*HEADER    NEUROPEPTIDE                            09-JUL-04   1TZ4              
*TITLE     [HPP19-23]-PNPY BOUND TO DPC MICELLES                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHIMERA OF NEUROPEPTIDE Y AND PANCREATIC HORMONE;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: [HPP19-23]-PNPY;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA AND HOMO SAPIENS;                    
*SOURCE   3 ORGANISM_COMMON: PIG AND HUMAN;                                      
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PUBK19-[HPP19-23]-PNPY-G                  
*KEYWDS    NPY-PP CHIMERA                                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.LERCH, H.KAMIMORI, G.FOLKERS, M.I.AGUILAR, A.G.BECK-                
*AUTHOR   2 SICKINGER, O.ZERBE                                                   
*REVDAT   1   05-JUL-05 1TZ4    0                                                

#
#   4 LYS+ HN      4 LYS+ QB      3.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  54,  55,
 &end
#
#   4 LYS+ HN      4 LYS+ QD      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=  60,  61,
 &end
#
#   4 LYS+ HN      4 LYS+ QE      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2=  63,  64,
 &end
#
#   8 PRO  HA      9 GLY  HN      3.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#   9 GLY  HN     10 GLU- HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 133, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  10 GLU- HN     10 GLU- QB      3.83                
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 137, 138,
 &end
#
#  10 GLU- HN     11 ASP- HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  10 GLU- HA     11 ASP- HN      3.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 148, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  10 GLU- HB2    11 ASP- HN      4.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 148, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  10 GLU- HB3    11 ASP- HN      4.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 148, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  10 GLU- QB     11 ASP- HN      4.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 137, 138,
 &end
#
#  11 ASP- HN     11 ASP- HB2     4.11                
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  11 ASP- HN     11 ASP- HB3     4.11                
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  11 ASP- HN     12 ALA  HN      3.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  12 ALA  HA     13 PRO  QD      3.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 171, 172,
 &end
#
#  13 PRO  HA     14 ALA  HN      3.21                
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  13 PRO  QD     14 ALA  HN      5.59                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 171, 172,
 &end
#
#  14 ALA  HN     15 GLU- HB2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 ALA  HN     15 GLU- HB3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 ALA  HN     15 GLU- QB      5.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 198, 199,
 &end
#
#  14 ALA  HN     17 LEU  QD1     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr2= 230, 231, 232,
 &end
#
#  14 ALA  HN     17 LEU  QD2     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr2= 234, 235, 236,
 &end
#
#  14 ALA  HA     15 GLU- HN      3.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  14 ALA  QB     15 GLU- HA      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 188, 189, 190,
 &end
#
#  15 GLU- HN     15 GLU- HB2     3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  15 GLU- HN     15 GLU- HB3     3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  15 GLU- HN     15 GLU- QB      3.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 198, 199,
 &end
#
#  15 GLU- HN     15 GLU- QG      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 201, 202,
 &end
#
#  15 GLU- HN     16 ASP- HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 209, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  15 GLU- HA     16 ASP- HN      3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 209, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  15 GLU- HA     18 ALA  QB      5.81                
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2= 244, 245, 246,
 &end
#
#  15 GLU- HB2    16 ASP- HN      4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 209, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  15 GLU- HB3    16 ASP- HN      4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 209, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  15 GLU- QB     16 ASP- HN      3.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 198, 199,
 &end
#
#  15 GLU- QG     16 ASP- HN      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 201, 202,
 &end
#
#  16 ASP- HN     16 ASP- HB2     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  16 ASP- HN     16 ASP- HB3     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 214, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  16 ASP- HN     16 ASP- QB      3.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 213, 214,
 &end
#
#  16 ASP- HN     17 LEU  HN      3.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 221, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  16 ASP- HN     17 LEU  QB      5.76                
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 225, 226,
 &end
#
#  16 ASP- HA     19 GLN  HB2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 ASP- HA     19 GLN  HB3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 ASP- HB2    17 LEU  HN      3.89                
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 221, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  16 ASP- HB3    17 LEU  HN      3.89                
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 221, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  16 ASP- QB     17 LEU  HN      3.60                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 213, 214,
 &end
#
#  17 LEU  HN     17 LEU  QB      3.90                
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 225, 226,
 &end
#
#  17 LEU  HN     17 LEU  HG      4.76                
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 228, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  17 LEU  HN     17 LEU  QD1     6.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr2= 230, 231, 232,
 &end
#
#  17 LEU  HN     17 LEU  QD2     6.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr2= 234, 235, 236,
 &end
#
#  17 LEU  HN     17 LEU  QQD     6.21                
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 227, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,  &end
#
#  17 LEU  HN     18 ALA  HN      3.61                
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  17 LEU  HA     17 LEU  QD1     4.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 230, 231, 232,
 &end
#
#  17 LEU  HA     17 LEU  QD2     4.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 234, 235, 236,
 &end
#
#  17 LEU  HA     17 LEU  QQD     4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  17 LEU  HA     20 TYR  HN      3.76                
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 267, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  17 LEU  HA     20 TYR  HB2     3.11                
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 271, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  17 LEU  HA     20 TYR  HB3     3.11                
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 272, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  17 LEU  HA     20 TYR  QD      6.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 275, 284,
 &end
#
#  17 LEU  HA     20 TYR  QE      7.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr2= 277, 282,
 &end
#
#  17 LEU  QB     18 ALA  HN      4.83                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 225, 226,
 &end
#
#  17 LEU  HG     18 ALA  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 240, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  17 LEU  QD1    18 ALA  HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 230, 231, 232,
 &end
#
#  17 LEU  QD1    18 ALA  HA      5.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 230, 231, 232,
 &end
#
#  17 LEU  QD1    20 TYR  QD      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 230, 231, 232,
 igr2= 275, 284,
 &end
#
#  17 LEU  QD1    20 TYR  QE      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr1= 230, 231, 232,
 igr2= 277, 282,
 &end
#
#  17 LEU  QD2    18 ALA  HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 234, 235, 236,
 &end
#
#  17 LEU  QD2    18 ALA  HA      5.85                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 234, 235, 236,
 &end
#
#  17 LEU  QD2    20 TYR  QD      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 234, 235, 236,
 igr2= 275, 284,
 &end
#
#  17 LEU  QD2    20 TYR  QE      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr1= 234, 235, 236,
 igr2= 277, 282,
 &end
#
#  17 LEU  QQD    18 ALA  HN      6.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 240, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,  &end
#
#  18 ALA  HN     19 GLN  HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  19 GLN  HN     19 GLN  HB2     3.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  19 GLN  HN     19 GLN  HB3     3.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  19 GLN  HN     19 GLN  HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 GLN  HN     19 GLN  HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 GLN  HN     19 GLN  QG      5.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 257, 258,
 &end
#
#  19 GLN  HN     20 TYR  HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 267, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  19 GLN  HN     21 ALA  HN      4.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 288, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  19 GLN  HA     19 GLN  HB2     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  19 GLN  HA     19 GLN  HB3     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 255, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  19 GLN  HA     22 ALA  HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 298, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  19 GLN  HA     22 ALA  QB      3.58                
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 302, 303, 304,
 &end
#
#  19 GLN  HB2    20 TYR  HN      3.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 267, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  19 GLN  HB3    20 TYR  HN      3.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 267, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  19 GLN  QB     20 TYR  HN      3.41                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 254, 255,
 &end
#
#  19 GLN  QB     22 ALA  HN      5.82                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 254, 255,
 &end
#
#  19 GLN  HG2    20 TYR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 GLN  HG3    20 TYR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 TYR  HN     20 TYR  HB2     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  20 TYR  HN     20 TYR  HB3     3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  20 TYR  HN     20 TYR  QB      3.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 271, 272,
 &end
#
#  20 TYR  HN     21 ALA  HN      2.77                
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 288, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
#  20 TYR  HN     22 ALA  QB      5.66                
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 302, 303, 304,
 &end
#
#  20 TYR  HA     20 TYR  HB2     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  20 TYR  HA     20 TYR  HB3     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  20 TYR  HA     23 ASP- HN      3.61                
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 308, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  20 TYR  HA     23 ASP- QB      4.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 312, 313,
 &end
#
#  20 TYR  HA     24 LEU  HN      4.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 320, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  20 TYR  HB2    21 ALA  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 TYR  HB2    22 ALA  HN      5.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 298, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  20 TYR  HB3    21 ALA  HN      3.70                
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 288, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 TYR  HB3    22 ALA  HN      5.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 298, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  21 ALA  HN     22 ALA  HN      3.17                
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 298, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  21 ALA  HA     24 LEU  HN      4.32                
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 320, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  21 ALA  HA     25 ARG+ HN      4.45                
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 339, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  21 ALA  QB     24 LEU  HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 292, 293, 294,
 &end
#
#  22 ALA  HN     23 ASP- HN      3.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 308, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  22 ALA  HN     23 ASP- QB      5.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 312, 313,
 &end
#
#  22 ALA  HN     24 LEU  HN      3.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  22 ALA  HA     25 ARG+ HN      4.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 339, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  22 ALA  HA     25 ARG+ HB2     3.24                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 343, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  22 ALA  HA     25 ARG+ HB3     3.24                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 344, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  22 ALA  HA     25 ARG+ QB      2.97                
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 343, 344,
 &end
#
#  22 ALA  HA     25 ARG+ HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  22 ALA  HA     25 ARG+ HD3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  22 ALA  QB     23 ASP- HA      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 302, 303, 304,
 &end
#
#  23 ASP- HN     23 ASP- HB2     4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 312, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  23 ASP- HN     23 ASP- HB3     4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 313, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  23 ASP- HN     23 ASP- QB      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 312, 313,
 &end
#
#  23 ASP- HA     23 ASP- HB2     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  23 ASP- HA     23 ASP- HB3     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 313, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  23 ASP- HA     26 HIS  HN      3.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 363, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 ASP- HA     26 HIS  HB2     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 367, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  23 ASP- HA     26 HIS  HB3     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 368, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  23 ASP- HA     26 HIS  QB      3.14                
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 367, 368,
 &end
#
#  23 ASP- HA     26 HIS  HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  23 ASP- HA     27 TYR  HN      3.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 380, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  23 ASP- HB2    24 LEU  HN      3.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 ASP- HB3    24 LEU  HN      3.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  23 ASP- QB     24 LEU  HN      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 312, 313,
 &end
#
#  24 LEU  HN     24 LEU  HG      3.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 327, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  24 LEU  HN     24 LEU  QD1     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr2= 329, 330, 331,
 &end
#
#  24 LEU  HN     24 LEU  QD2     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr2= 333, 334, 335,
 &end
#
#  24 LEU  HN     25 ARG+ QG      5.91                
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 346, 347,
 &end
#
#  24 LEU  HA     24 LEU  HG      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  24 LEU  HA     24 LEU  QD1     4.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 329, 330, 331,
 &end
#
#  24 LEU  HA     24 LEU  QD2     4.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 333, 334, 335,
 &end
#
#  24 LEU  HA     27 TYR  QB      4.11                
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 384, 385,
 &end
#
#  24 LEU  HG     25 ARG+ HN      4.76                
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 339, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  24 LEU  HG     27 TYR  QD      7.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr2= 388, 397,
 &end
#
#  24 LEU  QD1    25 ARG+ HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 329, 330, 331,
 &end
#
#  24 LEU  QD1    27 TYR  QB      7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 329, 330, 331,
 igr2= 384, 385,
 &end
#
#  24 LEU  QD1    27 TYR  QD      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 329, 330, 331,
 igr2= 388, 397,
 &end
#
#  24 LEU  QD2    25 ARG+ HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 333, 334, 335,
 &end
#
#  24 LEU  QD2    27 TYR  QB      7.09                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
 igr1= 333, 334, 335,
 igr2= 384, 385,
 &end
#
#  24 LEU  QD2    27 TYR  QD      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 333, 334, 335,
 igr2= 388, 397,
 &end
#
#  24 LEU  QQD    27 TYR  QB      6.82                
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr2= 384, 385,
 &end
#
#  25 ARG+ HN     25 ARG+ HB2     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  25 ARG+ HN     25 ARG+ HB3     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  25 ARG+ HN     25 ARG+ QB      3.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 343, 344,
 &end
#
#  25 ARG+ HN     25 ARG+ HG2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 ARG+ HN     25 ARG+ HG3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 ARG+ HN     25 ARG+ QG      5.21                
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 346, 347,
 &end
#
#  25 ARG+ HN     25 ARG+ QD      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 349, 350,
 &end
#
#  25 ARG+ HN     26 HIS  HN      3.48                
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  25 ARG+ HA     25 ARG+ HB2     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  25 ARG+ HA     25 ARG+ HB3     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 344, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  25 ARG+ HA     25 ARG+ QG      3.96                
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 346, 347,
 &end
#
#  25 ARG+ HA     25 ARG+ HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 ARG+ HA     25 ARG+ HD3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  25 ARG+ HA     28 ILE  HN      4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 401, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  25 ARG+ HA     28 ILE  HB      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 405, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  25 ARG+ HA     28 ILE  QD1     5.19                
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 414, 415, 416,
 &end
#
#  25 ARG+ HA     29 ASN  HN      4.79                
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 420, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  25 ARG+ HB2    26 HIS  HN      4.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  25 ARG+ HB3    26 HIS  HN      4.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 363, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  25 ARG+ QB     26 HIS  HN      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 343, 344,
 &end
#
#  25 ARG+ QG     26 HIS  HN      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 346, 347,
 &end
#
#  26 HIS  HN     26 HIS  HB2     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  26 HIS  HN     26 HIS  HB3     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 368, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  26 HIS  HN     27 TYR  HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  26 HIS  HN     28 ILE  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 HIS  HA     26 HIS  HB2     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  26 HIS  HA     26 HIS  HB3     3.02                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  26 HIS  HA     26 HIS  HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 HIS  HA     29 ASN  HN      4.01                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 420, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  26 HIS  HA     29 ASN  HB2     3.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 424, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  26 HIS  HA     29 ASN  HB3     3.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 425, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  26 HIS  HA     30 LEU  HN      4.69                
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 434, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  26 HIS  HB2    27 TYR  HN      3.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 380, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  26 HIS  HB3    27 TYR  HN      3.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  26 HIS  QB     27 TYR  HN      3.65                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 367, 368,
 &end
#
#  26 HIS  HD2    27 TYR  HA      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 HIS  HD2    27 TYR  QD      7.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr2= 388, 397,
 &end
#
#  26 HIS  HD2    27 TYR  QE      6.36                
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2= 390, 395,
 &end
#
#  26 HIS  HD2    30 LEU  QQD     7.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 440, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,  &end
#
#  27 TYR  HN     27 TYR  QE      7.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr2= 390, 395,
 &end
#
#  27 TYR  HN     28 ILE  HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 401, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  27 TYR  HA     30 LEU  HN      3.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 434, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  27 TYR  HA     30 LEU  QQD     6.24                
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 440, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,  &end
#
#  27 TYR  QB     28 ILE  QD1     7.22                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.73, r4=10.23,
 igr1= 384, 385,
 igr2= 414, 415, 416,
 &end
#
#  27 TYR  QD     30 LEU  QB      8.52                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23,
 igr1= 388, 397,
 igr2= 438, 439,
 &end
#
#  27 TYR  QD     30 LEU  QQD     9.77                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3=10.97, r4=11.47,
 igr1= 388, 397,
 &end
#
#  27 TYR  QE     30 LEU  QQD     9.76                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3=10.96, r4=11.46,
 igr1= 390, 395,
 &end
#
#  27 TYR  QE     31 ILE  QG2     8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr1= 390, 395,
 igr2= 459, 460, 461,
 &end
#
#  28 ILE  HN     28 ILE  HB      3.08                
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  28 ILE  HN     28 ILE  HG12    5.19                
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  28 ILE  HN     28 ILE  HG13    5.19                
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  28 ILE  HN     28 ILE  QG1     4.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 411, 412,
 &end
#
#  28 ILE  HN     28 ILE  QD1     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr2= 414, 415, 416,
 &end
#
#  28 ILE  HN     29 ASN  HN      3.39                
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 420, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  28 ILE  HA     28 ILE  HB      2.71                
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 405, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#  28 ILE  HA     28 ILE  HG12    3.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 411, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  28 ILE  HA     28 ILE  HG13    3.95                
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 412, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  28 ILE  HA     28 ILE  QG1     3.47                
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 411, 412,
 &end
#
#  28 ILE  HA     28 ILE  QD1     4.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 414, 415, 416,
 &end
#
#  28 ILE  HA     31 ILE  HN      4.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 453, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  28 ILE  HA     31 ILE  QG1     6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 463, 464,
 &end
#
#  28 ILE  HA     32 THR  HN      5.10                
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 472, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  28 ILE  HA     32 THR  QG2     6.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 478, 479, 480,
 &end
#
#  28 ILE  HB     29 ASN  HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  28 ILE  QG2    29 ASN  HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 407, 408, 409,
 &end
#
#  28 ILE  QD1    29 ASN  HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 414, 415, 416,
 &end
#
#  29 ASN  HN     29 ASN  HB2     3.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  29 ASN  HN     29 ASN  HB3     3.52                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  29 ASN  HN     29 ASN  QB      3.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 424, 425,
 &end
#
#  29 ASN  HN     30 LEU  HN      3.61                
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 434, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  29 ASN  HA     29 ASN  HB2     2.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  29 ASN  HA     29 ASN  HB3     2.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 425, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  29 ASN  HA     32 THR  HN      3.80                
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 472, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  29 ASN  HA     32 THR  QG2     5.69                
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 478, 479, 480,
 &end
#
#  29 ASN  HA     33 ARG+ HN      5.07                
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 486, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  29 ASN  HB2    30 LEU  HN      3.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 434, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  29 ASN  HB3    30 LEU  HN      3.92                
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 434, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  30 LEU  HN     30 LEU  HG      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  30 LEU  HN     30 LEU  QQD     7.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 440, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,  &end
#
#  30 LEU  HN     31 ILE  HN      3.30                
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 453, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  30 LEU  HN     31 ILE  HB      4.69                
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 457, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  30 LEU  HN     32 THR  HN      4.88                
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 472, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  30 LEU  HA     30 LEU  HG      2.93                
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 441, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  30 LEU  HA     33 ARG+ HN      4.26                
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 486, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  30 LEU  HA     33 ARG+ QB      4.86                
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 490, 491,
 &end
#
#  30 LEU  HA     33 ARG+ QD      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 496, 497,
 &end
#
#  30 LEU  QB     31 ILE  HN      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 438, 439,
 &end
#
#  30 LEU  HG     31 ILE  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30 LEU  QQD    33 ARG+ QD      8.51                
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05,
 igr2= 496, 497,
 &end
#
#  31 ILE  HN     31 ILE  HB      3.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 457, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  31 ILE  HN     31 ILE  HG12    4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 463, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  31 ILE  HN     31 ILE  HG13    4.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 464, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  31 ILE  HN     31 ILE  QG1     4.06                
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 463, 464,
 &end
#
#  31 ILE  HN     31 ILE  QD1     5.94                
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr2= 466, 467, 468,
 &end
#
#  31 ILE  HN     32 THR  HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  31 ILE  HA     33 ARG+ HN      4.57                
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 486, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  31 ILE  HA     34 GLN  HN      4.04                
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 510, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  31 ILE  HA     34 GLN  QB      5.23                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 514, 515,
 &end
#
#  31 ILE  HA     34 GLN  QG      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 517, 518,
 &end
#
#  31 ILE  HA     35 ARG+ HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 ILE  HB     32 THR  HN      3.55                
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  31 ILE  HB     32 THR  QG2     6.53                
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr2= 478, 479, 480,
 &end
#
#  31 ILE  QG2    32 THR  HN      6.47                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
 igr1= 459, 460, 461,
 &end
#
#  31 ILE  QG2    32 THR  HA      5.16                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 459, 460, 461,
 &end
#
#  31 ILE  HG12   32 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 ILE  HG13   32 THR  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  31 ILE  QD1    32 THR  HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 466, 467, 468,
 &end
#
#  31 ILE  QD1    34 GLN  QG      7.40                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.98, r4=10.48,
 igr1= 466, 467, 468,
 igr2= 517, 518,
 &end
#
#  32 THR  HN     32 THR  HB      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  32 THR  HN     33 ARG+ HN      3.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 486, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  32 THR  HN     34 GLN  HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 THR  HA     32 THR  HB      2.68                
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18,  &end
#
#  32 THR  HA     35 ARG+ HN      5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 THR  HA     35 ARG+ HB2     4.07                
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 531, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  32 THR  HA     35 ARG+ HB3     4.07                
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 532, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  32 THR  HA     35 ARG+ QB      3.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 531, 532,
 &end
#
#  32 THR  HB     33 ARG+ HN      3.76                
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 486, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  32 THR  HB     36 TYR  QD      7.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr2= 559, 568,
 &end
#
#  32 THR  QG2    33 ARG+ HN      6.53                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 478, 479, 480,
 &end
#
#  32 THR  QG2    36 TYR  QD      8.67                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.69, r4=12.19,
 igr1= 478, 479, 480,
 igr2= 559, 568,
 &end
#
#  32 THR  QG2    36 TYR  QE      8.66                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.67, r4=12.17,
 igr1= 478, 479, 480,
 igr2= 561, 566,
 &end
#
#  33 ARG+ HN     33 ARG+ QG      5.85                
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 493, 494,
 &end
#
#  33 ARG+ HN     33 ARG+ QD      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 496, 497,
 &end
#
#  33 ARG+ HN     34 GLN  HN      4.20                
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 510, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  33 ARG+ HA     33 ARG+ QD      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr2= 496, 497,
 &end
#
#  33 ARG+ HA     34 GLN  HN      3.05                
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 510, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  33 ARG+ HA     36 TYR  QD      7.64                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr2= 559, 568,
 &end
#
#  33 ARG+ HA     36 TYR  QE      7.63                
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr2= 561, 566,
 &end
#
#  33 ARG+ QG     34 GLN  HN      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 493, 494,
 &end
#
#  34 GLN  HN     34 GLN  QG      6.28                
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 517, 518,
 &end
#
#  34 GLN  HN     35 ARG+ HN      3.73                
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 527, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  34 GLN  QG     35 ARG+ HN      6.38                
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 517, 518,
 &end
#
#  35 ARG+ HN     35 ARG+ HB2     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  35 ARG+ HN     35 ARG+ HB3     3.42                
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  35 ARG+ HN     35 ARG+ HG2     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 534, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  35 ARG+ HN     35 ARG+ HG3     5.25                
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 535, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  35 ARG+ HN     35 ARG+ QG      4.87                
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 534, 535,
 &end
#
#  35 ARG+ HN     35 ARG+ HD2     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  35 ARG+ HN     35 ARG+ HD3     5.50                
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  35 ARG+ HA     35 ARG+ HD2     5.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 537, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  35 ARG+ HA     35 ARG+ HD3     5.34                
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 538, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  35 ARG+ HA     35 ARG+ QD      4.97                
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 537, 538,
 &end
#
#  35 ARG+ HA     36 TYR  HN      3.33                
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 551, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
# 3183 atoms read from pdb file ../step3/NC1.pdb.
# 1 TYR PSI:  (1 TYR N)-(1 TYR CA)-(1 TYR C)-(2 PRO N) -305.0 -45.0
 &rst     iat =     1,     5,    22,    24,
	  r1 = -306.0, r2 = -305.0, r3 = -45.0, r4 = -44.0,
	  rk2 =   2.0, rk3 =   2.0,				&end

# 1 TYR PSI:  (1 TYR N)-(1 TYR CA)-(1 TYR C)-(2 PRO N) -55.0 185.0
 &rst     iat =     1,     5,    22,    24,
	  r1 = -56.0, r2 = -55.0, r3 = 185.0, r4 = 186.0,
	&end

# 2 PRO PSI:  (2 PRO N)-(2 PRO CA)-(2 PRO C)-(3 SER N) -315.0  15.0
 &rst     iat =    24,    34,    36,    38,
	  r1 = -316.0, r2 = -315.0, r3 =  15.0, r4 =  16.0,
	&end

# 2 PRO PSI:  (2 PRO N)-(2 PRO CA)-(2 PRO C)-(3 SER N) -95.0 205.0
 &rst     iat =    24,    34,    36,    38,
	  r1 = -96.0, r2 = -95.0, r3 = 205.0, r4 = 206.0,
	&end

# 3 SER PHI:  (2 PRO C)-(3 SER N)-(3 SER CA)-(3 SER C)  25.0 335.0
 &rst     iat =    36,    38,    40,    47,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 3 SER PHI:  (2 PRO C)-(3 SER N)-(3 SER CA)-(3 SER C) -215.0  95.0
 &rst     iat =    36,    38,    40,    47,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 3 SER PSI:  (3 SER N)-(3 SER CA)-(3 SER C)-(4 LYS N) -115.0 235.0
 &rst     iat =    38,    40,    47,    49,
	  r1 = -116.0, r2 = -115.0, r3 = 235.0, r4 = 236.0,
	&end

# 4 LYS PHI:  (3 SER C)-(4 LYS N)-(4 LYS CA)-(4 LYS C)  25.0 335.0
 &rst     iat =    47,    49,    51,    69,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 4 LYS PHI:  (3 SER C)-(4 LYS N)-(4 LYS CA)-(4 LYS C) -205.0  95.0
 &rst     iat =    47,    49,    51,    69,
	  r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
	&end

# 4 LYS CHI2:  (4 LYS CA)-(4 LYS CB)-(4 LYS CG)-(4 LYS CD)  15.0 345.0
 &rst     iat =    51,    53,    56,    59,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 PRO N) -305.0 -45.0
 &rst     iat =    49,    51,    69,    71,
	  r1 = -306.0, r2 = -305.0, r3 = -45.0, r4 = -44.0,
	&end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 PRO N) -65.0 185.0
 &rst     iat =    49,    51,    69,    71,
	  r1 = -66.0, r2 = -65.0, r3 = 185.0, r4 = 186.0,
	&end

# 5 PRO PSI:  (5 PRO N)-(5 PRO CA)-(5 PRO C)-(6 ASP N) -315.0  15.0
 &rst     iat =    71,    81,    83,    85,
	  r1 = -316.0, r2 = -315.0, r3 =  15.0, r4 =  16.0,
	&end

# 5 PRO PSI:  (5 PRO N)-(5 PRO CA)-(5 PRO C)-(6 ASP N) -95.0 205.0
 &rst     iat =    71,    81,    83,    85,
	  r1 = -96.0, r2 = -95.0, r3 = 205.0, r4 = 206.0,
	&end

# 6 ASP PHI:  (5 PRO C)-(6 ASP N)-(6 ASP CA)-(6 ASP C)  25.0 335.0
 &rst     iat =    83,    85,    87,    95,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 6 ASP PHI:  (5 PRO C)-(6 ASP N)-(6 ASP CA)-(6 ASP C) -215.0  95.0
 &rst     iat =    83,    85,    87,    95,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 6 ASP PSI:  (6 ASP N)-(6 ASP CA)-(6 ASP C)-(7 ASN N) -105.0 215.0
 &rst     iat =    85,    87,    95,    97,
	  r1 = -106.0, r2 = -105.0, r3 = 215.0, r4 = 216.0,
	&end

# 7 ASN PHI:  (6 ASP C)-(7 ASN N)-(7 ASN CA)-(7 ASN C)  25.0 335.0
 &rst     iat =    95,    97,    99,   109,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 7 ASN PHI:  (6 ASP C)-(7 ASN N)-(7 ASN CA)-(7 ASN C) -215.0  95.0
 &rst     iat =    95,    97,    99,   109,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 7 ASN CHI1:  (7 ASN N)-(7 ASN CA)-(7 ASN CB)-(7 ASN CG) -215.0  95.0
 &rst     iat =    97,    99,   101,   104,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 7 ASN CHI2:  (7 ASN CA)-(7 ASN CB)-(7 ASN CG)-(7 ASN OD1) -165.0 155.0
 &rst     iat =    99,   101,   104,   105,
	  r1 = -166.0, r2 = -165.0, r3 = 155.0, r4 = 156.0,
	&end

# 7 ASN PSI:  (7 ASN N)-(7 ASN CA)-(7 ASN C)-(8 PRO N) -305.0 -45.0
 &rst     iat =    97,    99,   109,   111,
	  r1 = -306.0, r2 = -305.0, r3 = -45.0, r4 = -44.0,
	&end

# 7 ASN PSI:  (7 ASN N)-(7 ASN CA)-(7 ASN C)-(8 PRO N) -55.0 185.0
 &rst     iat =    97,    99,   109,   111,
	  r1 = -56.0, r2 = -55.0, r3 = 185.0, r4 = 186.0,
	&end

# 8 PRO PSI:  (8 PRO N)-(8 PRO CA)-(8 PRO C)-(9 GLY N) -315.0  15.0
 &rst     iat =   111,   121,   123,   125,
	  r1 = -316.0, r2 = -315.0, r3 =  15.0, r4 =  16.0,
	&end

# 8 PRO PSI:  (8 PRO N)-(8 PRO CA)-(8 PRO C)-(9 GLY N)  -5.0 205.0
 &rst     iat =   111,   121,   123,   125,
	  r1 =  -6.0, r2 =  -5.0, r3 = 205.0, r4 = 206.0,
	&end

# 9 GLY PHI:  (8 PRO C)-(9 GLY N)-(9 GLY CA)-(9 GLY C)  25.0 335.0
 &rst     iat =   123,   125,   127,   130,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 9 GLY PSI:  (9 GLY N)-(9 GLY CA)-(9 GLY C)-(10 GLU N) -135.0 135.0
 &rst     iat =   125,   127,   130,   132,
	  r1 = -136.0, r2 = -135.0, r3 = 135.0, r4 = 136.0,
	&end

# 10 GLU PHI:  (9 GLY C)-(10 GLU N)-(10 GLU CA)-(10 GLU C) -295.0 -25.0
 &rst     iat =   130,   132,   134,   145,
	  r1 = -296.0, r2 = -295.0, r3 = -25.0, r4 = -24.0,
	&end

# 10 GLU PHI:  (9 GLY C)-(10 GLU N)-(10 GLU CA)-(10 GLU C) -215.0  95.0
 &rst     iat =   130,   132,   134,   145,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 10 GLU CHI1:  (10 GLU N)-(10 GLU CA)-(10 GLU CB)-(10 GLU CG) -225.0 115.0
 &rst     iat =   132,   134,   136,   139,
	  r1 = -226.0, r2 = -225.0, r3 = 115.0, r4 = 116.0,
	&end

# 10 GLU CHI2:  (10 GLU CA)-(10 GLU CB)-(10 GLU CG)-(10 GLU CD)  15.0 345.0
 &rst     iat =   134,   136,   139,   142,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 10 GLU PSI:  (10 GLU N)-(10 GLU CA)-(10 GLU C)-(11 ASP N) -255.0  15.0
 &rst     iat =   132,   134,   145,   147,
	  r1 = -256.0, r2 = -255.0, r3 =  15.0, r4 =  16.0,
	&end

