 -29.890  12.694   4.372
  313    HA   ILE 112           HA       ILE 112 -30.733  15.403   5.144
  314    HB   ILE 112           HB       ILE 112 -33.189  14.779   4.857
  315   HG12  ILE 112          HG12      ILE 112 -32.183  12.730   2.836
  316   HG13  ILE 112          HG13      ILE 112 -32.704  12.271   4.458
  317   HG21  ILE 112          HG21      ILE 112 -31.695  14.989   2.225
  318   HG22  ILE 112          HG22      ILE 112 -33.327  15.568   2.592
  319   HG23  ILE 112          HG23      ILE 112 -31.931  16.351   3.343
  320   HD11  ILE 112          HD11      ILE 112 -34.439  13.559   2.315
  321   HD12  ILE 112          HD12      ILE 112 -34.515  11.901   2.920
  322   HD13  ILE 112          HD13      ILE 112 -34.960  13.245   3.992
  323    H    LEU 113           H        LEU 113 -29.263  14.206   6.581
  324    HA   LEU 113           HA       LEU 113 -30.762  12.770   8.744
  325    HB2  LEU 113           HB2      LEU 113 -29.434  11.352   7.118
  326    HB3  LEU 113           HB3      LEU 113 -27.975  12.144   7.696
  327    HG   LEU 113           HG       LEU 113 -28.290  11.137   9.933
  328   HD11  LEU 113          HD11      LEU 113 -30.777   9.857   8.701
  329   HD12  LEU 113          HD12      LEU 113 -30.036   9.384  10.248
  330   HD13  LEU 113          HD13      LEU 113 -30.738  10.991  10.072
  331   HD21  LEU 113          HD21      LEU 113 -27.057   9.908   8.192
  332   HD22  LEU 113          HD22      LEU 113 -27.909   8.808   9.287
  333   HD23  LEU 113          HD23      LEU 113 -28.560   9.124   7.663
  334    H    GLU 114           H        GLU 114 -29.170  15.578   8.188
  335    HA   GLU 114           HA       GLU 114 -28.462  16.016  11.019
  336    HB2  GLU 114           HB2      GLU 114 -26.423  15.184  10.102
  337    HB3  GLU 114           HB3      GLU 114 -26.440  16.390   8.796
  338    HG2  GLU 114           HG2      GLU 114 -26.232  18.202  10.487
  339    HG3  GLU 114           HG3      GLU 114 -26.303  17.005  11.785
  Start of MODEL   16
    1    H1   MET  71           H1       MET  71  -7.061  10.058  11.048
    2    H2   MET  71           H2       MET  71  -7.216  11.347  10.055
    3    H3   MET  71           H3       MET  71  -7.644  11.470  11.633
    4    HA   MET  71           HA       MET  71  -9.438   9.892  11.349
    5    HB2  MET  71           HB2      MET  71  -9.921  12.308  11.097
    6    HB3  MET  71           HB3      MET  71  -9.574  12.217   9.369
    7    HG2  MET  71           HG2      MET  71 -11.981  12.218   9.841
    8    HG3  MET  71           HG3      MET  71 -11.494  10.741   9.020
    9    HE1  MET  71           HE1      MET  71 -13.781   9.604   9.567
   10    HE2  MET  71           HE2      MET  71 -14.497   9.528  11.195
   11    HE3  MET  71           HE3      MET  71 -14.324  11.094  10.373
   12    H    SER  72           H        SER  72 -10.310   8.191  10.224
   13    HA   SER  72           HA       SER  72  -8.907   6.941   8.106
   14    HB2  SER  72           HB2      SER  72 -11.785   6.522   8.998
   15    HB3  SER  72           HB3      SER  72 -10.797   5.385   8.066
   16    HG   SER  72           HG       SER  72 -10.781   4.881  10.318
   17    H    THR  73           H        THR  73  -9.577   6.403   5.971
   18    HA   THR  73           HA       THR  73 -11.539   8.178   4.567
   19    HB   THR  73           HB       THR  73 -10.114   8.627   2.821
   20    HG1  THR  73           HG1      THR  73  -7.891   8.082   2.875
   21   HG21  THR  73          HG21      THR  73  -8.551  10.219   3.779
   22   HG22  THR  73          HG22      THR  73 -10.051  10.219   4.717
   23   HG23  THR  73          HG23      THR  73  -8.605   9.396   5.348
   24    H    VAL  74           H        VAL  74 -11.998   7.413   2.343
   25    HA   VAL  74           HA       VAL  74 -11.681   4.500   1.886
   26    HB   VAL  74           HB       VAL  74 -14.106   4.322   1.302
   27   HG11  VAL  74          HG11      VAL  74 -13.642   5.022   4.220
   28   HG12  VAL  74          HG12      VAL  74 -14.915   3.989   3.550
   29   HG13  VAL  74          HG13      VAL  74 -13.225   3.471   3.449
   30   HG21  VAL  74          HG21      VAL  74 -14.684   6.721   1.056
   31   HG22  VAL  74          HG22      VAL  74 -15.740   5.884   2.198
   32   HG23  VAL  74          HG23      VAL  74 -14.458   6.947   2.808
   33    HA   PRO  75           HA       PRO  75 -11.310   5.807  -2.365
   34    HB2  PRO  75           HB2      PRO  75 -12.187   3.604  -3.768
   35    HB3  PRO  75           HB3      PRO  75 -10.608   3.705  -2.932
   36    HG2  PRO  75           HG2      PRO  75 -13.179   2.477  -1.910
   37    HG3  PRO  75           HG3      PRO  75 -11.528   1.778  -1.882
   38    HD2  PRO  75           HD2      PRO  75 -12.598   2.989   0.290
   39    HD3  PRO  75           HD3      PRO  75 -10.870   3.193  -0.110
   40    H    LYS  76           H        LYS  76 -12.423   6.184  -4.312
   41    HA   LYS  76           HA       LYS  76 -15.324   6.908  -3.946
   42    HB2  LYS  76           HB2      LYS  76 -13.252   8.108  -5.806
   43    HB3  LYS  76           HB3      LYS  76 -14.987   8.472  -5.762
   44    HG2  LYS  76           HG2      LYS  76 -14.760   9.233  -3.401
   45    HG3  LYS  76           HG3      LYS  76 -13.007   8.977  -3.513
   46    HD2  LYS  76           HD2      LYS  76 -12.992  10.538  -5.520
   47    HD3  LYS  76           HD3      LYS  76 -14.689  10.893  -5.206
   48    HE2  LYS  76           HE2      LYS  76 -12.394  11.375  -3.234
   49    HE3  LYS  76           HE3      LYS  76 -13.033  12.591  -4.342
   50    HZ1  LYS  76           HZ1      LYS  76 -15.197  12.406  -3.224
   51    HZ2  LYS  76           HZ2      LYS  76 -14.613  11.291  -2.172
   52    HZ3  LYS  76           HZ3      LYS  76 -14.044  12.816  -2.155
   53    H    TYR  77           H        TYR  77 -13.168   4.992  -5.985
   54    HA   TYR  77           HA       TYR  77 -15.560   4.020  -7.500
   55    HB2  TYR  77           HB2      TYR  77 -12.899   4.799  -8.742
   56    HB3  TYR  77           HB3      TYR  77 -14.309   4.197  -9.584
   57    HD1  TYR  77           HD2      TYR  77 -12.834   7.091  -7.824
   58    HD2  TYR  77           HD1      TYR  77 -16.108   5.705 -10.264
   59    HE1  TYR  77           HE2      TYR  77 -13.496   9.452  -8.279
   60    HE2  TYR  77           HE1      TYR  77 -16.711   8.056 -10.776
   61    HH   TYR  77           HH       TYR  77 -14.958  10.855  -9.407
   62    H    ARG  78           H        ARG  78 -15.422   1.896  -8.270
   63    HA   ARG  78           HA       ARG  78 -12.860   0.466  -8.068
   64    HB2  ARG  78           HB2      ARG  78 -13.985   0.079  -5.868
   65    HB3  ARG  78           HB3      ARG  78 -15.325  -0.707  -6.708
   66    HG2  ARG  78           HG2      ARG  78 -13.791  -2.440  -7.586
   67    HG3  ARG  78           HG3      ARG  78 -12.403  -1.545  -6.959
   68    HD2  ARG  78           HD2      ARG  78 -13.446  -1.856  -4.626
   69    HD3  ARG  78           HD3      ARG  78 -14.512  -3.052  -5.402
   70    HE   ARG  78           HE       ARG  78 -11.676  -3.445  -6.020
   71   HH11  ARG  78          HH11      ARG  78 -14.027  -4.174  -3.505
   72   HH12  ARG  78          HH12      ARG  78 -13.079  -5.505  -2.898
   73   HH21  ARG  78          HH21      ARG  78 -10.532  -5.117  -5.191
   74   HH22  ARG  78          HH22      ARG  78 -11.143  -6.030  -3.839
   75    H    ASP  79           H        ASP  79 -12.513  -0.392  -9.934
   76    HA   ASP  79           HA       ASP  79 -14.378  -0.672 -12.060
   77    HB2  ASP  79           HB2      ASP  79 -12.034  -0.321 -12.458
   78    HB3  ASP  79           HB3      ASP  79 -11.601  -1.780 -11.577
   79    HA   PRO  80           HA       PRO  80 -15.947  -4.684 -10.561
   80    HB2  PRO  80           HB2      PRO  80 -17.914  -5.152 -12.404
   81    HB3  PRO  80           HB3      PRO  80 -18.061  -3.949 -11.087
   82    HG2  PRO  80           HG2      PRO  80 -17.220  -3.461 -13.962
   83    HG3  PRO  80           HG3      PRO  80 -18.463  -2.579 -13.011
   84    HD2  PRO  80           HD2      PRO  80 -15.936  -1.624 -13.260
   85    HD3  PRO  80           HD3      PRO  80 -16.816  -1.493 -11.704
   86    H    ALA  81           H        ALA  81 -14.534  -4.107 -13.735
   87    HA   ALA  81           HA       ALA  81 -14.641  -6.857 -14.646
   88    HB1  ALA  81           HB1      ALA  81 -13.023  -4.464 -15.626
   89    HB2  ALA  81           HB2      ALA  81 -13.282  -5.990 -16.498
   90    HB3  ALA  81           HB3      ALA  81 -14.654  -4.910 -16.162
   91    H    THR  82           H        THR  82 -12.158  -4.912 -12.992
   92    HA   THR  82           HA       THR  82 -10.386  -7.335 -12.758
   93    HB   THR  82           HB       THR  82  -8.514  -5.970 -12.885
   94    HG1  THR  82           HG1      THR  82 -10.325  -3.822 -13.347
   95   HG21  THR  82          HG21      THR  82  -9.599  -6.894 -14.910
   96   HG22  THR  82          HG22      THR  82 -10.323  -5.297 -15.219
   97   HG23  THR  82          HG23      THR  82  -8.553  -5.482 -15.219
   98    H    GLY  83           H        GLY  83 -12.010  -4.872 -10.883
   99    HA2  GLY  83           HA2      GLY  83 -12.218  -4.872  -8.568
  100    HA3  GLY  83           HA3      GLY  83 -10.790  -5.892  -8.399
  101    H    LYS  84           H        LYS  84  -9.829  -3.438 -10.422
  102    HA   LYS  84           HA       LYS  84  -8.107  -2.095  -8.580
  103    HB2  LYS  84           HB2      LYS  84  -9.105  -1.378 -11.369
  104    HB3  LYS  84           HB3      LYS  84  -7.888  -0.431 -10.496
  105    HG2  LYS  84           HG2      LYS  84  -6.442  -2.395 -10.279
  106    HG3  LYS  84           HG3      LYS  84  -7.629  -3.406 -11.111
  107    HD2  LYS  84           HD2      LYS  84  -7.427  -1.957 -13.145
  108    HD3  LYS  84           HD3      LYS  84  -6.171  -1.006 -12.313
  109    HE2  LYS  84           HE2      LYS  84  -4.797  -3.077 -12.061
  110    HE3  LYS  84           HE3      LYS  84  -6.051  -4.004 -12.896
  111    HZ1  LYS  84           HZ1      LYS  84  -5.660  -2.629 -14.882
  112    HZ2  LYS  84           HZ2      LYS  84  -4.492  -1.773 -14.113
  113    HZ3  LYS  84           HZ3      LYS  84  -4.274  -3.357 -14.425
  114    H    THR  85           H        THR  85  -8.130  -0.031  -7.690
  115    HA   THR  85           HA       THR  85 -10.811   1.280  -7.384
  116    HB   THR  85           HB       THR  85 -10.017   1.879  -5.062
  117    HG1  THR  85           HG1      THR  85  -8.355   0.582  -4.205
  118   HG21  THR  85          HG21      THR  85 -11.641   0.088  -5.370
  119   HG22  THR  85          HG22      THR  85 -10.335  -1.094  -5.647
  120   HG23  THR  85          HG23      THR  85 -10.527  -0.314  -4.059
  121    H    TRP  86           H        TRP  86 -10.877   3.502  -6.848
  122    HA   TRP  86           HA       TRP  86  -8.405   5.068  -6.886
  123    HB2  TRP  86           HB2      TRP  86  -9.053   4.848  -9.295
  124    HB3  TRP  86           HB3      TRP  86 -10.570   5.657  -8.943
  125    HD1  TRP  86           HD1      TRP  86  -6.802   6.417  -8.301
  126    HE1  TRP  86           HE1      TRP  86  -6.374   8.927  -8.674
  127    HE3  TRP  86           HE3      TRP  86 -11.501   7.846  -9.757
  128    HZ2  TRP  86           HZ2      TRP  86  -7.859  11.238  -9.530
  129    HZ3  TRP  86           HZ3      TRP  86 -11.985  10.230 -10.253
  130    HH2  TRP  86           HH2      TRP  86 -10.207  11.922 -10.104
  131    H    SER  87           H        SER  87  -8.738   7.307  -6.204
  132    HA   SER  87           HA       SER  87 -11.186   7.641  -4.481
  133    HB2  SER  87           HB2      SER  87  -8.352   8.134  -3.547
  134    HB3  SER  87           HB3      SER  87  -9.847   8.018  -2.587
  135    HG   SER  87           HG       SER  87  -8.449   6.103  -2.550
  136    H    GLY  88           H        GLY  88 -10.062   9.257  -6.965
  137    HA2  GLY  88           HA2      GLY  88 -10.485  11.488  -7.526
  138    HA3  GLY  88           HA3      GLY  88 -10.891  11.836  -5.863
  139    H    ARG  89           H        ARG  89  -7.764  10.394  -6.500
  140    HA   ARG  89           HA       ARG  89  -6.347  13.009  -6.204
  141    HB2  ARG  89           HB2      ARG  89  -6.756  11.949  -3.975
  142    HB3  ARG  89           HB3      ARG  89  -5.867  10.518  -4.502
  143    HG2  ARG  89           HG2      ARG  89  -3.806  11.877  -4.746
  144    HG3  ARG  89           HG3      ARG  89  -4.709  13.342  -4.311
  145    HD2  ARG  89           HD2      ARG  89  -5.208  12.370  -2.089
  146    HD3  ARG  89           HD3      ARG  89  -4.315  10.899  -2.531
  147    HE   ARG  89           HE       ARG  89  -2.597  13.142  -2.907
  148   HH11  ARG  89          HH11      ARG  89  -4.035  11.423  -0.212
  149   HH12  ARG  89          HH12      ARG  89  -2.749  11.868   0.878
  150   HH21  ARG  89          HH21      ARG  89  -0.999  13.691  -1.462
  151   HH22  ARG  89          HH22      ARG  89  -1.081  13.129   0.181
  152    H    GLY  90           H        GLY  90  -4.297  13.114  -7.086
  153    HA2  GLY  90           HA2      GLY  90  -2.551  12.598  -8.532
  154    HA3  GLY  90           HA3      GLY  90  -2.893  10.884  -8.306
  155    H    ARG  91           H        ARG  91  -2.245  11.030 -10.669
  156    HA   ARG  91           HA       ARG  91  -3.970  12.065 -12.693
  157    HB2  ARG  91           HB2      ARG  91  -1.717  11.456 -13.098
  158    HB3  ARG  91           HB3      ARG  91  -2.042   9.738 -12.751
  159    HG2  ARG  91           HG2      ARG  91  -3.500   9.612 -14.741
  160    HG3  ARG  91           HG3      ARG  91  -3.268  11.352 -15.038
  161    HD2  ARG  91           HD2      ARG  91  -0.850  10.961 -15.355
  162    HD3  ARG  91           HD3      ARG  91  -1.080   9.223 -15.050
  163    HE   ARG  91           HE       ARG  91  -2.840   9.955 -17.146
  164   HH11  ARG  91          HH11      ARG  91   0.633   9.720 -16.713
  165   HH12  ARG  91          HH12      ARG  91   0.915   9.415 -18.406
  166   HH21  ARG  91          HH21      ARG  91  -2.407   9.568 -19.295
  167   HH22  ARG  91          HH22      ARG  91  -0.766   9.320 -19.819
  168    H    GLN  92           H        GLN  92  -5.795  11.361 -13.606
  169    HA   GLN  92           HA       GLN  92  -7.487   9.433 -12.379
  170    HB2  GLN  92           HB2      GLN  92  -8.146  11.472 -13.720
  171    HB3  GLN  92           HB3      GLN  92  -7.676  10.604 -15.188
  172    HG2  GLN  92           HG2      GLN  92  -9.359   8.809 -14.549
  173    HG3  GLN  92           HG3      GLN  92  -9.839   9.844 -13.197
  174   HE21  GLN  92          HE22      GLN  92 -10.000   9.393 -16.714
  175   HE22  GLN  92          HE21      GLN  92 -11.133  10.704 -16.987
  176    HA   PRO  93           HA       PRO  93  -5.828   5.819 -14.563
  177    HB2  PRO  93           HB2      PRO  93  -7.540   3.880 -13.746
  178    HB3  PRO  93           HB3      PRO  93  -6.349   4.636 -12.644
  179    HG2  PRO  93           HG2      PRO  93  -9.290   5.316 -12.948
  180    HG3  PRO  93           HG3      PRO  93  -8.368   5.026 -11.446
  181    HD2  PRO  93           HD2      PRO  93  -8.839   7.544 -12.399
  182    HD3  PRO  93           HD3      PRO  93  -7.315   7.126 -11.557
  183    H    ALA  94           H        ALA  94  -6.294   4.493 -16.380
  184    HA   ALA  94           HA       ALA  94  -7.820   5.759 -18.354
  185    HB1  ALA  94           HB1      ALA  94  -6.729   2.912 -18.308
  186    HB2  ALA  94           HB2      ALA  94  -7.188   3.839 -19.751
  187    HB3  ALA  94           HB3      ALA  94  -5.824   4.380 -18.757
  188    H    TRP  95           H        TRP  95  -8.812   2.975 -16.341