# 10 GLU PSI:  (10 GLU N)-(10 GLU CA)-(10 GLU C)-(11 ASP N) -135.0 125.0
 &rst     iat =   132,   134,   145,   147,
	  r1 = -136.0, r2 = -135.0, r3 = 125.0, r4 = 126.0,
	&end

# 11 ASP PHI:  (10 GLU C)-(11 ASP N)-(11 ASP CA)-(11 ASP C)  25.0 335.0
 &rst     iat =   145,   147,   149,   157,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 11 ASP PHI:  (10 GLU C)-(11 ASP N)-(11 ASP CA)-(11 ASP C) -215.0  95.0
 &rst     iat =   145,   147,   149,   157,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 11 ASP PSI:  (11 ASP N)-(11 ASP CA)-(11 ASP C)-(12 ALA N) -155.0 145.0
 &rst     iat =   147,   149,   157,   159,
	  r1 = -156.0, r2 = -155.0, r3 = 145.0, r4 = 146.0,
	&end

# 11 ASP PSI:  (11 ASP N)-(11 ASP CA)-(11 ASP C)-(12 ALA N) -105.0 215.0
 &rst     iat =   147,   149,   157,   159,
	  r1 = -106.0, r2 = -105.0, r3 = 215.0, r4 = 216.0,
	&end

# 12 ALA PHI:  (11 ASP C)-(12 ALA N)-(12 ALA CA)-(12 ALA C)  25.0 305.0
 &rst     iat =   157,   159,   161,   167,
	  r1 =  24.0, r2 =  25.0, r3 = 305.0, r4 = 306.0,
	&end

# 12 ALA PHI:  (11 ASP C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -185.0  95.0
 &rst     iat =   157,   159,   161,   167,
	  r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
	&end

# 12 ALA PHI:  (11 ASP C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -85.0 215.0
 &rst     iat =   157,   159,   161,   167,
	  r1 = -86.0, r2 = -85.0, r3 = 215.0, r4 = 216.0,
	&end

# 12 ALA PSI:  (12 ALA N)-(12 ALA CA)-(12 ALA C)-(13 PRO N)  55.0 195.0
 &rst     iat =   159,   161,   167,   169,
	  r1 =  54.0, r2 =  55.0, r3 = 195.0, r4 = 196.0,
	&end

# 13 PRO PSI:  (13 PRO N)-(13 PRO CA)-(13 PRO C)-(14 ALA N) -315.0  15.0
 &rst     iat =   169,   179,   181,   183,
	  r1 = -316.0, r2 = -315.0, r3 =  15.0, r4 =  16.0,
	&end

# 13 PRO PSI:  (13 PRO N)-(13 PRO CA)-(13 PRO C)-(14 ALA N) -25.0 205.0
 &rst     iat =   169,   179,   181,   183,
	  r1 = -26.0, r2 = -25.0, r3 = 205.0, r4 = 206.0,
	&end

# 14 ALA PHI:  (13 PRO C)-(14 ALA N)-(14 ALA CA)-(14 ALA C)  25.0 305.0
 &rst     iat =   181,   183,   185,   191,
	  r1 =  24.0, r2 =  25.0, r3 = 305.0, r4 = 306.0,
	&end

# 14 ALA PHI:  (13 PRO C)-(14 ALA N)-(14 ALA CA)-(14 ALA C) -185.0  95.0
 &rst     iat =   181,   183,   185,   191,
	  r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
	&end

# 14 ALA PHI:  (13 PRO C)-(14 ALA N)-(14 ALA CA)-(14 ALA C) -85.0 205.0
 &rst     iat =   181,   183,   185,   191,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 14 ALA PSI:  (14 ALA N)-(14 ALA CA)-(14 ALA C)-(15 GLU N)  -5.0 235.0
 &rst     iat =   183,   185,   191,   193,
	  r1 =  -6.0, r2 =  -5.0, r3 = 235.0, r4 = 236.0,
	&end

# 16 ASP PHI:  (15 GLU C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) -285.0 -25.0
 &rst     iat =   206,   208,   210,   218,
	  r1 = -286.0, r2 = -285.0, r3 = -25.0, r4 = -24.0,
	&end

# 16 ASP PHI:  (15 GLU C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) -215.0  95.0
 &rst     iat =   206,   208,   210,   218,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 16 ASP CHI1:  (16 ASP N)-(16 ASP CA)-(16 ASP CB)-(16 ASP CG) -235.0 115.0
 &rst     iat =   208,   210,   212,   215,
	  r1 = -236.0, r2 = -235.0, r3 = 115.0, r4 = 116.0,
	&end

# 16 ASP PSI:  (16 ASP N)-(16 ASP CA)-(16 ASP C)-(17 LEU N) -105.0   5.0
 &rst     iat =   208,   210,   218,   220,
	  r1 = -106.0, r2 = -105.0, r3 =   5.0, r4 =   6.0,
	&end

# 17 LEU PHI:  (16 ASP C)-(17 LEU N)-(17 LEU CA)-(17 LEU C)  25.0 315.0
 &rst     iat =   218,   220,   222,   237,
	  r1 =  24.0, r2 =  25.0, r3 = 315.0, r4 = 316.0,
	&end

# 17 LEU PHI:  (16 ASP C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -185.0  95.0
 &rst     iat =   218,   220,   222,   237,
	  r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
	&end

# 17 LEU PHI:  (16 ASP C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -85.0 205.0
 &rst     iat =   218,   220,   222,   237,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 ALA N) -125.0 125.0
 &rst     iat =   220,   222,   237,   239,
	  r1 = -126.0, r2 = -125.0, r3 = 125.0, r4 = 126.0,
	&end

# 18 ALA PHI:  (17 LEU C)-(18 ALA N)-(18 ALA CA)-(18 ALA C)  25.0 325.0
 &rst     iat =   237,   239,   241,   247,
	  r1 =  24.0, r2 =  25.0, r3 = 325.0, r4 = 326.0,
	&end

# 18 ALA PHI:  (17 LEU C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -275.0  45.0
 &rst     iat =   237,   239,   241,   247,
	  r1 = -276.0, r2 = -275.0, r3 =  45.0, r4 =  46.0,
	&end

# 18 ALA PHI:  (17 LEU C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -205.0  95.0
 &rst     iat =   237,   239,   241,   247,
	  r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
	&end

# 18 ALA PHI:  (17 LEU C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -75.0 195.0
 &rst     iat =   237,   239,   241,   247,
	  r1 = -76.0, r2 = -75.0, r3 = 195.0, r4 = 196.0,
	&end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 GLN N) -135.0 135.0
 &rst     iat =   239,   241,   247,   249,
	  r1 = -136.0, r2 = -135.0, r3 = 135.0, r4 = 136.0,
	&end

# 19 GLN PHI:  (18 ALA C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -165.0 -45.0
 &rst     iat =   247,   249,   251,   264,
	  r1 = -166.0, r2 = -165.0, r3 = -45.0, r4 = -44.0,
	&end

# 19 GLN PHI:  (18 ALA C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -85.0 205.0
 &rst     iat =   247,   249,   251,   264,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 19 GLN CHI1:  (19 GLN N)-(19 GLN CA)-(19 GLN CB)-(19 GLN CG) -205.0 -105.0
 &rst     iat =   249,   251,   253,   256,
	  r1 = -206.0, r2 = -205.0, r3 = -105.0, r4 = -104.0,
	&end

# 19 GLN CHI2:  (19 GLN CA)-(19 GLN CB)-(19 GLN CG)-(19 GLN CD)  15.0 345.0
 &rst     iat =   251,   253,   256,   259,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 19 GLN PSI:  (19 GLN N)-(19 GLN CA)-(19 GLN C)-(20 TYR N) -115.0 -15.0
 &rst     iat =   249,   251,   264,   266,
	  r1 = -116.0, r2 = -115.0, r3 = -15.0, r4 = -14.0,
	&end

# 20 TYR PHI:  (19 GLN C)-(20 TYR N)-(20 TYR CA)-(20 TYR C) -195.0 -45.0
 &rst     iat =   264,   266,   268,   285,
	  r1 = -196.0, r2 = -195.0, r3 = -45.0, r4 = -44.0,
	&end

# 20 TYR PHI:  (19 GLN C)-(20 TYR N)-(20 TYR CA)-(20 TYR C) -75.0 205.0
 &rst     iat =   264,   266,   268,   285,
	  r1 = -76.0, r2 = -75.0, r3 = 205.0, r4 = 206.0,
	&end

# 20 TYR CHI1:  (20 TYR N)-(20 TYR CA)-(20 TYR CB)-(20 TYR CG) -315.0 -35.0
 &rst     iat =   266,   268,   270,   273,
	  r1 = -316.0, r2 = -315.0, r3 = -35.0, r4 = -34.0,
	&end

# 20 TYR CHI1:  (20 TYR N)-(20 TYR CA)-(20 TYR CB)-(20 TYR CG) -225.0  95.0
 &rst     iat =   266,   268,   270,   273,
	  r1 = -226.0, r2 = -225.0, r3 =  95.0, r4 =  96.0,
	&end

# 20 TYR PSI:  (20 TYR N)-(20 TYR CA)-(20 TYR C)-(21 ALA N) -85.0  -5.0
 &rst     iat =   266,   268,   285,   287,
	  r1 = -86.0, r2 = -85.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 21 ALA PHI:  (20 TYR C)-(21 ALA N)-(21 ALA CA)-(21 ALA C)  25.0 315.0
 &rst     iat =   285,   287,   289,   295,
	  r1 =  24.0, r2 =  25.0, r3 = 315.0, r4 = 316.0,
	&end

# 21 ALA PHI:  (20 TYR C)-(21 ALA N)-(21 ALA CA)-(21 ALA C) -285.0  55.0
 &rst     iat =   285,   287,   289,   295,
	  r1 = -286.0, r2 = -285.0, r3 =  55.0, r4 =  56.0,
	&end

# 21 ALA PHI:  (20 TYR C)-(21 ALA N)-(21 ALA CA)-(21 ALA C) -195.0  95.0
 &rst     iat =   285,   287,   289,   295,
	  r1 = -196.0, r2 = -195.0, r3 =  95.0, r4 =  96.0,
	&end

# 21 ALA PHI:  (20 TYR C)-(21 ALA N)-(21 ALA CA)-(21 ALA C) -85.0 205.0
 &rst     iat =   285,   287,   289,   295,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 21 ALA PSI:  (21 ALA N)-(21 ALA CA)-(21 ALA C)-(22 ALA N) -105.0 105.0
 &rst     iat =   287,   289,   295,   297,
	  r1 = -106.0, r2 = -105.0, r3 = 105.0, r4 = 106.0,
	&end

# 22 ALA PHI:  (21 ALA C)-(22 ALA N)-(22 ALA CA)-(22 ALA C)  25.0 325.0
 &rst     iat =   295,   297,   299,   305,
	  r1 =  24.0, r2 =  25.0, r3 = 325.0, r4 = 326.0,
	&end

# 22 ALA PHI:  (21 ALA C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -285.0  45.0
 &rst     iat =   295,   297,   299,   305,
	  r1 = -286.0, r2 = -285.0, r3 =  45.0, r4 =  46.0,
	&end

# 22 ALA PHI:  (21 ALA C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -195.0  95.0
 &rst     iat =   295,   297,   299,   305,
	  r1 = -196.0, r2 = -195.0, r3 =  95.0, r4 =  96.0,
	&end

# 22 ALA PHI:  (21 ALA C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -75.0 205.0
 &rst     iat =   295,   297,   299,   305,
	  r1 = -76.0, r2 = -75.0, r3 = 205.0, r4 = 206.0,
	&end

# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 ASP N) -115.0 125.0
 &rst     iat =   297,   299,   305,   307,
	  r1 = -116.0, r2 = -115.0, r3 = 125.0, r4 = 126.0,
	&end

# 23 ASP PHI:  (22 ALA C)-(23 ASP N)-(23 ASP CA)-(23 ASP C)  35.0 315.0
 &rst     iat =   305,   307,   309,   317,
	  r1 =  34.0, r2 =  35.0, r3 = 315.0, r4 = 316.0,
	&end

# 23 ASP PHI:  (22 ALA C)-(23 ASP N)-(23 ASP CA)-(23 ASP C) -285.0  45.0
 &rst     iat =   305,   307,   309,   317,
	  r1 = -286.0, r2 = -285.0, r3 =  45.0, r4 =  46.0,
	&end

# 23 ASP PHI:  (22 ALA C)-(23 ASP N)-(23 ASP CA)-(23 ASP C) -195.0  85.0
 &rst     iat =   305,   307,   309,   317,
	  r1 = -196.0, r2 = -195.0, r3 =  85.0, r4 =  86.0,
	&end

# 23 ASP PHI:  (22 ALA C)-(23 ASP N)-(23 ASP CA)-(23 ASP C) -85.0 205.0
 &rst     iat =   305,   307,   309,   317,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 23 ASP CHI1:  (23 ASP N)-(23 ASP CA)-(23 ASP CB)-(23 ASP CG) -345.0  -5.0
 &rst     iat =   307,   309,   311,   314,
	  r1 = -346.0, r2 = -345.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 23 ASP CHI1:  (23 ASP N)-(23 ASP CA)-(23 ASP CB)-(23 ASP CG) -235.0 115.0
 &rst     iat =   307,   309,   311,   314,
	  r1 = -236.0, r2 = -235.0, r3 = 115.0, r4 = 116.0,
	&end

# 23 ASP PSI:  (23 ASP N)-(23 ASP CA)-(23 ASP C)-(24 LEU N) -225.0  -5.0
 &rst     iat =   307,   309,   317,   319,
	  r1 = -226.0, r2 = -225.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 23 ASP PSI:  (23 ASP N)-(23 ASP CA)-(23 ASP C)-(24 LEU N) -105.0 215.0
 &rst     iat =   307,   309,   317,   319,
	  r1 = -106.0, r2 = -105.0, r3 = 215.0, r4 = 216.0,
	&end

# 24 LEU PHI:  (23 ASP C)-(24 LEU N)-(24 LEU CA)-(24 LEU C)  25.0 325.0
 &rst     iat =   317,   319,   321,   336,
	  r1 =  24.0, r2 =  25.0, r3 = 325.0, r4 = 326.0,
	&end

# 24 LEU PHI:  (23 ASP C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -75.0  45.0
 &rst     iat =   317,   319,   321,   336,
	  r1 = -76.0, r2 = -75.0, r3 =  45.0, r4 =  46.0,
	&end

# 24 LEU CHI1:  (24 LEU N)-(24 LEU CA)-(24 LEU CB)-(24 LEU CG) -125.0 -25.0
 &rst     iat =   319,   321,   323,   326,
	  r1 = -126.0, r2 = -125.0, r3 = -25.0, r4 = -24.0,
	&end

# 24 LEU CHI2:  (24 LEU CA)-(24 LEU CB)-(24 LEU CG)-(24 LEU CD1) -305.0 -25.0
 &rst     iat =   321,   323,   326,   328,
	  r1 = -306.0, r2 = -305.0, r3 = -25.0, r4 = -24.0,
	&end

# 24 LEU CHI2:  (24 LEU CA)-(24 LEU CB)-(24 LEU CG)-(24 LEU CD1) -35.0 275.0
 &rst     iat =   321,   323,   326,   328,
	  r1 = -36.0, r2 = -35.0, r3 = 275.0, r4 = 276.0,
	&end

# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 ARG N) -335.0  -5.0
 &rst     iat =   319,   321,   336,   338,
	  r1 = -336.0, r2 = -335.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 25 ARG PHI:  (24 LEU C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -185.0 -35.0
 &rst     iat =   336,   338,   340,   360,
	  r1 = -186.0, r2 = -185.0, r3 = -35.0, r4 = -34.0,
	&end

# 25 ARG PHI:  (24 LEU C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -75.0 195.0
 &rst     iat =   336,   338,   340,   360,
	  r1 = -76.0, r2 = -75.0, r3 = 195.0, r4 = 196.0,
	&end

# 25 ARG CHI1:  (25 ARG N)-(25 ARG CA)-(25 ARG CB)-(25 ARG CG)  25.0 335.0
 &rst     iat =   338,   340,   342,   345,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 25 ARG CHI1:  (25 ARG N)-(25 ARG CA)-(25 ARG CB)-(25 ARG CG) -295.0  35.0
 &rst     iat =   338,   340,   342,   345,
	  r1 = -296.0, r2 = -295.0, r3 =  35.0, r4 =  36.0,
	&end

# 25 ARG CHI1:  (25 ARG N)-(25 ARG CA)-(25 ARG CB)-(25 ARG CG) -215.0  95.0
 &rst     iat =   338,   340,   342,   345,
	  r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
	&end

# 25 ARG CHI1:  (25 ARG N)-(25 ARG CA)-(25 ARG CB)-(25 ARG CG) -45.0 285.0
 &rst     iat =   338,   340,   342,   345,
	  r1 = -46.0, r2 = -45.0, r3 = 285.0, r4 = 286.0,
	&end

# 25 ARG CHI2:  (25 ARG CA)-(25 ARG CB)-(25 ARG CG)-(25 ARG CD)  15.0 345.0
 &rst     iat =   340,   342,   345,   348,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 HID N) -95.0   5.0
 &rst     iat =   338,   340,   360,   362,
	  r1 = -96.0, r2 = -95.0, r3 =   5.0, r4 =   6.0,
	&end

# 26 HIS PHI:  (25 ARG C)-(26 HID N)-(26 HID CA)-(26 HID C) -295.0 -25.0
 &rst     iat =   360,   362,   364,   377,
	  r1 = -296.0, r2 = -295.0, r3 = -25.0, r4 = -24.0,
	&end

# 26 HIS PHI:  (25 ARG C)-(26 HID N)-(26 HID CA)-(26 HID C) -185.0  75.0
 &rst     iat =   360,   362,   364,   377,
	  r1 = -186.0, r2 = -185.0, r3 =  75.0, r4 =  76.0,
	&end

# 26 HIS PSI:  (26 HID N)-(26 HID CA)-(26 HID C)-(27 TYR N) -135.0  -5.0
 &rst     iat =   362,   364,   377,   379,
	  r1 = -136.0, r2 = -135.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C)  25.0 315.0
 &rst     iat =   377,   379,   381,   398,
	  r1 =  24.0, r2 =  25.0, r3 = 315.0, r4 = 316.0,
	&end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -295.0  55.0
 &rst     iat =   377,   379,   381,   398,
	  r1 = -296.0, r2 = -295.0, r3 =  55.0, r4 =  56.0,
	&end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -195.0  85.0
 &rst     iat =   377,   379,   381,   398,
	  r1 = -196.0, r2 = -195.0, r3 =  85.0, r4 =  86.0,
	&end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -85.0 205.0
 &rst     iat =   377,   379,   381,   398,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 27 TYR PSI:  (27 TYR N)-(27 TYR CA)-(27 TYR C)-(28 ILE N) -95.0 105.0
 &rst     iat =   379,   381,   398,   400,
	  r1 = -96.0, r2 = -95.0, r3 = 105.0, r4 = 106.0,
	&end

# 28 ILE PHI:  (27 TYR C)-(28 ILE N)-(28 ILE CA)-(28 ILE C) -285.0 -45.0
 &rst     iat =   398,   400,   402,   417,
	  r1 = -286.0, r2 = -285.0, r3 = -45.0, r4 = -44.0,
	&end

# 28 ILE PHI:  (27 TYR C)-(28 ILE N)-(28 ILE CA)-(28 ILE C) -185.0  85.0
 &rst     iat =   398,   400,   402,   417,
	  r1 = -186.0, r2 = -185.0, r3 =  85.0, r4 =  86.0,
	&end

# 28 ILE PHI:  (27 TYR C)-(28 ILE N)-(28 ILE CA)-(28 ILE C) -85.0 205.0
 &rst     iat =   398,   400,   402,   417,
	  r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
	&end

# 28 ILE CHI1:  (28 ILE N)-(28 ILE CA)-(28 ILE CB)-(28 ILE CG1) -145.0 -105.0
 &rst     iat =   400,   402,   404,   410,
	  r1 = -146.0, r2 = -145.0, r3 = -105.0, r4 = -104.0,
	&end

# 28 ILE CHI21:  (28 ILE CA)-(28 ILE CB)-(28 ILE CG1)-(28 ILE CD1) -315.0 -35.0
 &rst     iat =   402,   404,   410,   413,
	  r1 = -316.0, r2 = -315.0, r3 = -35.0, r4 = -34.0,
	&end

# 28 ILE CHI21:  (28 ILE CA)-(28 ILE CB)-(28 ILE CG1)-(28 ILE CD1) -115.0 225.0
 &rst     iat =   402,   404,   410,   413,
	  r1 = -116.0, r2 = -115.0, r3 = 225.0, r4 = 226.0,
	&end

# 28 ILE PSI:  (28 ILE N)-(28 ILE CA)-(28 ILE C)-(29 ASN N) -65.0 -35.0
 &rst     iat =   400,   402,   417,   419,
	  r1 = -66.0, r2 = -65.0, r3 = -35.0, r4 = -34.0,
	&end

# 29 ASN PHI:  (28 ILE C)-(29 ASN N)-(29 ASN CA)-(29 ASN C) -195.0 -35.0
 &rst     iat =   417,   419,   421,   431,
	  r1 = -196.0, r2 = -195.0, r3 = -35.0, r4 = -34.0,
	&end

# 29 ASN PHI:  (28 ILE C)-(29 ASN N)-(29 ASN CA)-(29 ASN C) -75.0 195.0
 &rst     iat =   417,   419,   421,   431,
	  r1 = -76.0, r2 = -75.0, r3 = 195.0, r4 = 196.0,
	&end

# 29 ASN CHI1:  (29 ASN N)-(29 ASN CA)-(29 ASN CB)-(29 ASN CG)  25.0 335.0
 &rst     iat =   419,   421,   423,   426,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 29 ASN CHI1:  (29 ASN N)-(29 ASN CA)-(29 ASN CB)-(29 ASN CG) -215.0  85.0
 &rst     iat =   419,   421,   423,   426,
	  r1 = -216.0, r2 = -215.0, r3 =  85.0, r4 =  86.0,
	&end

# 29 ASN CHI2:  (29 ASN CA)-(29 ASN CB)-(29 ASN CG)-(29 ASN OD1) -155.0 155.0
 &rst     iat =   421,   423,   426,   427,
	  r1 = -156.0, r2 = -155.0, r3 = 155.0, r4 = 156.0,
	&end

# 29 ASN PSI:  (29 ASN N)-(29 ASN CA)-(29 ASN C)-(30 LEU N) -95.0  -5.0
 &rst     iat =   419,   421,   431,   433,
	  r1 = -96.0, r2 = -95.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 30 LEU PHI:  (29 ASN C)-(30 LEU N)-(30 LEU CA)-(30 LEU C)  25.0 315.0
 &rst     iat =   431,   433,   435,   450,
	  r1 =  24.0, r2 =  25.0, r3 = 315.0, r4 = 316.0,
	&end

# 30 LEU PHI:  (29 ASN C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -85.0  95.0
 &rst     iat =   431,   433,   435,   450,
	  r1 = -86.0, r2 = -85.0, r3 =  95.0, r4 =  96.0,
	&end

# 30 LEU CHI1:  (30 LEU N)-(30 LEU CA)-(30 LEU CB)-(30 LEU CG) -135.0  -5.0
 &rst     iat =   433,   435,   437,   440,
	  r1 = -136.0, r2 = -135.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 30 LEU CHI2:  (30 LEU CA)-(30 LEU CB)-(30 LEU CG)-(30 LEU CD1)  25.0 205.0
 &rst     iat =   435,   437,   440,   442,
	  r1 =  24.0, r2 =  25.0, r3 = 205.0, r4 = 206.0,
	&end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 ILE N) -105.0 115.0
 &rst     iat =   433,   435,   450,   452,
	  r1 = -106.0, r2 = -105.0, r3 = 115.0, r4 = 116.0,
	&end

# 31 ILE PHI:  (30 LEU C)-(31 ILE N)-(31 ILE CA)-(31 ILE C) -295.0 -25.0
 &rst     iat =   450,   452,   454,   469,
	  r1 = -296.0, r2 = -295.0, r3 = -25.0, r4 = -24.0,
	&end

# 31 ILE PHI:  (30 LEU C)-(31 ILE N)-(31 ILE CA)-(31 ILE C) -165.0  85.0
 &rst     iat =   450,   452,   454,   469,
	  r1 = -166.0, r2 = -165.0, r3 =  85.0, r4 =  86.0,
	&end

# 31 ILE CHI1:  (31 ILE N)-(31 ILE CA)-(31 ILE CB)-(31 ILE CG1) -215.0  65.0
 &rst     iat =   452,   454,   456,   462,
	  r1 = -216.0, r2 = -215.0, r3 =  65.0, r4 =  66.0,
	&end

# 31 ILE CHI1:  (31 ILE N)-(31 ILE CA)-(31 ILE CB)-(31 ILE CG1) -155.0 165.0
 &rst     iat =   452,   454,   456,   462,
	  r1 = -156.0, r2 = -155.0, r3 = 165.0, r4 = 166.0,
	&end

# 31 ILE CHI21:  (31 ILE CA)-(31 ILE CB)-(31 ILE CG1)-(31 ILE CD1)  15.0 345.0
 &rst     iat =   454,   456,   462,   465,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 31 ILE PSI:  (31 ILE N)-(31 ILE CA)-(31 ILE C)-(32 THR N) -135.0   5.0
 &rst     iat =   452,   454,   469,   471,
	  r1 = -136.0, r2 = -135.0, r3 =   5.0, r4 =   6.0,
	&end

# 32 THR PHI:  (31 ILE C)-(32 THR N)-(32 THR CA)-(32 THR C) -285.0 -25.0
 &rst     iat =   469,   471,   473,   483,
	  r1 = -286.0, r2 = -285.0, r3 = -25.0, r4 = -24.0,
	&end

# 32 THR PHI:  (31 ILE C)-(32 THR N)-(32 THR CA)-(32 THR C) -195.0  85.0
 &rst     iat =   469,   471,   473,   483,
	  r1 = -196.0, r2 = -195.0, r3 =  85.0, r4 =  86.0,
	&end

# 32 THR CHI1:  (32 THR N)-(32 THR CA)-(32 THR CB)-(32 THR OG1)  15.0 235.0
 &rst     iat =   471,   473,   475,   481,
	  r1 =  14.0, r2 =  15.0, r3 = 235.0, r4 = 236.0,
	&end

# 32 THR CHI1:  (32 THR N)-(32 THR CA)-(32 THR CB)-(32 THR OG1) -235.0  95.0
 &rst     iat =   471,   473,   475,   481,
	  r1 = -236.0, r2 = -235.0, r3 =  95.0, r4 =  96.0,
	&end

# 32 THR CHI21:  (32 THR CA)-(32 THR CB)-(32 THR CG2)-(32 THR 1HG2)  15.0 345.0
 &rst     iat =   473,   475,   477,   478,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 32 THR CHI21:  (32 THR CA)-(32 THR CB)-(32 THR CG2)-(32 THR 1HG2) -105.0 225.0
 &rst     iat =   473,   475,   477,   478,
	  r1 = -106.0, r2 = -105.0, r3 = 225.0, r4 = 226.0,
	&end

# 32 THR PSI:  (32 THR N)-(32 THR CA)-(32 THR C)-(33 ARG N) -115.0  -5.0
 &rst     iat =   471,   473,   483,   485,
	  r1 = -116.0, r2 = -115.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 33 ARG PHI:  (32 THR C)-(33 ARG N)-(33 ARG CA)-(33 ARG C)  25.0 305.0
 &rst     iat =   483,   485,   487,   507,
	  r1 =  24.0, r2 =  25.0, r3 = 305.0, r4 = 306.0,
	&end

# 33 ARG PHI:  (32 THR C)-(33 ARG N)-(33 ARG CA)-(33 ARG C) -185.0  95.0
 &rst     iat =   483,   485,   487,   507,
	  r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
	&end

# 33 ARG PHI:  (32 THR C)-(33 ARG N)-(33 ARG CA)-(33 ARG C) -85.0 215.0
 &rst     iat =   483,   485,   487,   507,
	  r1 = -86.0, r2 = -85.0, r3 = 215.0, r4 = 216.0,
	&end

# 33 ARG CHI1:  (33 ARG N)-(33 ARG CA)-(33 ARG CB)-(33 ARG CG) -215.0 105.0
 &rst     iat =   485,   487,   489,   492,
	  r1 = -216.0, r2 = -215.0, r3 = 105.0, r4 = 106.0,
	&end

# 33 ARG CHI2:  (33 ARG CA)-(33 ARG CB)-(33 ARG CG)-(33 ARG CD)  15.0 345.0
 &rst     iat =   487,   489,   492,   495,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 33 ARG PSI:  (33 ARG N)-(33 ARG CA)-(33 ARG C)-(34 GLN N)   5.0 215.0
 &rst     iat =   485,   487,   507,   509,
	  r1 =   4.0, r2 =   5.0, r3 = 215.0, r4 = 216.0,
	&end

# 34 GLN PHI:  (33 ARG C)-(34 GLN N)-(34 GLN CA)-(34 GLN C)  25.0 305.0
 &rst     iat =   507,   509,   511,   524,
	  r1 =  24.0, r2 =  25.0, r3 = 305.0, r4 = 306.0,
	&end

# 34 GLN PHI:  (33 ARG C)-(34 GLN N)-(34 GLN CA)-(34 GLN C) -185.0  95.0
 &rst     iat =   507,   509,   511,   524,
	  r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
	&end

# 34 GLN PHI:  (33 ARG C)-(34 GLN N)-(34 GLN CA)-(34 GLN C) -85.0 215.0
 &rst     iat =   507,   509,   511,   524,
	  r1 = -86.0, r2 = -85.0, r3 = 215.0, r4 = 216.0,
	&end

# 34 GLN CHI1:  (34 GLN N)-(34 GLN CA)-(34 GLN CB)-(34 GLN CG) -225.0 115.0
 &rst     iat =   509,   511,   513,   516,
	  r1 = -226.0, r2 = -225.0, r3 = 115.0, r4 = 116.0,
	&end

# 34 GLN CHI2:  (34 GLN CA)-(34 GLN CB)-(34 GLN CG)-(34 GLN CD)  15.0 345.0
 &rst     iat =   511,   513,   516,   519,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 34 GLN PSI:  (34 GLN N)-(34 GLN CA)-(34 GLN C)-(35 ARG N) -125.0 135.0
 &rst     iat =   509,   511,   524,   526,
	  r1 = -126.0, r2 = -125.0, r3 = 135.0, r4 = 136.0,
	&end

# 35 ARG PHI:  (34 GLN C)-(35 ARG N)-(35 ARG CA)-(35 ARG C) -185.0 -35.0
 &rst     iat =   524,   526,   528,   548,
	  r1 = -186.0, r2 = -185.0, r3 = -35.0, r4 = -34.0,
	&end

# 35 ARG CHI1:  (35 ARG N)-(35 ARG CA)-(35 ARG CB)-(35 ARG CG)   5.0 345.0
 &rst     iat =   526,   528,   530,   533,
	  r1 =   4.0, r2 =   5.0, r3 = 345.0, r4 = 346.0,
	&end

# 35 ARG CHI1:  (35 ARG N)-(35 ARG CA)-(35 ARG CB)-(35 ARG CG) -175.0  95.0
 &rst     iat =   526,   528,   530,   533,
	  r1 = -176.0, r2 = -175.0, r3 =  95.0, r4 =  96.0,
	&end

# 35 ARG CHI2:  (35 ARG CA)-(35 ARG CB)-(35 ARG CG)-(35 ARG CD)  15.0 345.0
 &rst     iat =   528,   530,   533,   536,
	  r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
	&end

# 35 ARG PSI:  (35 ARG N)-(35 ARG CA)-(35 ARG C)-(36 TYR N) -245.0  -5.0
 &rst     iat =   526,   528,   548,   550,
	  r1 = -246.0, r2 = -245.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 35 ARG PSI:  (35 ARG N)-(35 ARG CA)-(35 ARG C)-(36 TYR N) -25.0 225.0
 &rst     iat =   526,   528,   548,   550,
	  r1 = -26.0, r2 = -25.0, r3 = 225.0, r4 = 226.0,
	&end

# 36 TYR PHI:  (35 ARG C)-(36 TYR N)-(36 TYR CA)-(36 TYR C)  25.0 335.0
 &rst     iat =   548,   550,   552,   569,
	  r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
	&end

# 36 TYR PHI:  (35 ARG C)-(36 TYR N)-(36 TYR CA)-(36 TYR C) -185.0  45.0
 &rst     iat =   548,   550,   552,   569,
	  r1 = -186.0, r2 = -185.0, r3 =  45.0, r4 =  46.0,
	&end

# 36 TYR CHI1:  (36 TYR N)-(36 TYR CA)-(36 TYR CB)-(36 TYR CG)  15.0 105.0
 &rst     iat =   550,   552,   554,   557,
	  r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
	&end

# 36 TYR CHI2:  (36 TYR CA)-(36 TYR CB)-(36 TYR CG)-(36 TYR CD1)  15.0 335.0
 &rst     iat =   552,   554,   557,   558,
	  r1 =  14.0, r2 =  15.0, r3 = 335.0, r4 = 336.0,
	&end

# 36 TYR CHI2:  (36 TYR CA)-(36 TYR CB)-(36 TYR CG)-(36 TYR CD1) -165.0 155.0
 &rst     iat =   552,   554,   557,   558,
	  r1 = -166.0, r2 = -165.0, r3 = 155.0, r4 = 156.0,
	&end