  189    HA   TRP  95           HA       TRP  95 -11.140   2.282 -17.865
  190    HB2  TRP  95           HB2      TRP  95 -11.859   1.101 -15.792
  191    HB3  TRP  95           HB3      TRP  95 -10.276   0.657 -16.392
  192    HD1  TRP  95           HD1      TRP  95  -8.191   1.165 -14.895
  193    HE1  TRP  95           HE1      TRP  95  -7.916   1.621 -12.389
  194    HE3  TRP  95           HE3      TRP  95 -13.103   2.218 -13.684
  195    HZ2  TRP  95           HZ2      TRP  95  -9.570   2.310 -10.165
  196    HZ3  TRP  95           HZ3      TRP  95 -13.700   2.660 -11.337
  197    HH2  TRP  95           HH2      TRP  95 -11.957   2.717  -9.577
  198    H    LEU  96           H        LEU  96 -10.627   4.969 -15.685
  199    HA   LEU  96           HA       LEU  96 -13.342   5.268 -14.852
  200    HB2  LEU  96           HB2      LEU  96 -10.947   6.435 -14.118
  201    HB3  LEU  96           HB3      LEU  96 -11.681   7.731 -15.052
  202    HG   LEU  96           HG       LEU  96 -13.845   7.143 -13.593
  203   HD11  LEU  96          HD11      LEU  96 -12.781   5.120 -12.562
  204   HD12  LEU  96          HD12      LEU  96 -11.564   6.165 -11.808
  205   HD13  LEU  96          HD13      LEU  96 -13.272   6.325 -11.365
  206   HD21  LEU  96          HD21      LEU  96 -13.159   8.726 -11.876
  207   HD22  LEU  96          HD22      LEU  96 -11.465   8.569 -12.375
  208   HD23  LEU  96          HD23      LEU  96 -12.660   9.296 -13.477
  209    H    GLY  97           H        GLY  97 -11.819   6.083 -17.857
  210    HA2  GLY  97           HA2      GLY  97 -13.056   8.477 -18.599
  211    HA3  GLY  97           HA3      GLY  97 -12.398   7.261 -19.702
  212    H    ASN  98           H        ASN  98 -14.196   5.179 -19.275
  213    HA   ASN  98           HA       ASN  98 -15.977   5.780 -21.351
  214    HB2  ASN  98           HB2      ASN  98 -15.164   3.516 -20.798
  215    HB3  ASN  98           HB3      ASN  98 -16.125   3.509 -19.316
  216   HD21  ASN  98          HD22      ASN  98 -17.970   2.261 -19.587
  217   HD22  ASN  98          HD21      ASN  98 -18.875   2.170 -21.089
  218    H    ASP  99           H        ASP  99 -16.874   5.394 -17.900
  219    HA   ASP  99           HA       ASP  99 -18.924   7.424 -18.006
  220    HB2  ASP  99           HB2      ASP  99 -20.204   5.633 -19.096
  221    HB3  ASP  99           HB3      ASP  99 -19.863   4.539 -17.760
  222    HA   PRO 100           HA       PRO 100 -16.557   6.640 -14.171
  223    HB2  PRO 100           HB2      PRO 100 -16.924   9.134 -12.948
  224    HB3  PRO 100           HB3      PRO 100 -15.632   8.684 -14.098
  225    HG2  PRO 100           HG2      PRO 100 -18.247  10.087 -14.662
  226    HG3  PRO 100           HG3      PRO 100 -16.618  10.462 -15.310
  227    HD2  PRO 100           HD2      PRO 100 -18.437   9.084 -16.760
  228    HD3  PRO 100           HD3      PRO 100 -16.707   8.641 -16.828
  229    H    ALA 101           H        ALA 101 -19.887   7.910 -14.156
  230    HA   ALA 101           HA       ALA 101 -20.437   7.331 -11.414
  231    HB1  ALA 101           HB1      ALA 101 -22.776   7.684 -12.083
  232    HB2  ALA 101           HB2      ALA 101 -21.713   8.932 -12.761
  233    HB3  ALA 101           HB3      ALA 101 -22.310   7.609 -13.798
  234    H    ALA 102           H        ALA 102 -20.190   5.132 -14.150
  235    HA   ALA 102           HA       ALA 102 -22.150   3.211 -13.382
  236    HB1  ALA 102           HB1      ALA 102 -20.991   1.762 -14.981
  237    HB2  ALA 102           HB2      ALA 102 -21.149   3.404 -15.635
  238    HB3  ALA 102           HB3      ALA 102 -19.587   2.849 -14.991
  239    H    PHE 103           H        PHE 103 -18.832   3.646 -12.296
  240    HA   PHE 103           HA       PHE 103 -19.054   1.330 -10.413
  241    HB2  PHE 103           HB2      PHE 103 -16.519   1.129 -10.939
  242    HB3  PHE 103           HB3      PHE 103 -17.697   0.530 -12.089
  243    HD1  PHE 103           HD2      PHE 103 -15.923   3.771 -11.363
  244    HD2  PHE 103           HD1      PHE 103 -17.308   0.980 -14.338
  245    HE1  PHE 103           HE2      PHE 103 -15.123   5.274 -13.136
  246    HE2  PHE 103           HE1      PHE 103 -16.456   2.473 -16.127
  247    HZ   PHE 103           HZ       PHE 103 -15.399   4.638 -15.539
  248    H    LEU 104           H        LEU 104 -19.428   4.372 -10.130
  249    HA   LEU 104           HA       LEU 104 -17.460   5.153  -8.117
  250    HB2  LEU 104           HB2      LEU 104 -18.946   6.608  -9.710
  251    HB3  LEU 104           HB3      LEU 104 -20.198   6.409  -8.493
  252    HG   LEU 104           HG       LEU 104 -17.398   7.519  -7.959
  253   HD11  LEU 104          HD11      LEU 104 -18.405   9.745  -8.037
  254   HD12  LEU 104          HD12      LEU 104 -18.642   8.922  -9.584
  255   HD13  LEU 104          HD13      LEU 104 -19.994   9.041  -8.436
  256   HD21  LEU 104          HD21      LEU 104 -19.943   7.740  -6.292
  257   HD22  LEU 104          HD22      LEU 104 -18.488   6.811  -5.874
  258   HD23  LEU 104          HD23      LEU 104 -18.388   8.555  -5.960
  259    H    ILE 105           H        ILE 105 -17.502   4.606  -6.042
  260    HA   ILE 105           HA       ILE 105 -19.303   2.569  -5.015
  261    HB   ILE 105           HB       ILE 105 -17.142   4.181  -3.597
  262   HG12  ILE 105          HG12      ILE 105 -16.941   1.345  -4.723
  263   HG13  ILE 105          HG13      ILE 105 -16.382   2.763  -5.607
  264   HG21  ILE 105          HG21      ILE 105 -18.753   3.154  -2.020
  265   HG22  ILE 105          HG22      ILE 105 -18.661   1.616  -2.902
  266   HG23  ILE 105          HG23      ILE 105 -17.267   2.225  -1.982
  267   HD11  ILE 105          HD11      ILE 105 -15.304   1.788  -2.952
  268   HD12  ILE 105          HD12      ILE 105 -14.468   1.890  -4.508
  269   HD13  ILE 105          HD13      ILE 105 -14.933   3.378  -3.663
  270    H    GLN 106           H        GLN 106 -21.162   2.844  -3.955
  271    HA   GLN 106           HA       GLN 106 -21.807   5.369  -2.528
  272    HB2  GLN 106           HB2      GLN 106 -23.442   4.022  -4.723
  273    HB3  GLN 106           HB3      GLN 106 -24.149   5.170  -3.605
  274    HG2  GLN 106           HG2      GLN 106 -21.849   5.819  -5.506
  275    HG3  GLN 106           HG3      GLN 106 -23.544   6.155  -5.807
  276   HE21  GLN 106          HE22      GLN 106 -20.728   7.128  -3.851
  277   HE22  GLN 106          HE21      GLN 106 -21.464   8.636  -3.301
  278    HA   PRO 107           HA       PRO 107 -23.404   2.573   0.495
  279    HB2  PRO 107           HB2      PRO 107 -25.069   4.109   1.986
  280    HB3  PRO 107           HB3      PRO 107 -23.332   4.469   1.817
  281    HG2  PRO 107           HG2      PRO 107 -25.613   5.665   0.204
  282    HG3  PRO 107           HG3      PRO 107 -24.337   6.536   1.114
  283    HD2  PRO 107           HD2      PRO 107 -24.108   6.044  -1.544
  284    HD3  PRO 107           HD3      PRO 107 -22.687   5.970  -0.461
  285    H    ASP 108           H        ASP 108 -24.488   1.708  -1.804
  286    HA   ASP 108           HA       ASP 108 -27.275   1.625  -1.982
  287    HB2  ASP 108           HB2      ASP 108 -25.630   1.060  -3.772
  288    HB3  ASP 108           HB3      ASP 108 -25.250  -0.435  -2.915
  289    H    LEU 109           H        LEU 109 -25.211   0.074   0.206
  290    HA   LEU 109           HA       LEU 109 -27.359  -1.563   1.371
  291    HB2  LEU 109           HB2      LEU 109 -24.371  -2.178   1.189
  292    HB3  LEU 109           HB3      LEU 109 -25.405  -2.944   2.359
  293    HG   LEU 109           HG       LEU 109 -25.059  -4.483   0.660
  294   HD11  LEU 109          HD11      LEU 109 -27.281  -5.068  -0.076
  295   HD12  LEU 109          HD12      LEU 109 -27.375  -4.396   1.563
  296   HD13  LEU 109          HD13      LEU 109 -27.861  -3.413   0.161
  297   HD21  LEU 109          HD21      LEU 109 -24.430  -2.916  -1.179
  298   HD22  LEU 109          HD22      LEU 109 -25.497  -4.247  -1.669
  299   HD23  LEU 109          HD23      LEU 109 -26.162  -2.624  -1.458
  300    HA   PRO 110           HA       PRO 110 -27.103   0.799   5.074
  301    HB2  PRO 110           HB2      PRO 110 -26.468  -1.728   6.562
  302    HB3  PRO 110           HB3      PRO 110 -27.622  -0.406   6.951
  303    HG2  PRO 110           HG2      PRO 110 -28.521  -2.705   5.818
  304    HG3  PRO 110           HG3      PRO 110 -29.141  -1.121   5.255
  305    HD2  PRO 110           HD2      PRO 110 -27.044  -2.878   3.987
  306    HD3  PRO 110           HD3      PRO 110 -28.366  -1.952   3.220
  307    H    ALA 111           H        ALA 111 -25.645   2.098   5.967
  308    HA   ALA 111           HA       ALA 111 -22.863   1.278   6.565
  309    HB1  ALA 111           HB1      ALA 111 -22.910   1.843   4.143
  310    HB2  ALA 111           HB2      ALA 111 -23.636   3.417   4.519
  311    HB3  ALA 111           HB3      ALA 111 -21.979   3.046   5.054
  312    H    ILE 112           H        ILE 112 -21.616   3.271   7.376
  313    HA   ILE 112           HA       ILE 112 -23.182   4.709   9.358
  314    HB   ILE 112           HB       ILE 112 -21.100   3.573   9.938
  315   HG12  ILE 112          HG12      ILE 112 -20.028   5.243  11.322
  316   HG13  ILE 112          HG13      ILE 112 -20.768   6.559  10.420
  317   HG21  ILE 112          HG21      ILE 112 -19.568   5.635   8.312
  318   HG22  ILE 112          HG22      ILE 112 -18.892   4.372   9.347
  319   HG23  ILE 112          HG23      ILE 112 -19.777   3.923   7.888
  320   HD11  ILE 112          HD11      ILE 112 -22.996   5.912  11.231
  321   HD12  ILE 112          HD12      ILE 112 -22.311   4.462  12.017
  322   HD13  ILE 112          HD13      ILE 112 -21.884   6.086  12.595
  323    H    LEU 113           H        LEU 113 -24.235   5.417   7.390
  324    HA   LEU 113           HA       LEU 113 -23.600   8.258   6.784
  325    HB2  LEU 113           HB2      LEU 113 -22.511   6.794   5.080
  326    HB3  LEU 113           HB3      LEU 113 -24.059   6.087   4.684
  327    HG   LEU 113           HG       LEU 113 -23.168   7.735   3.064
  328   HD11  LEU 113          HD11      LEU 113 -25.623   7.259   3.205
  329   HD12  LEU 113          HD12      LEU 113 -25.806   8.747   4.161
  330   HD13  LEU 113          HD13      LEU 113 -25.193   8.828   2.508
  331   HD21  LEU 113          HD21      LEU 113 -23.220  10.111   3.473
  332   HD22  LEU 113          HD22      LEU 113 -23.831   9.879   5.122
  333   HD23  LEU 113          HD23      LEU 113 -22.191   9.346   4.689
  334    H    GLU 114           H        GLU 114 -25.389   9.431   7.049
  335    HA   GLU 114           HA       GLU 114 -28.079   8.448   6.330
  336    HB2  GLU 114           HB2      GLU 114 -27.826   7.745   8.601
  337    HB3  GLU 114           HB3      GLU 114 -27.392   9.387   9.120
  338    HG2  GLU 114           HG2      GLU 114 -29.643  10.184   8.456
  339    HG3  GLU 114           HG3      GLU 114 -30.050   8.573   7.853
  Start of MODEL   17
    1    H1   MET  71           H1       MET  71  -8.535   3.424   9.090
    2    H2   MET  71           H2       MET  71  -7.604   2.078   9.210
    3    H3   MET  71           H3       MET  71  -7.054   3.508   9.776
    4    HA   MET  71           HA       MET  71  -5.951   3.011   7.732
    5    HB2  MET  71           HB2      MET  71  -7.101   2.814   5.617
    6    HB3  MET  71           HB3      MET  71  -7.587   1.534   6.707
    7    HG2  MET  71           HG2      MET  71  -9.265   4.012   6.103
    8    HG3  MET  71           HG3      MET  71  -9.392   2.477   5.269
    9    HE1  MET  71           HE1      MET  71 -11.999   2.457   5.678
   10    HE2  MET  71           HE2      MET  71 -12.745   2.628   7.285
   11    HE3  MET  71           HE3      MET  71 -11.878   4.001   6.565
   12    H    SER  72           H        SER  72  -4.980   4.757   6.807
   13    HA   SER  72           HA       SER  72  -5.814   7.366   7.645
   14    HB2  SER  72           HB2      SER  72  -3.702   6.602   5.597
   15    HB3  SER  72           HB3      SER  72  -3.811   8.130   6.486
   16    HG   SER  72           HG       SER  72  -3.379   7.013   8.412
   17    H    THR  73           H        THR  73  -6.444   5.638   4.667
   18    HA   THR  73           HA       THR  73  -8.021   7.903   3.629
   19    HB   THR  73           HB       THR  73  -5.946   8.319   2.711
   20    HG1  THR  73           HG1      THR  73  -6.630   8.472   0.579
   21   HG21  THR  73          HG21      THR  73  -4.927   6.047   2.532
   22   HG22  THR  73          HG22      THR  73  -6.114   5.618   1.277
   23   HG23  THR  73          HG23      THR  73  -4.899   6.876   0.972
   24    H    VAL  74           H        VAL  74  -9.303   7.161   1.639
   25    HA   VAL  74           HA       VAL  74 -10.035   4.297   1.613
   26    HB   VAL  74           HB       VAL  74 -12.470   4.864   1.752
   27   HG11  VAL  74          HG11      VAL  74 -12.596   4.913   4.166
   28   HG12  VAL  74          HG12      VAL  74 -11.245   3.876   3.663
   29   HG13  VAL  74          HG13      VAL  74 -10.932   5.514   4.288
   30   HG21  VAL  74          HG21      VAL  74 -12.397   7.302   1.345
   31   HG22  VAL  74          HG22      VAL  74 -13.214   6.906   2.863
   32   HG23  VAL  74          HG23      VAL  74 -11.555   7.536   2.893
   33    HA   PRO  75           HA       PRO  75 -10.621   5.210  -2.725
   34    HB2  PRO  75           HB2      PRO  75 -12.241   3.198  -3.563
   35    HB3  PRO  75           HB3      PRO  75 -10.547   2.935  -3.056
   36    HG2  PRO  75           HG2      PRO  75 -13.054   2.587  -1.385
   37    HG3  PRO  75           HG3      PRO  75 -11.711   1.421  -1.611
   38    HD2  PRO  75           HD2      PRO  75 -11.821   3.069   0.547
   39    HD3  PRO  75           HD3      PRO  75 -10.262   2.694  -0.242
   40    H    LYS  76           H        LYS  76 -12.157   5.714  -4.304
   41    HA   LYS  76           HA       LYS  76 -14.853   6.687  -3.417
   42    HB2  LYS  76           HB2      LYS  76 -13.272   8.505  -3.555
   43    HB3  LYS  76           HB3      LYS  76 -12.933   8.168  -5.258
   44    HG2  LYS  76           HG2      LYS  76 -15.271   8.689  -5.838
   45    HG3  LYS  76           HG3      LYS  76 -15.683   8.874  -4.123
   46    HD2  LYS  76           HD2      LYS  76 -14.153  10.817  -3.946
   47    HD3  LYS  76           HD3      LYS  76 -13.632  10.575  -5.613
   48    HE2  LYS  76           HE2      LYS  76 -15.166  12.374  -5.674
   49    HE3  LYS  76           HE3      LYS  76 -15.991  10.986  -6.386
   50    HZ1  LYS  76           HZ1      LYS  76 -17.403  12.221  -4.796
   51    HZ2  LYS  76           HZ2      LYS  76 -17.180  10.705  -4.241
   52    HZ3  LYS  76           HZ3      LYS  76 -16.357  11.958  -3.577
   53    H    TYR  77           H        TYR  77 -12.970   5.000  -5.831
   54    HA   TYR  77           HA       TYR  77 -15.437   4.326  -7.376
   55    HB2  TYR  77           HB2      TYR  77 -12.728   4.952  -8.598
   56    HB3  TYR  77           HB3      TYR  77 -14.230   4.632  -9.444
   57    HD1  TYR  77           HD2      TYR  77 -12.402   7.078  -7.332
   58    HD2  TYR  77           HD1      TYR  77 -15.719   6.453 -10.014
   59    HE1  TYR  77           HE2      TYR  77 -12.732   9.542  -7.510
   60    HE2  TYR  77           HE1      TYR  77 -15.989   8.913 -10.240
   61    HH   TYR  77           HH       TYR  77 -15.249  11.006  -9.592
   62    H    ARG  78           H        ARG  78 -15.433   2.257  -8.278
   63    HA   ARG  78           HA       ARG  78 -13.058   0.506  -8.051
   64    HB2  ARG  78           HB2      ARG  78 -14.327   0.208  -5.941