# 36 TYR PSI:  (36 TYR N)-(36 TYR CA)-(36 TYR C)-(37 NHE N) -85.0 215.0
 &rst     iat =   550,   552,   569,   571,
	  r1 = -86.0, r2 = -85.0, r3 = 215.0, r4 = 216.0,
	&end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1  19.251  10.491 -11.203
    2   2H    TYR   1          2H        TYR   1  20.021   9.539 -12.302
    3   3H    TYR   1          3H        TYR   1  19.519   8.907 -10.866
    4    HA   TYR   1           HA       TYR   1  21.497   9.306 -10.016
    5   1HB   TYR   1          1HB       TYR   1  21.927  10.775 -12.635
    6   2HB   TYR   1          2HB       TYR   1  23.170  10.667 -11.397
    7    HD1  TYR   1           HD1      TYR   1  24.235   8.583 -10.768
    8    HD2  TYR   1           HD2      TYR   1  21.355   8.747 -13.990
    9    HE1  TYR   1           HE1      TYR   1  25.014   6.367 -11.594
   10    HE2  TYR   1           HE2      TYR   1  22.136   6.526 -14.783
   11    HH   TYR   1           HH       TYR   1  24.284   5.129 -14.634
   12    HA   PRO   2           HA       PRO   2  20.248  13.495  -8.503
   13   1HB   PRO   2          1HB       PRO   2  19.133  12.800  -6.074
   14   2HB   PRO   2          2HB       PRO   2  18.222  12.969  -7.595
   15   1HG   PRO   2          1HG       PRO   2  19.035  10.474  -6.173
   16   2HG   PRO   2          2HG       PRO   2  17.632  10.778  -7.238
   17   1HD   PRO   2          1HD       PRO   2  20.109   9.525  -7.938
   18   2HD   PRO   2          2HD       PRO   2  18.777  10.004  -9.030
   19    H    SER   3           H        SER   3  20.907  14.344  -6.273
   20    HA   SER   3           HA       SER   3  23.422  13.094  -5.238
   21   1HB   SER   3          1HB       SER   3  24.191  15.514  -4.960
   22   2HB   SER   3          2HB       SER   3  24.101  14.909  -6.623
   23    HG   SER   3           HG       SER   3  22.684  16.944  -5.461
   24    H    LYS   4           H        LYS   4  20.892  15.467  -4.538
   25    HA   LYS   4           HA       LYS   4  20.295  14.473  -1.892
   26   1HB   LYS   4          1HB       LYS   4  21.040  16.408  -0.593
   27   2HB   LYS   4          2HB       LYS   4  22.367  15.509  -1.304
   28   1HG   LYS   4          1HG       LYS   4  22.234  17.354  -3.221
   29   2HG   LYS   4          2HG       LYS   4  21.357  18.263  -1.999
   30   1HD   LYS   4          1HD       LYS   4  23.718  17.274  -0.702
   31   2HD   LYS   4          2HD       LYS   4  24.206  17.798  -2.310
   32   1HE   LYS   4          1HE       LYS   4  24.322  19.871  -1.395
   33   2HE   LYS   4          2HE       LYS   4  22.576  19.883  -1.649
   34   1HZ   LYS   4          1HZ       LYS   4  22.428  18.922   0.678
   35   2HZ   LYS   4          2HZ       LYS   4  24.017  19.297   0.856
   36   3HZ   LYS   4          3HZ       LYS   4  22.895  20.473   0.608
   37    HA   PRO   5           HA       PRO   5  16.919  16.900  -3.900
   38   1HB   PRO   5          1HB       PRO   5  14.896  15.071  -3.481
   39   2HB   PRO   5          2HB       PRO   5  15.961  15.082  -4.915
   40   1HG   PRO   5          1HG       PRO   5  16.018  13.255  -2.549
   41   2HG   PRO   5          2HG       PRO   5  16.519  12.943  -4.239
   42   1HD   PRO   5          1HD       PRO   5  18.199  13.569  -2.038
   43   2HD   PRO   5          2HD       PRO   5  18.682  13.543  -3.759
   44    H    ASP   6           H        ASP   6  15.384  18.135  -2.805
   45    HA   ASP   6           HA       ASP   6  14.306  17.569  -0.221
   46   1HB   ASP   6          1HB       ASP   6  16.857  18.475   0.090
   47   2HB   ASP   6          2HB       ASP   6  16.071  20.021  -0.122
   48    H    ASN   7           H        ASN   7  12.310  18.571  -0.385
   49    HA   ASN   7           HA       ASN   7  12.101  21.322  -1.025
   50   1HB   ASN   7          1HB       ASN   7  12.043  19.791  -3.331
   51   2HB   ASN   7          2HB       ASN   7  10.329  19.824  -2.928
   52   1HD2  ASN   7          1HD2      ASN   7   9.264  22.026  -2.779
   53   2HD2  ASN   7          2HD2      ASN   7  10.121  23.313  -3.670
   54    HA   PRO   8           HA       PRO   8   8.340  20.151   1.325
   55   1HB   PRO   8          1HB       PRO   8   7.304  22.647   1.798
   56   2HB   PRO   8          2HB       PRO   8   8.709  21.984   2.683
   57   1HG   PRO   8          1HG       PRO   8   8.664  24.017   0.468
   58   2HG   PRO   8          2HG       PRO   8   9.774  23.880   1.872
   59   1HD   PRO   8          1HD       PRO   8  10.266  22.999  -0.774
   60   2HD   PRO   8          2HD       PRO   8  11.229  22.574   0.671
   61    H    GLY   9           H        GLY   9   5.990  20.547   1.103
   62   1HA   GLY   9          1HA       GLY   9   3.986  20.764   0.007
   63   2HA   GLY   9          2HA       GLY   9   4.790  21.738  -1.229
   64    H    GLU  10           H        GLU  10   3.888  18.437  -0.249
   65    HA   GLU  10           HA       GLU  10   3.711  17.486  -2.938
   66   1HB   GLU  10          1HB       GLU  10   6.297  17.178  -1.569
   67   2HB   GLU  10          2HB       GLU  10   5.581  15.605  -1.905
   68   1HG   GLU  10          1HG       GLU  10   5.519  15.940  -4.224
   69   2HG   GLU  10          2HG       GLU  10   5.637  17.682  -4.105
   70    H    ASP  11           H        ASP  11   1.850  16.433  -2.701
   71    HA   ASP  11           HA       ASP  11   0.969  15.134  -0.273
   72   1HB   ASP  11          1HB       ASP  11  -0.302  16.271  -2.360
   73   2HB   ASP  11          2HB       ASP  11  -0.324  14.634  -2.962
   74    H    ALA  12           H        ALA  12   2.972  13.900  -0.028
   75    HA   ALA  12           HA       ALA  12   3.711  11.783  -1.781
   76   1HB   ALA  12          1HB       ALA  12   4.228  11.922   1.222
   77   2HB   ALA  12          2HB       ALA  12   5.194  11.074  -0.002
   78   3HB   ALA  12          3HB       ALA  12   5.149  12.844   0.009
   79    HA   PRO  13           HA       PRO  13   0.715   8.689  -0.557
   80   1HB   PRO  13          1HB       PRO  13   2.034   6.326  -1.108
   81   2HB   PRO  13          2HB       PRO  13   1.306   7.392  -2.339
   82   1HG   PRO  13          1HG       PRO  13   4.193   7.049  -1.632
   83   2HG   PRO  13          2HG       PRO  13   3.449   7.503  -3.193
   84   1HD   PRO  13          1HD       PRO  13   4.630   9.239  -1.265
   85   2HD   PRO  13          2HD       PRO  13   3.678   9.728  -2.697
   86    H    ALA  14           H        ALA  14   0.612   6.665   0.827
   87    HA   ALA  14           HA       ALA  14   0.964   5.436   2.680
   88   1HB   ALA  14          1HB       ALA  14   3.276   7.089   3.676
   89   2HB   ALA  14          2HB       ALA  14   2.914   5.376   3.946
   90   3HB   ALA  14          3HB       ALA  14   3.480   5.917   2.355
   91    H    GLU  15           H        GLU  15  -0.513   8.056   2.416
   92    HA   GLU  15           HA       GLU  15  -0.903   8.739   5.263
   93   1HB   GLU  15          1HB       GLU  15  -0.871  10.209   2.730
   94   2HB   GLU  15          2HB       GLU  15  -2.409  10.432   3.511
   95   1HG   GLU  15          1HG       GLU  15  -1.303  12.145   4.512
   96   2HG   GLU  15          2HG       GLU  15  -0.947  10.893   5.690
   97    H    ASP  16           H        ASP  16  -2.248   6.651   3.346
   98    HA   ASP  16           HA       ASP  16  -4.563   6.016   4.822
   99   1HB   ASP  16          1HB       ASP  16  -5.149   8.216   3.095
  100   2HB   ASP  16          2HB       ASP  16  -5.793   6.825   2.270
  101    H    LEU  17           H        LEU  17  -3.351   6.088   1.455
  102    HA   LEU  17           HA       LEU  17  -4.295   3.573   0.602
  103   1HB   LEU  17          1HB       LEU  17  -3.449   5.072  -1.050
  104   2HB   LEU  17          2HB       LEU  17  -1.887   5.212  -0.224
  105    HG   LEU  17           HG       LEU  17  -1.312   2.908  -0.801
  106   1HD1  LEU  17          1HD1      LEU  17  -3.621   1.915  -0.965
  107   2HD1  LEU  17          2HD1      LEU  17  -3.851   2.785  -2.481
  108   3HD1  LEU  17          3HD1      LEU  17  -2.582   1.538  -2.333
  109   1HD2  LEU  17          1HD2      LEU  17  -2.086   3.905  -3.485
  110   2HD2  LEU  17          2HD2      LEU  17  -1.184   5.041  -2.473
  111   3HD2  LEU  17          3HD2      LEU  17  -0.507   3.440  -2.821
  112    H    ALA  18           H        ALA  18  -1.303   4.281   2.497
  113    HA   ALA  18           HA       ALA  18  -0.191   1.678   2.404
  114   1HB   ALA  18          1HB       ALA  18  -0.255   3.711   4.677
  115   2HB   ALA  18          2HB       ALA  18   0.731   2.228   4.671
  116   3HB   ALA  18          3HB       ALA  18   1.030   3.469   3.459
  117    H    GLN  19           H        GLN  19  -2.951   2.908   4.359
  118    HA   GLN  19           HA       GLN  19  -3.216   0.469   5.887
  119   1HB   GLN  19          1HB       GLN  19  -4.266   3.002   6.179
  120   2HB   GLN  19          2HB       GLN  19  -5.639   2.158   5.443
  121   1HG   GLN  19          1HG       GLN  19  -5.036   0.285   7.249
  122   2HG   GLN  19          2HG       GLN  19  -4.224   1.626   8.062
  123   1HE2  GLN  19          1HE2      GLN  19  -6.928  -0.108   8.376
  124   2HE2  GLN  19          2HE2      GLN  19  -7.973   1.218   8.901
  125    H    TYR  20           H        TYR  20  -4.788   1.774   2.941
  126    HA   TYR  20           HA       TYR  20  -6.621  -0.393   2.536
  127   1HB   TYR  20          1HB       TYR  20  -6.759   1.836   1.472
  128   2HB   TYR  20          2HB       TYR  20  -5.310   1.503   0.557
  129    HD1  TYR  20           HD1      TYR  20  -8.552  -0.358   1.186
  130    HD2  TYR  20           HD2      TYR  20  -5.693   1.089  -1.707
  131    HE1  TYR  20           HE1      TYR  20  -9.965  -1.232  -0.652
  132    HE2  TYR  20           HE2      TYR  20  -7.107   0.185  -3.546
  133    HH   TYR  20           HH       TYR  20 -10.323  -1.163  -2.962
  134    H    ALA  21           H        ALA  21  -3.438   0.231   1.049
  135    HA   ALA  21           HA       ALA  21  -3.253  -2.168  -0.479
  136   1HB   ALA  21          1HB       ALA  21  -0.836  -0.771   0.711
  137   2HB   ALA  21          2HB       ALA  21  -1.024  -1.538  -0.880
  138   3HB   ALA  21          3HB       ALA  21  -1.801   0.019  -0.551
  139    H    ALA  22           H        ALA  22  -2.501  -1.438   2.913
  140    HA   ALA  22           HA       ALA  22  -1.216  -3.974   3.510
  141   1HB   ALA  22          1HB       ALA  22  -0.705  -1.999   4.859
  142   2HB   ALA  22          2HB       ALA  22  -2.410  -1.882   5.371
  143   3HB   ALA  22          3HB       ALA  22  -1.418  -3.273   5.858
  144    H    ASP  23           H        ASP  23  -4.549  -2.636   4.141
  145    HA   ASP  23           HA       ASP  23  -5.666  -4.939   5.315
  146   1HB   ASP  23          1HB       ASP  23  -6.643  -2.447   4.358
  147   2HB   ASP  23          2HB       ASP  23  -7.469  -3.626   3.376
  148    H    LEU  24           H        LEU  24  -5.316  -4.077   1.852
  149    HA   LEU  24           HA       LEU  24  -6.447  -6.603   0.936
  150   1HB   LEU  24          1HB       LEU  24  -4.633  -4.646  -0.534
  151   2HB   LEU  24          2HB       LEU  24  -5.433  -6.044  -1.253
  152    HG   LEU  24           HG       LEU  24  -6.652  -3.462  -0.277
  153   1HD1  LEU  24          1HD1      LEU  24  -7.215  -3.128  -2.435
  154   2HD1  LEU  24          2HD1      LEU  24  -5.917  -4.278  -2.774
  155   3HD1  LEU  24          3HD1      LEU  24  -7.605  -4.828  -2.738
  156   1HD2  LEU  24          1HD2      LEU  24  -8.116  -5.018   0.806
  157   2HD2  LEU  24          2HD2      LEU  24  -8.931  -4.472  -0.665
  158   3HD2  LEU  24          3HD2      LEU  24  -8.162  -6.076  -0.627
  159    H    ARG  25           H        ARG  25  -3.021  -5.580   1.372
  160    HA   ARG  25           HA       ARG  25  -1.893  -8.121   0.745
  161   1HB   ARG  25          1HB       ARG  25  -0.983  -5.603   2.023
  162   2HB   ARG  25          2HB       ARG  25  -0.214  -6.979   2.722
  163   1HG   ARG  25          1HG       ARG  25  -0.333  -7.088  -0.264
  164   2HG   ARG  25          2HG       ARG  25   0.557  -5.703   0.361
  165   1HD   ARG  25          1HD       ARG  25   2.167  -6.966   1.392
  166   2HD   ARG  25          2HD       ARG  25   1.119  -8.373   1.634
  167    HE   ARG  25           HE       ARG  25   1.309  -8.358  -1.051
  168   1HH1  ARG  25          1HH1      ARG  25   3.794  -8.190   1.374
  169   2HH1  ARG  25          2HH1      ARG  25   4.969  -9.056   0.417
  170   1HH2  ARG  25          1HH2      ARG  25   2.803  -9.502  -2.258
  171   2HH2  ARG  25          2HH2      ARG  25   4.391  -9.782  -1.624
  172    H    HIS  26           H        HIS  26  -3.373  -7.072   3.738
  173    HA   HIS  26           HA       HIS  26  -2.557  -9.355   5.304
  174   1HB   HIS  26          1HB       HIS  26  -3.147  -7.124   6.239
  175   2HB   HIS  26          2HB       HIS  26  -4.801  -7.343   5.712
  176    HD2  HIS  26           HD2      HIS  26  -6.287  -9.260   7.041
  177    HE1  HIS  26           HE1      HIS  26  -3.629  -9.664  10.327
  178    H    TYR  27           H        TYR  27  -5.657  -8.403   3.738
  179    HA   TYR  27           HA       TYR  27  -7.085 -10.761   4.326
  180   1HB   TYR  27          1HB       TYR  27  -7.633  -8.381   3.045
  181   2HB   TYR  27          2HB       TYR  27  -7.640  -9.470   1.684
  182    HD1  TYR  27           HD1      TYR  27  -8.846 -11.920   3.382
  183    HD2  TYR  27           HD2      TYR  27  -9.869  -7.744   2.913
  184    HE1  TYR  27           HE1      TYR  27 -11.221 -12.429   3.913
  185    HE2  TYR  27           HE2      TYR  27 -12.242  -8.267   3.412
  186    HH   TYR  27           HH       TYR  27 -13.778 -10.115   3.446
  187    H    ILE  28           H        ILE  28  -5.105  -9.932   1.427
  188    HA   ILE  28           HA       ILE  28  -5.450 -12.461   0.181
  189    HB   ILE  28           HB       ILE  28  -4.211 -10.094  -0.476
  190   2HG1  ILE  28          2HG1      ILE  28  -5.494 -11.904  -1.840
  191   1HG2  ILE  28          1HG2      ILE  28  -2.039 -10.681   0.411
  192   2HG2  ILE  28          2HG2      ILE  28  -2.020 -12.194  -0.528
  193   3HG2  ILE  28          3HG2      ILE  28  -1.974 -10.622  -1.345
  194   1HD1  ILE  28          1HD1      ILE  28  -3.295 -10.370  -3.251
  195   2HD1  ILE  28          2HD1      ILE  28  -4.857 -10.913  -3.907
  196   3HD1  ILE  28          3HD1      ILE  28  -4.812  -9.645  -2.671
  197    H    ASN  29           H        ASN  29  -2.779 -11.370   2.357
  198    HA   ASN  29           HA       ASN  29  -1.435 -13.834   2.444
  199   1HB   ASN  29          1HB       ASN  29  -1.355 -11.398   4.013
  200   2HB   ASN  29          2HB       ASN  29  -1.308 -12.744   5.094
  201   1HD2  ASN  29          1HD2      ASN  29   0.815 -13.238   5.602
  202   2HD2  ASN  29          2HD2      ASN  29   2.108 -13.172   4.376
  203    H    LEU  30           H        LEU  30  -4.414 -12.990   4.039
  204    HA   LEU  30           HA       LEU  30  -4.547 -15.392   5.674
  205   1HB   LEU  30          1HB       LEU  30  -6.266 -13.033   5.072
  206   2HB   LEU  30          2HB       LEU  30  -7.163 -14.511   5.403
  207    HG   LEU  30           HG       LEU  30  -4.960 -13.451   7.220
  208   1HD1  LEU  30          1HD1      LEU  30  -6.855 -12.622   8.647
  209   2HD1  LEU  30          2HD1      LEU  30  -6.668 -11.749   7.120
  210   3HD1  LEU  30          3HD1      LEU  30  -7.963 -12.951   7.293
  211   1HD2  LEU  30          1HD2      LEU  30  -5.678 -15.912   7.406
  212   2HD2  LEU  30          2HD2      LEU  30  -5.879 -14.946   8.869
  213   3HD2  LEU  30          3HD2      LEU  30  -7.291 -15.321   7.846
  214    H    ILE  31           H        ILE  31  -6.362 -14.395   2.726
  215    HA   ILE  31           HA       ILE  31  -7.520 -16.950   2.252
  216    HB   ILE  31           HB       ILE  31  -6.909 -14.642   0.399
  217   2HG1  ILE  31          2HG1      ILE  31  -8.812 -14.837   2.389
  218   1HG2  ILE  31          1HG2      ILE  31  -7.005 -16.455  -1.139
  219   2HG2  ILE  31          2HG2      ILE  31  -8.301 -17.269  -0.225
  220   3HG2  ILE  31          3HG2      ILE  31  -8.647 -15.779  -1.137
  221   1HD1  ILE  31          1HD1      ILE  31  -9.243 -13.475  -0.303
  222   2HD1  ILE  31          2HD1      ILE  31 -10.054 -13.090   1.232
  223   3HD1  ILE  31          3HD1      ILE  31  -8.316 -12.811   1.053
  224    H    THR  32           H        THR  32  -4.340 -15.711   1.135
  225    HA   THR  32           HA       THR  32  -3.615 -17.722  -0.679
  226    HB   THR  32           HB       THR  32  -1.252 -17.300   0.090
  227    HG1  THR  32           HG1      THR  32  -1.675 -16.729   2.275
  228   1HG2  THR  32          1HG2      THR  32  -3.120 -15.245  -0.962
  229   2HG2  THR  32          2HG2      THR  32  -1.617 -14.613  -0.279
  230   3HG2  THR  32          3HG2      THR  32  -1.557 -15.811  -1.583
  231    H    ARG  33           H        ARG  33  -3.473 -17.835   2.895
  232    HA   ARG  33           HA       ARG  33  -2.409 -20.580   2.732
  233   1HB   ARG  33          1HB       ARG  33  -1.639 -18.605   4.396
  234   2HB   ARG  33          2HB       ARG  33  -2.970 -19.246   5.365
  235   1HG   ARG  33          1HG       ARG  33  -1.700 -21.574   4.536
  236   2HG   ARG  33          2HG       ARG  33  -0.335 -20.470   4.584
  237   1HD   ARG  33          1HD       ARG  33  -0.430 -20.278   6.921
  238   2HD   ARG  33          2HD       ARG  33  -2.174 -20.564   6.966
  239    HE   ARG  33           HE       ARG  33  -1.866 -22.798   7.107
  240   1HH1  ARG  33          1HH1      ARG  33   1.219 -21.550   5.994
  241   2HH1  ARG  33          2HH1      ARG  33   1.977 -23.112   6.003
  242   1HH2  ARG  33          1HH2      ARG  33  -0.885 -24.783   7.020
  243   2HH2  ARG  33          2HH2      ARG  33   0.801 -24.908   6.587
  244    H    GLN  34           H        GLN  34  -5.226 -19.777   2.034
  245    HA   GLN  34           HA       GLN  34  -6.677 -21.864   3.625
  246   1HB   GLN  34          1HB       GLN  34  -7.650 -19.054   3.000
  247   2HB   GLN  34          2HB       GLN  34  -8.653 -20.325   3.682
  248   1HG   GLN  34          1HG       GLN  34  -6.225 -19.059   5.001
  249   2HG   GLN  34          2HG       GLN  34  -7.910 -18.747   5.399
  250   1HE2  GLN  34          1HE2      GLN  34  -5.540 -19.865   6.992
  251   2HE2  GLN  34          2HE2      GLN  34  -6.218 -21.369   7.632
  252    H    ARG  35           H        ARG  35  -6.476 -20.044   0.590
  253    HA   ARG  35           HA       ARG  35  -8.681 -21.285  -0.713
  254   1HB   ARG  35          1HB       ARG  35  -7.228 -19.076  -1.218
  255   2HB   ARG  35          2HB       ARG  35  -6.332 -20.140  -2.279
  256   1HG   ARG  35          1HG       ARG  35  -8.677 -20.783  -3.262
  257   2HG   ARG  35          2HG       ARG  35  -9.311 -19.462  -2.272
  258   1HD   ARG  35          1HD       ARG  35  -7.621 -17.930  -3.487
  259   2HD   ARG  35          2HD       ARG  35  -7.325 -19.280  -4.575
  260    HE   ARG  35           HE       ARG  35  -9.322 -18.882  -5.642
  261   1HH1  ARG  35          1HH1      ARG  35  -9.408 -17.158  -2.624
  262   2HH1  ARG  35          2HH1      ARG  35 -10.875 -16.284  -2.999
  263   1HH2  ARG  35          1HH2      ARG  35 -11.230 -17.784  -6.116
  264   2HH2  ARG  35          2HH2      ARG  35 -11.810 -16.561  -5.036
  265    H    TYR  36           H        TYR  36  -6.844 -21.833  -3.178
  266    HA   TYR  36           HA       TYR  36  -6.671 -24.606  -3.289
  267   1HB   TYR  36          1HB       TYR  36  -5.190 -24.240  -5.142
  268   2HB   TYR  36          2HB       TYR  36  -6.359 -22.936  -5.148
  269    HD1  TYR  36           HD1      TYR  36  -2.840 -23.849  -4.473
  270    HD2  TYR  36           HD2      TYR  36  -5.655 -20.601  -4.759
  271    HE1  TYR  36           HE1      TYR  36  -0.983 -22.218  -4.240
  272    HE2  TYR  36           HE2      TYR  36  -3.779 -18.963  -4.506
  273    HH   TYR  36           HH       TYR  36  -0.422 -20.001  -4.055
  274   1HN   NH2  37          1HN       NH2  37  -4.331 -22.372  -1.658
  275   2HN   NH2  37          2HN       NH2  37  -3.379 -23.703  -1.029
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1 -14.808  25.455 -17.056
    2   2H    TYR   1          2H        TYR   1 -15.248  24.035 -17.772
    3   3H    TYR   1          3H        TYR   1 -15.480  24.242 -16.159
    4    HA   TYR   1           HA       TYR   1 -12.863  24.103 -17.479
    5   1HB   TYR   1          1HB       TYR   1 -11.973  24.075 -15.142
    6   2HB   TYR   1          2HB       TYR   1 -12.710  25.595 -15.608
    7    HD1  TYR   1           HD1      TYR   1 -14.585  26.510 -14.372
    8    HD2  TYR   1           HD2      TYR   1 -13.267  22.446 -13.650
    9    HE1  TYR   1           HE1      TYR   1 -16.073  26.369 -12.392
   10    HE2  TYR   1           HE2      TYR   1 -14.774  22.328 -11.674
   11    HH   TYR   1           HH       TYR   1 -16.335  25.127 -10.343
   12    HA   PRO   2           HA       PRO   2 -13.405  19.718 -16.954
   13   1HB   PRO   2          1HB       PRO   2 -10.771  18.859 -16.753
   14   2HB   PRO   2          2HB       PRO   2 -11.595  19.289 -18.273
   15   1HG   PRO   2          1HG       PRO   2  -9.553  20.844 -16.758
   16   2HG   PRO   2          2HG       PRO   2  -9.956  20.885 -18.495
   17   1HD   PRO   2          1HD       PRO   2 -10.765  22.723 -16.475
   18   2HD   PRO   2          2HD       PRO   2 -11.356  22.663 -18.157
   19    H    SER   3           H        SER   3 -13.810  18.381 -15.253
   20    HA   SER   3           HA       SER   3 -13.471  19.163 -12.553
   21   1HB   SER   3          1HB       SER   3 -15.218  17.590 -13.251
   22   2HB   SER   3          2HB       SER   3 -13.990  16.406 -13.749
   23    HG   SER   3           HG       SER   3 -14.736  17.182 -11.146
   24    H    LYS   4           H        LYS   4 -11.696  16.699 -14.392
   25    HA   LYS   4           HA       LYS   4  -9.717  15.566 -14.078
   26   1HB   LYS   4          1HB       LYS   4  -9.051  18.293 -13.017
   27   2HB   LYS   4          2HB       LYS   4  -7.872  17.018 -12.881
   28   1HG   LYS   4          1HG       LYS   4  -9.168  17.466 -15.589
   29   2HG   LYS   4          2HG       LYS   4  -8.020  18.656 -14.996
   30   1HD   LYS   4          1HD       LYS   4  -6.457  17.358 -15.981
   31   2HD   LYS   4          2HD       LYS   4  -6.551  16.420 -14.508
   32   1HE   LYS   4          1HE       LYS   4  -6.866  14.677 -15.920
   33   2HE   LYS   4          2HE       LYS   4  -8.550  15.207 -15.873
   34   1HZ   LYS   4          1HZ       LYS   4  -7.944  14.982 -18.147
   35   2HZ   LYS   4          2HZ       LYS   4  -7.937  16.602 -17.885
   36   3HZ   LYS   4          3HZ       LYS   4  -6.529  15.772 -17.969
   37    HA   PRO   5           HA       PRO   5 -10.830  14.136  -9.845
   38   1HB   PRO   5          1HB       PRO   5 -11.553  11.572 -10.487
   39   2HB   PRO   5          2HB       PRO   5 -12.644  12.969 -10.605
   40   1HG   PRO   5          1HG       PRO   5 -11.196  11.537 -12.812
   41   2HG   PRO   5          2HG       PRO   5 -12.809  12.309 -12.821
   42   1HD   PRO   5          1HD       PRO   5 -10.391  13.419 -13.778
   43   2HD   PRO   5          2HD       PRO   5 -11.915  14.316 -13.477
   44    H    ASP   6           H        ASP   6  -8.411  14.716 -10.280
   45    HA   ASP   6           HA       ASP   6  -6.763  12.318  -9.674
   46   1HB   ASP   6          1HB       ASP   6  -6.505  13.321 -12.080
   47   2HB   ASP   6          2HB       ASP   6  -5.672  14.652 -11.285
   48    H    ASN   7           H        ASN   7  -6.693  12.628  -7.490
   49    HA   ASN   7           HA       ASN   7  -4.976  14.738  -6.585
   50   1HB   ASN   7          1HB       ASN   7  -7.881  15.011  -6.244
   51   2HB   ASN   7          2HB       ASN   7  -7.108  14.863  -4.670
   52   1HD2  ASN   7          1HD2      ASN   7  -8.439  17.261  -5.959
   53   2HD2  ASN   7          2HD2      ASN   7  -7.130  18.452  -5.862
   54    HA   PRO   8           HA       PRO   8  -4.095  11.364  -3.752
   55   1HB   PRO   8          1HB       PRO   8  -2.714  12.738  -1.786
   56   2HB   PRO   8          2HB       PRO   8  -2.025  12.232  -3.358
   57   1HG   PRO   8          1HG       PRO   8  -2.824  14.956  -2.455
   58   2HG   PRO   8          2HG       PRO   8  -1.653  14.472  -3.715
   59   1HD   PRO   8          1HD       PRO   8  -4.347  15.345  -4.058
   60   2HD   PRO   8          2HD       PRO   8  -3.233  14.737  -5.321
   61    H    GLY   9           H        GLY   9  -4.406  10.778  -1.396
   62   1HA   GLY   9          1HA       GLY   9  -7.084  10.989  -0.628
   63   2HA   GLY   9          2HA       GLY   9  -5.773  10.453   0.434
   64    H    GLU  10           H        GLU  10  -4.582  12.165   1.619
   65    HA   GLU  10           HA       GLU  10  -6.126  14.698   1.999
   66   1HB   GLU  10          1HB       GLU  10  -4.619  12.922   3.943
   67   2HB   GLU  10          2HB       GLU  10  -4.806  14.645   4.260
   68   1HG   GLU  10          1HG       GLU  10  -6.797  14.264   5.143
   69   2HG   GLU  10          2HG       GLU  10  -7.410  13.926   3.540
   70    H    ASP  11           H        ASP  11  -3.035  13.486   1.084
   71    HA   ASP  11           HA       ASP  11  -2.018  15.772  -0.068
   72   1HB   ASP  11          1HB       ASP  11  -1.577  15.803   2.897
   73   2HB   ASP  11          2HB       ASP  11  -0.105  15.927   1.957
   74    H    ALA  12           H        ALA  12  -0.941  14.626  -1.513
   75    HA   ALA  12           HA       ALA  12   0.497  13.212  -2.534
   76   1HB   ALA  12          1HB       ALA  12   2.062  12.811   0.017
   77   2HB   ALA  12          2HB       ALA  12   2.657  13.004  -1.646
   78   3HB   ALA  12          3HB       ALA  12   2.029  14.397  -0.772
   79    HA   PRO  13           HA       PRO  13  -0.702   8.996  -1.528
   80   1HB   PRO  13          1HB       PRO  13   1.297   7.467  -2.654
   81   2HB   PRO  13          2HB       PRO  13  -0.018   8.240  -3.565
   82   1HG   PRO  13          1HG       PRO  13   2.846   9.035  -3.404
   83   2HG   PRO  13          2HG       PRO  13   1.646   9.354  -4.686
   84   1HD   PRO  13          1HD       PRO  13   2.528  11.104  -2.608
   85   2HD   PRO  13          2HD       PRO  13   1.222  11.411  -3.788
   86    H    ALA  14           H        ALA  14  -0.107   7.170  -0.240
   87    HA   ALA  14           HA       ALA  14   0.877   5.972   1.407
   88   1HB   ALA  14          1HB       ALA  14   3.113   6.168   2.077
   89   2HB   ALA  14          2HB       ALA  14   3.107   6.674   0.374
   90   3HB   ALA  14          3HB       ALA  14   3.194   7.888   1.670
   91    H    GLU  15           H        GLU  15  -0.787   8.525   1.686
   92    HA   GLU  15           HA       GLU  15  -0.534   8.970   4.612
   93   1HB   GLU  15          1HB       GLU  15  -0.944  10.659   2.293
   94   2HB   GLU  15          2HB       GLU  15  -2.314  10.845   3.346
   95   1HG   GLU  15          1HG       GLU  15   0.509  10.923   4.487
   96   2HG   GLU  15          2HG       GLU  15  -0.085  12.311   3.594
   97    H    ASP  16           H        ASP  16  -2.200   7.087   2.736
   98    HA   ASP  16           HA       ASP  16  -4.223   6.423   4.666
   99   1HB   ASP  16          1HB       ASP  16  -5.229   8.484   3.355
  100   2HB   ASP  16          2HB       ASP  16  -5.498   7.310   2.071
  101    H    LEU  17           H        LEU  17  -3.461   6.233   1.168
  102    HA   LEU  17           HA       LEU  17  -4.446   3.724   0.574
  103   1HB   LEU  17          1HB       LEU  17  -3.476   5.276  -1.072
  104   2HB   LEU  17          2HB       LEU  17  -1.860   4.966  -0.459
  105    HG   LEU  17           HG       LEU  17  -2.340   3.869  -2.605
  106   1HD1  LEU  17          1HD1      LEU  17  -2.020   1.561  -0.740
  107   2HD1  LEU  17          2HD1      LEU  17  -1.212   1.902  -2.252
  108   3HD1  LEU  17          3HD1      LEU  17  -0.765   2.815  -0.800
  109   1HD2  LEU  17          1HD2      LEU  17  -4.695   3.376  -2.422
  110   2HD2  LEU  17          2HD2      LEU  17  -3.822   1.852  -2.678
  111   3HD2  LEU  17          3HD2      LEU  17  -4.410   2.273  -1.070
  112    H    ALA  18           H        ALA  18  -1.333   4.386   2.182
  113    HA   ALA  18           HA       ALA  18  -0.240   1.808   2.239
  114   1HB   ALA  18          1HB       ALA  18   0.670   4.121   3.114
  115   2HB   ALA  18          2HB       ALA  18  -0.092   3.643   4.645
  116   3HB   ALA  18          3HB       ALA  18   1.168   2.626   3.919
  117    H    GLN  19           H        GLN  19  -3.048   3.016   4.017
  118    HA   GLN  19           HA       GLN  19  -3.191   0.794   5.896
  119   1HB   GLN  19          1HB       GLN  19  -4.114   3.301   6.004
  120   2HB   GLN  19          2HB       GLN  19  -5.488   2.632   5.138
  121   1HG   GLN  19          1HG       GLN  19  -6.330   1.739   7.020
  122   2HG   GLN  19          2HG       GLN  19  -4.822   0.890   7.385
  123   1HE2  GLN  19          1HE2      GLN  19  -3.669   1.614   9.237
  124   2HE2  GLN  19          2HE2      GLN  19  -4.088   3.194   9.946
  125    H    TYR  20           H        TYR  20  -4.750   1.781   2.828
  126    HA   TYR  20           HA       TYR  20  -6.557  -0.450   2.651
  127   1HB   TYR  20          1HB       TYR  20  -6.485   1.892   1.377
  128   2HB   TYR  20          2HB       TYR  20  -5.478   1.010   0.244
  129    HD1  TYR  20           HD1      TYR  20  -6.660   0.361  -1.682
  130    HD2  TYR  20           HD2      TYR  20  -8.649   0.301   2.148
  131    HE1  TYR  20           HE1      TYR  20  -8.739  -0.444  -2.774
  132    HE2  TYR  20           HE2      TYR  20 -10.725  -0.528   1.052
  133    HH   TYR  20           HH       TYR  20 -10.832  -1.409  -2.363
  134    H    ALA  21           H        ALA  21  -3.481   0.218   0.897
  135    HA   ALA  21           HA       ALA  21  -3.184  -2.286  -0.385
  136   1HB   ALA  21          1HB       ALA  21  -1.155  -0.266   0.619
  137   2HB   ALA  21          2HB       ALA  21  -0.668  -1.758  -0.220
  138   3HB   ALA  21          3HB       ALA  21  -1.704  -0.588  -1.053
  139    H    ALA  22           H        ALA  22  -2.577  -1.465   2.975
  140    HA   ALA  22           HA       ALA  22  -1.254  -3.948   3.726
  141   1HB   ALA  22          1HB       ALA  22  -0.794  -1.963   5.026
  142   2HB   ALA  22          2HB       ALA  22  -2.522  -1.717   5.360
  143   3HB   ALA  22          3HB       ALA  22  -1.680  -3.121   6.039
  144    H    ASP  23           H        ASP  23  -4.627  -2.613   4.213
  145    HA   ASP  23           HA       ASP  23  -5.774  -4.918   5.334
  146   1HB   ASP  23          1HB       ASP  23  -6.723  -2.448   4.228
  147   2HB   ASP  23          2HB       ASP  23  -7.582  -3.711   3.370
  148    H    LEU  24           H        LEU  24  -5.338  -4.120   1.888
  149    HA   LEU  24           HA       LEU  24  -6.434  -6.644   0.939
  150   1HB   LEU  24          1HB       LEU  24  -4.520  -4.750  -0.492
  151   2HB   LEU  24          2HB       LEU  24  -5.314  -6.146  -1.198
  152    HG   LEU  24           HG       LEU  24  -7.490  -4.832  -0.130
  153   1HD1  LEU  24          1HD1      LEU  24  -6.934  -2.473  -1.449
  154   2HD1  LEU  24          2HD1      LEU  24  -6.935  -2.695   0.290
  155   3HD1  LEU  24          3HD1      LEU  24  -5.409  -2.775  -0.638
  156   1HD2  LEU  24          1HD2      LEU  24  -6.402  -4.402  -2.933
  157   2HD2  LEU  24          2HD2      LEU  24  -7.313  -5.837  -2.390
  158   3HD2  LEU  24          3HD2      LEU  24  -8.089  -4.254  -2.389
  159    H    ARG  25           H        ARG  25  -3.016  -5.618   1.438
  160    HA   ARG  25           HA       ARG  25  -1.764  -8.099   0.834
  161   1HB   ARG  25          1HB       ARG  25  -1.074  -5.639   2.336
  162   2HB   ARG  25          2HB       ARG  25  -0.315  -7.001   3.013
  163   1HG   ARG  25          1HG       ARG  25  -0.108  -6.829   0.013
  164   2HG   ARG  25          2HG       ARG  25   0.642  -5.520   0.908
  165   1HD   ARG  25          1HD       ARG  25   2.438  -6.798   1.226
  166   2HD   ARG  25          2HD       ARG  25   1.490  -7.781   2.336
  167    HE   ARG  25           HE       ARG  25   1.191  -8.548  -0.468
  168   1HH1  ARG  25          1HH1      ARG  25   3.260  -8.966   2.316
  169   2HH1  ARG  25          2HH1      ARG  25   3.970 -10.438   1.731
  170   1HH2  ARG  25          1HH2      ARG  25   2.094 -10.448  -1.207
  171   2HH2  ARG  25          2HH2      ARG  25   3.240 -11.302  -0.205
  172    H    HIS  26           H        HIS  26  -3.306  -7.103   3.852
  173    HA   HIS  26           HA       HIS  26  -2.501  -9.424   5.361
  174   1HB   HIS  26          1HB       HIS  26  -3.263  -7.090   6.207
  175   2HB   HIS  26          2HB       HIS  26  -4.910  -7.670   5.968
  176    HD2  HIS  26           HD2      HIS  26  -5.814  -9.468   7.792
  177    HE1  HIS  26           HE1      HIS  26  -2.258  -9.799  10.102
  178    H    TYR  27           H        TYR  27  -5.630  -8.452   3.869
  179    HA   TYR  27           HA       TYR  27  -7.093 -10.829   4.219
  180   1HB   TYR  27          1HB       TYR  27  -7.157  -8.510   2.353
  181   2HB   TYR  27          2HB       TYR  27  -7.810  -9.974   1.686
  182    HD1  TYR  27           HD1      TYR  27  -8.023  -8.441   5.153
  183    HD2  TYR  27           HD2      TYR  27 -10.091  -9.938   1.669
  184    HE1  TYR  27           HE1      TYR  27 -10.207  -8.069   6.282
  185    HE2  TYR  27           HE2      TYR  27 -12.268  -9.517   2.777
  186    HH   TYR  27           HH       TYR  27 -13.227  -8.392   4.495
  187    H    ILE  28           H        ILE  28  -5.135  -9.954   1.320
  188    HA   ILE  28           HA       ILE  28  -5.371 -12.412   0.021
  189    HB   ILE  28           HB       ILE  28  -4.045 -10.039  -0.435
  190   2HG1  ILE  28          2HG1      ILE  28  -5.332 -11.614  -1.985
  191   1HG2  ILE  28          1HG2      ILE  28  -1.910 -12.197  -0.549
  192   2HG2  ILE  28          2HG2      ILE  28  -1.777 -10.561  -1.219
  193   3HG2  ILE  28          3HG2      ILE  28  -1.938 -10.768   0.516
  194   1HD1  ILE  28          1HD1      ILE  28  -4.265  -9.439  -2.682
  195   2HD1  ILE  28          2HD1      ILE  28  -2.845 -10.367  -3.205
  196   3HD1  ILE  28          3HD1      ILE  28  -4.421 -10.647  -3.966
  197    H    ASN  29           H        ASN  29  -2.998 -11.529   2.491
  198    HA   ASN  29           HA       ASN  29  -1.450 -13.909   2.413
  199   1HB   ASN  29          1HB       ASN  29  -1.695 -11.625   4.151
  200   2HB   ASN  29          2HB       ASN  29  -1.822 -13.019   5.187
  201   1HD2  ASN  29          1HD2      ASN  29   0.332 -10.879   4.167
  202   2HD2  ASN  29          2HD2      ASN  29   1.771 -11.926   4.163
  203    H    LEU  30           H        LEU  30  -4.184 -13.223   4.590
  204    HA   LEU  30           HA       LEU  30  -4.489 -16.053   5.333
  205   1HB   LEU  30          1HB       LEU  30  -5.938 -13.495   6.106
  206   2HB   LEU  30          2HB       LEU  30  -6.324 -15.059   6.810
  207    HG   LEU  30           HG       LEU  30  -3.461 -14.084   6.908
  208   1HD1  LEU  30          1HD1      LEU  30  -5.374 -13.369   9.134
  209   2HD1  LEU  30          2HD1      LEU  30  -3.729 -12.782   8.797
  210   3HD1  LEU  30          3HD1      LEU  30  -5.070 -12.267   7.780
  211   1HD2  LEU  30          1HD2      LEU  30  -4.312 -16.452   7.626
  212   2HD2  LEU  30          2HD2      LEU  30  -3.215 -15.568   8.703
  213   3HD2  LEU  30          3HD2      LEU  30  -4.957 -15.621   9.047
  214    H    ILE  31           H        ILE  31  -4.868 -15.393   2.611
  215    HA   ILE  31           HA       ILE  31  -7.487 -16.661   2.103
  216    HB   ILE  31           HB       ILE  31  -6.665 -14.003   0.956
  217   2HG1  ILE  31          2HG1      ILE  31  -8.097 -13.893   2.915
  218   1HG2  ILE  31          1HG2      ILE  31  -7.118 -15.395  -1.006
  219   2HG2  ILE  31          2HG2      ILE  31  -8.691 -15.869  -0.307
  220   3HG2  ILE  31          3HG2      ILE  31  -8.360 -14.181  -0.775
  221   1HD1  ILE  31          1HD1      ILE  31 -10.131 -12.897   2.244
  222   2HD1  ILE  31          2HD1      ILE  31  -8.941 -12.452   1.000
  223   3HD1  ILE  31          3HD1      ILE  31 -10.136 -13.746   0.692
  224    H    THR  32           H        THR  32  -4.414 -15.540   0.538
  225    HA   THR  32           HA       THR  32  -4.614 -17.381  -1.622
  226    HB   THR  32           HB       THR  32  -3.156 -15.241  -1.303
  227    HG1  THR  32           HG1      THR  32  -3.254 -16.534  -3.158
  228   1HG2  THR  32          1HG2      THR  32  -0.866 -15.510  -0.757
  229   2HG2  THR  32          2HG2      THR  32  -1.731 -16.251   0.599
  230   3HG2  THR  32          3HG2      THR  32  -0.994 -17.279  -0.662
  231    H    ARG  33           H        ARG  33  -3.211 -17.702   1.568
  232    HA   ARG  33           HA       ARG  33  -2.135 -20.397   1.136
  233   1HB   ARG  33          1HB       ARG  33  -2.351 -18.464   3.473
  234   2HB   ARG  33          2HB       ARG  33  -1.747 -20.108   3.712
  235   1HG   ARG  33          1HG       ARG  33   0.163 -19.812   2.453
  236   2HG   ARG  33          2HG       ARG  33  -0.484 -18.455   1.524
  237   1HD   ARG  33          1HD       ARG  33   0.263 -16.916   2.982
  238   2HD   ARG  33          2HD       ARG  33  -0.407 -17.767   4.363
  239    HE   ARG  33           HE       ARG  33   1.645 -18.594   4.856
  240   1HH1  ARG  33          1HH1      ARG  33   1.823 -17.587   1.529
  241   2HH1  ARG  33          2HH1      ARG  33   3.521 -17.906   1.346
  242   1HH2  ARG  33          1HH2      ARG  33   3.826 -19.020   4.671
  243   2HH2  ARG  33          2HH2      ARG  33   4.641 -18.733   3.167
  244    H    GLN  34           H        GLN  34  -5.155 -19.594   1.119
  245    HA   GLN  34           HA       GLN  34  -6.033 -22.179   2.273
  246   1HB   GLN  34          1HB       GLN  34  -7.925 -21.175   3.460
  247   2HB   GLN  34          2HB       GLN  34  -6.390 -20.584   4.098
  248   1HG   GLN  34          1HG       GLN  34  -6.651 -18.455   3.136
  249   2HG   GLN  34          2HG       GLN  34  -7.885 -19.018   1.989
  250   1HE2  GLN  34          1HE2      GLN  34  -9.609 -17.704   2.410
  251   2HE2  GLN  34          2HE2      GLN  34 -10.305 -17.630   4.036
  252    H    ARG  35           H        ARG  35  -5.744 -20.782  -0.490
  253    HA   ARG  35           HA       ARG  35  -8.522 -21.302  -1.448
  254   1HB   ARG  35          1HB       ARG  35  -7.414 -18.849  -1.547
  255   2HB   ARG  35          2HB       ARG  35  -6.690 -19.465  -3.006
  256   1HG   ARG  35          1HG       ARG  35  -9.416 -20.237  -3.204
  257   2HG   ARG  35          2HG       ARG  35  -9.478 -18.701  -2.329
  258   1HD   ARG  35          1HD       ARG  35  -7.939 -17.803  -4.232
  259   2HD   ARG  35          2HD       ARG  35  -8.394 -19.298  -5.083
  260    HE   ARG  35           HE       ARG  35 -10.710 -17.888  -4.100
  261   1HH1  ARG  35          1HH1      ARG  35  -8.485 -17.949  -6.793
  262   2HH1  ARG  35          2HH1      ARG  35  -9.570 -17.080  -7.851
  263   1HH2  ARG  35          1HH2      ARG  35 -12.098 -16.771  -5.509
  264   2HH2  ARG  35          2HH2      ARG  35 -11.570 -16.454  -7.123
  265    H    TYR  36           H        TYR  36  -7.318 -20.932  -4.211
  266    HA   TYR  36           HA       TYR  36  -6.969 -23.444  -5.238
  267   1HB   TYR  36          1HB       TYR  36  -5.931 -22.370  -7.110
  268   2HB   TYR  36          2HB       TYR  36  -7.144 -21.271  -6.481
  269    HD1  TYR  36           HD1      TYR  36  -3.456 -22.001  -6.430
  270    HD2  TYR  36           HD2      TYR  36  -6.502 -18.979  -6.013
  271    HE1  TYR  36           HE1      TYR  36  -1.705 -20.267  -6.123
  272    HE2  TYR  36           HE2      TYR  36  -4.748 -17.238  -5.794
  273    HH   TYR  36           HH       TYR  36  -2.369 -16.881  -6.290
  274   1HN   NH2  37          1HN       NH2  37  -4.390 -21.651  -3.414
  275   2HN   NH2  37          2HN       NH2  37  -3.310 -23.036  -3.490
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1 -10.902  26.618  -5.035
    2   2H    TYR   1          2H        TYR   1 -11.950  26.261  -3.817
    3   3H    TYR   1          3H        TYR   1 -11.366  25.053  -4.773
    4    HA   TYR   1           HA       TYR   1 -13.722  26.011  -5.146
    5   1HB   TYR   1          1HB       TYR   1 -12.045  28.228  -5.864
    6   2HB   TYR   1          2HB       TYR   1 -12.797  27.631  -7.328
    7    HD1  TYR   1           HD1      TYR   1 -13.469  29.000  -3.947
    8    HD2  TYR   1           HD2      TYR   1 -15.133  27.891  -7.773
    9    HE1  TYR   1           HE1      TYR   1 -15.542  30.274  -3.425
   10    HE2  TYR   1           HE2      TYR   1 -17.191  29.180  -7.243
   11    HH   TYR   1           HH       TYR   1 -17.694  31.211  -5.753
   12    HA   PRO   2           HA       PRO   2 -12.630  24.260  -9.356
   13   1HB   PRO   2          1HB       PRO   2 -10.008  23.884 -10.166
   14   2HB   PRO   2          2HB       PRO   2 -11.000  25.329 -10.510
   15   1HG   PRO   2          1HG       PRO   2  -8.782  24.994  -8.541
   16   2HG   PRO   2          2HG       PRO   2  -9.372  26.476  -9.350
   17   1HD   PRO   2          1HD       PRO   2  -9.928  25.614  -6.708
   18   2HD   PRO   2          2HD       PRO   2 -10.705  26.960  -7.583
   19    H    SER   3           H        SER   3 -10.064  23.290  -7.089
   20    HA   SER   3           HA       SER   3  -9.322  21.303  -6.272
   21   1HB   SER   3          1HB       SER   3 -12.261  20.669  -6.557
   22   2HB   SER   3          2HB       SER   3 -11.106  19.582  -5.776
   23    HG   SER   3           HG       SER   3 -10.656  21.156  -4.260
   24    H    LYS   4           H        LYS   4  -7.882  20.759  -7.869
   25    HA   LYS   4           HA       LYS   4  -8.716  18.607  -9.773
   26   1HB   LYS   4          1HB       LYS   4  -6.920  20.993 -10.247
   27   2HB   LYS   4          2HB       LYS   4  -6.973  19.571 -11.305
   28   1HG   LYS   4          1HG       LYS   4  -9.206  19.920 -11.948
   29   2HG   LYS   4          2HG       LYS   4  -9.558  21.038 -10.628
   30   1HD   LYS   4          1HD       LYS   4  -8.465  22.823 -11.595
   31   2HD   LYS   4          2HD       LYS   4  -7.400  21.803 -12.589
   32   1HE   LYS   4          1HE       LYS   4  -9.325  21.109 -13.966
   33   2HE   LYS   4          2HE       LYS   4 -10.404  22.123 -12.996
   34   1HZ   LYS   4          1HZ       LYS   4  -8.334  23.754 -13.793
   35   2HZ   LYS   4          2HZ       LYS   4  -8.702  22.865 -15.128
   36   3HZ   LYS   4          3HZ       LYS   4  -9.867  23.768 -14.399
   37    HA   PRO   5           HA       PRO   5  -5.398  16.969  -7.050
   38   1HB   PRO   5          1HB       PRO   5  -6.489  14.438  -6.750
   39   2HB   PRO   5          2HB       PRO   5  -6.827  15.833  -5.691
   40   1HG   PRO   5          1HG       PRO   5  -8.573  14.622  -7.794
   41   2HG   PRO   5          2HG       PRO   5  -9.022  15.543  -6.328
   42   1HD   PRO   5          1HD       PRO   5  -8.899  16.509  -8.998
   43   2HD   PRO   5          2HD       PRO   5  -9.100  17.482  -7.514
   44    H    ASP   6           H        ASP   6  -3.864  17.010  -8.669
   45    HA   ASP   6           HA       ASP   6  -3.817  15.696 -11.111
   46   1HB   ASP   6          1HB       ASP   6  -1.469  16.202  -9.224
   47   2HB   ASP   6          2HB       ASP   6  -1.327  15.740 -10.921
   48    H    ASN   7           H        ASN   7  -2.200  14.465  -8.152
   49    HA   ASN   7           HA       ASN   7  -2.415  11.704  -9.195
   50   1HB   ASN   7          1HB       ASN   7  -0.498  11.178  -7.875
   51   2HB   ASN   7          2HB       ASN   7  -0.127  12.661  -8.735
   52   1HD2  ASN   7          1HD2      ASN   7   0.258  11.197  -5.790
   53   2HD2  ASN   7          2HD2      ASN   7   0.278  12.664  -4.809
   54    HA   PRO   8           HA       PRO   8  -5.162  10.870  -5.748
   55   1HB   PRO   8          1HB       PRO   8  -4.831   8.146  -5.441
   56   2HB   PRO   8          2HB       PRO   8  -5.793   8.919  -6.733
   57   1HG   PRO   8          1HG       PRO   8  -3.079   7.662  -6.914
   58   2HG   PRO   8          2HG       PRO   8  -4.349   7.839  -8.172
   59   1HD   PRO   8          1HD       PRO   8  -2.028   9.442  -7.820
   60   2HD   PRO   8          2HD       PRO   8  -3.402   9.782  -8.909
   61    H    GLY   9           H        GLY   9  -4.758  11.463  -3.766
   62   1HA   GLY   9          1HA       GLY   9  -3.659  10.253  -1.628
   63   2HA   GLY   9          2HA       GLY   9  -2.216  10.972  -2.385
   64    H    GLU  10           H        GLU  10  -4.465  11.551  -0.040
   65    HA   GLU  10           HA       GLU  10  -5.163  14.276  -0.411
   66   1HB   GLU  10          1HB       GLU  10  -5.485  12.238   1.574
   67   2HB   GLU  10          2HB       GLU  10  -4.761  13.600   2.412
   68   1HG   GLU  10          1HG       GLU  10  -6.608  14.962   2.109
   69   2HG   GLU  10          2HG       GLU  10  -7.047  14.235   0.564
   70    H    ASP  11           H        ASP  11  -2.147  12.902   0.473
   71    HA   ASP  11           HA       ASP  11  -0.615  15.206   0.003
   72   1HB   ASP  11          1HB       ASP  11  -1.536  14.893   2.823
   73   2HB   ASP  11          2HB       ASP  11   0.208  14.937   2.678
   74    H    ALA  12           H        ALA  12   0.586  13.757  -1.218
   75    HA   ALA  12           HA       ALA  12   2.099  12.149  -1.739
   76   1HB   ALA  12          1HB       ALA  12   3.909  11.743  -0.153
   77   2HB   ALA  12          2HB       ALA  12   3.376  13.416  -0.006
   78   3HB   ALA  12          3HB       ALA  12   2.885  12.221   1.204
   79    HA   PRO  13           HA       PRO  13   0.445   8.101  -0.590
   80   1HB   PRO  13          1HB       PRO  13   2.502   6.376  -1.240
   81   2HB   PRO  13          2HB       PRO  13   1.411   7.145  -2.422
   82   1HG   PRO  13          1HG       PRO  13   4.254   7.789  -1.832
   83   2HG   PRO  13          2HG       PRO  13   3.306   8.066  -3.322
   84   1HD   PRO  13          1HD       PRO  13   3.940   9.940  -1.260
   85   2HD   PRO  13          2HD       PRO  13   2.890  10.218  -2.674
   86    H    ALA  14           H        ALA  14   0.705   6.381   0.921
   87    HA   ALA  14           HA       ALA  14   1.334   5.288   2.803
   88   1HB   ALA  14          1HB       ALA  14   3.738   5.770   2.114
   89   2HB   ALA  14          2HB       ALA  14   3.694   7.090   3.307
   90   3HB   ALA  14          3HB       ALA  14   3.425   5.421   3.827
   91    H    GLU  15           H        GLU  15  -0.306   7.804   2.605
   92    HA   GLU  15           HA       GLU  15  -0.457   8.454   5.497
   93   1HB   GLU  15          1HB       GLU  15  -0.197  10.077   3.112
   94   2HB   GLU  15          2HB       GLU  15  -1.752  10.429   3.820
   95   1HG   GLU  15          1HG       GLU  15  -0.856  11.333   5.748
   96   2HG   GLU  15          2HG       GLU  15   0.514  10.238   5.774
   97    H    ASP  16           H        ASP  16  -1.960   6.603   3.515
   98    HA   ASP  16           HA       ASP  16  -4.300   6.104   5.023
   99   1HB   ASP  16          1HB       ASP  16  -4.703   8.340   3.275
  100   2HB   ASP  16          2HB       ASP  16  -5.482   6.990   2.475
  101    H    LEU  17           H        LEU  17  -3.113   6.159   1.656
  102    HA   LEU  17           HA       LEU  17  -4.248   3.751   0.780
  103   1HB   LEU  17          1HB       LEU  17  -3.189   5.281  -0.809
  104   2HB   LEU  17          2HB       LEU  17  -1.613   5.056  -0.032
  105    HG   LEU  17           HG       LEU  17  -1.568   2.685  -0.751
  106   1HD1  LEU  17          1HD1      LEU  17  -3.673   2.835  -2.790
  107   2HD1  LEU  17          2HD1      LEU  17  -3.272   1.561  -1.622
  108   3HD1  LEU  17          3HD1      LEU  17  -4.345   2.889  -1.164
  109   1HD2  LEU  17          1HD2      LEU  17  -1.951   4.739  -2.926
  110   2HD2  LEU  17          2HD2      LEU  17  -0.438   4.211  -2.144
  111   3HD2  LEU  17          3HD2      LEU  17  -1.319   3.096  -3.193
  112    H    ALA  18           H        ALA  18  -1.253   4.184   2.655
  113    HA   ALA  18           HA       ALA  18  -0.227   1.569   2.522
  114   1HB   ALA  18          1HB       ALA  18  -0.103   2.559   5.254
  115   2HB   ALA  18          2HB       ALA  18   1.194   2.370   4.062
  116   3HB   ALA  18          3HB       ALA  18   0.251   3.875   4.129
  117    H    GLN  19           H        GLN  19  -3.003   2.800   4.459
  118    HA   GLN  19           HA       GLN  19  -3.418   0.353   5.912
  119   1HB   GLN  19          1HB       GLN  19  -4.297   2.941   6.173
  120   2HB   GLN  19          2HB       GLN  19  -5.721   2.202   5.425
  121   1HG   GLN  19          1HG       GLN  19  -5.714   0.445   7.189
  122   2HG   GLN  19          2HG       GLN  19  -4.287   1.189   7.919
  123   1HE2  GLN  19          1HE2      GLN  19  -7.390   0.856   8.691
  124   2HE2  GLN  19          2HE2      GLN  19  -7.703   2.509   9.248
  125    H    TYR  20           H        TYR  20  -4.871   1.751   2.961
  126    HA   TYR  20           HA       TYR  20  -6.735  -0.353   2.421
  127   1HB   TYR  20          1HB       TYR  20  -6.752   1.919   1.408
  128   2HB   TYR  20          2HB       TYR  20  -5.292   1.554   0.544
  129    HD1  TYR  20           HD1      TYR  20  -8.800   0.254   0.934
  130    HD2  TYR  20           HD2      TYR  20  -5.375   0.695  -1.644
  131    HE1  TYR  20           HE1      TYR  20 -10.114  -0.667  -0.982
  132    HE2  TYR  20           HE2      TYR  20  -6.694  -0.185  -3.559
  133    HH   TYR  20           HH       TYR  20  -9.522  -1.891  -3.170
  134    H    ALA  21           H        ALA  21  -3.508   0.266   1.030
  135    HA   ALA  21           HA       ALA  21  -3.275  -2.140  -0.481
  136   1HB   ALA  21          1HB       ALA  21  -0.894  -1.549  -0.589
  137   2HB   ALA  21          2HB       ALA  21  -1.881  -0.097  -0.808
  138   3HB   ALA  21          3HB       ALA  21  -1.089  -0.398   0.750
  139    H    ALA  22           H        ALA  22  -2.583  -1.410   2.932
  140    HA   ALA  22           HA       ALA  22  -1.243  -3.896   3.560
  141   1HB   ALA  22          1HB       ALA  22  -0.821  -1.991   4.986
  142   2HB   ALA  22          2HB       ALA  22  -2.565  -1.831   5.356
  143   3HB   ALA  22          3HB       ALA  22  -1.653  -3.236   5.927
  144    H    ASP  23           H        ASP  23  -4.634  -2.688   4.197
  145    HA   ASP  23           HA       ASP  23  -5.598  -5.122   5.272
  146   1HB   ASP  23          1HB       ASP  23  -6.818  -2.729   3.926
  147   2HB   ASP  23          2HB       ASP  23  -7.778  -4.194   3.879
  148    H    LEU  24           H        LEU  24  -5.310  -4.067   1.862
  149    HA   LEU  24           HA       LEU  24  -6.419  -6.560   0.848
  150   1HB   LEU  24          1HB       LEU  24  -4.666  -4.512  -0.552
  151   2HB   LEU  24          2HB       LEU  24  -5.484  -5.862  -1.321
  152    HG   LEU  24           HG       LEU  24  -6.574  -3.256  -0.346
  153   1HD1  LEU  24          1HD1      LEU  24  -7.544  -3.126  -2.389
  154   2HD1  LEU  24          2HD1      LEU  24  -6.176  -4.161  -2.800
  155   3HD1  LEU  24          3HD1      LEU  24  -7.791  -4.880  -2.549
  156   1HD2  LEU  24          1HD2      LEU  24  -7.963  -4.673   1.058
  157   2HD2  LEU  24          2HD2      LEU  24  -8.919  -4.088  -0.301
  158   3HD2  LEU  24          3HD2      LEU  24  -8.306  -5.757  -0.311
  159    H    ARG  25           H        ARG  25  -3.063  -5.537   1.481
  160    HA   ARG  25           HA       ARG  25  -1.801  -7.982   0.650
  161   1HB   ARG  25          1HB       ARG  25  -1.078  -5.536   2.180
  162   2HB   ARG  25          2HB       ARG  25  -0.279  -6.923   2.800
  163   1HG   ARG  25          1HG       ARG  25  -0.215  -6.784  -0.183
  164   2HG   ARG  25          2HG       ARG  25   0.555  -5.411   0.620
  165   1HD   ARG  25          1HD       ARG  25   2.030  -6.789   1.862
  166   2HD   ARG  25          2HD       ARG  25   1.119  -8.267   1.481
  167    HE   ARG  25           HE       ARG  25   1.921  -7.313  -0.990
  168   1HH1  ARG  25          1HH1      ARG  25   3.593  -8.243   1.907
  169   2HH1  ARG  25          2HH1      ARG  25   5.037  -8.768   1.091
  170   1HH2  ARG  25          1HH2      ARG  25   3.763  -8.015  -2.072
  171   2HH2  ARG  25          2HH2      ARG  25   5.112  -8.650  -1.185
  172    H    HIS  26           H        HIS  26  -3.256  -7.064   3.730
  173    HA   HIS  26           HA       HIS  26  -2.441  -9.424   5.152
  174   1HB   HIS  26          1HB       HIS  26  -3.156  -7.215   6.174
  175   2HB   HIS  26          2HB       HIS  26  -4.810  -7.623   5.762
  176    HD2  HIS  26           HD2      HIS  26  -6.042  -9.378   7.383
  177    HE1  HIS  26           HE1      HIS  26  -2.774 -10.286   9.932
  178    H    TYR  27           H        TYR  27  -5.570  -8.441   3.639
  179    HA   TYR  27           HA       TYR  27  -6.993 -10.836   3.941
  180   1HB   TYR  27          1HB       TYR  27  -7.225  -8.443   2.302
  181   2HB   TYR  27          2HB       TYR  27  -7.542  -9.835   1.319
  182    HD1  TYR  27           HD1      TYR  27  -8.365  -8.711   4.826
  183    HD2  TYR  27           HD2      TYR  27  -9.777 -10.395   1.119
  184    HE1  TYR  27           HE1      TYR  27 -10.702  -8.814   5.736
  185    HE2  TYR  27           HE2      TYR  27 -12.066 -10.546   2.038
  186    HH   TYR  27           HH       TYR  27 -13.427 -10.122   3.841
  187    H    ILE  28           H        ILE  28  -4.861  -9.964   1.136
  188    HA   ILE  28           HA       ILE  28  -5.164 -12.432  -0.175
  189    HB   ILE  28           HB       ILE  28  -3.750 -10.105  -0.584
  190   2HG1  ILE  28          2HG1      ILE  28  -4.980 -11.634  -2.177
  191   1HG2  ILE  28          1HG2      ILE  28  -1.649 -12.292  -0.536
  192   2HG2  ILE  28          2HG2      ILE  28  -1.455 -10.685  -1.269
  193   3HG2  ILE  28          3HG2      ILE  28  -1.700 -10.818   0.459
  194   1HD1  ILE  28          1HD1      ILE  28  -2.429 -10.724  -3.482
  195   2HD1  ILE  28          2HD1      ILE  28  -4.120 -10.554  -4.015
  196   3HD1  ILE  28          3HD1      ILE  28  -3.495  -9.513  -2.732
  197    H    ASN  29           H        ASN  29  -2.670 -11.564   2.232
  198    HA   ASN  29           HA       ASN  29  -1.414 -14.111   2.350
  199   1HB   ASN  29          1HB       ASN  29  -1.250 -11.588   3.770
  200   2HB   ASN  29          2HB       ASN  29  -1.299 -12.879   4.947
  201   1HD2  ASN  29          1HD2      ASN  29   0.436 -11.702   2.048
  202   2HD2  ASN  29          2HD2      ASN  29   1.877 -12.674   2.426
  203    H    LEU  30           H        LEU  30  -4.196 -12.831   4.114
  204    HA   LEU  30           HA       LEU  30  -4.556 -15.018   5.907
  205   1HB   LEU  30          1HB       LEU  30  -6.075 -12.583   5.071
  206   2HB   LEU  30          2HB       LEU  30  -7.096 -13.910   5.578
  207    HG   LEU  30           HG       LEU  30  -4.915 -12.589   7.245
  208   1HD1  LEU  30          1HD1      LEU  30  -6.801 -11.806   8.567
  209   2HD1  LEU  30          2HD1      LEU  30  -7.098 -11.370   6.875
  210   3HD1  LEU  30          3HD1      LEU  30  -7.952 -12.757   7.590
  211   1HD2  LEU  30          1HD2      LEU  30  -4.911 -14.880   7.971
  212   2HD2  LEU  30          2HD2      LEU  30  -6.002 -14.059   9.087
  213   3HD2  LEU  30          3HD2      LEU  30  -6.677 -15.030   7.758
  214    H    ILE  31           H        ILE  31  -6.287 -14.190   2.897
  215    HA   ILE  31           HA       ILE  31  -7.914 -16.485   2.665
  216    HB   ILE  31           HB       ILE  31  -6.573 -14.865   0.514
  217   2HG1  ILE  31          2HG1      ILE  31  -8.284 -13.747   2.201
  218   1HG2  ILE  31          1HG2      ILE  31  -8.118 -15.796  -1.086
  219   2HG2  ILE  31          2HG2      ILE  31  -7.492 -17.178  -0.200
  220   3HG2  ILE  31          3HG2      ILE  31  -9.103 -16.557   0.179
  221   1HD1  ILE  31          1HD1      ILE  31  -8.677 -12.170   0.639
  222   2HD1  ILE  31          2HD1      ILE  31  -7.553 -13.088  -0.350
  223   3HD1  ILE  31          3HD1      ILE  31  -9.299 -13.324  -0.558
  224    H    THR  32           H        THR  32  -4.541 -15.926   1.359
  225    HA   THR  32           HA       THR  32  -4.197 -18.594   0.436
  226    HB   THR  32           HB       THR  32  -1.761 -18.209   0.657
  227    HG1  THR  32           HG1      THR  32  -2.304 -16.329   2.415
  228   1HG2  THR  32          1HG2      THR  32  -2.983 -17.544  -1.378
  229   2HG2  THR  32          2HG2      THR  32  -3.324 -15.954  -0.671
  230   3HG2  THR  32          3HG2      THR  32  -1.658 -16.413  -1.025
  231    H    ARG  33           H        ARG  33  -3.755 -17.324   3.734
  232    HA   ARG  33           HA       ARG  33  -2.872 -19.874   4.826
  233   1HB   ARG  33          1HB       ARG  33  -3.633 -17.142   5.879
  234   2HB   ARG  33          2HB       ARG  33  -3.567 -18.458   7.013
  235   1HG   ARG  33          1HG       ARG  33  -1.185 -18.230   5.194
  236   2HG   ARG  33          2HG       ARG  33  -1.449 -16.864   6.264
  237   1HD   ARG  33          1HD       ARG  33  -0.277 -18.059   7.772
  238   2HD   ARG  33          2HD       ARG  33  -1.785 -18.867   8.086
  239    HE   ARG  33           HE       ARG  33  -0.968 -20.796   7.069
  240   1HH1  ARG  33          1HH1      ARG  33   1.115 -18.170   6.225
  241   2HH1  ARG  33          2HH1      ARG  33   2.394 -19.170   5.591
  242   1HH2  ARG  33          1HH2      ARG  33   0.697 -22.140   6.216
  243   2HH2  ARG  33          2HH2      ARG  33   2.029 -21.375   5.443
  244    H    GLN  34           H        GLN  34  -5.727 -19.265   3.559
  245    HA   GLN  34           HA       GLN  34  -7.082 -21.348   5.150
  246   1HB   GLN  34          1HB       GLN  34  -9.023 -20.079   5.725
  247   2HB   GLN  34          2HB       GLN  34  -7.603 -19.226   6.336
  248   1HG   GLN  34          1HG       GLN  34  -8.149 -17.362   5.191
  249   2HG   GLN  34          2HG       GLN  34  -8.220 -18.257   3.680
  250   1HE2  GLN  34          1HE2      GLN  34 -10.230 -19.173   2.990
  251   2HE2  GLN  34          2HE2      GLN  34 -11.725 -18.446   3.634
  252    H    ARG  35           H        ARG  35  -6.114 -21.381   2.456
  253    HA   ARG  35           HA       ARG  35  -8.648 -21.934   0.997
  254   1HB   ARG  35          1HB       ARG  35  -6.579 -19.962   0.288
  255   2HB   ARG  35          2HB       ARG  35  -6.647 -21.175  -0.918
  256   1HG   ARG  35          1HG       ARG  35  -9.295 -20.045  -0.009
  257   2HG   ARG  35          2HG       ARG  35  -8.216 -19.025  -0.960
  258   1HD   ARG  35          1HD       ARG  35  -7.988 -20.895  -2.624
  259   2HD   ARG  35          2HD       ARG  35  -9.347 -21.695  -1.808
  260    HE   ARG  35           HE       ARG  35 -10.327 -19.189  -2.269
  261   1HH1  ARG  35          1HH1      ARG  35  -8.697 -21.369  -4.428
  262   2HH1  ARG  35          2HH1      ARG  35  -9.572 -20.860  -5.844
  263   1HH2  ARG  35          1HH2      ARG  35 -11.435 -18.474  -4.093
  264   2HH2  ARG  35          2HH2      ARG  35 -11.107 -19.174  -5.632
  265    H    TYR  36           H        TYR  36  -8.105 -23.285  -0.975
  266    HA   TYR  36           HA       TYR  36  -7.606 -25.404  -1.669
  267   1HB   TYR  36          1HB       TYR  36  -5.158 -25.628  -2.198
  268   2HB   TYR  36          2HB       TYR  36  -5.966 -24.185  -2.765
  269    HD1  TYR  36           HD1      TYR  36  -5.089 -22.035  -2.300
  270    HD2  TYR  36           HD2      TYR  36  -3.777 -25.413   0.038
  271    HE1  TYR  36           HE1      TYR  36  -3.419 -20.589  -1.142
  272    HE2  TYR  36           HE2      TYR  36  -2.082 -23.982   1.148
  273    HH   TYR  36           HH       TYR  36  -1.004 -21.944   1.066
  274   1HN   NH2  37          1HN       NH2  37  -8.026 -25.370   1.320
  275   2HN   NH2  37          2HN       NH2  37  -7.163 -26.821   1.839
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1 -14.671  12.273 -15.064
    2   2H    TYR   1          2H        TYR   1 -16.112  11.912 -15.807
    3   3H    TYR   1          3H        TYR   1 -15.303  10.757 -14.950
    4    HA   TYR   1           HA       TYR   1 -14.581  10.148 -16.946
    5   1HB   TYR   1          1HB       TYR   1 -15.177  13.017 -17.708
    6   2HB   TYR   1          2HB       TYR   1 -14.236  11.995 -18.777
    7    HD1  TYR   1           HD1      TYR   1 -17.442  13.156 -18.460
    8    HD2  TYR   1           HD2      TYR   1 -15.313   9.396 -18.863
    9    HE1  TYR   1           HE1      TYR   1 -19.497  12.048 -19.348