   65    HB3  ARG  78           HB3      ARG  78 -15.775  -0.205  -6.869
   66    HG2  ARG  78           HG2      ARG  78 -14.632  -2.207  -7.801
   67    HG3  ARG  78           HG3      ARG  78 -13.127  -1.732  -7.017
   68    HD2  ARG  78           HD2      ARG  78 -14.124  -3.474  -5.710
   69    HD3  ARG  78           HD3      ARG  78 -14.223  -1.963  -4.790
   70    HE   ARG  78           HE       ARG  78 -16.629  -2.407  -6.349
   71   HH11  ARG  78          HH21      ARG  78 -15.108  -3.569  -3.410
   72   HH12  ARG  78          HH22      ARG  78 -16.632  -4.013  -2.689
   73   HH21  ARG  78          HH11      ARG  78 -18.535  -3.013  -5.374
   74   HH22  ARG  78          HH12      ARG  78 -18.512  -3.715  -3.784
   75    H    ASP  79           H        ASP  79 -12.761  -0.301  -9.997
   76    HA   ASP  79           HA       ASP  79 -14.639  -0.312 -12.157
   77    HB2  ASP  79           HB2      ASP  79 -12.269  -0.207 -12.553
   78    HB3  ASP  79           HB3      ASP  79 -11.992  -1.721 -11.704
   79    HA   PRO  80           HA       PRO  80 -16.639  -4.121 -10.655
   80    HB2  PRO  80           HB2      PRO  80 -18.577  -4.448 -12.571
   81    HB3  PRO  80           HB3      PRO  80 -18.649  -3.201 -11.290
   82    HG2  PRO  80           HG2      PRO  80 -17.667  -2.875 -14.144
   83    HG3  PRO  80           HG3      PRO  80 -18.838  -1.850 -13.247
   84    HD2  PRO  80           HD2      PRO  80 -16.224  -1.165 -13.444
   85    HD3  PRO  80           HD3      PRO  80 -17.129  -0.909 -11.916
   86    H    ALA  81           H        ALA  81 -15.113  -3.864 -13.834
   87    HA   ALA  81           HA       ALA  81 -15.470  -6.658 -14.544
   88    HB1  ALA  81           HB1      ALA  81 -13.670  -4.489 -15.704
   89    HB2  ALA  81           HB2      ALA  81 -14.041  -6.052 -16.455
   90    HB3  ALA  81           HB3      ALA  81 -15.329  -4.855 -16.217
   91    H    THR  82           H        THR  82 -12.911  -4.827 -12.928
   92    HA   THR  82           HA       THR  82 -11.214  -7.303 -12.685
   93    HB   THR  82           HB       THR  82  -9.314  -5.967 -12.763
   94    HG1  THR  82           HG1      THR  82 -11.081  -3.802 -13.309
   95   HG21  THR  82          HG21      THR  82  -9.303  -5.466 -15.100
   96   HG22  THR  82          HG22      THR  82 -10.351  -6.879 -14.811
   97   HG23  THR  82          HG23      THR  82 -11.075  -5.285 -15.136
   98    H    GLY  83           H        GLY  83 -12.751  -4.769 -10.799
   99    HA2  GLY  83           HA2      GLY  83 -12.860  -4.574  -8.503
  100    HA3  GLY  83           HA3      GLY  83 -11.623  -5.815  -8.303
  101    H    LYS  84           H        LYS  84 -10.435  -3.514 -10.487
  102    HA   LYS  84           HA       LYS  84  -8.483  -2.313  -8.731
  103    HB2  LYS  84           HB2      LYS  84  -9.503  -1.598 -11.516
  104    HB3  LYS  84           HB3      LYS  84  -8.203  -0.717 -10.691
  105    HG2  LYS  84           HG2      LYS  84  -6.882  -2.756 -10.457
  106    HG3  LYS  84           HG3      LYS  84  -8.150  -3.717 -11.223
  107    HD2  LYS  84           HD2      LYS  84  -7.916  -2.366 -13.313
  108    HD3  LYS  84           HD3      LYS  84  -6.584  -1.455 -12.554
  109    HE2  LYS  84           HE2      LYS  84  -5.326  -3.584 -12.245
  110    HE3  LYS  84           HE3      LYS  84  -6.648  -4.477 -13.008
  111    HZ1  LYS  84           HZ1      LYS  84  -4.992  -2.388 -14.349
  112    HZ2  LYS  84           HZ2      LYS  84  -4.881  -3.996 -14.605
  113    HZ3  LYS  84           HZ3      LYS  84  -6.227  -3.192 -15.061
  114    H    THR  85           H        THR  85  -8.334  -0.230  -7.893
  115    HA   THR  85           HA       THR  85 -10.895   1.305  -7.621
  116    HB   THR  85           HB       THR  85 -10.216   1.737  -5.237
  117    HG1  THR  85           HG1      THR  85  -8.737   0.251  -4.324
  118   HG21  THR  85          HG21      THR  85 -10.735  -1.185  -5.920
  119   HG22  THR  85          HG22      THR  85 -11.015  -0.401  -4.351
  120   HG23  THR  85          HG23      THR  85 -11.957   0.095  -5.764
  121    H    TRP  86           H        TRP  86 -10.761   3.464  -6.897
  122    HA   TRP  86           HA       TRP  86  -8.175   4.847  -6.880
  123    HB2  TRP  86           HB2      TRP  86  -8.799   4.809  -9.279
  124    HB3  TRP  86           HB3      TRP  86 -10.328   5.589  -8.901
  125    HD1  TRP  86           HD1      TRP  86  -6.580   6.396  -8.174
  126    HE1  TRP  86           HE1      TRP  86  -6.218   8.933  -8.450
  127    HE3  TRP  86           HE3      TRP  86 -11.289   7.749  -9.652
  128    HZ2  TRP  86           HZ2      TRP  86  -7.763  11.230  -9.215
  129    HZ3  TRP  86           HZ3      TRP  86 -11.841  10.137 -10.027
  130    HH2  TRP  86           HH2      TRP  86 -10.130  11.875  -9.739
  131    H    SER  87           H        SER  87  -8.487   7.182  -6.147
  132    HA   SER  87           HA       SER  87 -10.813   7.361  -4.257
  133    HB2  SER  87           HB2      SER  87  -9.140   8.041  -2.549
  134    HB3  SER  87           HB3      SER  87  -8.808   6.431  -3.210
  135    HG   SER  87           HG       SER  87  -6.894   7.672  -3.162
  136    H    GLY  88           H        GLY  88  -9.912   9.091  -6.820
  137    HA2  GLY  88           HA2      GLY  88 -10.859  11.187  -7.312
  138    HA3  GLY  88           HA3      GLY  88 -11.097  11.505  -5.613
  139    H    ARG  89           H        ARG  89  -7.857  10.574  -6.232
  140    HA   ARG  89           HA       ARG  89  -6.887  13.354  -6.629
  141    HB2  ARG  89           HB2      ARG  89  -5.350  13.199  -4.747
  142    HB3  ARG  89           HB3      ARG  89  -7.022  13.054  -4.216
  143    HG2  ARG  89           HG2      ARG  89  -6.733  10.559  -4.055
  144    HG3  ARG  89           HG3      ARG  89  -5.045  10.753  -4.546
  145    HD2  ARG  89           HD2      ARG  89  -5.093  10.534  -2.162
  146    HD3  ARG  89           HD3      ARG  89  -4.672  12.211  -2.550
  147    HE   ARG  89           HE       ARG  89  -7.536  11.804  -2.146
  148   HH11  ARG  89          HH11      ARG  89  -4.578  12.327  -0.334
  149   HH12  ARG  89          HH12      ARG  89  -5.424  13.003   1.030
  150   HH21  ARG  89          HH21      ARG  89  -8.548  12.706  -0.386
  151   HH22  ARG  89          HH22      ARG  89  -7.622  13.196   1.000
  152    H    GLY  90           H        GLY  90  -4.708  13.569  -7.275
  153    HA2  GLY  90           HA2      GLY  90  -2.931  13.048  -8.678
  154    HA3  GLY  90           HA3      GLY  90  -3.123  11.346  -8.268
  155    H    ARG  91           H        ARG  91  -2.490  11.326 -10.668
  156    HA   ARG  91           HA       ARG  91  -4.401  11.967 -12.727
  157    HB2  ARG  91           HB2      ARG  91  -2.061  11.724 -13.132
  158    HB3  ARG  91           HB3      ARG  91  -2.091  10.004 -12.690
  159    HG2  ARG  91           HG2      ARG  91  -3.568   9.531 -14.624
  160    HG3  ARG  91           HG3      ARG  91  -3.628  11.258 -15.019
  161    HD2  ARG  91           HD2      ARG  91  -1.186  11.266 -15.391
  162    HD3  ARG  91           HD3      ARG  91  -1.100   9.547 -15.002
  163    HE   ARG  91           HE       ARG  91  -2.177  10.810 -17.457
  164   HH11  ARG  91          HH11      ARG  91  -1.845   7.759 -15.746
  165   HH12  ARG  91          HH12      ARG  91  -2.144   6.820 -17.181
  166   HH21  ARG  91          HH21      ARG  91  -2.555   9.556 -19.232
  167   HH22  ARG  91          HH22      ARG  91  -2.543   7.822 -19.111
  168    H    GLN  92           H        GLN  92  -6.292  10.998 -13.189
  169    HA   GLN  92           HA       GLN  92  -7.307   8.703 -11.878
  170    HB2  GLN  92           HB2      GLN  92  -9.101   8.758 -13.567
  171    HB3  GLN  92           HB3      GLN  92  -8.815  10.316 -12.791
  172    HG2  GLN  92           HG2      GLN  92  -7.684  11.144 -14.817
  173    HG3  GLN  92           HG3      GLN  92  -7.789   9.541 -15.561
  174   HE21  GLN  92          HE22      GLN  92  -9.863  12.245 -14.324
  175   HE22  GLN  92          HE21      GLN  92 -11.185  11.876 -15.418
  176    HA   PRO  93           HA       PRO  93  -5.712   5.334 -14.427
  177    HB2  PRO  93           HB2      PRO  93  -7.406   3.318 -13.818
  178    HB3  PRO  93           HB3      PRO  93  -6.282   3.998 -12.607
  179    HG2  PRO  93           HG2      PRO  93  -9.218   4.682 -12.996
  180    HG3  PRO  93           HG3      PRO  93  -8.374   4.245 -11.478
  181    HD2  PRO  93           HD2      PRO  93  -8.816   6.845 -12.216
  182    HD3  PRO  93           HD3      PRO  93  -7.340   6.351 -11.333
  183    H    ALA  94           H        ALA  94  -6.287   4.008 -16.306
  184    HA   ALA  94           HA       ALA  94  -7.651   5.468 -18.256
  185    HB1  ALA  94           HB1      ALA  94  -5.857   3.848 -18.700
  186    HB2  ALA  94           HB2      ALA  94  -6.926   2.501 -18.241
  187    HB3  ALA  94           HB3      ALA  94  -7.290   3.479 -19.679
  188    H    TRP  95           H        TRP  95  -8.971   2.730 -16.334
  189    HA   TRP  95           HA       TRP  95 -11.394   2.416 -17.834
  190    HB2  TRP  95           HB2      TRP  95 -12.231   1.276 -15.774
  191    HB3  TRP  95           HB3      TRP  95 -10.732   0.643 -16.434
  192    HD1  TRP  95           HD1      TRP  95  -8.600   0.745 -14.960
  193    HE1  TRP  95           HE1      TRP  95  -8.195   1.137 -12.461
  194    HE3  TRP  95           HE3      TRP  95 -13.225   2.626 -13.656
  195    HZ2  TRP  95           HZ2      TRP  95  -9.672   2.068 -10.197
  196    HZ3  TRP  95           HZ3      TRP  95 -13.684   3.181 -11.300
  197    HH2  TRP  95           HH2      TRP  95 -11.935   2.913  -9.570
  198    H    LEU  96           H        LEU  96 -10.508   4.930 -15.564
  199    HA   LEU  96           HA       LEU  96 -13.181   5.641 -14.794
  200    HB2  LEU  96           HB2      LEU  96 -10.729   6.338 -13.863
  201    HB3  LEU  96           HB3      LEU  96 -11.019   7.709 -14.921
  202    HG   LEU  96           HG       LEU  96 -13.426   7.687 -13.685
  203   HD11  LEU  96          HD11      LEU  96 -12.900   5.618 -12.391
  204   HD12  LEU  96          HD12      LEU  96 -11.526   6.444 -11.643
  205   HD13  LEU  96          HD13      LEU  96 -13.177   7.013 -11.329
  206   HD21  LEU  96          HD21      LEU  96 -10.957   8.769 -12.306
  207   HD22  LEU  96          HD22      LEU  96 -11.829   9.569 -13.632
  208   HD23  LEU  96          HD23      LEU  96 -12.638   9.299 -12.087
  209    H    GLY  97           H        GLY  97 -11.423   6.118 -17.732
  210    HA2  GLY  97           HA2      GLY  97 -12.497   8.686 -18.495
  211    HA3  GLY  97           HA3      GLY  97 -11.471   7.626 -19.457
  212    H    ASN  98           H        ASN  98 -14.798   7.163 -18.137
  213    HA   ASN  98           HA       ASN  98 -15.928   7.225 -20.872
  214    HB2  ASN  98           HB2      ASN  98 -15.190   4.892 -20.650
  215    HB3  ASN  98           HB3      ASN  98 -16.054   4.723 -19.130
  216   HD21  ASN  98          HD22      ASN  98 -17.571   3.138 -19.762
  217   HD22  ASN  98          HD21      ASN  98 -18.731   3.414 -21.053
  218    H    ASP  99           H        ASP  99 -17.081   6.072 -17.632
  219    HA   ASP  99           HA       ASP  99 -19.102   8.221 -17.519
  220    HB2  ASP  99           HB2      ASP  99 -20.133   6.613 -19.028
  221    HB3  ASP  99           HB3      ASP  99 -19.841   5.299 -17.885
  222    HA   PRO 100           HA       PRO 100 -17.144   7.270 -13.453
  223    HB2  PRO 100           HB2      PRO 100 -18.785   9.716 -12.891
  224    HB3  PRO 100           HB3      PRO 100 -17.183   9.215 -12.237
  225    HG2  PRO 100           HG2      PRO 100 -17.305  10.959 -14.306
  226    HG3  PRO 100           HG3      PRO 100 -16.103   9.627 -14.315
  227    HD2  PRO 100           HD2      PRO 100 -18.711   9.821 -15.803
  228    HD3  PRO 100           HD3      PRO 100 -17.149   9.127 -16.326
  229    H    ALA 101           H        ALA 101 -20.656   7.903 -13.824
  230    HA   ALA 101           HA       ALA 101 -21.379   6.899 -11.285
  231    HB1  ALA 101           HB1      ALA 101 -23.000   7.054 -13.865
  232    HB2  ALA 101           HB2      ALA 101 -23.671   6.883 -12.227
  233    HB3  ALA 101           HB3      ALA 101 -22.805   8.364 -12.677
  234    H    ALA 102           H        ALA 102 -20.479   5.071 -14.134
  235    HA   ALA 102           HA       ALA 102 -21.901   2.639 -13.498
  236    HB1  ALA 102           HB1      ALA 102 -20.425   1.671 -15.205
  237    HB2  ALA 102           HB2      ALA 102 -21.067   3.227 -15.758
  238    HB3  ALA 102           HB3      ALA 102 -19.394   3.115 -15.167
  239    H    PHE 103           H        PHE 103 -18.911   4.012 -12.279
  240    HA   PHE 103           HA       PHE 103 -18.395   1.555 -10.656
  241    HB2  PHE 103           HB2      PHE 103 -15.915   2.015 -11.158
  242    HB3  PHE 103           HB3      PHE 103 -16.915   1.253 -12.383
  243    HD1  PHE 103           HD1      PHE 103 -15.689   4.630 -11.345
  244    HD2  PHE 103           HD2      PHE 103 -16.961   2.079 -14.573
  245    HE1  PHE 103           HE1      PHE 103 -15.214   6.437 -12.960
  246    HE2  PHE 103           HE2      PHE 103 -16.480   3.888 -16.198
  247    HZ   PHE 103           HZ       PHE 103 -15.605   6.070 -15.396
  248    H    LEU 104           H        LEU 104 -19.000   4.862 -10.385
  249    HA   LEU 104           HA       LEU 104 -17.424   5.580  -8.122
  250    HB2  LEU 104           HB2      LEU 104 -20.086   6.332  -9.266
  251    HB3  LEU 104           HB3      LEU 104 -19.875   6.675  -7.559
  252    HG   LEU 104           HG       LEU 104 -17.880   7.596  -9.635
  253   HD11  LEU 104          HD11      LEU 104 -18.966   9.812  -9.480
  254   HD12  LEU 104          HD12      LEU 104 -20.065   8.597 -10.142
  255   HD13  LEU 104          HD13      LEU 104 -20.239   9.122  -8.453
  256   HD21  LEU 104          HD21      LEU 104 -17.313   9.268  -7.823
  257   HD22  LEU 104          HD22      LEU 104 -18.439   8.428  -6.740
  258   HD23  LEU 104          HD23      LEU 104 -16.985   7.610  -7.347
  259    H    ILE 105           H        ILE 105 -17.510   5.076  -5.964
  260    HA   ILE 105           HA       ILE 105 -19.152   2.817  -5.041
  261    HB   ILE 105           HB       ILE 105 -17.307   4.733  -3.550
  262   HG12  ILE 105          HG12      ILE 105 -16.951   1.785  -4.260
  263   HG13  ILE 105          HG13      ILE 105 -16.276   3.110  -5.203
  264   HG21  ILE 105          HG21      ILE 105 -18.744   2.231  -2.535
  265   HG22  ILE 105          HG22      ILE 105 -17.555   3.185  -1.627
  266   HG23  ILE 105          HG23      ILE 105 -19.102   3.902  -2.033
  267   HD11  ILE 105          HD11      ILE 105 -15.121   3.931  -3.128
  268   HD12  ILE 105          HD12      ILE 105 -15.560   2.390  -2.353
  269   HD13  ILE 105          HD13      ILE 105 -14.528   2.388  -3.797
  270    H    GLN 106           H        GLN 106 -21.219   2.981  -4.465
  271    HA   GLN 106           HA       GLN 106 -22.407   5.595  -3.706
  272    HB2  GLN 106           HB2      GLN 106 -24.126   5.315  -5.477
  273    HB3  GLN 106           HB3      GLN 106 -22.492   5.526  -6.113
  274    HG2  GLN 106           HG2      GLN 106 -22.457   2.924  -6.342
  275    HG3  GLN 106           HG3      GLN 106 -24.193   3.009  -6.058
  276   HE21  GLN 106          HE22      GLN 106 -21.562   3.742  -8.299
  277   HE22  GLN 106          HE21      GLN 106 -22.602   4.120  -9.677
  278    HA   PRO 107           HA       PRO 107 -24.944   3.092  -1.075
  279    HB2  PRO 107           HB2      PRO 107 -26.951   4.768  -0.378