   10    HE2  TYR   1           HE2      TYR   1 -17.349   8.328 -19.718
   11    HH   TYR   1           HH       TYR   1 -19.575   8.580 -20.153
   12    HA   PRO   2           HA       PRO   2 -10.267  11.050 -16.304
   13   1HB   PRO   2          1HB       PRO   2  -9.146   9.879 -18.539
   14   2HB   PRO   2          2HB       PRO   2  -9.835   8.993 -17.162
   15   1HG   PRO   2          1HG       PRO   2 -11.032   9.465 -19.873
   16   2HG   PRO   2          2HG       PRO   2 -11.198   8.056 -18.783
   17   1HD   PRO   2          1HD       PRO   2 -13.028  10.173 -19.103
   18   2HD   PRO   2          2HD       PRO   2 -13.039   8.969 -17.785
   19    H    SER   3           H        SER   3 -11.536  13.316 -16.947
   20    HA   SER   3           HA       SER   3  -9.522  14.900 -18.272
   21   1HB   SER   3          1HB       SER   3 -10.807  15.806 -20.111
   22   2HB   SER   3          2HB       SER   3 -10.685  14.051 -20.310
   23    HG   SER   3           HG       SER   3 -12.843  15.395 -19.073
   24    H    LYS   4           H        LYS   4  -9.527  15.951 -16.248
   25    HA   LYS   4           HA       LYS   4 -11.661  17.929 -15.904
   26   1HB   LYS   4          1HB       LYS   4 -10.999  15.695 -13.991
   27   2HB   LYS   4          2HB       LYS   4 -11.259  17.265 -13.274
   28   1HG   LYS   4          1HG       LYS   4 -13.453  17.132 -13.447
   29   2HG   LYS   4          2HG       LYS   4 -13.406  16.873 -15.184
   30   1HD   LYS   4          1HD       LYS   4 -13.557  14.573 -15.016
   31   2HD   LYS   4          2HD       LYS   4 -12.785  14.513 -13.429
   32   1HE   LYS   4          1HE       LYS   4 -14.922  14.077 -12.762
   33   2HE   LYS   4          2HE       LYS   4 -14.884  15.824 -12.601
   34   1HZ   LYS   4          1HZ       LYS   4 -15.907  15.932 -14.858
   35   2HZ   LYS   4          2HZ       LYS   4 -16.120  14.313 -14.811
   36   3HZ   LYS   4          3HZ       LYS   4 -16.877  15.255 -13.724
   37    HA   PRO   5           HA       PRO   5  -8.311  20.598 -14.997
   38   1HB   PRO   5          1HB       PRO   5  -9.379  22.350 -13.092
   39   2HB   PRO   5          2HB       PRO   5  -9.703  22.388 -14.842
   40   1HG   PRO   5          1HG       PRO   5 -11.457  21.428 -12.636
   41   2HG   PRO   5          2HG       PRO   5 -11.894  22.063 -14.249
   42   1HD   PRO   5          1HD       PRO   5 -11.798  19.351 -13.427
   43   2HD   PRO   5          2HD       PRO   5 -12.014  19.941 -15.097
   44    H    ASP   6           H        ASP   6  -7.244  21.789 -12.806
   45    HA   ASP   6           HA       ASP   6  -5.848  19.830 -11.389
   46   1HB   ASP   6          1HB       ASP   6  -5.381  21.697  -9.775
   47   2HB   ASP   6          2HB       ASP   6  -5.002  22.024 -11.460
   48    H    ASN   7           H        ASN   7  -6.256  18.544  -9.740
   49    HA   ASN   7           HA       ASN   7  -8.872  18.783  -8.350
   50   1HB   ASN   7          1HB       ASN   7  -7.200  16.370  -9.089
   51   2HB   ASN   7          2HB       ASN   7  -8.372  16.321  -7.770
   52   1HD2  ASN   7          1HD2      ASN   7  -8.119  15.690 -11.056
   53   2HD2  ASN   7          2HD2      ASN   7  -9.842  15.906 -11.392
   54    HA   PRO   8           HA       PRO   8  -6.180  19.577  -4.783
   55   1HB   PRO   8          1HB       PRO   8  -8.139  19.989  -2.906
   56   2HB   PRO   8          2HB       PRO   8  -7.694  21.175  -4.154
   57   1HG   PRO   8          1HG       PRO   8 -10.078  19.343  -4.083
   58   2HG   PRO   8          2HG       PRO   8  -9.935  21.009  -4.728
   59   1HD   PRO   8          1HD       PRO   8  -9.818  18.606  -6.217
   60   2HD   PRO   8          2HD       PRO   8  -9.323  20.227  -6.788
   61    H    GLY   9           H        GLY   9  -5.848  17.201  -5.483
   62   1HA   GLY   9          1HA       GLY   9  -6.558  15.311  -3.251
   63   2HA   GLY   9          2HA       GLY   9  -6.138  14.810  -4.891
   64    H    GLU  10           H        GLU  10  -4.054  14.314  -5.253
   65    HA   GLU  10           HA       GLU  10  -1.867  13.856  -4.954
   66   1HB   GLU  10          1HB       GLU  10  -1.866  16.689  -3.917
   67   2HB   GLU  10          2HB       GLU  10  -0.425  15.671  -3.833
   68   1HG   GLU  10          1HG       GLU  10  -0.572  15.237  -6.272
   69   2HG   GLU  10          2HG       GLU  10  -1.973  16.311  -6.371
   70    H    ASP  11           H        ASP  11  -1.728  12.049  -3.767
   71    HA   ASP  11           HA       ASP  11  -1.311  12.328  -0.852
   72   1HB   ASP  11          1HB       ASP  11  -2.993  10.125  -2.107
   73   2HB   ASP  11          2HB       ASP  11  -2.727  10.462  -0.401
   74    H    ALA  12           H        ALA  12   0.817  11.713  -0.712
   75    HA   ALA  12           HA       ALA  12   2.135   9.984  -2.536
   76   1HB   ALA  12          1HB       ALA  12   3.962  10.599  -1.379
   77   2HB   ALA  12          2HB       ALA  12   2.916  11.549  -0.311
   78   3HB   ALA  12          3HB       ALA  12   3.357   9.891   0.131
   79    HA   PRO  13           HA       PRO  13   0.842   5.958  -1.197
   80   1HB   PRO  13          1HB       PRO  13   2.928   4.335  -2.006
   81   2HB   PRO  13          2HB       PRO  13   1.776   5.132  -3.098
   82   1HG   PRO  13          1HG       PRO  13   4.601   5.921  -2.475
   83   2HG   PRO  13          2HG       PRO  13   3.682   6.075  -4.001
   84   1HD   PRO  13          1HD       PRO  13   4.123   8.121  -2.111
   85   2HD   PRO  13          2HD       PRO  13   2.902   8.144  -3.416
   86    H    ALA  14           H        ALA  14   1.205   7.133   0.963
   87    HA   ALA  14           HA       ALA  14   2.268   5.233   2.907
   88   1HB   ALA  14          1HB       ALA  14   3.812   7.084   3.906
   89   2HB   ALA  14          2HB       ALA  14   4.362   6.172   2.501
   90   3HB   ALA  14          3HB       ALA  14   3.721   7.822   2.295
   91    H    GLU  15           H        GLU  15  -0.363   6.732   2.226
   92    HA   GLU  15           HA       GLU  15  -0.862   7.875   4.920
   93   1HB   GLU  15          1HB       GLU  15  -0.677   9.455   2.844
   94   2HB   GLU  15          2HB       GLU  15  -2.235   8.783   2.402
   95   1HG   GLU  15          1HG       GLU  15  -2.598   9.357   5.113
   96   2HG   GLU  15          2HG       GLU  15  -1.431  10.594   4.657
   97    H    ASP  16           H        ASP  16  -3.716   8.069   3.602
   98    HA   ASP  16           HA       ASP  16  -4.935   5.861   4.939
   99   1HB   ASP  16          1HB       ASP  16  -5.904   8.126   4.012
  100   2HB   ASP  16          2HB       ASP  16  -6.166   7.215   2.520
  101    H    LEU  17           H        LEU  17  -3.658   6.194   1.707
  102    HA   LEU  17           HA       LEU  17  -4.528   3.677   0.609
  103   1HB   LEU  17          1HB       LEU  17  -3.837   5.112  -1.024
  104   2HB   LEU  17          2HB       LEU  17  -2.474   5.733  -0.104
  105    HG   LEU  17           HG       LEU  17  -1.093   3.895  -0.623
  106   1HD1  LEU  17          1HD1      LEU  17  -3.552   2.401  -1.292
  107   2HD1  LEU  17          2HD1      LEU  17  -2.229   2.149  -2.454
  108   3HD1  LEU  17          3HD1      LEU  17  -1.948   1.852  -0.763
  109   1HD2  LEU  17          1HD2      LEU  17  -2.035   5.648  -2.553
  110   2HD2  LEU  17          2HD2      LEU  17  -0.599   4.622  -2.662
  111   3HD2  LEU  17          3HD2      LEU  17  -2.133   4.092  -3.371
  112    H    ALA  18           H        ALA  18  -1.573   4.542   2.528
  113    HA   ALA  18           HA       ALA  18  -0.262   2.028   2.160
  114   1HB   ALA  18          1HB       ALA  18   1.281   3.150   3.326
  115   2HB   ALA  18          2HB       ALA  18   0.102   4.379   3.820
  116   3HB   ALA  18          3HB       ALA  18   0.315   2.920   4.789
  117    H    GLN  19           H        GLN  19  -2.856   3.023   4.335
  118    HA   GLN  19           HA       GLN  19  -2.998   0.554   5.827
  119   1HB   GLN  19          1HB       GLN  19  -4.021   2.986   6.306
  120   2HB   GLN  19          2HB       GLN  19  -5.406   2.325   5.415
  121   1HG   GLN  19          1HG       GLN  19  -5.294   0.299   6.987
  122   2HG   GLN  19          2HG       GLN  19  -4.062   1.186   7.903
  123   1HE2  GLN  19          1HE2      GLN  19  -5.058   1.815   9.823
  124   2HE2  GLN  19          2HE2      GLN  19  -6.649   2.597   9.819
  125    H    TYR  20           H        TYR  20  -4.769   1.801   2.952
  126    HA   TYR  20           HA       TYR  20  -6.530  -0.394   2.536
  127   1HB   TYR  20          1HB       TYR  20  -6.699   1.805   1.431
  128   2HB   TYR  20          2HB       TYR  20  -5.223   1.503   0.549
  129    HD1  TYR  20           HD1      TYR  20  -5.215   0.368  -1.537
  130    HD2  TYR  20           HD2      TYR  20  -8.687   0.216   1.015
  131    HE1  TYR  20           HE1      TYR  20  -6.536  -0.601  -3.394
  132    HE2  TYR  20           HE2      TYR  20 -10.005  -0.796  -0.859
  133    HH   TYR  20           HH       TYR  20  -8.757  -0.983  -4.119
  134    H    ALA  21           H        ALA  21  -3.331   0.257   1.096
  135    HA   ALA  21           HA       ALA  21  -3.125  -2.214  -0.374
  136   1HB   ALA  21          1HB       ALA  21  -0.691  -1.726  -0.430
  137   2HB   ALA  21          2HB       ALA  21  -1.671  -0.329  -0.875
  138   3HB   ALA  21          3HB       ALA  21  -0.929  -0.420   0.746
  139    H    ALA  22           H        ALA  22  -2.548  -1.456   3.014
  140    HA   ALA  22           HA       ALA  22  -1.195  -3.943   3.713
  141   1HB   ALA  22          1HB       ALA  22  -0.738  -2.706   5.544
  142   2HB   ALA  22          2HB       ALA  22  -1.919  -1.466   5.094
  143   3HB   ALA  22          3HB       ALA  22  -2.435  -2.855   6.029
  144    H    ASP  23           H        ASP  23  -4.567  -2.679   4.195
  145    HA   ASP  23           HA       ASP  23  -5.649  -5.025   5.293
  146   1HB   ASP  23          1HB       ASP  23  -6.650  -2.535   4.483
  147   2HB   ASP  23          2HB       ASP  23  -7.423  -3.627   3.353
  148    H    LEU  24           H        LEU  24  -5.280  -4.105   1.870
  149    HA   LEU  24           HA       LEU  24  -6.400  -6.584   0.858
  150   1HB   LEU  24          1HB       LEU  24  -4.555  -4.571  -0.494
  151   2HB   LEU  24          2HB       LEU  24  -5.351  -5.935  -1.273
  152    HG   LEU  24           HG       LEU  24  -6.502  -3.329  -0.331
  153   1HD1  LEU  24          1HD1      LEU  24  -7.830  -4.483  -2.612
  154   2HD1  LEU  24          2HD1      LEU  24  -6.807  -3.050  -2.509
  155   3HD1  LEU  24          3HD1      LEU  24  -6.083  -4.612  -2.850
  156   1HD2  LEU  24          1HD2      LEU  24  -8.824  -4.182  -0.486
  157   2HD2  LEU  24          2HD2      LEU  24  -8.186  -5.844  -0.493
  158   3HD2  LEU  24          3HD2      LEU  24  -7.958  -4.789   0.914
  159    H    ARG  25           H        ARG  25  -3.041  -5.617   1.584
  160    HA   ARG  25           HA       ARG  25  -1.810  -8.091   0.809
  161   1HB   ARG  25          1HB       ARG  25  -1.075  -5.654   2.334
  162   2HB   ARG  25          2HB       ARG  25  -0.345  -7.043   3.013
  163   1HG   ARG  25          1HG       ARG  25  -0.157  -6.969   0.036
  164   2HG   ARG  25          2HG       ARG  25   0.620  -5.600   0.836
  165   1HD   ARG  25          1HD       ARG  25   2.048  -6.962   2.110
  166   2HD   ARG  25          2HD       ARG  25   1.080  -8.423   1.844
  167    HE   ARG  25           HE       ARG  25   1.829  -7.887  -0.678
  168   1HH1  ARG  25          1HH1      ARG  25   3.750  -8.073   2.226
  169   2HH1  ARG  25          2HH1      ARG  25   5.183  -8.646   1.418
  170   1HH2  ARG  25          1HH2      ARG  25   3.616  -8.793  -1.696
  171   2HH2  ARG  25          2HH2      ARG  25   5.082  -9.040  -0.787
  172    H    HIS  26           H        HIS  26  -3.315  -7.123   3.850
  173    HA   HIS  26           HA       HIS  26  -2.588  -9.487   5.315
  174   1HB   HIS  26          1HB       HIS  26  -3.276  -7.267   6.290
  175   2HB   HIS  26          2HB       HIS  26  -4.934  -7.606   5.796
  176    HD2  HIS  26           HD2      HIS  26  -6.276  -9.504   7.209
  177    HE1  HIS  26           HE1      HIS  26  -3.296 -10.200  10.164
  178    H    TYR  27           H        TYR  27  -5.647  -8.483   3.698
  179    HA   TYR  27           HA       TYR  27  -7.121 -10.841   3.989
  180   1HB   TYR  27          1HB       TYR  27  -7.286  -8.458   2.361
  181   2HB   TYR  27          2HB       TYR  27  -7.519  -9.817   1.316
  182    HD1  TYR  27           HD1      TYR  27  -8.997  -7.776   3.885
  183    HD2  TYR  27           HD2      TYR  27  -9.302 -11.534   1.827
  184    HE1  TYR  27           HE1      TYR  27 -11.385  -7.967   4.583
  185    HE2  TYR  27           HE2      TYR  27 -11.675 -11.747   2.529
  186    HH   TYR  27           HH       TYR  27 -13.489 -10.495   3.363
  187    H    ILE  28           H        ILE  28  -5.002 -10.008   1.158
  188    HA   ILE  28           HA       ILE  28  -5.251 -12.481  -0.095
  189    HB   ILE  28           HB       ILE  28  -3.867 -10.156  -0.552
  190   2HG1  ILE  28          2HG1      ILE  28  -5.052 -11.875  -2.107
  191   1HG2  ILE  28          1HG2      ILE  28  -1.731 -12.305  -0.457
  192   2HG2  ILE  28          2HG2      ILE  28  -1.565 -10.721  -1.227
  193   3HG2  ILE  28          3HG2      ILE  28  -1.804 -10.824   0.509
  194   1HD1  ILE  28          1HD1      ILE  28  -4.090  -9.578  -2.712
  195   2HD1  ILE  28          2HD1      ILE  28  -2.664 -10.456  -3.305
  196   3HD1  ILE  28          3HD1      ILE  28  -4.266 -10.759  -4.011
  197    H    ASN  29           H        ASN  29  -2.815 -11.576   2.320
  198    HA   ASN  29           HA       ASN  29  -1.423 -14.017   2.462
  199   1HB   ASN  29          1HB       ASN  29  -1.615 -11.608   4.067
  200   2HB   ASN  29          2HB       ASN  29  -1.691 -12.976   5.142
  201   1HD2  ASN  29          1HD2      ASN  29   0.459 -10.942   4.748
  202   2HD2  ASN  29          2HD2      ASN  29   1.866 -11.983   4.462
  203    H    LEU  30           H        LEU  30  -4.266 -13.010   4.393
  204    HA   LEU  30           HA       LEU  30  -4.651 -15.464   5.800
  205   1HB   LEU  30          1HB       LEU  30  -6.092 -12.917   5.365
  206   2HB   LEU  30          2HB       LEU  30  -7.198 -14.260   5.541
  207    HG   LEU  30           HG       LEU  30  -4.927 -13.839   7.497
  208   1HD1  LEU  30          1HD1      LEU  30  -7.795 -12.870   7.860
  209   2HD1  LEU  30          2HD1      LEU  30  -6.382 -12.582   8.905
  210   3HD1  LEU  30          3HD1      LEU  30  -6.475 -11.833   7.310
  211   1HD2  LEU  30          1HD2      LEU  30  -6.185 -15.293   8.934
  212   2HD2  LEU  30          2HD2      LEU  30  -7.632 -15.179   7.925
  213   3HD2  LEU  30          3HD2      LEU  30  -6.225 -16.085   7.351
  214    H    ILE  31           H        ILE  31  -6.141 -14.282   2.800
  215    HA   ILE  31           HA       ILE  31  -7.765 -16.534   2.207
  216    HB   ILE  31           HB       ILE  31  -6.336 -14.519   0.436
  217   2HG1  ILE  31          2HG1      ILE  31  -8.671 -13.701  -0.013
  218   1HG2  ILE  31          1HG2      ILE  31  -7.604 -17.001  -0.406
  219   2HG2  ILE  31          2HG2      ILE  31  -8.342 -15.590  -1.175
  220   3HG2  ILE  31          3HG2      ILE  31  -6.601 -15.879  -1.307
  221   1HD1  ILE  31          1HD1      ILE  31  -9.458 -14.975   2.619
  222   2HD1  ILE  31          2HD1      ILE  31 -10.482 -14.172   1.416
  223   3HD1  ILE  31          3HD1      ILE  31  -9.840 -15.797   1.081
  224    H    THR  32           H        THR  32  -4.366 -15.902   1.027
  225    HA   THR  32           HA       THR  32  -4.029 -18.580   0.078
  226    HB   THR  32           HB       THR  32  -1.572 -18.125   0.334
  227    HG1  THR  32           HG1      THR  32  -2.102 -16.322   2.025
  228   1HG2  THR  32          1HG2      THR  32  -2.034 -17.565  -1.798
  229   2HG2  THR  32          2HG2      THR  32  -3.555 -16.768  -1.385
  230   3HG2  THR  32          3HG2      THR  32  -2.037 -15.874  -1.260
  231    H    ARG  33           H        ARG  33  -3.743 -17.322   3.369
  232    HA   ARG  33           HA       ARG  33  -2.667 -19.782   4.396
  233   1HB   ARG  33          1HB       ARG  33  -2.783 -17.230   5.412
  234   2HB   ARG  33          2HB       ARG  33  -4.090 -18.001   6.302
  235   1HG   ARG  33          1HG       ARG  33  -2.199 -19.926   6.581
  236   2HG   ARG  33          2HG       ARG  33  -1.117 -18.569   6.256
  237   1HD   ARG  33          1HD       ARG  33  -3.276 -18.632   8.414
  238   2HD   ARG  33          2HD       ARG  33  -1.575 -19.061   8.671
  239    HE   ARG  33           HE       ARG  33  -1.970 -16.402   7.513
  240   1HH1  ARG  33          1HH1      ARG  33  -1.724 -18.197  10.491
  241   2HH1  ARG  33          2HH1      ARG  33  -1.176 -16.822  11.413
  242   1HH2  ARG  33          1HH2      ARG  33  -1.290 -14.640   8.727
  243   2HH2  ARG  33          2HH2      ARG  33  -0.858 -14.852  10.400
  244    H    GLN  34           H        GLN  34  -5.602 -19.275   3.217
  245    HA   GLN  34           HA       GLN  34  -6.787 -21.607   4.623
  246   1HB   GLN  34          1HB       GLN  34  -7.378 -19.222   5.655
  247   2HB   GLN  34          2HB       GLN  34  -8.501 -19.145   4.301
  248   1HG   GLN  34          1HG       GLN  34  -9.939 -20.275   5.651
  249   2HG   GLN  34          2HG       GLN  34  -8.981 -21.711   5.339
  250   1HE2  GLN  34          1HE2      GLN  34  -7.744 -22.618   7.115
  251   2HE2  GLN  34          2HE2      GLN  34  -7.783 -21.795   8.683
  252    H    ARG  35           H        ARG  35  -5.882 -20.819   1.784
  253    HA   ARG  35           HA       ARG  35  -8.328 -21.679   0.283
  254   1HB   ARG  35          1HB       ARG  35  -6.173 -19.739  -0.266
  255   2HB   ARG  35          2HB       ARG  35  -6.353 -20.860  -1.572
  256   1HG   ARG  35          1HG       ARG  35  -7.739 -18.818  -1.804
  257   2HG   ARG  35          2HG       ARG  35  -8.638 -20.331  -1.917
  258   1HD   ARG  35          1HD       ARG  35  -9.664 -20.024   0.241
  259   2HD   ARG  35          2HD       ARG  35  -8.491 -18.803   0.707
  260    HE   ARG  35           HE       ARG  35  -9.825 -17.216  -0.194
  261   1HH1  ARG  35          1HH1      ARG  35 -10.701 -20.151  -1.842
  262   2HH1  ARG  35          2HH1      ARG  35 -11.736 -19.351  -3.006
  263   1HH2  ARG  35          1HH2      ARG  35 -11.273 -16.211  -1.566
  264   2HH2  ARG  35          2HH2      ARG  35 -12.135 -17.150  -2.752
  265    H    TYR  36           H        TYR  36  -5.650 -23.048   1.493
  266    HA   TYR  36           HA       TYR  36  -5.625 -25.251  -0.522
  267   1HB   TYR  36          1HB       TYR  36  -3.291 -25.437  -0.280
  268   2HB   TYR  36          2HB       TYR  36  -3.605 -23.727  -0.505
  269    HD1  TYR  36           HD1      TYR  36  -2.012 -26.183   1.564
  270    HD2  TYR  36           HD2      TYR  36  -3.749 -22.251   1.646
  271    HE1  TYR  36           HE1      TYR  36  -0.765 -25.659   3.686
  272    HE2  TYR  36           HE2      TYR  36  -2.551 -21.753   3.747
  273    HH   TYR  36           HH       TYR  36  -1.090 -22.520   5.341
  274   1HN   NH2  37          1HN       NH2  37  -7.068 -24.749   2.308
  275   2HN   NH2  37          2HN       NH2  37  -6.608 -26.258   3.112
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1 -16.055  17.033 -11.915
    2   2H    TYR   1          2H        TYR   1 -14.979  16.338 -10.877
    3   3H    TYR   1          3H        TYR   1 -16.299  15.496 -11.391
    4    HA   TYR   1           HA       TYR   1 -16.443  17.963  -9.818
    5   1HB   TYR   1          1HB       TYR   1 -18.463  16.349 -11.146
    6   2HB   TYR   1          2HB       TYR   1 -18.753  16.377  -9.418
    7    HD1  TYR   1           HD1      TYR   1 -18.033  18.685 -12.310
    8    HD2  TYR   1           HD2      TYR   1 -19.884  18.175  -8.421
    9    HE1  TYR   1           HE1      TYR   1 -19.075  20.935 -12.485
   10    HE2  TYR   1           HE2      TYR   1 -20.926  20.424  -8.638
   11    HH   TYR   1           HH       TYR   1 -20.315  22.618  -9.944
   12    HA   PRO   2           HA       PRO   2 -16.781  14.696  -6.461
   13   1HB   PRO   2          1HB       PRO   2 -16.420  11.988  -6.996
   14   2HB   PRO   2          2HB       PRO   2 -17.991  12.834  -6.952
   15   1HG   PRO   2          1HG       PRO   2 -16.432  11.900  -9.321
   16   2HG   PRO   2          2HG       PRO   2 -18.192  12.170  -9.143
   17   1HD   PRO   2          1HD       PRO   2 -16.304  13.881 -10.378
   18   2HD   PRO   2          2HD       PRO   2 -17.999  14.270  -9.986
   19    H    SER   3           H        SER   3 -14.536  13.178  -8.825
   20    HA   SER   3           HA       SER   3 -12.167  14.290  -7.739
   21   1HB   SER   3          1HB       SER   3 -11.107  12.207  -6.916
   22   2HB   SER   3          2HB       SER   3 -12.511  12.618  -5.939
   23    HG   SER   3           HG       SER   3 -13.577  11.127  -7.678
   24    H    LYS   4           H        LYS   4 -10.260  13.366  -8.913
   25    HA   LYS   4           HA       LYS   4 -10.794  11.605 -11.220
   26   1HB   LYS   4          1HB       LYS   4 -10.296  14.512 -11.438
   27   2HB   LYS   4          2HB       LYS   4  -9.166  13.587 -12.380
   28   1HG   LYS   4          1HG       LYS   4 -12.048  12.767 -12.664
   29   2HG   LYS   4          2HG       LYS   4 -11.603  14.358 -13.266
   30   1HD   LYS   4          1HD       LYS   4 -11.372  12.845 -15.104
   31   2HD   LYS   4          2HD       LYS   4  -9.755  13.332 -14.590
   32   1HE   LYS   4          1HE       LYS   4  -9.787  11.158 -13.146
   33   2HE   LYS   4          2HE       LYS   4 -11.171  10.674 -14.134
   34   1HZ   LYS   4          1HZ       LYS   4  -8.578  11.497 -15.311
   35   2HZ   LYS   4          2HZ       LYS   4  -8.859   9.951 -14.881
   36   3HZ   LYS   4          3HZ       LYS   4  -9.781  10.652 -16.051
   37    HA   PRO   5           HA       PRO   5  -6.833  10.742  -8.991
   38   1HB   PRO   5          1HB       PRO   5  -7.351   8.103  -8.346
   39   2HB   PRO   5          2HB       PRO   5  -7.716   9.499  -7.295
   40   1HG   PRO   5          1HG       PRO   5  -9.605   7.842  -8.906
   41   2HG   PRO   5          2HG       PRO   5  -9.899   8.783  -7.418
   42   1HD   PRO   5          1HD       PRO   5 -10.512   9.546 -10.093
   43   2HD   PRO   5          2HD       PRO   5 -10.600  10.566  -8.640
   44    H    ASP   6           H        ASP   6  -5.135   9.815  -9.985
   45    HA   ASP   6           HA       ASP   6  -5.530   8.286 -12.549
   46   1HB   ASP   6          1HB       ASP   6  -3.869  10.682 -11.864
   47   2HB   ASP   6          2HB       ASP   6  -3.031   9.428 -12.759
   48    H    ASN   7           H        ASN   7  -3.154   8.909  -9.940
   49    HA   ASN   7           HA       ASN   7  -2.239   6.098 -10.144
   50   1HB   ASN   7          1HB       ASN   7  -0.073   6.998  -9.154
   51   2HB   ASN   7          2HB       ASN   7  -0.413   7.432 -10.826
   52   1HD2  ASN   7          1HD2      ASN   7  -0.169   9.593 -11.343
   53   2HD2  ASN   7          2HD2      ASN   7  -0.110  10.855 -10.101
   54    HA   PRO   8           HA       PRO   8  -3.502   5.835  -5.860
   55   1HB   PRO   8          1HB       PRO   8  -1.921   3.742  -4.978
   56   2HB   PRO   8          2HB       PRO   8  -3.363   3.542  -6.010
   57   1HG   PRO   8          1HG       PRO   8  -0.467   3.391  -6.775
   58   2HG   PRO   8          2HG       PRO   8  -1.880   2.553  -7.483
   59   1HD   PRO   8          1HD       PRO   8  -0.586   4.870  -8.477
   60   2HD   PRO   8          2HD       PRO   8  -2.161   4.223  -9.018
   61    H    GLY   9           H        GLY   9  -2.826   6.397  -3.788
   62   1HA   GLY   9          1HA       GLY   9  -0.469   6.377  -2.452
   63   2HA   GLY   9          2HA       GLY   9  -0.226   7.772  -3.515
   64    H    GLU  10           H        GLU  10  -2.189   9.204  -3.640
   65    HA   GLU  10           HA       GLU  10  -3.396  10.891  -2.737
   66   1HB   GLU  10          1HB       GLU  10  -4.438   8.491  -1.250
   67   2HB   GLU  10          2HB       GLU  10  -4.950  10.100  -0.778
   68   1HG   GLU  10          1HG       GLU  10  -6.541   9.171  -2.328
   69   2HG   GLU  10          2HG       GLU  10  -5.776  10.616  -2.968
   70    H    ASP  11           H        ASP  11  -2.233  12.464  -1.940
   71    HA   ASP  11           HA       ASP  11  -0.988  13.774  -0.583
   72   1HB   ASP  11          1HB       ASP  11  -3.059  13.681   0.804
   73   2HB   ASP  11          2HB       ASP  11  -2.358  12.357   1.735
   74    H    ALA  12           H        ALA  12   1.046  13.066  -1.109
   75    HA   ALA  12           HA       ALA  12   3.067  12.078  -0.997
   76   1HB   ALA  12          1HB       ALA  12   2.297  11.808   1.900
   77   2HB   ALA  12          2HB       ALA  12   3.863  11.301   1.316
   78   3HB   ALA  12          3HB       ALA  12   3.350  12.990   1.140
   79    HA   PRO  13           HA       PRO  13   2.613   7.776  -1.851
   80   1HB   PRO  13          1HB       PRO  13   5.187   6.815  -1.776
   81   2HB   PRO  13          2HB       PRO  13   4.539   7.852  -3.072
   82   1HG   PRO  13          1HG       PRO  13   6.377   8.586  -0.830
   83   2HG   PRO  13          2HG       PRO  13   6.242   9.293  -2.458
   84   1HD   PRO  13          1HD       PRO  13   5.157  10.314  -0.046
   85   2HD   PRO  13          2HD       PRO  13   4.784  10.887  -1.699
   86    H    ALA  14           H        ALA  14   1.544   6.648  -0.431
   87    HA   ALA  14           HA       ALA  14   1.092   5.049   1.107
   88   1HB   ALA  14          1HB       ALA  14   4.017   5.001   1.901
   89   2HB   ALA  14          2HB       ALA  14   2.804   3.762   2.198
   90   3HB   ALA  14          3HB       ALA  14   3.324   4.094   0.540
   91    H    GLU  15           H        GLU  15   0.479   7.667   1.685
   92    HA   GLU  15           HA       GLU  15   0.897   7.803   4.628
   93   1HB   GLU  15          1HB       GLU  15   1.324   9.679   2.525
   94   2HB   GLU  15          2HB       GLU  15  -0.084  10.237   3.435
   95   1HG   GLU  15          1HG       GLU  15   1.340  11.235   4.800
   96   2HG   GLU  15          2HG       GLU  15   1.686   9.655   5.487
   97    H    ASP  16           H        ASP  16  -1.396   7.106   2.503
   98    HA   ASP  16           HA       ASP  16  -3.638   7.204   4.482
   99   1HB   ASP  16          1HB       ASP  16  -3.558   8.671   1.869
  100   2HB   ASP  16          2HB       ASP  16  -4.988   7.694   2.107
  101    H    LEU  17           H        LEU  17  -3.135   6.292   1.032
  102    HA   LEU  17           HA       LEU  17  -4.616   3.888   1.171
  103   1HB   LEU  17          1HB       LEU  17  -4.339   4.033  -1.002
  104   2HB   LEU  17          2HB       LEU  17  -3.261   5.368  -0.788
  105    HG   LEU  17           HG       LEU  17  -2.259   3.919  -2.267
  106   1HD1  LEU  17          1HD1      LEU  17  -0.568   2.988   0.009
  107   2HD1  LEU  17          2HD1      LEU  17  -0.142   3.823  -1.469
  108   3HD1  LEU  17          3HD1      LEU  17  -0.854   4.736  -0.143
  109   1HD2  LEU  17          1HD2      LEU  17  -2.059   1.495  -0.594
  110   2HD2  LEU  17          2HD2      LEU  17  -3.641   1.871  -1.273
  111   3HD2  LEU  17          3HD2      LEU  17  -2.234   1.657  -2.326
  112    H    ALA  18           H        ALA  18  -1.514   4.497   2.503
  113    HA   ALA  18           HA       ALA  18  -0.228   1.998   2.453
  114   1HB   ALA  18          1HB       ALA  18   1.119   3.445   3.556
  115   2HB   ALA  18          2HB       ALA  18  -0.217   4.404   4.208
  116   3HB   ALA  18          3HB       ALA  18   0.289   2.902   5.003
  117    H    GLN  19           H        GLN  19  -3.080   2.978   4.297
  118    HA   GLN  19           HA       GLN  19  -3.184   0.533   5.871
  119   1HB   GLN  19          1HB       GLN  19  -4.129   2.980   6.262
  120   2HB   GLN  19          2HB       GLN  19  -5.545   2.373   5.423
  121   1HG   GLN  19          1HG       GLN  19  -6.182   1.050   7.183
  122   2HG   GLN  19          2HG       GLN  19  -4.539   0.530   7.539
  123   1HE2  GLN  19          1HE2      GLN  19  -4.982   0.785   9.884
  124   2HE2  GLN  19          2HE2      GLN  19  -4.981   2.441  10.495
  125    H    TYR  20           H        TYR  20  -4.706   1.685   2.880
  126    HA   TYR  20           HA       TYR  20  -6.582  -0.480   2.450
  127   1HB   TYR  20          1HB       TYR  20  -6.820   1.642   1.304
  128   2HB   TYR  20          2HB       TYR  20  -5.245   1.523   0.590
  129    HD1  TYR  20           HD1      TYR  20  -4.724  -0.042  -1.278
  130    HD2  TYR  20           HD2      TYR  20  -8.718   0.383   0.296
  131    HE1  TYR  20           HE1      TYR  20  -5.635  -1.073  -3.325
  132    HE2  TYR  20           HE2      TYR  20  -9.630  -0.656  -1.772
  133    HH   TYR  20           HH       TYR  20  -9.126  -1.341  -3.892
  134    H    ALA  21           H        ALA  21  -3.360   0.222   1.043
  135    HA   ALA  21           HA       ALA  21  -3.154  -2.244  -0.418
  136   1HB   ALA  21          1HB       ALA  21  -0.624  -1.820  -0.260
  137   2HB   ALA  21          2HB       ALA  21  -1.595  -0.577  -1.039
  138   3HB   ALA  21          3HB       ALA  21  -1.029  -0.345   0.643
  139    H    ALA  22           H        ALA  22  -2.519  -1.474   2.930
  140    HA   ALA  22           HA       ALA  22  -1.237  -3.992   3.661
  141   1HB   ALA  22          1HB       ALA  22  -0.681  -2.376   5.206
  142   2HB   ALA  22          2HB       ALA  22  -2.271  -1.579   5.141
  143   3HB   ALA  22          3HB       ALA  22  -2.090  -3.089   6.028
  144    H    ASP  23           H        ASP  23  -4.597  -2.650   4.182
  145    HA   ASP  23           HA       ASP  23  -5.767  -4.966   5.233
  146   1HB   ASP  23          1HB       ASP  23  -6.704  -2.570   3.699
  147   2HB   ASP  23          2HB       ASP  23  -7.738  -3.972   3.531
  148    H    LEU  24           H        LEU  24  -5.253  -4.125   1.811
  149    HA   LEU  24           HA       LEU  24  -6.411  -6.610   0.848
  150   1HB   LEU  24          1HB       LEU  24  -4.533  -4.676  -0.561
  151   2HB   LEU  24          2HB       LEU  24  -5.360  -6.041  -1.295
  152    HG   LEU  24           HG       LEU  24  -6.416  -3.352  -0.504