  280    HB3  PRO 107           HB3      PRO 107 -25.240   5.129  -0.019
  281    HG2  PRO 107           HG2      PRO 107 -26.856   6.103  -2.407
  282    HG3  PRO 107           HG3      PRO 107 -25.930   7.089  -1.221
  283    HD2  PRO 107           HD2      PRO 107 -24.847   6.305  -3.592
  284    HD3  PRO 107           HD3      PRO 107 -23.868   6.387  -2.099
  285    H    ASP 108           H        ASP 108 -25.285   2.268  -3.768
  286    HA   ASP 108           HA       ASP 108 -27.922   1.906  -4.582
  287    HB2  ASP 108           HB2      ASP 108 -25.881   1.335  -5.880
  288    HB3  ASP 108           HB3      ASP 108 -25.627  -0.061  -4.828
  289    H    LEU 109           H        LEU 109 -26.278   0.562  -1.908
  290    HA   LEU 109           HA       LEU 109 -28.639  -0.944  -1.009
  291    HB2  LEU 109           HB2      LEU 109 -25.692  -1.636  -0.576
  292    HB3  LEU 109           HB3      LEU 109 -26.974  -2.272   0.422
  293    HG   LEU 109           HG       LEU 109 -26.377  -3.977  -1.043
  294   HD11  LEU 109          HD11      LEU 109 -28.420  -4.535  -2.192
  295   HD12  LEU 109          HD12      LEU 109 -28.817  -3.730  -0.664
  296   HD13  LEU 109          HD13      LEU 109 -28.943  -2.839  -2.199
  297   HD21  LEU 109          HD21      LEU 109 -26.893  -2.249  -3.478
  298   HD22  LEU 109          HD22      LEU 109 -25.284  -2.616  -2.818
  299   HD23  LEU 109          HD23      LEU 109 -26.318  -3.918  -3.433
  300    HA   PRO 110           HA       PRO 110 -28.601   2.161   2.043
  301    HB2  PRO 110           HB2      PRO 110 -29.831   1.018   4.229
  302    HB3  PRO 110           HB3      PRO 110 -30.667   1.451   2.708
  303    HG2  PRO 110           HG2      PRO 110 -29.576  -1.259   3.523
  304    HG3  PRO 110           HG3      PRO 110 -31.195  -0.874   2.842
  305    HD2  PRO 110           HD2      PRO 110 -29.175  -1.796   1.274
  306    HD3  PRO 110           HD3      PRO 110 -30.300  -0.533   0.678
  307    H    ALA 111           H        ALA 111 -27.546   3.052   3.750
  308    HA   ALA 111           HA       ALA 111 -25.904   1.391   5.574
  309    HB1  ALA 111           HB1      ALA 111 -24.451   2.155   3.692
  310    HB2  ALA 111           HB2      ALA 111 -24.902   3.839   4.032
  311    HB3  ALA 111           HB3      ALA 111 -23.965   2.909   5.222
  312    H    ILE 112           H        ILE 112 -28.370   2.409   6.038
  313    HA   ILE 112           HA       ILE 112 -27.976   4.411   8.191
  314    HB   ILE 112           HB       ILE 112 -30.072   5.618   7.432
  315   HG12  ILE 112          HG12      ILE 112 -29.530   4.362   4.708
  316   HG13  ILE 112          HG13      ILE 112 -30.783   3.751   5.790
  317   HG21  ILE 112          HG21      ILE 112 -28.902   7.087   5.917
  318   HG22  ILE 112          HG22      ILE 112 -27.739   6.483   7.099
  319   HG23  ILE 112          HG23      ILE 112 -27.768   5.801   5.456
  320   HD11  ILE 112          HD11      ILE 112 -31.873   6.004   5.762
  321   HD12  ILE 112          HD12      ILE 112 -30.670   6.538   4.561
  322   HD13  ILE 112          HD13      ILE 112 -31.793   5.230   4.165
  323    H    LEU 113           H        LEU 113 -27.945   2.204   8.967
  324    HA   LEU 113           HA       LEU 113 -30.551   1.466  10.174
  325    HB2  LEU 113           HB2      LEU 113 -30.268   0.224   8.034
  326    HB3  LEU 113           HB3      LEU 113 -28.752  -0.439   8.607
  327    HG   LEU 113           HG       LEU 113 -30.716  -1.976   8.618
  328   HD11  LEU 113          HD11      LEU 113 -28.747  -2.396  10.093
  329   HD12  LEU 113          HD12      LEU 113 -29.636  -1.643  11.433
  330   HD13  LEU 113          HD13      LEU 113 -30.271  -3.102  10.663
  331   HD21  LEU 113          HD21      LEU 113 -32.442  -0.351   9.359
  332   HD22  LEU 113          HD22      LEU 113 -32.434  -1.852  10.302
  333   HD23  LEU 113          HD23      LEU 113 -31.738  -0.381  10.998
  334    H    GLU 114           H        GLU 114 -30.286   1.133  12.288
  335    HA   GLU 114           HA       GLU 114 -27.726   0.196  13.490
  336    HB2  GLU 114           HB2      GLU 114 -29.174   2.696  14.378
  337    HB3  GLU 114           HB3      GLU 114 -27.814   1.889  15.168
  338    HG2  GLU 114           HG2      GLU 114 -26.391   2.322  13.175
  339    HG3  GLU 114           HG3      GLU 114 -27.725   3.206  12.423
  Start of MODEL   18
    1    H1   MET  71           H1       MET  71  -8.374   7.160   8.599
    2    H2   MET  71           H2       MET  71  -7.126   6.321   9.247
    3    H3   MET  71           H3       MET  71  -7.189   7.945   9.403
    4    HA   MET  71           HA       MET  71  -5.549   7.342   7.746
    5    HB2  MET  71           HB2      MET  71  -6.689   5.197   7.109
    6    HB3  MET  71           HB3      MET  71  -7.899   6.116   6.217
    7    HG2  MET  71           HG2      MET  71  -6.179   5.193   4.747
    8    HG3  MET  71           HG3      MET  71  -6.162   6.947   4.684
    9    HE1  MET  71           HE1      MET  71  -3.870   5.264   3.434
   10    HE2  MET  71           HE2      MET  71  -3.840   7.042   3.494
   11    HE3  MET  71           HE3      MET  71  -2.422   6.111   4.020
   12    H    SER  72           H        SER  72  -5.041   8.899   6.146
   13    HA   SER  72           HA       SER  72  -6.484  11.344   6.303
   14    HB2  SER  72           HB2      SER  72  -4.824  12.112   4.616
   15    HB3  SER  72           HB3      SER  72  -4.101  11.278   6.007
   16    HG   SER  72           HG       SER  72  -3.221  10.533   4.000
   17    H    THR  73           H        THR  73  -6.621   8.806   3.851
   18    HA   THR  73           HA       THR  73  -8.898  10.179   2.476
   19    HB   THR  73           HB       THR  73  -8.160   9.668   0.360
   20    HG1  THR  73           HG1      THR  73  -5.627   8.899   1.400
   21   HG21  THR  73          HG21      THR  73  -6.344  11.226  -0.007
   22   HG22  THR  73          HG22      THR  73  -7.463  11.864   1.209
   23   HG23  THR  73          HG23      THR  73  -5.901  11.182   1.708
   24    H    VAL  74           H        VAL  74 -10.103   8.701   1.028
   25    HA   VAL  74           HA       VAL  74  -9.891   5.811   1.625
   26    HB   VAL  74           HB       VAL  74 -12.364   5.649   1.928
   27   HG11  VAL  74          HG11      VAL  74 -10.813   5.571   3.860
   28   HG12  VAL  74          HG12      VAL  74 -11.040   7.317   4.089
   29   HG13  VAL  74          HG13      VAL  74 -12.410   6.216   4.270
   30   HG21  VAL  74          HG21      VAL  74 -13.676   7.575   2.644
   31   HG22  VAL  74          HG22      VAL  74 -12.301   8.660   2.372
   32   HG23  VAL  74          HG23      VAL  74 -13.074   7.831   1.002
   33    HA   PRO  75           HA       PRO  75 -10.834   5.237  -2.707
   34    HB2  PRO  75           HB2      PRO  75 -12.910   3.274  -1.766
   35    HB3  PRO  75           HB3      PRO  75 -11.700   3.118  -3.087
   36    HG2  PRO  75           HG2      PRO  75 -11.261   1.947  -0.692
   37    HG3  PRO  75           HG3      PRO  75  -9.926   2.825  -1.508
   38    HD2  PRO  75           HD2      PRO  75 -11.711   3.778   0.741
   39    HD3  PRO  75           HD3      PRO  75  -9.940   3.954   0.544
   40    H    LYS  76           H        LYS  76 -12.277   5.739  -4.298
   41    HA   LYS  76           HA       LYS  76 -15.009   6.821  -3.630
   42    HB2  LYS  76           HB2      LYS  76 -12.982   8.037  -5.524
   43    HB3  LYS  76           HB3      LYS  76 -14.700   8.461  -5.396
   44    HG2  LYS  76           HG2      LYS  76 -14.355   9.135  -3.033
   45    HG3  LYS  76           HG3      LYS  76 -12.622   8.793  -3.200
   46    HD2  LYS  76           HD2      LYS  76 -12.552  10.407  -5.142
   47    HD3  LYS  76           HD3      LYS  76 -14.231  10.833  -4.824
   48    HE2  LYS  76           HE2      LYS  76 -11.926  11.163  -2.835
   49    HE3  LYS  76           HE3      LYS  76 -12.493  12.434  -3.922
   50    HZ1  LYS  76           HZ1      LYS  76 -13.516  12.667  -1.741
   51    HZ2  LYS  76           HZ2      LYS  76 -14.680  12.325  -2.826
   52    HZ3  LYS  76           HZ3      LYS  76 -14.157  11.170  -1.787
   53    H    TYR  77           H        TYR  77 -12.990   5.102  -5.972
   54    HA   TYR  77           HA       TYR  77 -15.464   4.208  -7.410
   55    HB2  TYR  77           HB2      TYR  77 -12.826   4.936  -8.726
   56    HB3  TYR  77           HB3      TYR  77 -14.312   4.465  -9.520
   57    HD1  TYR  77           HD1      TYR  77 -12.637   7.148  -7.576
   58    HD2  TYR  77           HD2      TYR  77 -15.944   6.146 -10.147
   59    HE1  TYR  77           HE1      TYR  77 -13.143   9.572  -7.882
   60    HE2  TYR  77           HE2      TYR  77 -16.366   8.555 -10.548
   61    HH   TYR  77           HH       TYR  77 -15.754  10.732 -10.042
   62    H    ARG  78           H        ARG  78 -15.387   2.118  -8.295
   63    HA   ARG  78           HA       ARG  78 -12.898   0.557  -8.121
   64    HB2  ARG  78           HB2      ARG  78 -14.079   0.227  -5.923
   65    HB3  ARG  78           HB3      ARG  78 -15.438  -0.491  -6.797
   66    HG2  ARG  78           HG2      ARG  78 -13.980  -2.287  -7.656
   67    HG3  ARG  78           HG3      ARG  78 -12.556  -1.470  -7.001
   68    HD2  ARG  78           HD2      ARG  78 -13.642  -1.740  -4.679
   69    HD3  ARG  78           HD3      ARG  78 -14.765  -2.863  -5.472
   70    HE   ARG  78           HE       ARG  78 -11.965  -3.442  -6.069
   71   HH11  ARG  78          HH21      ARG  78 -14.347  -3.993  -3.548
   72   HH12  ARG  78          HH22      ARG  78 -13.485  -5.366  -2.916
   73   HH21  ARG  78          HH11      ARG  78 -10.927  -5.171  -5.221
   74   HH22  ARG  78          HH12      ARG  78 -11.593  -6.023  -3.855
   75    H    ASP  79           H        ASP  79 -12.602  -0.323  -9.996
   76    HA   ASP  79           HA       ASP  79 -14.501  -0.479 -12.119
   77    HB2  ASP  79           HB2      ASP  79 -12.152  -0.242 -12.552
   78    HB3  ASP  79           HB3      ASP  79 -11.777  -1.719 -11.674
   79    HA   PRO  80           HA       PRO  80 -16.242  -4.422 -10.625
   80    HB2  PRO  80           HB2      PRO  80 -18.213  -4.819 -12.494
   81    HB3  PRO  80           HB3      PRO  80 -18.320  -3.611 -11.181
   82    HG2  PRO  80           HG2      PRO  80 -17.430  -3.170 -14.050
   83    HG3  PRO  80           HG3      PRO  80 -18.645  -2.236 -13.109
   84    HD2  PRO  80           HD2      PRO  80 -16.078  -1.380 -13.340
   85    HD3  PRO  80           HD3      PRO  80 -16.964  -1.213 -11.794
   86    H    ALA  81           H        ALA  81 -14.828  -3.965 -13.836
   87    HA   ALA  81           HA       ALA  81 -15.050  -6.727 -14.677
   88    HB1  ALA  81           HB1      ALA  81 -14.976  -4.822 -16.239
   89    HB2  ALA  81           HB2      ALA  81 -13.321  -4.446 -15.712
   90    HB3  ALA  81           HB3      ALA  81 -13.665  -5.975 -16.547
   91    H    THR  82           H        THR  82 -12.512  -4.868 -13.029
   92    HA   THR  82           HA       THR  82 -10.795  -7.332 -12.807
   93    HB   THR  82           HB       THR  82  -8.897  -6.010 -12.897
   94    HG1  THR  82           HG1      THR  82 -10.662  -3.820 -13.373
   95   HG21  THR  82          HG21      THR  82  -9.973  -6.893 -14.946
   96   HG22  THR  82          HG22      THR  82 -10.670  -5.284 -15.250
   97   HG23  THR  82          HG23      THR  82  -8.900  -5.494 -15.226
   98    H    GLY  83           H        GLY  83 -12.374  -4.852 -10.922
   99    HA2  GLY  83           HA2      GLY  83 -12.582  -4.815  -8.607
  100    HA3  GLY  83           HA3      GLY  83 -11.222  -5.926  -8.438
  101    H    LYS  84           H        LYS  84 -10.105  -3.528 -10.455
  102    HA   LYS  84           HA       LYS  84  -8.313  -2.300  -8.592
  103    HB2  LYS  84           HB2      LYS  84  -9.230  -1.536 -11.397
  104    HB3  LYS  84           HB3      LYS  84  -7.974  -0.659 -10.509
  105    HG2  LYS  84           HG2      LYS  84  -6.651  -2.711 -10.262
  106    HG3  LYS  84           HG3      LYS  84  -7.882  -3.644 -11.122
  107    HD2  LYS  84           HD2      LYS  84  -7.550  -2.219 -13.146
  108    HD3  LYS  84           HD3      LYS  84  -6.273  -1.324 -12.290
  109    HE2  LYS  84           HE2      LYS  84  -4.998  -3.446 -12.006
  110    HE3  LYS  84           HE3      LYS  84  -6.268  -4.325 -12.862
  111    HZ1  LYS  84           HZ1      LYS  84  -4.606  -2.157 -14.054
  112    HZ2  LYS  84           HZ2      LYS  84  -4.426  -3.747 -14.348
  113    HZ3  LYS  84           HZ3      LYS  84  -5.778  -2.982 -14.848
  114    H    THR  85           H        THR  85  -8.223  -0.246  -7.696
  115    HA   THR  85           HA       THR  85 -10.826   1.210  -7.386
  116    HB   THR  85           HB       THR  85  -9.978   1.757  -5.066
  117    HG1  THR  85           HG1      THR  85  -8.373   0.376  -4.239
  118   HG21  THR  85          HG21      THR  85 -11.693   0.058  -5.357
  119   HG22  THR  85          HG22      THR  85 -10.454  -1.191  -5.665
  120   HG23  THR  85          HG23      THR  85 -10.576  -0.416  -4.071
  121    H    TRP  86           H        TRP  86 -10.768   3.425  -6.788
  122    HA   TRP  86           HA       TRP  86  -8.217   4.867  -6.875
  123    HB2  TRP  86           HB2      TRP  86  -8.958   4.761  -9.249
  124    HB3  TRP  86           HB3      TRP  86 -10.440   5.599  -8.818
  125    HD1  TRP  86           HD1      TRP  86  -6.638   6.252  -8.268
  126    HE1  TRP  86           HE1      TRP  86  -6.156   8.753  -8.600
  127    HE3  TRP  86           HE3      TRP  86 -11.331   7.828  -9.567
  128    HZ2  TRP  86           HZ2      TRP  86  -7.608  11.126  -9.343
  129    HZ3  TRP  86           HZ3      TRP  86 -11.777  10.236  -9.960
  130    HH2  TRP  86           HH2      TRP  86  -9.960  11.886  -9.802
  131    H    SER  87           H        SER  87  -8.409   7.086  -6.079
  132    HA   SER  87           HA       SER  87 -10.752   7.487  -4.249
  133    HB2  SER  87           HB2      SER  87  -9.045   7.959  -2.484
  134    HB3  SER  87           HB3      SER  87  -8.904   6.318  -3.134
  135    HG   SER  87           HG       SER  87  -6.848   7.361  -3.002
  136    H    GLY  88           H        GLY  88  -9.426   9.136  -6.733
  137    HA2  GLY  88           HA2      GLY  88 -10.144  11.334  -7.198
  138    HA3  GLY  88           HA3      GLY  88 -10.265  11.697  -5.495
  139    H    ARG  89           H        ARG  89  -7.221  10.284  -6.187
  140    HA   ARG  89           HA       ARG  89  -5.864  12.916  -6.624
  141    HB2  ARG  89           HB2      ARG  89  -5.207  10.894  -4.429
  142    HB3  ARG  89           HB3      ARG  89  -4.192  12.270  -4.876
  143    HG2  ARG  89           HG2      ARG  89  -6.101  13.808  -4.319
  144    HG3  ARG  89           HG3      ARG  89  -6.997  12.398  -3.706
  145    HD2  ARG  89           HD2      ARG  89  -5.186  11.953  -2.082
  146    HD3  ARG  89           HD3      ARG  89  -4.290  13.354  -2.705
  147    HE   ARG  89           HE       ARG  89  -6.946  14.133  -1.910
  148   HH11  ARG  89          HH11      ARG  89  -3.843  13.368  -0.458
  149   HH12  ARG  89          HH12      ARG  89  -4.144  14.367   0.936
  150   HH21  ARG  89          HH21      ARG  89  -7.272  15.378  -0.094
  151   HH22  ARG  89          HH22      ARG  89  -6.053  15.457   1.139
  152    H    GLY  90           H        GLY  90  -3.636  12.754  -7.275
  153    HA2  GLY  90           HA2      GLY  90  -1.962  11.939  -8.685
  154    HA3  GLY  90           HA3      GLY  90  -2.583  10.304  -8.476
  155    H    ARG  91           H        ARG  91  -1.931  10.376 -10.850
  156    HA   ARG  91           HA       ARG  91  -3.548  11.712 -12.846
  157    HB2  ARG  91           HB2      ARG  91  -1.956   9.150 -13.088
  158    HB3  ARG  91           HB3      ARG  91  -2.654  10.132 -14.396
  159    HG2  ARG  91           HG2      ARG  91  -1.227  12.048 -13.731
  160    HG3  ARG  91           HG3      ARG  91  -0.481  11.056 -12.471
  161    HD2  ARG  91           HD2      ARG  91   0.310   9.456 -14.187
  162    HD3  ARG  91           HD3      ARG  91  -0.413  10.440 -15.459
  163    HE   ARG  91           HE       ARG  91   2.037  10.987 -13.905
  164   HH11  ARG  91          HH11      ARG  91  -0.246  12.404 -16.173
  165   HH12  ARG  91          HH12      ARG  91   0.863  13.666 -16.624
  166   HH21  ARG  91          HH21      ARG  91   3.393  12.622 -14.539
  167   HH22  ARG  91          HH22      ARG  91   2.868  13.777 -15.727
  168    H    GLN  92           H        GLN  92  -5.323  11.068 -13.987
  169    HA   GLN  92           HA       GLN  92  -7.309   9.492 -12.700
  170    HB2  GLN  92           HB2      GLN  92  -7.647  11.378 -14.371
  171    HB3  GLN  92           HB3      GLN  92  -7.156  10.253 -15.643
  172    HG2  GLN  92           HG2      GLN  92  -9.113   8.756 -14.504
  173    HG3  GLN  92           HG3      GLN  92  -9.673  10.344 -13.998
  174   HE21  GLN  92          HE22      GLN  92  -9.376   8.085 -16.645
  175   HE22  GLN  92          HE21      GLN  92 -10.126   9.124 -17.862
  176    HA   PRO  93           HA       PRO  93  -6.137   5.348 -14.283
  177    HB2  PRO  93           HB2      PRO  93  -8.973   4.634 -13.668
  178    HB3  PRO  93           HB3      PRO  93  -7.452   3.853 -13.141
  179    HG2  PRO  93           HG2      PRO  93  -8.992   5.386 -11.470
  180    HG3  PRO  93           HG3      PRO  93  -7.205   5.309 -11.338
  181    HD2  PRO  93           HD2      PRO  93  -8.915   7.461 -12.557
  182    HD3  PRO  93           HD3      PRO  93  -7.399   7.602 -11.608
  183    H    ALA  94           H        ALA  94  -6.533   4.213 -16.242
  184    HA   ALA  94           HA       ALA  94  -7.812   5.621 -18.363
  185    HB1  ALA  94           HB1      ALA  94  -7.303   3.600 -19.682
  186    HB2  ALA  94           HB2      ALA  94  -5.925   4.078 -18.671
  187    HB3  ALA  94           HB3      ALA  94  -6.949   2.697 -18.191
  188    H    TRP  95           H        TRP  95  -8.951   2.773 -16.476
  189    HA   TRP  95           HA       TRP  95 -11.412   2.363 -17.851
  190    HB2  TRP  95           HB2      TRP  95 -12.117   1.198 -15.764
  191    HB3  TRP  95           HB3      TRP  95 -10.594   0.649 -16.441
  192    HD1  TRP  95           HD1      TRP  95  -8.419   0.953 -15.016
  193    HE1  TRP  95           HE1      TRP  95  -8.006   1.381 -12.524
  194    HE3  TRP  95           HE3      TRP  95 -13.155   2.447 -13.631
  195    HZ2  TRP  95           HZ2      TRP  95  -9.512   2.206 -10.235
  196    HZ3  TRP  95           HZ3      TRP  95 -13.626   2.970 -11.268
  197    HH2  TRP  95           HH2      TRP  95 -11.825   2.855  -9.564
  198    H    LEU  96           H        LEU  96 -10.572   4.845 -15.516
  199    HA   LEU  96           HA       LEU  96 -13.212   5.503 -14.680
  200    HB2  LEU  96           HB2      LEU  96 -10.749   6.297 -13.874
  201    HB3  LEU  96           HB3      LEU  96 -11.140   7.646 -14.929
  202    HG   LEU  96           HG       LEU  96 -13.463   7.597 -13.563
  203   HD11  LEU  96          HD11      LEU  96 -11.455   6.396 -11.601
  204   HD12  LEU  96          HD12      LEU  96 -13.103   6.945 -11.236
  205   HD13  LEU  96          HD13      LEU  96 -12.850   5.544 -12.294
  206   HD21  LEU  96          HD21      LEU  96 -11.942   9.511 -13.603
  207   HD22  LEU  96          HD22      LEU  96 -12.546   9.203 -11.974
  208   HD23  LEU  96          HD23      LEU  96 -10.890   8.721 -12.400
  209    H    GLY  97           H        GLY  97 -11.668   6.036 -17.733
  210    HA2  GLY  97           HA2      GLY  97 -12.830   8.527 -18.526
  211    HA3  GLY  97           HA3      GLY  97 -12.135   7.270 -19.571
  212    H    ASN  98           H        ASN  98 -13.934   5.209 -18.888
  213    HA   ASN  98           HA       ASN  98 -15.679   5.497 -21.059
  214    HB2  ASN  98           HB2      ASN  98 -15.691   3.499 -18.748
  215    HB3  ASN  98           HB3      ASN  98 -16.716   3.351 -20.173
  216   HD21  ASN  98          HD22      ASN  98 -15.802   2.609 -22.137
  217   HD22  ASN  98          HD21      ASN  98 -14.122   2.102 -22.231
  218    H    ASP  99           H        ASP  99 -16.768   5.367 -17.620
  219    HA   ASP  99           HA       ASP  99 -18.802   7.395 -18.004
  220    HB2  ASP  99           HB2      ASP  99 -19.982   5.564 -19.108
  221    HB3  ASP  99           HB3      ASP  99 -19.724   4.519 -17.718
  222    HA   PRO 100           HA       PRO 100 -16.832   7.193 -13.818
  223    HB2  PRO 100           HB2      PRO 100 -18.394   9.747 -13.710
  224    HB3  PRO 100           HB3      PRO 100 -16.794   9.337 -12.999
  225    HG2  PRO 100           HG2      PRO 100 -16.939  10.668 -15.366
  226    HG3  PRO 100           HG3      PRO 100 -15.746   9.354 -15.129
  227    HD2  PRO 100           HD2      PRO 100 -18.358   9.280 -16.625
  228    HD3  PRO 100           HD3      PRO 100 -16.805   8.464 -16.994
  229    H    ALA 101           H        ALA 101 -20.332   7.788 -14.341
  230    HA   ALA 101           HA       ALA 101 -21.138   7.292 -11.656
  231    HB1  ALA 101           HB1      ALA 101 -22.477   8.551 -13.300
  232    HB2  ALA 101           HB2      ALA 101 -22.696   7.068 -14.264
  233    HB3  ALA 101           HB3      ALA 101 -23.395   7.185 -12.640
  234    H    ALA 102           H        ALA 102 -20.325   5.016 -14.235
  235    HA   ALA 102           HA       ALA 102 -22.018   2.855 -13.412
  236    HB1  ALA 102           HB1      ALA 102 -21.089   3.145 -15.684
  237    HB2  ALA 102           HB2      ALA 102 -19.447   2.845 -15.057
  238    HB3  ALA 102           HB3      ALA 102 -20.678   1.561 -15.010
  239    H    PHE 103           H        PHE 103 -18.856   3.857 -12.269
  240    HA   PHE 103           HA       PHE 103 -18.647   1.438 -10.523
  241    HB2  PHE 103           HB2      PHE 103 -16.114   1.681 -11.032
  242    HB3  PHE 103           HB3      PHE 103 -17.186   0.946 -12.210
  243    HD1  PHE 103           HD1      PHE 103 -15.802   4.317 -11.332
  244    HD2  PHE 103           HD2      PHE 103 -17.016   1.594 -14.444
  245    HE1  PHE 103           HE1      PHE 103 -15.167   5.987 -13.039
  246    HE2  PHE 103           HE2      PHE 103 -16.356   3.255 -16.156
  247    HZ   PHE 103           HZ       PHE 103 -15.465   5.467 -15.462
  248    H    LEU 104           H        LEU 104 -19.399   4.482 -10.066
  249    HA   LEU 104           HA       LEU 104 -17.562   5.326  -7.968
  250    HB2  LEU 104           HB2      LEU 104 -20.284   6.091  -8.939
  251    HB3  LEU 104           HB3      LEU 104 -19.949   6.410  -7.243
  252    HG   LEU 104           HG       LEU 104 -18.157   7.377  -9.477
  253   HD11  LEU 104          HD11      LEU 104 -19.210   9.580  -9.147
  254   HD12  LEU 104          HD12      LEU 104 -20.403   8.385  -9.675
  255   HD13  LEU 104          HD13      LEU 104 -20.339   8.880  -7.968
  256   HD21  LEU 104          HD21      LEU 104 -18.346   8.089  -6.506
  257   HD22  LEU 104          HD22      LEU 104 -16.964   7.362  -7.352
  258   HD23  LEU 104          HD23      LEU 104 -17.411   9.021  -7.695
  259    H    ILE 105           H        ILE 105 -17.465   4.662  -5.864
  260    HA   ILE 105           HA       ILE 105 -18.884   2.267  -4.985
  261    HB   ILE 105           HB       ILE 105 -17.082   4.147  -3.422
  262   HG12  ILE 105          HG12      ILE 105 -16.449   1.402  -4.607
  263   HG13  ILE 105          HG13      ILE 105 -16.051   2.913  -5.422
  264   HG21  ILE 105          HG21      ILE 105 -18.246   1.381  -2.844
  265   HG22  ILE 105          HG22      ILE 105 -16.999   2.170  -1.844
  266   HG23  ILE 105          HG23      ILE 105 -18.607   2.874  -1.948
  267   HD11  ILE 105          HD11      ILE 105 -14.781   3.630  -3.373
  268   HD12  ILE 105          HD12      ILE 105 -14.953   1.968  -2.763
  269   HD13  ILE 105          HD13      ILE 105 -14.078   2.262  -4.272
  270    H    GLN 106           H        GLN 106 -20.931   2.254  -4.377
  271    HA   GLN 106           HA       GLN 106 -22.429   4.679  -4.088
  272    HB2  GLN 106           HB2      GLN 106 -23.228   1.779  -3.601
  273    HB3  GLN 106           HB3      GLN 106 -24.353   3.127  -3.727
  274    HG2  GLN 106           HG2      GLN 106 -22.520   2.134  -5.959
  275    HG3  GLN 106           HG3      GLN 106 -24.247   1.861  -5.827
  276   HE21  GLN 106          HE22      GLN 106 -21.890   3.926  -7.183
  277   HE22  GLN 106          HE21      GLN 106 -23.000   5.226  -7.626
  278    HA   PRO 107           HA       PRO 107 -22.356   5.189   0.328
  279    HB2  PRO 107           HB2      PRO 107 -24.442   6.881   0.763
  280    HB3  PRO 107           HB3      PRO 107 -23.041   7.346  -0.244
  281    HG2  PRO 107           HG2      PRO 107 -25.705   6.236  -1.188
  282    HG3  PRO 107           HG3      PRO 107 -24.876   7.726  -1.750
  283    HD2  PRO 107           HD2      PRO 107 -24.631   5.351  -3.071
  284    HD3  PRO 107           HD3      PRO 107 -23.261   6.489  -2.933
  285    H    ASP 108           H        ASP 108 -24.636   3.153  -1.004
  286    HA   ASP 108           HA       ASP 108 -26.385   1.884  -0.357
  287    HB2  ASP 108           HB2      ASP 108 -24.437   0.861   0.822
  288    HB3  ASP 108           HB3      ASP 108 -24.913   1.708   2.290
  289    H    LEU 109           H        LEU 109 -26.902   4.622  -0.145
  290    HA   LEU 109           HA       LEU 109 -29.189   4.708   1.737
  291    HB2  LEU 109           HB2      LEU 109 -26.934   6.742   1.468
  292    HB3  LEU 109           HB3      LEU 109 -28.488   7.179   2.144
  293    HG   LEU 109           HG       LEU 109 -26.675   5.028   3.328
  294   HD11  LEU 109          HD11      LEU 109 -27.164   7.907   4.193
  295   HD12  LEU 109          HD12      LEU 109 -26.190   6.700   5.063
  296   HD13  LEU 109          HD13      LEU 109 -25.671   7.268   3.469
  297   HD21  LEU 109          HD21      LEU 109 -28.133   5.277   5.316
  298   HD22  LEU 109          HD22      LEU 109 -29.185   6.391   4.414
  299   HD23  LEU 109          HD23      LEU 109 -29.047   4.685   3.932
  300    HA   PRO 110           HA       PRO 110 -31.202   6.499  -1.821
  301    HB2  PRO 110           HB2      PRO 110 -33.155   8.079  -0.709
  302    HB3  PRO 110           HB3      PRO 110 -33.194   6.295  -0.662
  303    HG2  PRO 110           HG2      PRO 110 -32.213   8.190   1.496
  304    HG3  PRO 110           HG3      PRO 110 -33.343   6.811   1.662
  305    HD2  PRO 110           HD2      PRO 110 -30.698   6.580   2.242
  306    HD3  PRO 110           HD3      PRO 110 -31.591   5.238   1.476
  307    H    ALA 111           H        ALA 111 -31.470   8.369  -3.036
  308    HA   ALA 111           HA       ALA 111 -30.350  10.955  -2.109
  309    HB1  ALA 111           HB1      ALA 111 -29.359   9.407  -4.552
  310    HB2  ALA 111           HB2      ALA 111 -28.876  11.062  -4.107
  311    HB3  ALA 111           HB3      ALA 111 -28.443   9.693  -3.057
  312    H    ILE 112           H        ILE 112 -30.828  12.709  -3.568
  313    HA   ILE 112           HA       ILE 112 -32.648  13.966  -4.073
  314    HB   ILE 112           HB       ILE 112 -31.088  13.926  -5.889
  315   HG12  ILE 112          HG12      ILE 112 -32.377  14.881  -7.686
  316   HG13  ILE 112          HG13      ILE 112 -33.869  14.171  -7.095
  317   HG21  ILE 112          HG21      ILE 112 -31.401  12.674  -7.963
  318   HG22  ILE 112          HG22      ILE 112 -31.151  11.591  -6.589
  319   HG23  ILE 112          HG23      ILE 112 -32.782  11.811  -7.258
  320   HD11  ILE 112          HD11      ILE 112 -32.205  16.231  -5.581
  321   HD12  ILE 112          HD12      ILE 112 -33.634  16.593  -6.573
  322   HD13  ILE 112          HD13      ILE 112 -33.812  15.619  -5.106
  323    H    LEU 113           H        LEU 113 -33.865  12.599  -2.619
  324    HA   LEU 113           HA       LEU 113 -35.942  10.878  -3.652
  325    HB2  LEU 113           HB2      LEU 113 -34.796  10.686  -1.425
  326    HB3  LEU 113           HB3      LEU 113 -35.608  12.158  -0.908
  327    HG   LEU 113           HG       LEU 113 -37.803  11.024  -1.060
  328   HD11  LEU 113          HD11      LEU 113 -37.393   9.380  -2.846
  329   HD12  LEU 113          HD12      LEU 113 -36.178   8.556  -1.843
  330   HD13  LEU 113          HD13      LEU 113 -37.890   8.554  -1.370
  331   HD21  LEU 113          HD21      LEU 113 -37.483   9.471   0.807
  332   HD22  LEU 113          HD22      LEU 113 -35.735   9.419   0.497
  333   HD23  LEU 113          HD23      LEU 113 -36.505  10.927   1.037
  334    H    GLU 114           H        GLU 114 -35.771  14.291  -3.219
  335    HA   GLU 114           HA       GLU 114 -38.447  15.088  -2.713
  336    HB2  GLU 114           HB2      GLU 114 -36.339  16.555  -4.304
  337    HB3  GLU 114           HB3      GLU 114 -37.846  17.204  -3.639
  338    HG2  GLU 114           HG2      GLU 114 -37.059  16.631  -1.332
  339    HG3  GLU 114           HG3      GLU 114 -35.520  16.098  -2.010
  Start of MODEL   19
    1    H1   MET  71           H1       MET  71  -3.314   3.431   3.898
    2    H2   MET  71           H2       MET  71  -4.696   2.964   3.162
    3    H3   MET  71           H3       MET  71  -3.252   2.718   2.430
    4    HA   MET  71           HA       MET  71  -2.865   5.077   2.206
    5    HB2  MET  71           HB2      MET  71  -4.153   3.697   0.454
    6    HB3  MET  71           HB3      MET  71  -5.624   4.463   1.043
    7    HG2  MET  71           HG2      MET  71  -3.191   6.005   0.039
    8    HG3  MET  71           HG3      MET  71  -4.464   5.433  -1.019
    9    HE1  MET  71           HE1      MET  71  -4.893   9.355  -0.932
   10    HE2  MET  71           HE2      MET  71  -3.366   8.478  -0.739
   11    HE3  MET  71           HE3      MET  71  -4.544   7.945  -1.958
   12    H    SER  72           H        SER  72  -3.412   7.228   2.706
   13    HA   SER  72           HA       SER  72  -4.448   7.656   5.254
   14    HB2  SER  72           HB2      SER  72  -4.083   9.710   3.048
   15    HB3  SER  72           HB3      SER  72  -4.094  10.014   4.800
   16    HG   SER  72           HG       SER  72  -1.946   9.845   3.998
   17    H    THR  73           H        THR  73  -6.392   7.559   2.354
   18    HA   THR  73           HA       THR  73  -8.756   8.323   3.951
   19    HB   THR  73           HB       THR  73  -8.135  10.327   2.991
   20    HG1  THR  73           HG1      THR  73 -10.143  10.830   2.188
   21   HG21  THR  73          HG21      THR  73  -8.368  10.788   0.552
   22   HG22  THR  73          HG22      THR  73  -7.044   9.665   0.862
   23   HG23  THR  73          HG23      THR  73  -8.598   9.055   0.250
   24    H    VAL  74           H        VAL  74 -10.809   7.829   2.712
   25    HA   VAL  74           HA       VAL  74 -10.811   5.029   1.945
   26    HB   VAL  74           HB       VAL  74 -13.262   5.386   1.614
   27   HG11  VAL  74          HG11      VAL  74 -13.789   5.731   3.965
   28   HG12  VAL  74          HG12      VAL  74 -12.335   4.737   3.802
   29   HG13  VAL  74          HG13      VAL  74 -12.193   6.452   4.256
   30   HG21  VAL  74          HG21      VAL  74 -14.332   7.461   2.305
   31   HG22  VAL  74          HG22      VAL  74 -12.760   8.253   2.526
   32   HG23  VAL  74          HG23      VAL  74 -13.292   7.756   0.907