  153   1HD1  LEU  24          1HD1      LEU  24  -7.974  -4.095  -2.538
  154   2HD1  LEU  24          2HD1      LEU  24  -6.325  -3.526  -2.777
  155   3HD1  LEU  24          3HD1      LEU  24  -6.682  -5.258  -2.813
  156   1HD2  LEU  24          1HD2      LEU  24  -8.767  -4.071  -0.426
  157   2HD2  LEU  24          2HD2      LEU  24  -8.241  -5.770  -0.330
  158   3HD2  LEU  24          3HD2      LEU  24  -7.855  -4.609   0.967
  159    H    ARG  25           H        ARG  25  -2.984  -5.641   1.340
  160    HA   ARG  25           HA       ARG  25  -1.776  -8.128   0.683
  161   1HB   ARG  25          1HB       ARG  25  -1.041  -5.662   2.169
  162   2HB   ARG  25          2HB       ARG  25  -0.286  -7.022   2.846
  163   1HG   ARG  25          1HG       ARG  25  -0.138  -6.906  -0.156
  164   2HG   ARG  25          2HG       ARG  25   0.650  -5.589   0.693
  165   1HD   ARG  25          1HD       ARG  25   2.406  -6.848   1.129
  166   2HD   ARG  25          2HD       ARG  25   1.433  -7.935   2.118
  167    HE   ARG  25           HE       ARG  25   0.944  -8.828  -0.434
  168   1HH1  ARG  25          1HH1      ARG  25   3.859  -8.316   1.387
  169   2HH1  ARG  25          2HH1      ARG  25   4.764  -9.568   0.584
  170   1HH2  ARG  25          1HH2      ARG  25   2.111 -10.454  -1.486
  171   2HH2  ARG  25          2HH2      ARG  25   3.779 -10.704  -1.098
  172    H    HIS  26           H        HIS  26  -3.294  -7.134   3.699
  173    HA   HIS  26           HA       HIS  26  -2.496  -9.447   5.232
  174   1HB   HIS  26          1HB       HIS  26  -3.209  -7.108   6.078
  175   2HB   HIS  26          2HB       HIS  26  -4.865  -7.609   5.771
  176    HD2  HIS  26           HD2      HIS  26  -5.967  -9.199   7.651
  177    HE1  HIS  26           HE1      HIS  26  -2.518  -9.716  10.098
  178    H    TYR  27           H        TYR  27  -5.644  -8.452   3.748
  179    HA   TYR  27           HA       TYR  27  -7.076 -10.832   4.099
  180   1HB   TYR  27          1HB       TYR  27  -7.223  -8.515   2.267
  181   2HB   TYR  27          2HB       TYR  27  -7.757  -9.988   1.516
  182    HD1  TYR  27           HD1      TYR  27  -9.534 -11.419   2.601
  183    HD2  TYR  27           HD2      TYR  27  -8.673  -7.386   3.861
  184    HE1  TYR  27           HE1      TYR  27 -11.808 -11.255   3.620
  185    HE2  TYR  27           HE2      TYR  27 -10.950  -7.233   4.890
  186    HH   TYR  27           HH       TYR  27 -13.418  -8.915   4.132
  187    H    ILE  28           H        ILE  28  -5.130 -10.021   1.160
  188    HA   ILE  28           HA       ILE  28  -5.393 -12.475  -0.095
  189    HB   ILE  28           HB       ILE  28  -4.080 -10.121  -0.563
  190   2HG1  ILE  28          2HG1      ILE  28  -5.332 -11.709  -2.115
  191   1HG2  ILE  28          1HG2      ILE  28  -1.902 -12.223  -0.642
  192   2HG2  ILE  28          2HG2      ILE  28  -1.806 -10.586  -1.305
  193   3HG2  ILE  28          3HG2      ILE  28  -1.976 -10.795   0.421
  194   1HD1  ILE  28          1HD1      ILE  28  -2.867 -10.379  -3.288
  195   2HD1  ILE  28          2HD1      ILE  28  -4.400 -10.751  -4.093
  196   3HD1  ILE  28          3HD1      ILE  28  -4.357  -9.522  -2.814
  197    H    ASN  29           H        ASN  29  -2.963 -11.625   2.286
  198    HA   ASN  29           HA       ASN  29  -1.481 -14.073   2.334
  199   1HB   ASN  29          1HB       ASN  29  -1.669 -11.631   3.957
  200   2HB   ASN  29          2HB       ASN  29  -1.509 -13.011   4.991
  201   1HD2  ASN  29          1HD2      ASN  29   0.175 -10.879   2.917
  202   2HD2  ASN  29          2HD2      ASN  29   1.720 -11.786   3.055
  203    H    LEU  30           H        LEU  30  -4.093 -13.023   4.518
  204    HA   LEU  30           HA       LEU  30  -4.516 -15.708   5.618
  205   1HB   LEU  30          1HB       LEU  30  -5.585 -12.919   6.080
  206   2HB   LEU  30          2HB       LEU  30  -6.458 -14.283   6.750
  207    HG   LEU  30           HG       LEU  30  -3.470 -13.945   7.241
  208   1HD1  LEU  30          1HD1      LEU  30  -5.812 -12.727   8.719
  209   2HD1  LEU  30          2HD1      LEU  30  -4.216 -12.979   9.472
  210   3HD1  LEU  30          3HD1      LEU  30  -4.365 -11.956   8.042
  211   1HD2  LEU  30          1HD2      LEU  30  -4.372 -15.243   9.402
  212   2HD2  LEU  30          2HD2      LEU  30  -5.646 -15.749   8.279
  213   3HD2  LEU  30          3HD2      LEU  30  -3.943 -16.092   7.920
  214    H    ILE  31           H        ILE  31  -4.943 -15.174   2.751
  215    HA   ILE  31           HA       ILE  31  -7.655 -16.395   2.464
  216    HB   ILE  31           HB       ILE  31  -6.361 -14.179   0.888
  217   2HG1  ILE  31          2HG1      ILE  31  -8.239 -12.951   1.334
  218   1HG2  ILE  31          1HG2      ILE  31  -6.765 -15.627  -0.908
  219   2HG2  ILE  31          2HG2      ILE  31  -8.324 -16.138  -0.218
  220   3HG2  ILE  31          3HG2      ILE  31  -8.129 -14.502  -0.883
  221   1HD1  ILE  31          1HD1      ILE  31 -10.409 -13.968   2.243
  222   2HD1  ILE  31          2HD1      ILE  31 -10.099 -14.128   0.503
  223   3HD1  ILE  31          3HD1      ILE  31  -9.831 -15.518   1.590
  224    H    THR  32           H        THR  32  -4.382 -16.011   0.859
  225    HA   THR  32           HA       THR  32  -4.638 -18.269  -0.804
  226    HB   THR  32           HB       THR  32  -2.103 -18.367  -0.696
  227    HG1  THR  32           HG1      THR  32  -2.088 -17.283   1.484
  228   1HG2  THR  32          1HG2      THR  32  -3.259 -17.068  -2.406
  229   2HG2  THR  32          2HG2      THR  32  -3.457 -15.702  -1.294
  230   3HG2  THR  32          3HG2      THR  32  -1.841 -16.172  -1.822
  231    H    ARG  33           H        ARG  33  -3.904 -18.233   2.620
  232    HA   ARG  33           HA       ARG  33  -3.304 -21.120   2.721
  233   1HB   ARG  33          1HB       ARG  33  -3.393 -18.840   4.710
  234   2HB   ARG  33          2HB       ARG  33  -3.335 -20.506   5.304
  235   1HG   ARG  33          1HG       ARG  33  -1.234 -20.950   4.365
  236   2HG   ARG  33          2HG       ARG  33  -1.356 -19.654   3.187
  237   1HD   ARG  33          1HD       ARG  33  -0.045 -18.427   4.492
  238   2HD   ARG  33          2HD       ARG  33  -1.430 -18.213   5.542
  239    HE   ARG  33           HE       ARG  33  -0.456 -19.603   7.127
  240   1HH1  ARG  33          1HH1      ARG  33   1.295 -20.061   4.138
  241   2HH1  ARG  33          2HH1      ARG  33   2.574 -20.991   4.885
  242   1HH2  ARG  33          1HH2      ARG  33   1.199 -20.788   8.054
  243   2HH2  ARG  33          2HH2      ARG  33   2.521 -21.365   7.077
  244    H    GLN  34           H        GLN  34  -6.067 -19.655   2.195
  245    HA   GLN  34           HA       GLN  34  -7.675 -21.898   3.179
  246   1HB   GLN  34          1HB       GLN  34  -7.458 -20.251   5.073
  247   2HB   GLN  34          2HB       GLN  34  -8.368 -19.080   4.125
  248   1HG   GLN  34          1HG       GLN  34 -10.363 -20.220   4.431
  249   2HG   GLN  34          2HG       GLN  34  -9.602 -21.810   4.385
  250   1HE2  GLN  34          1HE2      GLN  34  -8.600 -22.683   6.343
  251   2HE2  GLN  34          2HE2      GLN  34  -9.148 -21.989   7.877
  252    H    ARG  35           H        ARG  35  -6.956 -20.770   0.541
  253    HA   ARG  35           HA       ARG  35  -9.592 -19.896  -0.519
  254   1HB   ARG  35          1HB       ARG  35  -6.946 -19.065  -1.055
  255   2HB   ARG  35          2HB       ARG  35  -7.398 -19.968  -2.471
  256   1HG   ARG  35          1HG       ARG  35  -9.134 -17.783  -1.233
  257   2HG   ARG  35          2HG       ARG  35  -7.935 -17.498  -2.524
  258   1HD   ARG  35          1HD       ARG  35  -9.213 -19.317  -3.818
  259   2HD   ARG  35          2HD       ARG  35 -10.498 -19.125  -2.614
  260    HE   ARG  35           HE       ARG  35 -10.012 -16.549  -3.443
  261   1HH1  ARG  35          1HH1      ARG  35 -10.815 -19.481  -5.127
  262   2HH1  ARG  35          2HH1      ARG  35 -11.626 -18.709  -6.443
  263   1HH2  ARG  35          1HH2      ARG  35 -11.073 -15.497  -5.130
  264   2HH2  ARG  35          2HH2      ARG  35 -11.846 -16.445  -6.368
  265    H    TYR  36           H        TYR  36  -8.081 -22.713  -0.101
  266    HA   TYR  36           HA       TYR  36  -9.324 -24.133  -2.404
  267   1HB   TYR  36          1HB       TYR  36  -7.354 -25.729  -2.002
  268   2HB   TYR  36          2HB       TYR  36  -7.041 -24.174  -2.736
  269    HD1  TYR  36           HD1      TYR  36  -7.296 -25.303   0.882
  270    HD2  TYR  36           HD2      TYR  36  -4.936 -23.361  -2.169
  271    HE1  TYR  36           HE1      TYR  36  -5.543 -24.799   2.551
  272    HE2  TYR  36           HE2      TYR  36  -3.170 -22.888  -0.485
  273    HH   TYR  36           HH       TYR  36  -3.414 -24.048   2.876
  274   1HN   NH2  37          1HN       NH2  37 -10.500 -23.524   0.376
  275   2HN   NH2  37          2HN       NH2  37 -10.719 -25.118   1.096
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1 -14.571 -11.867 -27.639
    2   2H    TYR   1          2H        TYR   1 -13.375 -10.736 -27.597
    3   3H    TYR   1          3H        TYR   1 -13.037 -12.270 -28.086
    4    HA   TYR   1           HA       TYR   1 -14.077 -11.739 -25.416
    5   1HB   TYR   1          1HB       TYR   1 -14.095 -13.979 -25.442
    6   2HB   TYR   1          2HB       TYR   1 -13.039 -14.090 -26.836
    7    HD1  TYR   1           HD1      TYR   1 -12.676 -12.990 -23.204
    8    HD2  TYR   1           HD2      TYR   1 -11.055 -15.292 -26.498
    9    HE1  TYR   1           HE1      TYR   1 -10.737 -13.620 -21.818
   10    HE2  TYR   1           HE2      TYR   1  -9.107 -15.909 -25.091
   11    HH   TYR   1           HH       TYR   1  -8.918 -15.061 -21.652
   12    HA   PRO   2           HA       PRO   2  -9.557 -11.051 -24.578
   13   1HB   PRO   2          1HB       PRO   2  -7.655 -10.886 -26.590
   14   2HB   PRO   2          2HB       PRO   2  -8.083 -12.378 -25.702
   15   1HG   PRO   2          1HG       PRO   2  -8.785 -11.605 -28.492
   16   2HG   PRO   2          2HG       PRO   2  -8.688 -13.229 -27.746
   17   1HD   PRO   2          1HD       PRO   2 -11.013 -11.631 -28.247
   18   2HD   PRO   2          2HD       PRO   2 -10.944 -13.213 -27.437
   19    H    SER   3           H        SER   3  -8.586  -9.083 -24.302
   20    HA   SER   3           HA       SER   3  -9.010  -6.858 -26.186
   21   1HB   SER   3          1HB       SER   3 -10.000  -6.555 -23.318
   22   2HB   SER   3          2HB       SER   3 -10.043  -5.356 -24.615
   23    HG   SER   3           HG       SER   3 -11.564  -7.752 -24.418
   24    H    LYS   4           H        LYS   4  -8.080  -7.585 -22.809
   25    HA   LYS   4           HA       LYS   4  -6.431  -6.912 -21.448
   26   1HB   LYS   4          1HB       LYS   4  -5.134  -7.963 -23.805
   27   2HB   LYS   4          2HB       LYS   4  -4.171  -6.643 -23.188
   28   1HG   LYS   4          1HG       LYS   4  -4.567  -7.821 -20.831
   29   2HG   LYS   4          2HG       LYS   4  -4.894  -9.243 -21.835
   30   1HD   LYS   4          1HD       LYS   4  -2.406  -7.482 -21.986
   31   2HD   LYS   4          2HD       LYS   4  -2.489  -8.986 -21.070
   32   1HE   LYS   4          1HE       LYS   4  -2.586 -10.342 -22.973
   33   2HE   LYS   4          2HE       LYS   4  -3.253  -9.051 -23.980
   34   1HZ   LYS   4          1HZ       LYS   4  -0.802  -8.103 -23.219
   35   2HZ   LYS   4          2HZ       LYS   4  -0.516  -9.697 -23.534
   36   3HZ   LYS   4          3HZ       LYS   4  -1.189  -8.744 -24.691
   37    HA   PRO   5           HA       PRO   5  -6.941  -2.512 -22.679
   38   1HB   PRO   5          1HB       PRO   5  -8.193  -1.674 -20.339
   39   2HB   PRO   5          2HB       PRO   5  -9.032  -2.256 -21.806
   40   1HG   PRO   5          1HG       PRO   5  -8.603  -3.664 -19.213
   41   2HG   PRO   5          2HG       PRO   5  -9.889  -3.889 -20.433
   42   1HD   PRO   5          1HD       PRO   5  -7.564  -5.485 -20.054
   43   2HD   PRO   5          2HD       PRO   5  -8.716  -5.593 -21.409
   44    H    ASP   6           H        ASP   6  -6.056  -0.573 -21.597
   45    HA   ASP   6           HA       ASP   6  -3.969  -1.160 -19.581
   46   1HB   ASP   6          1HB       ASP   6  -2.556   0.547 -20.715
   47   2HB   ASP   6          2HB       ASP   6  -2.802  -0.931 -21.636
   48    H    ASN   7           H        ASN   7  -3.358   0.769 -18.373
   49    HA   ASN   7           HA       ASN   7  -4.749   3.177 -18.333
   50   1HB   ASN   7          1HB       ASN   7  -5.973   2.934 -16.131
   51   2HB   ASN   7          2HB       ASN   7  -6.740   2.173 -17.505
   52   1HD2  ASN   7          1HD2      ASN   7  -6.523  -0.180 -17.738
   53   2HD2  ASN   7          2HD2      ASN   7  -6.322  -1.142 -16.253
   54    HA   PRO   8           HA       PRO   8  -1.097   3.522 -15.643
   55   1HB   PRO   8          1HB       PRO   8  -1.223   6.265 -15.176
   56   2HB   PRO   8          2HB       PRO   8  -0.518   5.492 -16.620
   57   1HG   PRO   8          1HG       PRO   8  -3.126   6.919 -16.350
   58   2HG   PRO   8          2HG       PRO   8  -2.097   6.680 -17.795
   59   1HD   PRO   8          1HD       PRO   8  -4.443   5.221 -17.065
   60   2HD   PRO   8          2HD       PRO   8  -3.315   4.859 -18.403
   61    H    GLY   9           H        GLY   9  -0.784   4.887 -13.422
   62   1HA   GLY   9          1HA       GLY   9  -2.554   3.746 -11.467
   63   2HA   GLY   9          2HA       GLY   9  -1.262   4.921 -11.165
   64    H    GLU  10           H        GLU  10  -1.757   7.096 -11.063
   65    HA   GLU  10           HA       GLU  10  -3.694   8.733 -11.866
   66   1HB   GLU  10          1HB       GLU  10  -4.985   6.954  -9.833
   67   2HB   GLU  10          2HB       GLU  10  -5.233   8.651  -9.576
   68   1HG   GLU  10          1HG       GLU  10  -5.643   7.873 -12.421
   69   2HG   GLU  10          2HG       GLU  10  -6.706   7.040 -11.301
   70    H    ASP  11           H        ASP  11  -2.050   7.693  -8.964
   71    HA   ASP  11           HA       ASP  11  -0.656  10.139  -8.523
   72   1HB   ASP  11          1HB       ASP  11  -2.773  11.088  -7.801
   73   2HB   ASP  11          2HB       ASP  11  -3.129   9.708  -6.784
   74    H    ALA  12           H        ALA  12  -2.252   7.629  -6.644
   75    HA   ALA  12           HA       ALA  12  -1.642   5.977  -5.239
   76   1HB   ALA  12          1HB       ALA  12   1.214   6.191  -6.210
   77   2HB   ALA  12          2HB       ALA  12   0.417   4.813  -5.427
   78   3HB   ALA  12          3HB       ALA  12  -0.061   5.304  -7.067
   79    HA   PRO  13           HA       PRO  13  -0.142   9.390  -2.498
   80   1HB   PRO  13          1HB       PRO  13  -2.408   9.780  -0.953
   81   2HB   PRO  13          2HB       PRO  13  -2.042  10.618  -2.483
   82   1HG   PRO  13          1HG       PRO  13  -3.961   8.383  -1.983
   83   2HG   PRO  13          2HG       PRO  13  -4.008   9.675  -3.225
   84   1HD   PRO  13          1HD       PRO  13  -3.185   6.994  -3.614
   85   2HD   PRO  13          2HD       PRO  13  -2.924   8.359  -4.727
   86    H    ALA  14           H        ALA  14   1.297   8.148  -1.455
   87    HA   ALA  14           HA       ALA  14   0.673   5.960   0.328
   88   1HB   ALA  14          1HB       ALA  14   3.245   7.464  -0.293
   89   2HB   ALA  14          2HB       ALA  14   3.150   6.036   0.755
   90   3HB   ALA  14          3HB       ALA  14   2.704   5.898  -0.950
   91    H    GLU  15           H        GLU  15  -0.770   8.174   1.122
   92    HA   GLU  15           HA       GLU  15   0.353   8.773   3.821
   93   1HB   GLU  15          1HB       GLU  15  -0.024  10.622   1.793
   94   2HB   GLU  15          2HB       GLU  15  -1.564  10.707   2.598
   95   1HG   GLU  15          1HG       GLU  15  -0.577  12.171   4.034
   96   2HG   GLU  15          2HG       GLU  15   0.256  10.796   4.739
   97    H    ASP  16           H        ASP  16  -1.941   7.196   2.281
   98    HA   ASP  16           HA       ASP  16  -3.662   6.693   4.615
   99   1HB   ASP  16          1HB       ASP  16  -4.652   8.222   2.187
  100   2HB   ASP  16          2HB       ASP  16  -5.726   7.085   2.982
  101    H    LEU  17           H        LEU  17  -3.318   6.216   1.037
  102    HA   LEU  17           HA       LEU  17  -4.569   3.700   0.841
  103   1HB   LEU  17          1HB       LEU  17  -4.123   4.487  -1.222
  104   2HB   LEU  17          2HB       LEU  17  -2.588   5.207  -0.783
  105    HG   LEU  17           HG       LEU  17  -2.926   2.217  -1.238
  106   1HD1  LEU  17          1HD1      LEU  17  -3.340   2.893  -3.347
  107   2HD1  LEU  17          2HD1      LEU  17  -2.530   4.466  -3.160
  108   3HD1  LEU  17          3HD1      LEU  17  -1.588   2.991  -3.433
  109   1HD2  LEU  17          1HD2      LEU  17  -0.624   3.942  -0.454
  110   2HD2  LEU  17          2HD2      LEU  17  -0.871   2.194  -0.263
  111   3HD2  LEU  17          3HD2      LEU  17  -0.271   2.820  -1.771
  112    H    ALA  18           H        ALA  18  -1.430   4.448   2.246
  113    HA   ALA  18           HA       ALA  18  -0.184   1.951   2.121
  114   1HB   ALA  18          1HB       ALA  18   0.536   4.280   3.209
  115   2HB   ALA  18          2HB       ALA  18  -0.078   3.520   4.693
  116   3HB   ALA  18          3HB       ALA  18   1.228   2.749   3.766
  117    H    GLN  19           H        GLN  19  -2.840   3.012   4.258
  118    HA   GLN  19           HA       GLN  19  -2.936   0.587   5.844
  119   1HB   GLN  19          1HB       GLN  19  -3.891   3.036   6.262
  120   2HB   GLN  19          2HB       GLN  19  -5.305   2.431   5.413
  121   1HG   GLN  19          1HG       GLN  19  -4.011   1.203   7.900
  122   2HG   GLN  19          2HG       GLN  19  -5.461   2.210   7.884
  123   1HE2  GLN  19          1HE2      GLN  19  -4.882  -0.839   8.613
  124   2HE2  GLN  19          2HE2      GLN  19  -6.206  -1.587   7.690
  125    H    TYR  20           H        TYR  20  -4.760   1.800   2.998
  126    HA   TYR  20           HA       TYR  20  -6.582  -0.365   2.680
  127   1HB   TYR  20          1HB       TYR  20  -6.788   1.813   1.559
  128   2HB   TYR  20          2HB       TYR  20  -5.335   1.510   0.632
  129    HD1  TYR  20           HD1      TYR  20  -5.331   0.187  -1.373
  130    HD2  TYR  20           HD2      TYR  20  -8.838   0.406   1.132
  131    HE1  TYR  20           HE1      TYR  20  -6.696  -0.874  -3.180
  132    HE2  TYR  20           HE2      TYR  20 -10.182  -0.688  -0.658
  133    HH   TYR  20           HH       TYR  20  -9.672  -2.249  -2.649
  134    H    ALA  21           H        ALA  21  -3.455   0.226   1.090
  135    HA   ALA  21           HA       ALA  21  -3.250  -2.223  -0.343
  136   1HB   ALA  21          1HB       ALA  21  -1.859  -0.149  -0.699
  137   2HB   ALA  21          2HB       ALA  21  -0.974  -0.541   0.784
  138   3HB   ALA  21          3HB       ALA  21  -0.917  -1.644  -0.607
  139    H    ALA  22           H        ALA  22  -2.639  -1.465   3.059
  140    HA   ALA  22           HA       ALA  22  -1.241  -3.932   3.694
  141   1HB   ALA  22          1HB       ALA  22  -1.113  -3.163   5.860
  142   2HB   ALA  22          2HB       ALA  22  -1.259  -1.619   5.023
  143   3HB   ALA  22          3HB       ALA  22  -2.676  -2.334   5.807
  144    H    ASP  23           H        ASP  23  -4.601  -2.682   4.225
  145    HA   ASP  23           HA       ASP  23  -5.700  -5.005   5.382
  146   1HB   ASP  23          1HB       ASP  23  -6.678  -2.522   4.580
  147   2HB   ASP  23          2HB       ASP  23  -7.460  -3.593   3.435
  148    H    LEU  24           H        LEU  24  -5.389  -4.106   1.944
  149    HA   LEU  24           HA       LEU  24  -6.506  -6.598   0.958
  150   1HB   LEU  24          1HB       LEU  24  -4.677  -4.598  -0.430
  151   2HB   LEU  24          2HB       LEU  24  -5.506  -5.947  -1.206
  152    HG   LEU  24           HG       LEU  24  -6.598  -3.323  -0.258
  153   1HD1  LEU  24          1HD1      LEU  24  -7.549  -5.045  -2.549
  154   2HD1  LEU  24          2HD1      LEU  24  -7.564  -3.288  -2.371
  155   3HD1  LEU  24          3HD1      LEU  24  -6.039  -4.107  -2.672
  156   1HD2  LEU  24          1HD2      LEU  24  -8.941  -4.152  -0.349
  157   2HD2  LEU  24          2HD2      LEU  24  -8.337  -5.824  -0.369
  158   3HD2  LEU  24          3HD2      LEU  24  -8.062  -4.777   1.051
  159    H    ARG  25           H        ARG  25  -3.145  -5.614   1.619
  160    HA   ARG  25           HA       ARG  25  -1.899  -8.072   0.812
  161   1HB   ARG  25          1HB       ARG  25  -1.185  -5.658   2.374
  162   2HB   ARG  25          2HB       ARG  25  -0.443  -7.047   3.029
  163   1HG   ARG  25          1HG       ARG  25  -0.245  -6.880   0.041
  164   2HG   ARG  25          2HG       ARG  25   0.488  -5.535   0.895
  165   1HD   ARG  25          1HD       ARG  25   2.279  -6.729   1.393
  166   2HD   ARG  25          2HD       ARG  25   1.316  -7.891   2.303
  167    HE   ARG  25           HE       ARG  25   0.907  -8.807  -0.183
  168   1HH1  ARG  25          1HH1      ARG  25   3.867  -8.000   1.504
  169   2HH1  ARG  25          2HH1      ARG  25   4.789  -9.265   0.750
  170   1HH2  ARG  25          1HH2      ARG  25   2.149 -10.428  -1.169
  171   2HH2  ARG  25          2HH2      ARG  25   3.814 -10.599  -0.722
  172    H    HIS  26           H        HIS  26  -3.310  -7.108   3.923
  173    HA   HIS  26           HA       HIS  26  -2.589  -9.482   5.340
  174   1HB   HIS  26          1HB       HIS  26  -3.290  -7.278   6.366
  175   2HB   HIS  26          2HB       HIS  26  -4.945  -7.633   5.873
  176    HD2  HIS  26           HD2      HIS  26  -6.289  -9.480   7.305
  177    HE1  HIS  26           HE1      HIS  26  -3.225 -10.428  10.105
  178    H    TYR  27           H        TYR  27  -5.675  -8.489   3.781
  179    HA   TYR  27           HA       TYR  27  -7.109 -10.882   4.065
  180   1HB   TYR  27          1HB       TYR  27  -7.377  -8.456   2.549
  181   2HB   TYR  27          2HB       TYR  27  -7.539  -9.763   1.413
  182    HD1  TYR  27           HD1      TYR  27  -8.655  -9.014   4.934
  183    HD2  TYR  27           HD2      TYR  27  -9.722 -10.420   1.005
  184    HE1  TYR  27           HE1      TYR  27 -11.035  -9.230   5.660
  185    HE2  TYR  27           HE2      TYR  27 -12.102 -10.604   1.711
  186    HH   TYR  27           HH       TYR  27 -13.597  -9.846   3.334
  187    H    ILE  28           H        ILE  28  -5.030  -9.983   1.214
  188    HA   ILE  28           HA       ILE  28  -5.243 -12.487  -0.010
  189    HB   ILE  28           HB       ILE  28  -3.900 -10.143  -0.510
  190   2HG1  ILE  28          2HG1      ILE  28  -5.089 -11.879  -2.047
  191   1HG2  ILE  28          1HG2      ILE  28  -1.765 -12.304  -0.448
  192   2HG2  ILE  28          2HG2      ILE  28  -1.610 -10.721  -1.230
  193   3HG2  ILE  28          3HG2      ILE  28  -1.802 -10.812   0.513
  194   1HD1  ILE  28          1HD1      ILE  28  -4.683 -10.266  -3.527
  195   2HD1  ILE  28          2HD1      ILE  28  -3.271  -9.696  -2.621
  196   3HD1  ILE  28          3HD1      ILE  28  -3.083 -10.977  -3.837
  197    H    ASN  29           H        ASN  29  -2.729 -11.509   2.360
  198    HA   ASN  29           HA       ASN  29  -1.442 -14.028   2.498
  199   1HB   ASN  29          1HB       ASN  29  -1.386 -11.541   3.977
  200   2HB   ASN  29          2HB       ASN  29  -1.491 -12.845   5.139
  201   1HD2  ASN  29          1HD2      ASN  29   0.644 -12.697   5.927
  202   2HD2  ASN  29          2HD2      ASN  29   2.009 -13.010   4.850
  203    H    LEU  30           H        LEU  30  -4.395 -12.963   4.167
  204    HA   LEU  30           HA       LEU  30  -4.701 -15.421   5.684
  205   1HB   LEU  30          1HB       LEU  30  -6.286 -12.896   5.188
  206   2HB   LEU  30          2HB       LEU  30  -7.183 -14.317   5.677
  207    HG   LEU  30           HG       LEU  30  -4.941 -12.982   7.251
  208   1HD1  LEU  30          1HD1      LEU  30  -7.969 -13.206   7.553
  209   2HD1  LEU  30          2HD1      LEU  30  -6.897 -12.743   8.899
  210   3HD1  LEU  30          3HD1      LEU  30  -6.963 -11.748   7.449
  211   1HD2  LEU  30          1HD2      LEU  30  -4.642 -15.247   7.812
  212   2HD2  LEU  30          2HD2      LEU  30  -5.767 -14.699   9.043
  213   3HD2  LEU  30          3HD2      LEU  30  -6.376 -15.625   7.654
  214    H    ILE  31           H        ILE  31  -5.727 -14.408   2.495
  215    HA   ILE  31           HA       ILE  31  -7.490 -16.727   2.098
  216    HB   ILE  31           HB       ILE  31  -6.392 -14.607   0.219
  217   2HG1  ILE  31          2HG1      ILE  31  -8.547 -13.553   0.284
  218   1HG2  ILE  31          1HG2      ILE  31  -8.613 -16.575  -0.464
  219   2HG2  ILE  31          2HG2      ILE  31  -7.909 -15.315  -1.510
  220   3HG2  ILE  31          3HG2      ILE  31  -6.948 -16.715  -1.046
  221   1HD1  ILE  31          1HD1      ILE  31 -10.125 -14.462   2.254
  222   2HD1  ILE  31          2HD1      ILE  31 -10.359 -14.959   0.564
  223   3HD1  ILE  31          3HD1      ILE  31  -9.518 -16.031   1.708
  224    H    THR  32           H        THR  32  -4.220 -15.803   1.017
  225    HA   THR  32           HA       THR  32  -3.613 -17.910  -0.664
  226    HB   THR  32           HB       THR  32  -1.235 -17.634  -0.001
  227    HG1  THR  32           HG1      THR  32  -2.273 -16.077   2.136
  228   1HG2  THR  32          1HG2      THR  32  -1.155 -15.772  -1.225
  229   2HG2  THR  32          2HG2      THR  32  -2.867 -15.436  -0.911
  230   3HG2  THR  32          3HG2      THR  32  -1.612 -14.813   0.175
  231    H    ARG  33           H        ARG  33  -3.124 -17.988   2.869
  232    HA   ARG  33           HA       ARG  33  -2.780 -20.905   2.861
  233   1HB   ARG  33          1HB       ARG  33  -1.468 -19.262   4.248
  234   2HB   ARG  33          2HB       ARG  33  -2.900 -18.995   5.228
  235   1HG   ARG  33          1HG       ARG  33  -2.173 -21.882   4.848
  236   2HG   ARG  33          2HG       ARG  33  -0.904 -20.919   5.598
  237   1HD   ARG  33          1HD       ARG  33  -3.026 -20.073   7.082
  238   2HD   ARG  33          2HD       ARG  33  -3.596 -21.695   6.657
  239    HE   ARG  33           HE       ARG  33  -0.957 -22.015   7.508
  240   1HH1  ARG  33          1HH1      ARG  33  -3.921 -20.878   8.925
  241   2HH1  ARG  33          2HH1      ARG  33  -3.473 -21.262  10.567
  242   1HH2  ARG  33          1HH2      ARG  33  -0.312 -22.472   9.616
  243   2HH2  ARG  33          2HH2      ARG  33  -1.364 -22.117  10.936
  244    H    GLN  34           H        GLN  34  -5.402 -19.758   2.000
  245    HA   GLN  34           HA       GLN  34  -7.115 -21.605   3.466
  246   1HB   GLN  34          1HB       GLN  34  -7.065 -19.464   4.856
  247   2HB   GLN  34          2HB       GLN  34  -7.821 -18.650   3.475
  248   1HG   GLN  34          1HG       GLN  34  -9.848 -19.413   4.036
  249   2HG   GLN  34          2HG       GLN  34  -9.307 -21.086   4.059
  250   1HE2  GLN  34          1HE2      GLN  34 -11.023 -19.137   5.922
  251   2HE2  GLN  34          2HE2      GLN  34 -10.398 -19.668   7.489
  252    H    ARG  35           H        ARG  35  -6.146 -21.363   0.716
  253    HA   ARG  35           HA       ARG  35  -8.759 -21.404  -0.632
  254   1HB   ARG  35          1HB       ARG  35  -7.626 -19.081  -0.853
  255   2HB   ARG  35          2HB       ARG  35  -6.414 -19.856  -1.838
  256   1HG   ARG  35          1HG       ARG  35  -7.859 -20.082  -3.636
  257   2HG   ARG  35          2HG       ARG  35  -9.255 -20.457  -2.615
  258   1HD   ARG  35          1HD       ARG  35  -9.523 -18.146  -1.984
  259   2HD   ARG  35          2HD       ARG  35  -8.067 -17.682  -2.897
  260    HE   ARG  35           HE       ARG  35  -9.564 -18.856  -4.828
  261   1HH1  ARG  35          1HH1      ARG  35 -10.472 -16.325  -2.559
  262   2HH1  ARG  35          2HH1      ARG  35 -11.619 -15.605  -3.671
  263   1HH2  ARG  35          1HH2      ARG  35 -11.082 -17.920  -6.162
  264   2HH2  ARG  35          2HH2      ARG  35 -11.954 -16.508  -5.604
  265    H    TYR  36           H        TYR  36  -8.534 -22.462  -2.759
  266    HA   TYR  36           HA       TYR  36  -8.093 -24.398  -3.891
  267   1HB   TYR  36          1HB       TYR  36  -5.868 -24.367  -4.957
  268   2HB   TYR  36          2HB       TYR  36  -6.704 -22.832  -4.981
  269    HD1  TYR  36           HD1      TYR  36  -5.767 -20.844  -3.965
  270    HD2  TYR  36           HD2      TYR  36  -3.902 -24.683  -3.378
  271    HE1  TYR  36           HE1      TYR  36  -3.860 -19.740  -2.799
  272    HE2  TYR  36           HE2      TYR  36  -1.972 -23.570  -2.288
  273    HH   TYR  36           HH       TYR  36  -1.444 -21.501  -1.109
  274   1HN   NH2  37          1HN       NH2  37  -7.809 -24.720  -0.870
  275   2HN   NH2  37          2HN       NH2  37  -6.629 -25.976  -0.670
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1  19.054  -9.253 -21.656
    2   2H    TYR   1          2H        TYR   1  19.860 -10.005 -20.445
    3   3H    TYR   1          3H        TYR   1  20.139 -10.449 -22.005
    4    HA   TYR   1           HA       TYR   1  18.171 -11.567 -22.236
    5   1HB   TYR   1          1HB       TYR   1  19.574 -12.057 -19.718
    6   2HB   TYR   1          2HB       TYR   1  17.869 -12.423 -19.568
    7    HD1  TYR   1           HD1      TYR   1  21.031 -13.464 -21.039
    8    HD2  TYR   1           HD2      TYR   1  16.754 -14.098 -21.010
    9    HE1  TYR   1           HE1      TYR   1  21.336 -15.682 -22.146
   10    HE2  TYR   1           HE2      TYR   1  17.069 -16.309 -22.098
   11    HH   TYR   1           HH       TYR   1  18.614 -17.676 -23.220
   12    HA   PRO   2           HA       PRO   2  14.825  -9.842 -19.412
   13   1HB   PRO   2          1HB       PRO   2  15.378  -7.949 -17.474
   14   2HB   PRO   2          2HB       PRO   2  15.405  -9.706 -17.191
   15   1HG   PRO   2          1HG       PRO   2  17.702  -7.818 -17.488
   16   2HG   PRO   2          2HG       PRO   2  17.602  -9.369 -16.596
   17   1HD   PRO   2          1HD       PRO   2  18.708  -8.898 -19.171
   18   2HD   PRO   2          2HD       PRO   2  18.459 -10.480 -18.378
   19    H    SER   3           H        SER   3  13.644  -7.660 -19.210
   20    HA   SER   3           HA       SER   3  14.761  -5.354 -20.447