   33    HA   PRO  75           HA       PRO  75 -10.840   5.511  -2.546
   34    HB2  PRO  75           HB2      PRO  75 -12.255   3.345  -3.375
   35    HB3  PRO  75           HB3      PRO  75 -10.611   3.220  -2.684
   36    HG2  PRO  75           HG2      PRO  75 -13.257   2.845  -1.250
   37    HG3  PRO  75           HG3      PRO  75 -11.829   1.761  -1.240
   38    HD2  PRO  75           HD2      PRO  75 -12.278   3.560   0.750
   39    HD3  PRO  75           HD3      PRO  75 -10.622   3.218   0.179
   40    H    LYS  76           H        LYS  76 -12.236   5.868  -4.293
   41    HA   LYS  76           HA       LYS  76 -15.024   6.842  -3.664
   42    HB2  LYS  76           HB2      LYS  76 -12.979   8.085  -5.506
   43    HB3  LYS  76           HB3      LYS  76 -14.703   8.483  -5.435
   44    HG2  LYS  76           HG2      LYS  76 -14.426   9.174  -3.053
   45    HG3  LYS  76           HG3      LYS  76 -12.677   8.882  -3.211
   46    HD2  LYS  76           HD2      LYS  76 -12.689  10.462  -5.204
   47    HD3  LYS  76           HD3      LYS  76 -14.361  10.865  -4.834
   48    HE2  LYS  76           HE2      LYS  76 -11.989  11.279  -2.944
   49    HE3  LYS  76           HE3      LYS  76 -12.638  12.508  -4.025
   50    HZ1  LYS  76           HZ1      LYS  76 -14.781  12.356  -2.833
   51    HZ2  LYS  76           HZ2      LYS  76 -14.174  11.236  -1.802
   52    HZ3  LYS  76           HZ3      LYS  76 -13.582  12.756  -1.807
   53    H    TYR  77           H        TYR  77 -12.990   5.041  -5.910
   54    HA   TYR  77           HA       TYR  77 -15.427   4.299  -7.484
   55    HB2  TYR  77           HB2      TYR  77 -12.711   4.881  -8.698
   56    HB3  TYR  77           HB3      TYR  77 -14.233   4.612  -9.534
   57    HD1  TYR  77           HD2      TYR  77 -12.214   6.987  -7.554
   58    HD2  TYR  77           HD1      TYR  77 -15.800   6.475  -9.885
   59    HE1  TYR  77           HE2      TYR  77 -12.499   9.461  -7.655
   60    HE2  TYR  77           HE1      TYR  77 -16.051   8.958 -10.008
   61    HH   TYR  77           HH       TYR  77 -15.207  11.015  -9.399
   62    H    ARG  78           H        ARG  78 -15.465   2.193  -8.271
   63    HA   ARG  78           HA       ARG  78 -13.043   0.500  -8.082
   64    HB2  ARG  78           HB2      ARG  78 -14.240   0.200  -5.928
   65    HB3  ARG  78           HB3      ARG  78 -15.690  -0.313  -6.797
   66    HG2  ARG  78           HG2      ARG  78 -14.527  -2.273  -7.706
   67    HG3  ARG  78           HG3      ARG  78 -12.976  -1.690  -7.085
   68    HD2  ARG  78           HD2      ARG  78 -13.866  -1.882  -4.754
   69    HD3  ARG  78           HD3      ARG  78 -15.355  -2.576  -5.395
   70    HE   ARG  78           HE       ARG  78 -12.625  -3.779  -5.355
   71   HH11  ARG  78          HH11      ARG  78 -15.980  -4.318  -6.265
   72   HH12  ARG  78          HH12      ARG  78 -15.752  -6.034  -6.396
   73   HH21  ARG  78          HH21      ARG  78 -12.428  -5.976  -5.505
   74   HH22  ARG  78          HH22      ARG  78 -13.789  -6.945  -5.982
   75    H    ASP  79           H        ASP  79 -12.754  -0.332  -9.997
   76    HA   ASP  79           HA       ASP  79 -14.659  -0.444 -12.128
   77    HB2  ASP  79           HB2      ASP  79 -12.303  -0.263 -12.562
   78    HB3  ASP  79           HB3      ASP  79 -11.954  -1.732 -11.666
   79    HA   PRO  80           HA       PRO  80 -16.456  -4.363 -10.583
   80    HB2  PRO  80           HB2      PRO  80 -18.453  -4.737 -12.418
   81    HB3  PRO  80           HB3      PRO  80 -18.536  -3.532 -11.099
   82    HG2  PRO  80           HG2      PRO  80 -17.686  -3.081 -13.977
   83    HG3  PRO  80           HG3      PRO  80 -18.875  -2.144 -13.020
   84    HD2  PRO  80           HD2      PRO  80 -16.310  -1.302 -13.279
   85    HD3  PRO  80           HD3      PRO  80 -17.177  -1.149 -11.712
   86    H    ALA  81           H        ALA  81 -15.061  -3.898 -13.787
   87    HA   ALA  81           HA       ALA  81 -15.333  -6.643 -14.658
   88    HB1  ALA  81           HB1      ALA  81 -13.560  -4.375 -15.660
   89    HB2  ALA  81           HB2      ALA  81 -13.919  -5.886 -16.520
   90    HB3  ALA  81           HB3      ALA  81 -15.218  -4.717 -16.195
   91    H    THR  82           H        THR  82 -12.737  -4.851 -13.007
   92    HA   THR  82           HA       THR  82 -11.101  -7.373 -12.774
   93    HB   THR  82           HB       THR  82  -9.159  -6.114 -12.883
   94    HG1  THR  82           HG1      THR  82 -10.850  -3.876 -13.388
   95   HG21  THR  82          HG21      THR  82 -10.909  -5.357 -15.239
   96   HG22  THR  82          HG22      THR  82  -9.153  -5.636 -15.221
   97   HG23  THR  82          HG23      THR  82 -10.268  -6.990 -14.917
   98    H    GLY  83           H        GLY  83 -12.576  -4.806 -10.906
   99    HA2  GLY  83           HA2      GLY  83 -12.755  -4.717  -8.599
  100    HA3  GLY  83           HA3      GLY  83 -11.448  -5.886  -8.414
  101    H    LYS  84           H        LYS  84 -10.299  -3.534 -10.508
  102    HA   LYS  84           HA       LYS  84  -8.439  -2.301  -8.707
  103    HB2  LYS  84           HB2      LYS  84  -9.423  -1.562 -11.494
  104    HB3  LYS  84           HB3      LYS  84  -8.148  -0.671 -10.642
  105    HG2  LYS  84           HG2      LYS  84  -6.809  -2.707 -10.407
  106    HG3  LYS  84           HG3      LYS  84  -8.054  -3.665 -11.218
  107    HD2  LYS  84           HD2      LYS  84  -7.787  -2.264 -13.272
  108    HD3  LYS  84           HD3      LYS  84  -6.479  -1.368 -12.465
  109    HE2  LYS  84           HE2      LYS  84  -5.211  -3.504 -12.190
  110    HE3  LYS  84           HE3      LYS  84  -6.518  -4.381 -12.987
  111    HZ1  LYS  84           HZ1      LYS  84  -4.734  -3.856 -14.552
  112    HZ2  LYS  84           HZ2      LYS  84  -6.086  -3.071 -15.009
  113    HZ3  LYS  84           HZ3      LYS  84  -4.868  -2.256 -14.275
  114    H    THR  85           H        THR  85  -8.317  -0.231  -7.838
  115    HA   THR  85           HA       THR  85 -10.888   1.275  -7.565
  116    HB   THR  85           HB       THR  85 -10.196   1.715  -5.183
  117    HG1  THR  85           HG1      THR  85  -8.696   0.254  -4.286
  118   HG21  THR  85          HG21      THR  85 -10.969  -0.417  -4.287
  119   HG22  THR  85          HG22      THR  85 -11.918   0.053  -5.701
  120   HG23  THR  85          HG23      THR  85 -10.681  -1.214  -5.850
  121    H    TRP  86           H        TRP  86 -10.779   3.451  -6.866
  122    HA   TRP  86           HA       TRP  86  -8.194   4.840  -6.825
  123    HB2  TRP  86           HB2      TRP  86  -8.791   4.783  -9.231
  124    HB3  TRP  86           HB3      TRP  86 -10.313   5.579  -8.879
  125    HD1  TRP  86           HD1      TRP  86  -6.579   6.359  -8.052
  126    HE1  TRP  86           HE1      TRP  86  -6.145   8.867  -8.436
  127    HE3  TRP  86           HE3      TRP  86 -11.179   7.727  -9.840
  128    HZ2  TRP  86           HZ2      TRP  86  -7.651  11.183  -9.229
  129    HZ3  TRP  86           HZ3      TRP  86 -11.690  10.118 -10.263
  130    HH2  TRP  86           HH2      TRP  86  -9.979  11.851  -9.888
  131    H    SER  87           H        SER  87  -8.455   7.141  -6.093
  132    HA   SER  87           HA       SER  87 -10.831   7.464  -4.286
  133    HB2  SER  87           HB2      SER  87  -9.189   7.980  -2.497
  134    HB3  SER  87           HB3      SER  87  -8.917   6.365  -3.182
  135    HG   SER  87           HG       SER  87  -6.937   7.492  -3.031
  136    H    GLY  88           H        GLY  88  -9.694   9.113  -6.808
  137    HA2  GLY  88           HA2      GLY  88 -10.166  11.347  -7.350
  138    HA3  GLY  88           HA3      GLY  88 -10.629  11.660  -5.689
  139    H    ARG  89           H        ARG  89  -7.466  10.296  -6.393
  140    HA   ARG  89           HA       ARG  89  -6.077  12.917  -5.903
  141    HB2  ARG  89           HB2      ARG  89  -5.419  10.177  -4.725
  142    HB3  ARG  89           HB3      ARG  89  -4.409  11.604  -4.557
  143    HG2  ARG  89           HG2      ARG  89  -7.240  11.355  -3.424
  144    HG3  ARG  89           HG3      ARG  89  -5.755  11.001  -2.554
  145    HD2  ARG  89           HD2      ARG  89  -6.340  13.155  -1.853
  146    HD3  ARG  89           HD3      ARG  89  -4.994  13.381  -2.983
  147    HE   ARG  89           HE       ARG  89  -7.572  13.555  -4.315
  148   HH11  ARG  89          HH11      ARG  89  -5.507  15.536  -2.284
  149   HH12  ARG  89          HH12      ARG  89  -6.138  17.017  -2.953
  150   HH21  ARG  89          HH21      ARG  89  -8.287  15.413  -5.139
  151   HH22  ARG  89          HH22      ARG  89  -7.722  16.946  -4.526
  152    H    GLY  90           H        GLY  90  -4.275  13.305  -7.088
  153    HA2  GLY  90           HA2      GLY  90  -2.816  13.131  -8.896
  154    HA3  GLY  90           HA3      GLY  90  -2.970  11.373  -8.829
  155    H    ARG  91           H        ARG  91  -2.913  11.656 -11.231
  156    HA   ARG  91           HA       ARG  91  -5.309  12.597 -12.649
  157    HB2  ARG  91           HB2      ARG  91  -3.085  10.772 -13.558
  158    HB3  ARG  91           HB3      ARG  91  -4.380  11.439 -14.559
  159    HG2  ARG  91           HG2      ARG  91  -2.374  13.159 -13.061
  160    HG3  ARG  91           HG3      ARG  91  -2.180  12.642 -14.740
  161    HD2  ARG  91           HD2      ARG  91  -4.329  13.809 -15.307
  162    HD3  ARG  91           HD3      ARG  91  -4.435  14.372 -13.639
  163    HE   ARG  91           HE       ARG  91  -2.732  15.905 -13.986
  164   HH11  ARG  91          HH11      ARG  91  -2.953  13.950 -16.896
  165   HH12  ARG  91          HH12      ARG  91  -1.958  15.048 -17.811
  166   HH21  ARG  91          HH21      ARG  91  -1.452  17.235 -15.207
  167   HH22  ARG  91          HH22      ARG  91  -1.128  16.851 -16.873
  168    H    GLN  92           H        GLN  92  -6.981  11.356 -13.520
  169    HA   GLN  92           HA       GLN  92  -7.899   9.094 -12.060
  170    HB2  GLN  92           HB2      GLN  92  -9.595   8.879 -13.791
  171    HB3  GLN  92           HB3      GLN  92  -9.438  10.545 -13.231
  172    HG2  GLN  92           HG2      GLN  92  -8.263  11.148 -15.312
  173    HG3  GLN  92           HG3      GLN  92  -8.231   9.462 -15.822
  174   HE21  GLN  92          HE22      GLN  92  -9.853   8.885 -17.258
  175   HE22  GLN  92          HE21      GLN  92 -11.413   9.705 -17.357
  176    HA   PRO  93           HA       PRO  93  -5.936   5.692 -14.321
  177    HB2  PRO  93           HB2      PRO  93  -7.584   3.616 -13.766
  178    HB3  PRO  93           HB3      PRO  93  -6.572   4.377 -12.503
  179    HG2  PRO  93           HG2      PRO  93  -9.498   4.918 -13.098
  180    HG3  PRO  93           HG3      PRO  93  -8.739   4.566 -11.518
  181    HD2  PRO  93           HD2      PRO  93  -9.226   7.128 -12.332
  182    HD3  PRO  93           HD3      PRO  93  -7.773   6.710 -11.380
  183    H    ALA  94           H        ALA  94  -6.326   4.296 -16.192
  184    HA   ALA  94           HA       ALA  94  -7.681   5.588 -18.275
  185    HB1  ALA  94           HB1      ALA  94  -5.748   4.098 -18.552
  186    HB2  ALA  94           HB2      ALA  94  -6.739   2.691 -18.092
  187    HB3  ALA  94           HB3      ALA  94  -7.089   3.586 -19.588
  188    H    TRP  95           H        TRP  95  -8.918   2.922 -16.233
  189    HA   TRP  95           HA       TRP  95 -11.242   2.371 -17.855
  190    HB2  TRP  95           HB2      TRP  95 -12.062   1.189 -15.801
  191    HB3  TRP  95           HB3      TRP  95 -10.519   0.654 -16.436
  192    HD1  TRP  95           HD1      TRP  95  -8.411   0.908 -14.940
  193    HE1  TRP  95           HE1      TRP  95  -8.078   1.283 -12.424
  194    HE3  TRP  95           HE3      TRP  95 -13.178   2.415 -13.687
  195    HZ2  TRP  95           HZ2      TRP  95  -9.646   2.097 -10.181
  196    HZ3  TRP  95           HZ3      TRP  95 -13.712   2.940 -11.334
  197    HH2  TRP  95           HH2      TRP  95 -11.971   2.772  -9.577
  198    H    LEU  96           H        LEU  96 -10.618   5.079 -15.752
  199    HA   LEU  96           HA       LEU  96 -13.285   5.385 -14.790
  200    HB2  LEU  96           HB2      LEU  96 -10.934   6.504 -14.060
  201    HB3  LEU  96           HB3      LEU  96 -11.533   7.793 -15.097
  202    HG   LEU  96           HG       LEU  96 -13.764   7.542 -13.707
  203   HD11  LEU  96          HD11      LEU  96 -13.421   6.722 -11.420
  204   HD12  LEU  96          HD12      LEU  96 -13.082   5.420 -12.565
  205   HD13  LEU  96          HD13      LEU  96 -11.743   6.286 -11.792
  206   HD21  LEU  96          HD21      LEU  96 -12.992   9.064 -11.993
  207   HD22  LEU  96          HD22      LEU  96 -11.304   8.664 -12.357
  208   HD23  LEU  96          HD23      LEU  96 -12.302   9.512 -13.563
  209    H    GLY  97           H        GLY  97 -12.001   6.122 -17.910
  210    HA2  GLY  97           HA2      GLY  97 -12.881   7.144 -19.788
  211    HA3  GLY  97           HA3      GLY  97 -14.439   6.648 -19.135
  212    H    ASN  98           H        ASN  98 -15.694   8.365 -19.609
  213    HA   ASN  98           HA       ASN  98 -15.044  11.018 -18.407
  214    HB2  ASN  98           HB2      ASN  98 -15.877  12.123 -20.332
  215    HB3  ASN  98           HB3      ASN  98 -14.700  10.950 -20.897
  216   HD21  ASN  98          HD22      ASN  98 -16.754  12.187 -22.506
  217   HD22  ASN  98          HD21      ASN  98 -17.815  10.892 -23.045
  218    H    ASP  99           H        ASP  99 -16.969   8.548 -17.785
  219    HA   ASP  99           HA       ASP  99 -19.073  10.241 -16.607
  220    HB2  ASP  99           HB2      ASP  99 -20.033   9.685 -18.785
  221    HB3  ASP  99           HB3      ASP  99 -19.737   7.972 -18.510
  222    HA   PRO 100           HA       PRO 100 -17.080   6.982 -14.091
  223    HB2  PRO 100           HB2      PRO 100 -17.558   8.924 -11.867
  224    HB3  PRO 100           HB3      PRO 100 -16.104   7.934 -12.248
  225    HG2  PRO 100           HG2      PRO 100 -16.179  10.584 -12.875
  226    HG3  PRO 100           HG3      PRO 100 -15.478   9.393 -14.023
  227    HD2  PRO 100           HD2      PRO 100 -18.254  10.609 -14.041
  228    HD3  PRO 100           HD3      PRO 100 -17.101  10.404 -15.389
  229    H    ALA 101           H        ALA 101 -20.322   8.003 -13.862
  230    HA   ALA 101           HA       ALA 101 -21.122   7.003 -11.376
  231    HB1  ALA 101           HB1      ALA 101 -23.402   7.090 -12.332
  232    HB2  ALA 101           HB2      ALA 101 -22.457   8.514 -12.806
  233    HB3  ALA 101           HB3      ALA 101 -22.719   7.192 -13.968
  234    H    ALA 102           H        ALA 102 -20.406   5.104 -14.228
  235    HA   ALA 102           HA       ALA 102 -21.829   2.719 -13.580
  236    HB1  ALA 102           HB1      ALA 102 -19.218   3.130 -15.105
  237    HB2  ALA 102           HB2      ALA 102 -20.229   1.671 -15.150
  238    HB3  ALA 102           HB3      ALA 102 -20.860   3.200 -15.786
  239    H    PHE 103           H        PHE 103 -18.823   3.985 -12.212
  240    HA   PHE 103           HA       PHE 103 -18.589   1.574 -10.459
  241    HB2  PHE 103           HB2      PHE 103 -15.992   2.028 -10.850
  242    HB3  PHE 103           HB3      PHE 103 -16.952   0.987 -11.877
  243    HD1  PHE 103           HD1      PHE 103 -15.844   4.562 -11.625
  244    HD2  PHE 103           HD2      PHE 103 -16.955   1.271 -14.187
  245    HE1  PHE 103           HE1      PHE 103 -15.350   5.933 -13.613
  246    HE2  PHE 103           HE2      PHE 103 -16.473   2.664 -16.181
  247    HZ   PHE 103           HZ       PHE 103 -15.692   4.998 -15.906
  248    H    LEU 104           H        LEU 104 -19.187   4.784 -10.251
  249    HA   LEU 104           HA       LEU 104 -17.579   5.605  -8.022
  250    HB2  LEU 104           HB2      LEU 104 -20.165   6.390  -9.264
  251    HB3  LEU 104           HB3      LEU 104 -20.035   6.753  -7.551
  252    HG   LEU 104           HG       LEU 104 -17.930   7.601  -9.556
  253   HD11  LEU 104          HD11      LEU 104 -20.270   9.203  -8.438
  254   HD12  LEU 104          HD12      LEU 104 -18.954   9.848  -9.452
  255   HD13  LEU 104          HD13      LEU 104 -20.080   8.667 -10.126
  256   HD21  LEU 104          HD21      LEU 104 -18.531   8.453  -6.679
  257   HD22  LEU 104          HD22      LEU 104 -17.072   7.625  -7.266
  258   HD23  LEU 104          HD23      LEU 104 -17.381   9.279  -7.747
  259    H    ILE 105           H        ILE 105 -17.477   4.863  -5.996
  260    HA   ILE 105           HA       ILE 105 -19.109   2.641  -5.049
  261    HB   ILE 105           HB       ILE 105 -17.103   4.358  -3.537
  262   HG12  ILE 105          HG12      ILE 105 -16.741   1.565  -4.734
  263   HG13  ILE 105          HG13      ILE 105 -16.212   3.035  -5.539
  264   HG21  ILE 105          HG21      ILE 105 -18.510   1.708  -2.926
  265   HG22  ILE 105          HG22      ILE 105 -17.172   2.371  -1.950
  266   HG23  ILE 105          HG23      ILE 105 -18.702   3.223  -2.021
  267   HD11  ILE 105          HD11      ILE 105 -14.298   2.217  -4.416
  268   HD12  ILE 105          HD12      ILE 105 -14.872   3.612  -3.474
  269   HD13  ILE 105          HD13      ILE 105 -15.179   1.959  -2.903
  270    H    GLN 106           H        GLN 106 -20.944   2.696  -3.975
  271    HA   GLN 106           HA       GLN 106 -21.963   5.132  -2.657
  272    HB2  GLN 106           HB2      GLN 106 -24.041   5.068  -4.009
  273    HB3  GLN 106           HB3      GLN 106 -22.607   5.428  -4.960
  274    HG2  GLN 106           HG2      GLN 106 -22.607   2.880  -5.580
  275    HG3  GLN 106           HG3      GLN 106 -24.242   2.868  -4.930
  276   HE21  GLN 106          HE22      GLN 106 -22.123   4.075  -7.507
  277   HE22  GLN 106          HE21      GLN 106 -23.442   4.597  -8.561
  278    HA   PRO 107           HA       PRO 107 -23.412   2.092   0.132
  279    HB2  PRO 107           HB2      PRO 107 -25.433   3.315   1.488
  280    HB3  PRO 107           HB3      PRO 107 -23.726   3.820   1.609
  281    HG2  PRO 107           HG2      PRO 107 -25.894   5.011  -0.151
  282    HG3  PRO 107           HG3      PRO 107 -24.757   5.870   0.936
  283    HD2  PRO 107           HD2      PRO 107 -24.272   5.619  -1.734
  284    HD3  PRO 107           HD3      PRO 107 -22.941   5.534  -0.537
  285    H    ASP 108           H        ASP 108 -24.667   0.319   0.125
  286    HA   ASP 108           HA       ASP 108 -26.519  -0.229  -1.864
  287    HB2  ASP 108           HB2      ASP 108 -25.063  -1.847  -0.654
  288    HB3  ASP 108           HB3      ASP 108 -26.093  -1.673   0.772
  289    H    LEU 109           H        LEU 109 -27.120   1.343   1.094
  290    HA   LEU 109           HA       LEU 109 -30.043   1.214   0.846
  291    HB2  LEU 109           HB2      LEU 109 -28.367   0.577   3.314
  292    HB3  LEU 109           HB3      LEU 109 -30.071   0.961   3.427
  293    HG   LEU 109           HG       LEU 109 -28.948  -1.419   1.887
  294   HD11  LEU 109          HD11      LEU 109 -28.610  -1.613   4.314
  295   HD12  LEU 109          HD12      LEU 109 -30.330  -1.267   4.597
  296   HD13  LEU 109          HD13      LEU 109 -29.844  -2.753   3.750
  297   HD21  LEU 109          HD21      LEU 109 -31.816  -0.668   2.626
  298   HD22  LEU 109          HD22      LEU 109 -31.133  -0.707   0.983
  299   HD23  LEU 109          HD23      LEU 109 -31.303  -2.207   1.902
  300    HA   PRO 110           HA       PRO 110 -29.671   5.536   1.925
  301    HB2  PRO 110           HB2      PRO 110 -32.141   6.175   2.923
  302    HB3  PRO 110           HB3      PRO 110 -31.883   5.682   1.227
  303    HG2  PRO 110           HG2      PRO 110 -32.739   3.924   3.554
  304    HG3  PRO 110           HG3      PRO 110 -33.524   4.085   1.948
  305    HD2  PRO 110           HD2      PRO 110 -31.774   2.077   2.500
  306    HD3  PRO 110           HD3      PRO 110 -31.817   2.853   0.891
  307    H    ALA 111           H        ALA 111 -28.031   4.770   3.386
  308    HA   ALA 111           HA       ALA 111 -28.230   4.372   6.158
  309    HB1  ALA 111           HB1      ALA 111 -26.010   5.735   4.572
  310    HB2  ALA 111           HB2      ALA 111 -25.858   5.065   6.213
  311    HB3  ALA 111           HB3      ALA 111 -26.188   3.983   4.846
  312    H    ILE 112           H        ILE 112 -29.036   5.574   7.714
  313    HA   ILE 112           HA       ILE 112 -30.402   7.172   8.458
  314    HB   ILE 112           HB       ILE 112 -28.339   7.154   9.724
  315   HG12  ILE 112          HG12      ILE 112 -28.568   9.153  11.050
  316   HG13  ILE 112          HG13      ILE 112 -29.446   9.988   9.775
  317   HG21  ILE 112          HG21      ILE 112 -26.718   7.985   8.096
  318   HG22  ILE 112          HG22      ILE 112 -27.460   9.597   8.137
  319   HG23  ILE 112          HG23      ILE 112 -26.650   8.946   9.573
  320   HD11  ILE 112          HD11      ILE 112 -30.433   7.480  11.196
  321   HD12  ILE 112          HD12      ILE 112 -30.900   9.143  11.606
  322   HD13  ILE 112          HD13      ILE 112 -31.358   8.469  10.035
  323    H    LEU 113           H        LEU 113 -30.959   7.222   6.102
  324    HA   LEU 113           HA       LEU 113 -31.812  10.026   5.549
  325    HB2  LEU 113           HB2      LEU 113 -30.637   8.022   3.586
  326    HB3  LEU 113           HB3      LEU 113 -31.622   9.371   3.045
  327    HG   LEU 113           HG       LEU 113 -29.038   9.720   4.615
  328   HD11  LEU 113          HD11      LEU 113 -28.636   8.688   2.408
  329   HD12  LEU 113          HD12      LEU 113 -29.593   9.970   1.627
  330   HD13  LEU 113          HD13      LEU 113 -28.065  10.360   2.447
  331   HD21  LEU 113          HD21      LEU 113 -29.174  12.047   3.779
  332   HD22  LEU 113          HD22      LEU 113 -30.764  11.706   3.069
  333   HD23  LEU 113          HD23      LEU 113 -30.534  11.662   4.831
  334    H    GLU 114           H        GLU 114 -32.925   7.217   6.568
  335    HA   GLU 114           HA       GLU 114 -35.636   7.603   5.466
  336    HB2  GLU 114           HB2      GLU 114 -34.681   6.013   3.970
  337    HB3  GLU 114           HB3      GLU 114 -34.196   4.953   5.306
  338    HG2  GLU 114           HG2      GLU 114 -36.569   4.598   5.892
  339    HG3  GLU 114           HG3      GLU 114 -37.069   5.731   4.637
  Start of MODEL   20
    1    H1   MET  71           H1       MET  71   0.789   8.126   4.859
    2    H2   MET  71           H2       MET  71   0.799   8.066   6.500
    3    H3   MET  71           H3       MET  71   0.392   6.743   5.636
    4    HA   MET  71           HA       MET  71  -1.581   7.678   6.566
    5    HB2  MET  71           HB2      MET  71  -2.360   9.905   6.066
    6    HB3  MET  71           HB3      MET  71  -0.788   9.979   6.844
    7    HG2  MET  71           HG2      MET  71   0.287  10.434   4.649
    8    HG3  MET  71           HG3      MET  71  -1.292  10.331   3.855
    9    HE1  MET  71           HE1      MET  71  -0.390  14.134   3.581
   10    HE2  MET  71           HE2      MET  71   0.756  12.775   3.539
   11    HE3  MET  71           HE3      MET  71  -0.807  12.656   2.696
   12    H    SER  72           H        SER  72  -3.652   7.691   5.472
   13    HA   SER  72           HA       SER  72  -3.753   7.468   2.546
   14    HB2  SER  72           HB2      SER  72  -3.059   5.179   3.446
   15    HB3  SER  72           HB3      SER  72  -4.648   5.097   4.227
   16    HG   SER  72           HG       SER  72  -4.571   4.123   2.096
   17    H    THR  73           H        THR  73  -6.146   6.757   1.978
   18    HA   THR  73           HA       THR  73  -8.170   7.807   3.842
   19    HB   THR  73           HB       THR  73  -7.465   9.751   2.810
   20    HG1  THR  73           HG1      THR  73  -9.507  10.472   2.272
   21   HG21  THR  73          HG21      THR  73  -6.753   8.977   0.551
   22   HG22  THR  73          HG22      THR  73  -8.442   8.591   0.150
   23   HG23  THR  73          HG23      THR  73  -7.943  10.276   0.418
   24    H    VAL  74           H        VAL  74 -10.427   7.527   2.875
   25    HA   VAL  74           HA       VAL  74 -10.774   4.773   2.038
   26    HB   VAL  74           HB       VAL  74 -13.198   5.328   1.961
   27   HG11  VAL  74          HG11      VAL  74 -11.780   6.208   4.508
   28   HG12  VAL  74          HG12      VAL  74 -13.454   5.625   4.370
   29   HG13  VAL  74          HG13      VAL  74 -12.110   4.530   4.024
   30   HG21  VAL  74          HG21      VAL  74 -12.384   8.109   2.908
   31   HG22  VAL  74          HG22      VAL  74 -13.121   7.717   1.337
   32   HG23  VAL  74          HG23      VAL  74 -14.027   7.451   2.829
   33    HA   PRO  75           HA       PRO  75 -10.915   5.374  -2.381
   34    HB2  PRO  75           HB2      PRO  75 -12.415   3.281  -3.243
   35    HB3  PRO  75           HB3      PRO  75 -10.775   3.087  -2.551
   36    HG2  PRO  75           HG2      PRO  75 -13.446   2.800  -1.125
   37    HG3  PRO  75           HG3      PRO  75 -12.064   1.650  -1.116
   38    HD2  PRO  75           HD2      PRO  75 -12.444   3.449   0.883
   39    HD3  PRO  75           HD3      PRO  75 -10.797   3.047   0.307
   40    H    LYS  76           H        LYS  76 -12.228   5.876  -4.119
   41    HA   LYS  76           HA       LYS  76 -15.039   6.824  -3.538
   42    HB2  LYS  76           HB2      LYS  76 -12.959   8.254  -5.220
   43    HB3  LYS  76           HB3      LYS  76 -14.682   8.653  -5.069
   44    HG2  LYS  76           HG2      LYS  76 -14.374   8.999  -2.610
   45    HG3  LYS  76           HG3      LYS  76 -12.655   8.654  -2.794
   46    HD2  LYS  76           HD2      LYS  76 -12.903  11.039  -2.703
   47    HD3  LYS  76           HD3      LYS  76 -12.409  10.585  -4.325
   48    HE2  LYS  76           HE2      LYS  76 -14.022  12.300  -4.571
   49    HE3  LYS  76           HE3      LYS  76 -14.806  10.816  -5.090
   50    HZ1  LYS  76           HZ1      LYS  76 -16.240  12.169  -3.627
   51    HZ2  LYS  76           HZ2      LYS  76 -15.939  10.742  -2.898
   52    HZ3  LYS  76           HZ3      LYS  76 -15.157  12.096  -2.412
   53    H    TYR  77           H        TYR  77 -12.962   5.042  -5.701
   54    HA   TYR  77           HA       TYR  77 -15.324   4.400  -7.427
   55    HB2  TYR  77           HB2      TYR  77 -12.502   5.171  -8.256
   56    HB3  TYR  77           HB3      TYR  77 -13.650   4.384  -9.318
   57    HD1  TYR  77           HD2      TYR  77 -13.023   7.531  -7.411
   58    HD2  TYR  77           HD1      TYR  77 -15.249   5.568 -10.530
   59    HE1  TYR  77           HE2      TYR  77 -13.830   9.742  -8.214
   60    HE2  TYR  77           HE1      TYR  77 -15.978   7.781 -11.398
   61    HH   TYR  77           HH       TYR  77 -15.034  10.870  -9.839
   62    H    ARG  78           H        ARG  78 -15.385   2.335  -8.222
   63    HA   ARG  78           HA       ARG  78 -13.023   0.599  -8.067
   64    HB2  ARG  78           HB2      ARG  78 -14.332   0.235  -5.936
   65    HB3  ARG  78           HB3      ARG  78 -15.686  -0.356  -6.910
   66    HG2  ARG  78           HG2      ARG  78 -14.286  -2.187  -7.799
   67    HG3  ARG  78           HG3      ARG  78 -12.853  -1.489  -7.041
   68    HD2  ARG  78           HD2      ARG  78 -14.069  -1.811  -4.788
   69    HD3  ARG  78           HD3      ARG  78 -15.210  -2.825  -5.700
   70    HE   ARG  78           HE       ARG  78 -12.397  -3.515  -6.153
   71   HH11  ARG  78          HH11      ARG  78 -15.024  -4.134  -3.902
   72   HH12  ARG  78          HH12      ARG  78 -14.295  -5.606  -3.327
   73   HH21  ARG  78          HH21      ARG  78 -11.529  -5.366  -5.373
   74   HH22  ARG  78          HH22      ARG  78 -12.353  -6.292  -4.151
   75    H    ASP  79           H        ASP  79 -12.731  -0.222  -9.981
   76    HA   ASP  79           HA       ASP  79 -14.544  -0.112 -12.187
   77    HB2  ASP  79           HB2      ASP  79 -12.193  -0.079 -12.528
   78    HB3  ASP  79           HB3      ASP  79 -11.955  -1.586 -11.655
   79    HA   PRO  80           HA       PRO  80 -16.657  -3.963 -10.861
   80    HB2  PRO  80           HB2      PRO  80 -18.583  -4.158 -12.805
   81    HB3  PRO  80           HB3      PRO  80 -18.653  -2.986 -11.459
   82    HG2  PRO  80           HG2      PRO  80 -17.634  -2.522 -14.276
   83    HG3  PRO  80           HG3      PRO  80 -18.811  -1.531 -13.356
   84    HD2  PRO  80           HD2      PRO  80 -16.185  -0.868 -13.470
   85    HD3  PRO  80           HD3      PRO  80 -17.120  -0.661 -11.952
   86    H    ALA  81           H        ALA  81 -15.058  -3.483 -13.966
   87    HA   ALA  81           HA       ALA  81 -15.455  -6.175 -14.952
   88    HB1  ALA  81           HB1      ALA  81 -13.926  -5.455 -16.720
   89    HB2  ALA  81           HB2      ALA  81 -15.152  -4.211 -16.415
   90    HB3  ALA  81           HB3      ALA  81 -13.503  -3.997 -15.798
   91    H    THR  82           H        THR  82 -12.814  -4.588 -13.166
   92    HA   THR  82           HA       THR  82 -11.359  -7.217 -12.926
   93    HB   THR  82           HB       THR  82  -9.332  -6.090 -12.919
   94    HG1  THR  82           HG1      THR  82 -10.847  -3.724 -13.401
   95   HG21  THR  82          HG21      THR  82  -9.203  -5.526 -15.233
   96   HG22  THR  82          HG22      THR  82 -10.419  -6.812 -15.025
   97   HG23  THR  82          HG23      THR  82 -10.940  -5.136 -15.313
   98    H    GLY  83           H        GLY  83 -12.781  -4.654 -11.037
   99    HA2  GLY  83           HA2      GLY  83 -13.058  -4.625  -8.734
  100    HA3  GLY  83           HA3      GLY  83 -11.819  -5.863  -8.540
  101    H    LYS  84           H        LYS  84 -10.436  -3.516 -10.475
  102    HA   LYS  84           HA       LYS  84  -8.613  -2.462  -8.523
  103    HB2  LYS  84           HB2      LYS  84  -9.352  -1.622 -11.357
  104    HB3  LYS  84           HB3      LYS  84  -8.072  -0.843 -10.407
  105    HG2  LYS  84           HG2      LYS  84  -6.919  -2.991 -10.119
  106    HG3  LYS  84           HG3      LYS  84  -8.174  -3.825 -11.039
  107    HD2  LYS  84           HD2      LYS  84  -7.642  -2.437 -13.038
  108    HD3  LYS  84           HD3      LYS  84  -6.341  -1.636 -12.124
  109    HE2  LYS  84           HE2      LYS  84  -5.238  -3.848 -11.782
  110    HE3  LYS  84           HE3      LYS  84  -6.537  -4.635 -12.684
  111    HZ1  LYS  84           HZ1      LYS  84  -4.661  -2.610 -13.819
  112    HZ2  LYS  84           HZ2      LYS  84  -4.606  -4.212 -14.109
  113    HZ3  LYS  84           HZ3      LYS  84  -5.868  -3.338 -14.651
  114    H    THR  85           H        THR  85  -8.400  -0.412  -7.624
  115    HA   THR  85           HA       THR  85 -10.930   1.179  -7.358
  116    HB   THR  85           HB       THR  85 -10.154   1.607  -4.992
  117    HG1  THR  85           HG1      THR  85  -8.653   0.126  -4.147
  118   HG21  THR  85          HG21      THR  85 -11.942   0.012  -5.433
  119   HG22  THR  85          HG22      THR  85 -10.757  -1.295  -5.688
  120   HG23  THR  85          HG23      THR  85 -10.934  -0.534  -4.090
  121    H    TRP  86           H        TRP  86 -10.769   3.366  -6.650
  122    HA   TRP  86           HA       TRP  86  -8.169   4.706  -6.634
  123    HB2  TRP  86           HB2      TRP  86  -8.714   4.656  -9.032
  124    HB3  TRP  86           HB3      TRP  86 -10.255   5.425  -8.722
  125    HD1  TRP  86           HD1      TRP  86  -6.505   6.259  -8.068
  126    HE1  TRP  86           HE1      TRP  86  -6.134   8.773  -8.483
  127    HE3  TRP  86           HE3      TRP  86 -11.281   7.601  -9.253
  128    HZ2  TRP  86           HZ2      TRP  86  -7.686  11.036  -9.361
  129    HZ3  TRP  86           HZ3      TRP  86 -11.822   9.947  -9.877
  130    HH2  TRP  86           HH2      TRP  86 -10.052  11.669  -9.896
  131    H    SER  87           H        SER  87  -8.376   7.003  -5.943
  132    HA   SER  87           HA       SER  87 -10.746   7.403  -4.138
  133    HB2  SER  87           HB2      SER  87  -7.870   7.824  -3.304
  134    HB3  SER  87           HB3      SER  87  -9.329   7.721  -2.294
  135    HG   SER  87           HG       SER  87  -7.978   5.782  -2.319
  136    H    GLY  88           H        GLY  88  -9.825   8.979  -6.664
  137    HA2  GLY  88           HA2      GLY  88 -10.313  11.177  -7.216
  138    HA3  GLY  88           HA3      GLY  88 -10.639  11.523  -5.532
  139    H    ARG  89           H        ARG  89  -7.480  10.248  -6.358
  140    HA   ARG  89           HA       ARG  89  -6.203  12.948  -6.166
  141    HB2  ARG  89           HB2      ARG  89  -5.478  10.497  -4.501
  142    HB3  ARG  89           HB3      ARG  89  -4.516  11.975  -4.608
  143    HG2  ARG  89           HG2      ARG  89  -6.435  13.280  -3.694
  144    HG3  ARG  89           HG3      ARG  89  -7.349  11.768  -3.497
  145    HD2  ARG  89           HD2      ARG  89  -5.608  10.907  -1.970
  146    HD3  ARG  89           HD3      ARG  89  -4.682  12.408  -2.185
  147    HE   ARG  89           HE       ARG  89  -7.373  12.974  -1.313
  148   HH11  ARG  89          HH11      ARG  89  -4.305  11.881  -0.011
  149   HH12  ARG  89          HH12      ARG  89  -4.658  12.494   1.580
  150   HH21  ARG  89          HH21      ARG  89  -7.759  13.739   0.732
  151   HH22  ARG  89          HH22      ARG  89  -6.579  13.513   1.986
  152    H    GLY  90           H        GLY  90  -4.246  13.196  -7.184
  153    HA2  GLY  90           HA2      GLY  90  -2.698  12.859  -8.886
  154    HA3  GLY  90           HA3      GLY  90  -2.863  11.117  -8.665
  155    H    ARG  91           H        ARG  91  -2.649  11.213 -11.084
  156    HA   ARG  91           HA       ARG  91  -4.898  12.076 -12.748
  157    HB2  ARG  91           HB2      ARG  91  -2.728  10.040 -13.326
  158    HB3  ARG  91           HB3      ARG  91  -3.910  10.722 -14.461
  159    HG2  ARG  91           HG2      ARG  91  -2.983  12.996 -14.081
  160    HG3  ARG  91           HG3      ARG  91  -1.765  12.317 -12.988
  161    HD2  ARG  91           HD2      ARG  91  -0.882  10.913 -14.822
  162    HD3  ARG  91           HD3      ARG  91  -2.072  11.580 -15.936
  163    HE   ARG  91           HE       ARG  91   0.363  12.874 -14.872
  164   HH11  ARG  91          HH11      ARG  91  -2.597  13.491 -16.667
  165   HH12  ARG  91          HH12      ARG  91  -1.979  14.972 -17.343
  166   HH21  ARG  91          HH21      ARG  91   1.076  14.758 -15.770
  167   HH22  ARG  91          HH22      ARG  91   0.053  15.671 -16.839
  168    H    GLN  92           H        GLN  92  -6.745  11.041 -13.241
  169    HA   GLN  92           HA       GLN  92  -7.662   8.760 -11.800
  170    HB2  GLN  92           HB2      GLN  92  -9.580   8.786 -13.316
  171    HB3  GLN  92           HB3      GLN  92  -9.202  10.394 -12.699
  172    HG2  GLN  92           HG2      GLN  92  -8.120  10.959 -14.890
  173    HG3  GLN  92           HG3      GLN  92  -8.484   9.335 -15.475
  174   HE21  GLN  92          HE22      GLN  92 -10.099  12.347 -14.259
  175   HE22  GLN  92          HE21      GLN  92 -11.555  12.065 -15.200
  176    HA   PRO  93           HA       PRO  93  -6.026   5.395 -14.290
  177    HB2  PRO  93           HB2      PRO  93  -7.732   3.354 -13.688
  178    HB3  PRO  93           HB3      PRO  93  -6.567   4.023 -12.506
  179    HG2  PRO  93           HG2      PRO  93  -9.507   4.715 -12.799
  180    HG3  PRO  93           HG3      PRO  93  -8.608   4.283 -11.308
  181    HD2  PRO  93           HD2      PRO  93  -9.079   6.875 -12.003
  182    HD3  PRO  93           HD3      PRO  93  -7.547   6.380 -11.226
  183    H    ALA  94           H        ALA  94  -6.472   4.108 -16.171
  184    HA   ALA  94           HA       ALA  94  -7.751   5.571 -18.147
  185    HB1  ALA  94           HB1      ALA  94  -6.947   2.629 -18.199
  186    HB2  ALA  94           HB2      ALA  94  -7.201   3.669 -19.614
  187    HB3  ALA  94           HB3      ALA  94  -5.874   4.021 -18.494
  188    H    TRP  95           H        TRP  95  -9.191   2.804 -16.379
  189    HA   TRP  95           HA       TRP  95 -11.436   2.413 -18.120
  190    HB2  TRP  95           HB2      TRP  95 -12.460   1.394 -15.987
  191    HB3  TRP  95           HB3      TRP  95 -11.038   0.649 -16.695
  192    HD1  TRP  95           HD1      TRP  95  -8.878   0.515 -15.297
  193    HE1  TRP  95           HE1      TRP  95  -8.367   0.829 -12.802
  194    HE3  TRP  95           HE3      TRP  95 -13.235   2.855 -13.832
  195    HZ2  TRP  95           HZ2      TRP  95  -9.660   1.909 -10.486
  196    HZ3  TRP  95           HZ3      TRP  95 -13.515   3.553 -11.491
  197    HH2  TRP  95           HH2      TRP  95 -11.758   3.057  -9.805
  198    H    LEU  96           H        LEU  96 -10.878   4.807 -15.609
  199    HA   LEU  96           HA       LEU  96 -13.597   5.332 -14.967
  200    HB2  LEU  96           HB2      LEU  96 -11.444   5.738 -13.692
  201    HB3  LEU  96           HB3      LEU  96 -11.227   7.213 -14.622
  202    HG   LEU  96           HG       LEU  96 -13.818   6.728 -13.099
  203   HD11  LEU  96          HD11      LEU  96 -12.730   7.800 -11.130
  204   HD12  LEU  96          HD12      LEU  96 -12.039   6.211 -11.509
  205   HD13  LEU  96          HD13      LEU  96 -11.172   7.705 -11.954
  206   HD21  LEU  96          HD21      LEU  96 -12.191   9.273 -13.566
  207   HD22  LEU  96          HD22      LEU  96 -13.629   8.827 -14.495
  208   HD23  LEU  96          HD23      LEU  96 -13.768   9.164 -12.770
  209    H    GLY  97           H        GLY  97 -11.558   6.609 -17.499
  210    HA2  GLY  97           HA2      GLY  97 -12.865   9.091 -17.957
  211    HA3  GLY  97           HA3      GLY  97 -11.679   8.320 -19.003
  212    H    ASN  98           H        ASN  98 -15.032   7.428 -18.100
  213    HA   ASN  98           HA       ASN  98 -15.993   7.955 -20.856
  214    HB2  ASN  98           HB2      ASN  98 -15.215   5.615 -20.943
  215    HB3  ASN  98           HB3      ASN  98 -16.190   5.216 -19.530
  216   HD21  ASN  98          HD22      ASN  98 -17.880   3.940 -20.271
  217   HD22  ASN  98          HD21      ASN  98 -18.842   4.328 -21.686
  218    H    ASP  99           H        ASP  99 -17.073   6.536 -17.698
  219    HA   ASP  99           HA       ASP  99 -19.205   8.535 -17.448
  220    HB2  ASP  99           HB2      ASP  99 -20.254   6.969 -18.982
  221    HB3  ASP  99           HB3      ASP  99 -19.843   5.610 -17.935
  222    HA   PRO 100           HA       PRO 100 -17.133   7.507 -13.398
  223    HB2  PRO 100           HB2      PRO 100 -18.986   9.795 -12.796
  224    HB3  PRO 100           HB3      PRO 100 -17.374   9.408 -12.117
  225    HG2  PRO 100           HG2      PRO 100 -17.566  11.218 -14.112
  226    HG3  PRO 100           HG3      PRO 100 -16.281   9.965 -14.173
  227    HD2  PRO 100           HD2      PRO 100 -18.906  10.041 -15.653
  228    HD3  PRO 100           HD3      PRO 100 -17.298   9.506 -16.225
  229    H    ALA 101           H        ALA 101 -20.690   7.936 -13.820
  230    HA   ALA 101           HA       ALA 101 -21.429   6.749 -11.372
  231    HB1  ALA 101           HB1      ALA 101 -22.910   8.163 -12.760
  232    HB2  ALA 101           HB2      ALA 101 -22.957   6.891 -14.007
  233    HB3  ALA 101           HB3      ALA 101 -23.671   6.603 -12.406
  234    H    ALA 102           H        ALA 102 -20.243   5.122 -14.240
  235    HA   ALA 102           HA       ALA 102 -21.450   2.543 -13.763
  236    HB1  ALA 102           HB1      ALA 102 -18.889   3.312 -15.228
  237    HB2  ALA 102           HB2      ALA 102 -19.768   1.777 -15.380
  238    HB3  ALA 102           HB3      ALA 102 -20.520   3.283 -15.941
  239    H    PHE 103           H        PHE 103 -18.778   4.190 -12.221
  240    HA   PHE 103           HA       PHE 103 -18.095   1.743 -10.659
  241    HB2  PHE 103           HB2      PHE 103 -15.606   2.839 -11.088
  242    HB3  PHE 103           HB3      PHE 103 -16.278   1.425 -11.849
  243    HD1  PHE 103           HD2      PHE 103 -16.427   5.160 -12.399
  244    HD2  PHE 103           HD1      PHE 103 -16.040   1.233 -14.142
  245    HE1  PHE 103           HE2      PHE 103 -16.239   6.162 -14.646
  246    HE2  PHE 103           HE1      PHE 103 -15.844   2.252 -16.389
  247    HZ   PHE 103           HZ       PHE 103 -15.944   4.720 -16.646
  248    H    LEU 104           H        LEU 104 -18.796   5.074 -10.438
  249    HA   LEU 104           HA       LEU 104 -17.392   5.796  -8.090
  250    HB2  LEU 104           HB2      LEU 104 -19.948   6.558  -9.418
  251    HB3  LEU 104           HB3      LEU 104 -19.818   6.945  -7.700
  252    HG   LEU 104           HG       LEU 104 -17.803   7.785  -9.789
  253   HD11  LEU 104          HD11      LEU 104 -18.794  10.022  -9.594
  254   HD12  LEU 104          HD12      LEU 104 -19.989   8.853 -10.163
  255   HD13  LEU 104          HD13      LEU 104 -20.022   9.392  -8.470
  256   HD21  LEU 104          HD21      LEU 104 -16.730   7.787  -7.597
  257   HD22  LEU 104          HD22      LEU 104 -17.133   9.456  -7.980
  258   HD23  LEU 104          HD23      LEU 104 -18.153   8.549  -6.845
  259    H    ILE 105           H        ILE 105 -17.447   5.208  -6.041
  260    HA   ILE 105           HA       ILE 105 -19.277   3.104  -5.059
  261    HB   ILE 105           HB       ILE 105 -17.099   4.647  -3.593
  262   HG12  ILE 105          HG12      ILE 105 -17.013   1.782  -4.656
  263   HG13  ILE 105          HG13      ILE 105 -16.298   3.154  -5.508
  264   HG21  ILE 105          HG21      ILE 105 -17.413   2.763  -1.922
  265   HG22  ILE 105          HG22      ILE 105 -18.840   3.775  -2.061
  266   HG23  ILE 105          HG23      ILE 105 -18.799   2.202  -2.889
  267   HD11  ILE 105          HD11      ILE 105 -14.519   2.182  -4.296
  268   HD12  ILE 105          HD12      ILE 105 -14.963   3.680  -3.439
  269   HD13  ILE 105          HD13      ILE 105 -15.462   2.097  -2.797
  270    H    GLN 106           H        GLN 106 -21.054   3.476  -3.886
  271    HA   GLN 106           HA       GLN 106 -21.597   6.116  -2.669
  272    HB2  GLN 106           HB2      GLN 106 -23.917   6.075  -3.595
  273    HB3  GLN 106           HB3      GLN 106 -22.652   6.363  -4.789
  274    HG2  GLN 106           HG2      GLN 106 -22.838   4.045  -5.603
  275    HG3  GLN 106           HG3      GLN 106 -23.999   3.666  -4.323
  276   HE21  GLN 106          HE22      GLN 106 -26.032   3.445  -5.287
  277   HE22  GLN 106          HE21      GLN 106 -26.646   4.542  -6.514
  278    HA   PRO 107           HA       PRO 107 -23.011   3.607   0.649
  279    HB2  PRO 107           HB2      PRO 107 -24.851   5.192   1.941
  280    HB3  PRO 107           HB3      PRO 107 -23.092   5.505   1.939
  281    HG2  PRO 107           HG2      PRO 107 -25.197   6.738   0.128
  282    HG3  PRO 107           HG3      PRO 107 -23.915   7.571   1.066
  283    HD2  PRO 107           HD2      PRO 107 -23.614   6.985  -1.562
  284    HD3  PRO 107           HD3      PRO 107 -22.234   6.841  -0.433
  285    H    ASP 108           H        ASP 108 -24.627   2.230   1.352
  286    HA   ASP 108           HA       ASP 108 -26.420   1.192  -0.438
  287    HB2  ASP 108           HB2      ASP 108 -25.418   0.060   1.527
  288    HB3  ASP 108           HB3      ASP 108 -26.493   0.972   2.585
  289    H    LEU 109           H        LEU 109 -27.015   3.861   1.675
  290    HA   LEU 109           HA       LEU 109 -29.748   4.201   0.700
  291    HB2  LEU 109           HB2      LEU 109 -28.825   4.301   3.602
  292    HB3  LEU 109           HB3      LEU 109 -30.332   5.046   3.078
  293    HG   LEU 109           HG       LEU 109 -29.716   2.063   2.859
  294   HD11  LEU 109          HD11      LEU 109 -31.488   3.600   4.805
  295   HD12  LEU 109          HD12      LEU 109 -31.313   1.832   4.715
  296   HD13  LEU 109          HD13      LEU 109 -29.933   2.830   5.192
  297   HD21  LEU 109          HD21      LEU 109 -32.162   1.862   2.450
  298   HD22  LEU 109          HD22      LEU 109 -32.302   3.631   2.407
  299   HD23  LEU 109          HD23      LEU 109 -31.365   2.764   1.165
  300    HA   PRO 110           HA       PRO 110 -28.240   8.198  -0.177
  301    HB2  PRO 110           HB2      PRO 110 -30.468   9.816  -0.080
  302    HB3  PRO 110           HB3      PRO 110 -30.170   8.589  -1.346
  303    HG2  PRO 110           HG2      PRO 110 -31.843   8.299   1.166
  304    HG3  PRO 110           HG3      PRO 110 -32.292   7.877  -0.521
  305    HD2  PRO 110           HD2      PRO 110 -31.384   6.007   1.221
  306    HD3  PRO 110           HD3      PRO 110 -30.886   5.962  -0.498
  307    H    ALA 111           H        ALA 111 -27.364  10.018   0.721
  308    HA   ALA 111           HA       ALA 111 -27.284  10.341   3.581
  309    HB1  ALA 111           HB1      ALA 111 -25.874  12.297   3.034
  310    HB2  ALA 111           HB2      ALA 111 -25.386  10.874   2.093
  311    HB3  ALA 111           HB3      ALA 111 -26.339  12.170   1.327
  312    H    ILE 112           H        ILE 112 -27.911  12.153   4.809
  313    HA   ILE 112           HA       ILE 112 -29.733  13.141   5.740
  314    HB   ILE 112           HB       ILE 112 -28.003  14.732   5.238
  315   HG12  ILE 112          HG12      ILE 112 -29.132  16.837   5.520
  316   HG13  ILE 112          HG13      ILE 112 -30.663  16.178   4.962
  317   HG21  ILE 112          HG21      ILE 112 -29.499  15.499   2.705
  318   HG22  ILE 112          HG22      ILE 112 -28.092  16.333   3.392
  319   HG23  ILE 112          HG23      ILE 112 -27.929  14.682   2.801
  320   HD11  ILE 112          HD11      ILE 112 -30.793  14.722   6.945
  321   HD12  ILE 112          HD12      ILE 112 -29.175  15.267   7.468
  322   HD13  ILE 112          HD13      ILE 112 -30.538  16.403   7.429
  323    H    LEU 113           H        LEU 113 -31.029  11.428   4.764
  324    HA   LEU 113           HA       LEU 113 -33.000  12.053   2.758
  325    HB2  LEU 113           HB2      LEU 113 -32.263   9.766   3.313
  326    HB3  LEU 113           HB3      LEU 113 -32.940   9.920   4.935
  327    HG   LEU 113           HG       LEU 113 -35.222  10.045   3.996
  328   HD11  LEU 113          HD11      LEU 113 -35.605   9.492   1.597
  329   HD12  LEU 113          HD12      LEU 113 -34.815  11.057   1.799
  330   HD13  LEU 113          HD13      LEU 113 -33.859   9.642   1.294
  331   HD21  LEU 113          HD21      LEU 113 -33.601   7.692   2.937
  332   HD22  LEU 113          HD22      LEU 113 -34.242   7.866   4.583
  333   HD23  LEU 113          HD23      LEU 113 -35.355   7.715   3.215
  334    H    GLU 114           H        GLU 114 -32.988  12.401   6.278
  335    HA   GLU 114           HA       GLU 114 -35.300  14.170   6.274
  336    HB2  GLU 114           HB2      GLU 114 -36.630  12.907   7.874
  337    HB3  GLU 114           HB3      GLU 114 -36.460  12.036   6.357
  338    HG2  GLU 114           HG2      GLU 114 -34.732  10.566   7.404
  339    HG3  GLU 114           HG3      GLU 114 -34.912  11.448   8.921