   21   1HB   SER   3          1HB       SER   3  14.018  -7.128 -22.381
   22   2HB   SER   3          2HB       SER   3  12.446  -6.362 -22.080
   23    HG   SER   3           HG       SER   3  13.233  -4.716 -23.175
   24    H    LYS   4           H        LYS   4  12.753  -3.877 -20.952
   25    HA   LYS   4           HA       LYS   4  11.030  -2.608 -20.122
   26   1HB   LYS   4          1HB       LYS   4  10.004  -5.316 -20.043
   27   2HB   LYS   4          2HB       LYS   4   9.407  -4.446 -18.655
   28   1HG   LYS   4          1HG       LYS   4   8.945  -2.546 -20.541
   29   2HG   LYS   4          2HG       LYS   4   8.932  -3.979 -21.574
   30   1HD   LYS   4          1HD       LYS   4   7.327  -4.588 -19.247
   31   2HD   LYS   4          2HD       LYS   4   6.934  -2.945 -19.714
   32   1HE   LYS   4          1HE       LYS   4   6.953  -4.360 -22.154
   33   2HE   LYS   4          2HE       LYS   4   6.331  -5.532 -20.989
   34   1HZ   LYS   4          1HZ       LYS   4   5.172  -2.934 -21.749
   35   2HZ   LYS   4          2HZ       LYS   4   4.429  -4.413 -21.694
   36   3HZ   LYS   4          3HZ       LYS   4   4.791  -3.610 -20.300
   37    HA   PRO   5           HA       PRO   5  13.021  -2.326 -16.001
   38   1HB   PRO   5          1HB       PRO   5  14.038   0.235 -16.312
   39   2HB   PRO   5          2HB       PRO   5  14.905  -1.262 -16.762
   40   1HG   PRO   5          1HG       PRO   5  13.553   0.738 -18.528
   41   2HG   PRO   5          2HG       PRO   5  14.940  -0.339 -18.875
   42   1HD   PRO   5          1HD       PRO   5  12.206  -0.736 -19.588
   43   2HD   PRO   5          2HD       PRO   5  13.540  -1.920 -19.760
   44    H    ASP   6           H        ASP   6  12.661  -0.584 -14.401
   45    HA   ASP   6           HA       ASP   6  10.054   0.826 -14.653
   46   1HB   ASP   6          1HB       ASP   6   9.599   0.083 -12.336
   47   2HB   ASP   6          2HB       ASP   6   9.644  -1.245 -13.489
   48    H    ASN   7           H        ASN   7  12.844   0.460 -12.442
   49    HA   ASN   7           HA       ASN   7  14.037   1.911 -11.188
   50   1HB   ASN   7          1HB       ASN   7  13.697   3.629 -13.659
   51   2HB   ASN   7          2HB       ASN   7  14.738   4.041 -12.301
   52   1HD2  ASN   7          1HD2      ASN   7  16.844   3.593 -12.750
   53   2HD2  ASN   7          2HD2      ASN   7  17.336   2.198 -13.706
   54    HA   PRO   8           HA       PRO   8  10.286   3.986  -9.564
   55   1HB   PRO   8          1HB       PRO   8  10.671   3.302  -6.892
   56   2HB   PRO   8          2HB       PRO   8   9.790   2.312  -8.092
   57   1HG   PRO   8          1HG       PRO   8  12.523   1.903  -6.972
   58   2HG   PRO   8          2HG       PRO   8  11.371   0.711  -7.630
   59   1HD   PRO   8          1HD       PRO   8  13.622   1.844  -8.945
   60   2HD   PRO   8          2HD       PRO   8  12.355   0.841  -9.695
   61    H    GLY   9           H        GLY   9  10.122   5.581  -7.679
   62   1HA   GLY   9          1HA       GLY   9  12.477   7.414  -7.751
   63   2HA   GLY   9          2HA       GLY   9  10.811   7.865  -7.357
   64    H    GLU  10           H        GLU  10  10.759   8.448  -5.296
   65    HA   GLU  10           HA       GLU  10  11.333   6.719  -3.078
   66   1HB   GLU  10          1HB       GLU  10  13.446   8.599  -3.970
   67   2HB   GLU  10          2HB       GLU  10  12.965   8.876  -2.306
   68   1HG   GLU  10          1HG       GLU  10  13.474   6.018  -3.087
   69   2HG   GLU  10          2HG       GLU  10  14.854   7.100  -2.999
   70    H    ASP  11           H        ASP  11   9.443   7.152  -2.178
   71    HA   ASP  11           HA       ASP  11   8.721   9.232  -0.591
   72   1HB   ASP  11          1HB       ASP  11   7.986   9.892  -3.432
   73   2HB   ASP  11          2HB       ASP  11   6.732  10.120  -2.225
   74    H    ALA  12           H        ALA  12   7.983   7.521   0.615
   75    HA   ALA  12           HA       ALA  12   5.937   5.713  -0.413
   76   1HB   ALA  12          1HB       ALA  12   7.232   4.634   1.166
   77   2HB   ALA  12          2HB       ALA  12   7.414   6.069   2.194
   78   3HB   ALA  12          3HB       ALA  12   5.897   5.175   2.199
   79    HA   PRO  13           HA       PRO  13   2.436   8.166   0.806
   80   1HB   PRO  13          1HB       PRO  13   0.592   6.243   1.428
   81   2HB   PRO  13          2HB       PRO  13   1.048   6.683  -0.244
   82   1HG   PRO  13          1HG       PRO  13   1.780   4.259   1.354
   83   2HG   PRO  13          2HG       PRO  13   1.655   4.453  -0.421
   84   1HD   PRO  13          1HD       PRO  13   4.019   4.486   1.158
   85   2HD   PRO  13          2HD       PRO  13   3.888   4.943  -0.565
   86    H    ALA  14           H        ALA  14   0.864   8.540   2.573
   87    HA   ALA  14           HA       ALA  14   1.422   7.438   5.231
   88   1HB   ALA  14          1HB       ALA  14   3.206   9.175   4.828
   89   2HB   ALA  14          2HB       ALA  14   1.920  10.390   4.657
   90   3HB   ALA  14          3HB       ALA  14   2.147   9.535   6.200
   91    H    GLU  15           H        GLU  15  -1.004   7.474   3.475
   92    HA   GLU  15           HA       GLU  15  -2.820   9.067   5.147
   93   1HB   GLU  15          1HB       GLU  15  -2.308   9.947   2.691
   94   2HB   GLU  15          2HB       GLU  15  -3.323   8.592   2.210
   95   1HG   GLU  15          1HG       GLU  15  -4.916   9.665   4.157
   96   2HG   GLU  15          2HG       GLU  15  -4.017  11.111   3.723
   97    H    ASP  16           H        ASP  16  -4.952   7.857   3.421
   98    HA   ASP  16           HA       ASP  16  -5.408   5.443   5.058
   99   1HB   ASP  16          1HB       ASP  16  -7.010   6.981   2.994
  100   2HB   ASP  16          2HB       ASP  16  -7.503   5.373   3.475
  101    H    LEU  17           H        LEU  17  -4.931   6.191   1.592
  102    HA   LEU  17           HA       LEU  17  -5.098   3.664   0.455
  103   1HB   LEU  17          1HB       LEU  17  -4.347   4.556  -1.422
  104   2HB   LEU  17          2HB       LEU  17  -4.705   6.024  -0.567
  105    HG   LEU  17           HG       LEU  17  -2.725   6.373  -1.722
  106   1HD1  LEU  17          1HD1      LEU  17  -1.376   5.849   0.870
  107   2HD1  LEU  17          2HD1      LEU  17  -1.436   7.321  -0.106
  108   3HD1  LEU  17          3HD1      LEU  17  -2.807   6.871   0.914
  109   1HD2  LEU  17          1HD2      LEU  17  -0.905   5.001  -2.030
  110   2HD2  LEU  17          2HD2      LEU  17  -1.138   4.105  -0.529
  111   3HD2  LEU  17          3HD2      LEU  17  -2.211   3.806  -1.899
  112    H    ALA  18           H        ALA  18  -2.617   4.797   2.541
  113    HA   ALA  18           HA       ALA  18  -0.505   2.926   1.956
  114   1HB   ALA  18          1HB       ALA  18  -0.268   5.141   3.186
  115   2HB   ALA  18          2HB       ALA  18  -1.120   4.417   4.555
  116   3HB   ALA  18          3HB       ALA  18   0.441   3.755   4.043
  117    H    GLN  19           H        GLN  19  -3.111   3.067   4.428
  118    HA   GLN  19           HA       GLN  19  -2.484   0.425   5.461
  119   1HB   GLN  19          1HB       GLN  19  -3.992   2.624   6.423
  120   2HB   GLN  19          2HB       GLN  19  -5.192   1.389   6.063
  121   1HG   GLN  19          1HG       GLN  19  -3.321  -0.170   7.326
  122   2HG   GLN  19          2HG       GLN  19  -2.979   1.380   8.088
  123   1HE2  GLN  19          1HE2      GLN  19  -5.595  -1.025   7.395
  124   2HE2  GLN  19          2HE2      GLN  19  -6.527  -0.524   8.813
  125    H    TYR  20           H        TYR  20  -4.641   1.735   3.013
  126    HA   TYR  20           HA       TYR  20  -6.348  -0.489   2.499
  127   1HB   TYR  20          1HB       TYR  20  -5.199   1.773   0.980
  128   2HB   TYR  20          2HB       TYR  20  -5.730   0.504  -0.027
  129    HD1  TYR  20           HD1      TYR  20  -8.173  -0.298   0.154
  130    HD2  TYR  20           HD2      TYR  20  -6.745   3.366   1.885
  131    HE1  TYR  20           HE1      TYR  20 -10.501   0.575   0.263
  132    HE2  TYR  20           HE2      TYR  20  -9.049   4.253   1.992
  133    HH   TYR  20           HH       TYR  20 -11.849   2.265   1.121
  134    H    ALA  21           H        ALA  21  -3.061   0.200   1.223
  135    HA   ALA  21           HA       ALA  21  -2.799  -2.293  -0.192
  136   1HB   ALA  21          1HB       ALA  21  -0.306  -1.770  -0.017
  137   2HB   ALA  21          2HB       ALA  21  -1.320  -0.542  -0.804
  138   3HB   ALA  21          3HB       ALA  21  -0.765  -0.303   0.868
  139    H    ALA  22           H        ALA  22  -2.466  -1.550   3.212
  140    HA   ALA  22           HA       ALA  22  -0.994  -3.959   3.955
  141   1HB   ALA  22          1HB       ALA  22  -2.513  -2.593   6.086
  142   2HB   ALA  22          2HB       ALA  22  -0.781  -2.934   5.946
  143   3HB   ALA  22          3HB       ALA  22  -1.455  -1.494   5.169
  144    H    ASP  23           H        ASP  23  -4.408  -2.820   4.315
  145    HA   ASP  23           HA       ASP  23  -5.422  -5.222   5.418
  146   1HB   ASP  23          1HB       ASP  23  -6.510  -2.740   4.677
  147   2HB   ASP  23          2HB       ASP  23  -7.258  -3.831   3.530
  148    H    LEU  24           H        LEU  24  -5.143  -4.186   2.012
  149    HA   LEU  24           HA       LEU  24  -6.143  -6.631   0.858
  150   1HB   LEU  24          1HB       LEU  24  -4.412  -4.379  -0.166
  151   2HB   LEU  24          2HB       LEU  24  -4.765  -5.773  -1.165
  152    HG   LEU  24           HG       LEU  24  -7.224  -4.736   0.075
  153   1HD1  LEU  24          1HD1      LEU  24  -6.846  -2.546  -0.106
  154   2HD1  LEU  24          2HD1      LEU  24  -5.469  -2.725  -1.210
  155   3HD1  LEU  24          3HD1      LEU  24  -7.135  -2.792  -1.827
  156   1HD2  LEU  24          1HD2      LEU  24  -6.459  -5.015  -2.849
  157   2HD2  LEU  24          2HD2      LEU  24  -7.073  -6.348  -1.830
  158   3HD2  LEU  24          3HD2      LEU  24  -8.097  -4.932  -2.157
  159    H    ARG  25           H        ARG  25  -2.847  -5.646   1.830
  160    HA   ARG  25           HA       ARG  25  -1.480  -8.030   0.977
  161   1HB   ARG  25          1HB       ARG  25  -0.945  -5.706   2.722
  162   2HB   ARG  25          2HB       ARG  25  -0.176  -7.095   3.317
  163   1HG   ARG  25          1HG       ARG  25   0.197  -6.651   0.364
  164   2HG   ARG  25          2HG       ARG  25   0.822  -5.400   1.413
  165   1HD   ARG  25          1HD       ARG  25   2.658  -6.785   1.284
  166   2HD   ARG  25          2HD       ARG  25   1.911  -7.309   2.792
  167    HE   ARG  25           HE       ARG  25   1.067  -8.799   0.401
  168   1HH1  ARG  25          1HH1      ARG  25   3.394  -8.707   2.987
  169   2HH1  ARG  25          2HH1      ARG  25   3.904 -10.366   2.774
  170   1HH2  ARG  25          1HH2      ARG  25   1.746 -10.928   0.088
  171   2HH2  ARG  25          2HH2      ARG  25   2.838 -11.630   1.238
  172    H    HIS  26           H        HIS  26  -3.294  -7.302   3.923
  173    HA   HIS  26           HA       HIS  26  -2.517  -9.819   5.192
  174   1HB   HIS  26          1HB       HIS  26  -3.200  -7.653   6.394
  175   2HB   HIS  26          2HB       HIS  26  -4.868  -8.071   5.987
  176    HD2  HIS  26           HD2      HIS  26  -6.044  -9.747   7.678
  177    HE1  HIS  26           HE1      HIS  26  -2.609 -11.279   9.662
  178    H    TYR  27           H        TYR  27  -5.601  -8.579   3.779
  179    HA   TYR  27           HA       TYR  27  -7.106 -10.938   3.768
  180   1HB   TYR  27          1HB       TYR  27  -7.043  -8.460   2.110
  181   2HB   TYR  27          2HB       TYR  27  -7.696  -9.855   1.299
  182    HD1  TYR  27           HD1      TYR  27  -9.563 -11.211   2.361
  183    HD2  TYR  27           HD2      TYR  27  -8.420  -7.270   3.708
  184    HE1  TYR  27           HE1      TYR  27 -11.812 -10.908   3.402
  185    HE2  TYR  27           HE2      TYR  27 -10.656  -6.972   4.732
  186    HH   TYR  27           HH       TYR  27 -12.678  -7.999   5.232
  187    H    ILE  28           H        ILE  28  -4.573  -9.982   1.341
  188    HA   ILE  28           HA       ILE  28  -4.933 -12.312  -0.199
  189    HB   ILE  28           HB       ILE  28  -3.276 -10.104  -0.285
  190   2HG1  ILE  28          2HG1      ILE  28  -4.529 -11.568  -2.084
  191   1HG2  ILE  28          1HG2      ILE  28  -1.420 -12.494  -0.272
  192   2HG2  ILE  28          2HG2      ILE  28  -1.031 -10.868  -0.868
  193   3HG2  ILE  28          3HG2      ILE  28  -1.401 -11.093   0.832
  194   1HD1  ILE  28          1HD1      ILE  28  -3.568 -10.287  -3.795
  195   2HD1  ILE  28          2HD1      ILE  28  -3.441  -9.277  -2.353
  196   3HD1  ILE  28          3HD1      ILE  28  -2.009 -10.142  -2.956
  197    H    ASN  29           H        ASN  29  -2.594 -11.857   2.464
  198    HA   ASN  29           HA       ASN  29  -1.627 -14.547   2.394
  199   1HB   ASN  29          1HB       ASN  29  -1.027 -12.114   3.749
  200   2HB   ASN  29          2HB       ASN  29  -1.385 -13.269   5.020
  201   1HD2  ASN  29          1HD2      ASN  29   1.102 -12.176   4.879
  202   2HD2  ASN  29          2HD2      ASN  29   2.206 -13.464   4.366
  203    H    LEU  30           H        LEU  30  -4.363 -13.108   4.014
  204    HA   LEU  30           HA       LEU  30  -4.932 -15.425   5.687
  205   1HB   LEU  30          1HB       LEU  30  -6.116 -12.721   5.208
  206   2HB   LEU  30          2HB       LEU  30  -7.307 -13.958   5.492
  207    HG   LEU  30           HG       LEU  30  -5.056 -13.136   7.357
  208   1HD1  LEU  30          1HD1      LEU  30  -7.137 -11.745   7.253
  209   2HD1  LEU  30          2HD1      LEU  30  -8.092 -13.175   7.674
  210   3HD1  LEU  30          3HD1      LEU  30  -6.905 -12.528   8.826
  211   1HD2  LEU  30          1HD2      LEU  30  -6.700 -15.652   7.301
  212   2HD2  LEU  30          2HD2      LEU  30  -5.064 -15.367   7.933
  213   3HD2  LEU  30          3HD2      LEU  30  -6.471 -14.869   8.878
  214    H    ILE  31           H        ILE  31  -6.480 -14.054   2.755
  215    HA   ILE  31           HA       ILE  31  -8.343 -16.157   2.301
  216    HB   ILE  31           HB       ILE  31  -6.985 -14.194   0.431
  217   2HG1  ILE  31          2HG1      ILE  31  -8.853 -12.820   0.600
  218   1HG2  ILE  31          1HG2      ILE  31  -7.601 -16.049  -0.964
  219   2HG2  ILE  31          2HG2      ILE  31  -9.233 -16.082  -0.259
  220   3HG2  ILE  31          3HG2      ILE  31  -8.703 -14.681  -1.221
  221   1HD1  ILE  31          1HD1      ILE  31 -10.997 -13.444   1.767
  222   2HD1  ILE  31          2HD1      ILE  31 -10.753 -14.243   0.209
  223   3HD1  ILE  31          3HD1      ILE  31 -10.474 -15.145   1.724
  224    H    THR  32           H        THR  32  -4.912 -15.739   1.123
  225    HA   THR  32           HA       THR  32  -4.748 -18.008  -0.493
  226    HB   THR  32           HB       THR  32  -2.329 -18.193   0.341
  227    HG1  THR  32           HG1      THR  32  -2.511 -17.216   2.380
  228   1HG2  THR  32          1HG2      THR  32  -1.908 -15.640  -0.456
  229   2HG2  THR  32          2HG2      THR  32  -2.326 -16.954  -1.579
  230   3HG2  THR  32          3HG2      THR  32  -3.578 -15.830  -1.013
  231    H    ARG  33           H        ARG  33  -4.447 -17.921   3.099
  232    HA   ARG  33           HA       ARG  33  -4.340 -20.886   3.078
  233   1HB   ARG  33          1HB       ARG  33  -2.856 -19.278   4.516
  234   2HB   ARG  33          2HB       ARG  33  -4.278 -19.139   5.545
  235   1HG   ARG  33          1HG       ARG  33  -3.858 -21.957   4.925
  236   2HG   ARG  33          2HG       ARG  33  -2.296 -21.258   5.308
  237   1HD   ARG  33          1HD       ARG  33  -3.940 -20.253   7.340
  238   2HD   ARG  33          2HD       ARG  33  -4.637 -21.845   7.017
  239    HE   ARG  33           HE       ARG  33  -1.717 -21.804   7.268
  240   1HH1  ARG  33          1HH1      ARG  33  -4.658 -22.117   9.080
  241   2HH1  ARG  33          2HH1      ARG  33  -3.907 -22.901  10.447
  242   1HH2  ARG  33          1HH2      ARG  33  -0.723 -22.769   9.004
  243   2HH2  ARG  33          2HH2      ARG  33  -1.666 -23.268  10.375
  244    H    GLN  34           H        GLN  34  -6.811 -19.369   2.305
  245    HA   GLN  34           HA       GLN  34  -8.726 -20.975   3.782
  246   1HB   GLN  34          1HB       GLN  34  -8.105 -18.747   5.125
  247   2HB   GLN  34          2HB       GLN  34  -9.207 -17.989   3.995
  248   1HG   GLN  34          1HG       GLN  34 -11.007 -18.831   5.111
  249   2HG   GLN  34          2HG       GLN  34 -10.384 -20.479   5.049
  250   1HE2  GLN  34          1HE2      GLN  34 -10.495 -17.511   7.006
  251   2HE2  GLN  34          2HE2      GLN  34  -9.781 -18.325   8.418
  252    H    ARG  35           H        ARG  35  -8.067 -20.895   1.046
  253    HA   ARG  35           HA       ARG  35 -10.666 -20.234  -0.137
  254   1HB   ARG  35          1HB       ARG  35  -8.826 -18.347  -0.463
  255   2HB   ARG  35          2HB       ARG  35  -8.183 -19.426  -1.677
  256   1HG   ARG  35          1HG       ARG  35 -11.046 -19.174  -2.095
  257   2HG   ARG  35          2HG       ARG  35 -10.433 -17.576  -1.690
  258   1HD   ARG  35          1HD       ARG  35  -8.571 -18.120  -3.500
  259   2HD   ARG  35          2HD       ARG  35  -9.705 -19.357  -4.020
  260    HE   ARG  35           HE       ARG  35 -11.226 -17.684  -4.729
  261   1HH1  ARG  35          1HH1      ARG  35  -8.546 -16.159  -3.080
  262   2HH1  ARG  35          2HH1      ARG  35  -9.021 -14.543  -3.563
  263   1HH2  ARG  35          1HH2      ARG  35 -11.714 -15.557  -5.415
  264   2HH2  ARG  35          2HH2      ARG  35 -10.813 -14.217  -4.729
  265    H    TYR  36           H        TYR  36 -10.244 -20.968  -2.663
  266    HA   TYR  36           HA       TYR  36 -10.272 -22.768  -4.027
  267   1HB   TYR  36          1HB       TYR  36  -8.135 -23.438  -4.722
  268   2HB   TYR  36          2HB       TYR  36  -8.020 -21.772  -4.186
  269    HD1  TYR  36           HD1      TYR  36  -6.711 -21.177  -2.130
  270    HD2  TYR  36           HD2      TYR  36  -6.982 -25.243  -3.562
  271    HE1  TYR  36           HE1      TYR  36  -4.960 -21.900  -0.515
  272    HE2  TYR  36           HE2      TYR  36  -5.212 -25.921  -1.965
  273    HH   TYR  36           HH       TYR  36  -4.047 -25.254  -0.050
  274   1HN   NH2  37          1HN       NH2  37 -10.954 -23.526  -1.104
  275   2HN   NH2  37          2HN       NH2  37 -10.768 -25.272  -1.096
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1 -18.272  26.782  -3.469
    2   2H    TYR   1          2H        TYR   1 -19.676  27.642  -3.592
    3   3H    TYR   1          3H        TYR   1 -19.720  26.000  -3.469
    4    HA   TYR   1           HA       TYR   1 -18.297  26.062  -5.600
    5   1HB   TYR   1          1HB       TYR   1 -21.304  26.463  -5.481
    6   2HB   TYR   1          2HB       TYR   1 -20.426  26.068  -6.950
    7    HD1  TYR   1           HD1      TYR   1 -19.408  23.871  -7.312
    8    HD2  TYR   1           HD2      TYR   1 -21.567  24.758  -3.664
    9    HE1  TYR   1           HE1      TYR   1 -19.542  21.455  -6.795
   10    HE2  TYR   1           HE2      TYR   1 -21.669  22.322  -3.161
   11    HH   TYR   1           HH       TYR   1 -20.308  19.871  -5.334
   12    HA   PRO   2           HA       PRO   2 -18.160  30.598  -6.393
   13   1HB   PRO   2          1HB       PRO   2 -15.445  30.742  -6.905
   14   2HB   PRO   2          2HB       PRO   2 -16.191  30.942  -5.295
   15   1HG   PRO   2          1HG       PRO   2 -14.664  28.610  -6.358
   16   2HG   PRO   2          2HG       PRO   2 -14.919  29.136  -4.668
   17   1HD   PRO   2          1HD       PRO   2 -16.303  27.060  -6.082
   18   2HD   PRO   2          2HD       PRO   2 -16.654  27.683  -4.450
   19    H    SER   3           H        SER   3 -16.024  28.279  -8.129
   20    HA   SER   3           HA       SER   3 -17.532  28.483 -10.578
   21   1HB   SER   3          1HB       SER   3 -16.237  30.708 -10.543
   22   2HB   SER   3          2HB       SER   3 -14.761  29.755 -10.727
   23    HG   SER   3           HG       SER   3 -16.902  29.270 -12.470
   24    H    LYS   4           H        LYS   4 -14.159  27.953  -9.466
   25    HA   LYS   4           HA       LYS   4 -13.678  25.740 -11.221
   26   1HB   LYS   4          1HB       LYS   4 -12.269  27.041  -8.894
   27   2HB   LYS   4          2HB       LYS   4 -11.755  25.406  -9.321
   28   1HG   LYS   4          1HG       LYS   4 -11.204  26.027 -11.570
   29   2HG   LYS   4          2HG       LYS   4 -12.070  27.549 -11.442
   30   1HD   LYS   4          1HD       LYS   4 -10.033  28.424 -11.239
   31   2HD   LYS   4          2HD       LYS   4 -10.219  28.051  -9.534
   32   1HE   LYS   4          1HE       LYS   4  -8.987  26.096 -11.524
   33   2HE   LYS   4          2HE       LYS   4  -8.019  27.390 -10.820
   34   1HZ   LYS   4          1HZ       LYS   4  -8.073  25.119  -9.672
   35   2HZ   LYS   4          2HZ       LYS   4  -8.142  26.468  -8.739
   36   3HZ   LYS   4          3HZ       LYS   4  -9.517  25.606  -9.045
   37    HA   PRO   5           HA       PRO   5 -15.490  22.436  -8.916
   38   1HB   PRO   5          1HB       PRO   5 -13.994  20.270  -9.738
   39   2HB   PRO   5          2HB       PRO   5 -15.203  21.109 -10.739
   40   1HG   PRO   5          1HG       PRO   5 -12.218  21.276 -10.891
   41   2HG   PRO   5          2HG       PRO   5 -13.443  21.468 -12.182
   42   1HD   PRO   5          1HD       PRO   5 -12.099  23.537 -10.783
   43   2HD   PRO   5          2HD       PRO   5 -13.510  23.717 -11.869
   44    H    ASP   6           H        ASP   6 -14.835  23.499  -6.935
   45    HA   ASP   6           HA       ASP   6 -12.768  21.959  -5.433
   46   1HB   ASP   6          1HB       ASP   6 -12.571  23.798  -3.915
   47   2HB   ASP   6          2HB       ASP   6 -12.270  24.350  -5.555
   48    H    ASN   7           H        ASN   7 -13.331  20.863  -3.600
   49    HA   ASN   7           HA       ASN   7 -15.997  21.196  -2.459
   50   1HB   ASN   7          1HB       ASN   7 -14.991  18.442  -3.323
   51   2HB   ASN   7          2HB       ASN   7 -16.532  18.808  -2.562
   52   1HD2  ASN   7          1HD2      ASN   7 -14.964  18.317  -5.552
   53   2HD2  ASN   7          2HD2      ASN   7 -16.269  19.023  -6.530
   54    HA   PRO   8           HA       PRO   8 -13.483  20.236   1.148
   55   1HB   PRO   8          1HB       PRO   8 -15.403  19.307   2.915
   56   2HB   PRO   8          2HB       PRO   8 -15.112  21.027   2.536
   57   1HG   PRO   8          1HG       PRO   8 -17.344  19.267   1.655
   58   2HG   PRO   8          2HG       PRO   8 -17.292  21.046   1.834
   59   1HD   PRO   8          1HD       PRO   8 -17.041  19.524  -0.562
   60   2HD   PRO   8          2HD       PRO   8 -16.791  21.285  -0.386
   61    H    GLY   9           H        GLY   9 -12.418  18.507   2.021
   62   1HA   GLY   9          1HA       GLY   9 -13.339  15.787   2.055
   63   2HA   GLY   9          2HA       GLY   9 -12.227  16.050   0.699
   64    H    GLU  10           H        GLU  10 -10.152  17.145   1.287
   65    HA   GLU  10           HA       GLU  10  -8.138  17.104   2.306
   66   1HB   GLU  10          1HB       GLU  10  -9.883  17.655   4.673
   67   2HB   GLU  10          2HB       GLU  10  -8.205  17.187   4.950
   68   1HG   GLU  10          1HG       GLU  10  -7.395  18.978   3.498
   69   2HG   GLU  10          2HG       GLU  10  -9.056  19.475   3.147
   70    H    ASP  11           H        ASP  11  -7.296  15.302   1.677
   71    HA   ASP  11           HA       ASP  11  -7.368  12.951   3.527
   72   1HB   ASP  11          1HB       ASP  11  -7.350  12.854   0.478
   73   2HB   ASP  11          2HB       ASP  11  -7.162  11.474   1.567
   74    H    ALA  12           H        ALA  12  -5.629  14.079   0.653
   75    HA   ALA  12           HA       ALA  12  -3.477  14.414   0.120
   76   1HB   ALA  12          1HB       ALA  12  -1.732  14.840   1.836
   77   2HB   ALA  12          2HB       ALA  12  -3.199  15.790   2.125
   78   3HB   ALA  12          3HB       ALA  12  -2.840  14.353   3.105
   79    HA   PRO  13           HA       PRO  13  -2.019  10.254  -0.202
   80   1HB   PRO  13          1HB       PRO  13   0.607  10.586  -1.027
   81   2HB   PRO  13          2HB       PRO  13  -0.828  10.745  -2.080
   82   1HG   PRO  13          1HG       PRO  13   0.912  12.890  -0.950
   83   2HG   PRO  13          2HG       PRO  13  -0.110  12.902  -2.419
   84   1HD   PRO  13          1HD       PRO  13  -0.703  14.037   0.118
   85   2HD   PRO  13          2HD       PRO  13  -1.822  13.880  -1.261
   86    H    ALA  14           H        ALA  14  -1.121   8.764   1.095
   87    HA   ALA  14           HA       ALA  14   0.107   7.707   2.674
   88   1HB   ALA  14          1HB       ALA  14   1.613  10.083   3.676
   89   2HB   ALA  14          2HB       ALA  14   2.145   8.417   3.384
   90   3HB   ALA  14          3HB       ALA  14   1.946   9.535   2.017
   91    H    GLU  15           H        GLU  15  -2.374   9.526   3.113
   92    HA   GLU  15           HA       GLU  15  -2.362   9.560   6.073
   93   1HB   GLU  15          1HB       GLU  15  -3.088  11.431   4.012
   94   2HB   GLU  15          2HB       GLU  15  -4.561  10.969   4.842
   95   1HG   GLU  15          1HG       GLU  15  -3.681  12.918   5.938
   96   2HG   GLU  15          2HG       GLU  15  -3.457  11.560   7.034
   97    H    ASP  16           H        ASP  16  -3.384   7.594   3.834
   98    HA   ASP  16           HA       ASP  16  -5.248   6.057   5.409
   99   1HB   ASP  16          1HB       ASP  16  -6.412   8.033   3.501
  100   2HB   ASP  16          2HB       ASP  16  -6.998   6.395   3.299
  101    H    LEU  17           H        LEU  17  -4.205   6.758   2.056
  102    HA   LEU  17           HA       LEU  17  -4.553   4.236   0.925
  103   1HB   LEU  17          1HB       LEU  17  -3.891   6.284  -0.287
  104   2HB   LEU  17          2HB       LEU  17  -2.289   6.228   0.425
  105    HG   LEU  17           HG       LEU  17  -2.397   5.517  -1.910
  106   1HD1  LEU  17          1HD1      LEU  17  -0.756   4.456  -0.079
  107   2HD1  LEU  17          2HD1      LEU  17  -1.520   2.964  -0.642
  108   3HD1  LEU  17          3HD1      LEU  17  -0.703   4.023  -1.788
  109   1HD2  LEU  17          1HD2      LEU  17  -4.714   4.220  -1.396
  110   2HD2  LEU  17          2HD2      LEU  17  -3.694   3.888  -2.799
  111   3HD2  LEU  17          3HD2      LEU  17  -3.606   2.843  -1.362
  112    H    ALA  18           H        ALA  18  -1.978   5.255   3.056
  113    HA   ALA  18           HA       ALA  18  -0.266   2.950   2.875
  114   1HB   ALA  18          1HB       ALA  18  -0.009   4.453   5.371
  115   2HB   ALA  18          2HB       ALA  18   1.107   4.295   4.009
  116   3HB   ALA  18          3HB       ALA  18  -0.136   5.553   4.005
  117    H    GLN  19           H        GLN  19  -2.935   2.193   3.189
  118    HA   GLN  19           HA       GLN  19  -2.761   0.296   5.359
  119   1HB   GLN  19          1HB       GLN  19  -3.842   2.558   6.188
  120   2HB   GLN  19          2HB       GLN  19  -5.271   1.989   5.341
  121   1HG   GLN  19          1HG       GLN  19  -5.601   0.200   6.816
  122   2HG   GLN  19          2HG       GLN  19  -3.880   0.009   7.135
  123   1HE2  GLN  19          1HE2      GLN  19  -3.664   0.142   9.342
  124   2HE2  GLN  19          2HE2      GLN  19  -4.249   1.567  10.212
  125    H    TYR  20           H        TYR  20  -4.663   1.703   2.675
  126    HA   TYR  20           HA       TYR  20  -6.471  -0.414   2.234
  127   1HB   TYR  20          1HB       TYR  20  -6.556   1.819   1.116
  128   2HB   TYR  20          2HB       TYR  20  -5.109   1.416   0.212
  129    HD1  TYR  20           HD1      TYR  20  -8.335  -0.433   0.917
  130    HD2  TYR  20           HD2      TYR  20  -5.594   1.080  -2.056
  131    HE1  TYR  20           HE1      TYR  20  -9.720  -1.440  -0.865
  132    HE2  TYR  20           HE2      TYR  20  -7.000   0.078  -3.840
  133    HH   TYR  20           HH       TYR  20  -9.827  -1.930  -3.072
  134    H    ALA  21           H        ALA  21  -3.301   0.104   0.718
  135    HA   ALA  21           HA       ALA  21  -3.191  -2.418  -0.676
  136   1HB   ALA  21          1HB       ALA  21  -1.761  -0.581  -1.344
  137   2HB   ALA  21          2HB       ALA  21  -0.991  -0.526   0.261
  138   3HB   ALA  21          3HB       ALA  21  -0.729  -1.922  -0.803
  139    H    ALA  22           H        ALA  22  -2.587  -1.606   2.673
  140    HA   ALA  22           HA       ALA  22  -1.059  -4.013   3.357
  141   1HB   ALA  22          1HB       ALA  22  -0.447  -2.599   4.990
  142   2HB   ALA  22          2HB       ALA  22  -1.765  -1.474   4.649
  143   3HB   ALA  22          3HB       ALA  22  -2.041  -2.859   5.719
  144    H    ASP  23           H        ASP  23  -4.412  -2.793   4.027
  145    HA   ASP  23           HA       ASP  23  -5.423  -5.088   5.292
  146   1HB   ASP  23          1HB       ASP  23  -6.451  -2.632   4.424
  147   2HB   ASP  23          2HB       ASP  23  -7.292  -3.771   3.385
  148    H    LEU  24           H        LEU  24  -5.324  -4.247   1.806
  149    HA   LEU  24           HA       LEU  24  -6.425  -6.775   0.941
  150   1HB   LEU  24          1HB       LEU  24  -4.701  -4.778  -0.578
  151   2HB   LEU  24          2HB       LEU  24  -5.530  -6.170  -1.277
  152    HG   LEU  24           HG       LEU  24  -6.667  -3.565  -0.286
  153   1HD1  LEU  24          1HD1      LEU  24  -6.384  -4.864  -2.821
  154   2HD1  LEU  24          2HD1      LEU  24  -8.107  -4.716  -2.469
  155   3HD1  LEU  24          3HD1      LEU  24  -7.067  -3.281  -2.437
  156   1HD2  LEU  24          1HD2      LEU  24  -8.315  -6.108  -0.353
  157   2HD2  LEU  24          2HD2      LEU  24  -8.006  -5.047   1.050
  158   3HD2  LEU  24          3HD2      LEU  24  -8.968  -4.453  -0.291
  159    H    ARG  25           H        ARG  25  -3.048  -5.769   1.510
  160    HA   ARG  25           HA       ARG  25  -1.841  -8.252   0.682
  161   1HB   ARG  25          1HB       ARG  25  -1.054  -5.793   2.131
  162   2HB   ARG  25          2HB       ARG  25  -0.268  -7.162   2.784
  163   1HG   ARG  25          1HG       ARG  25  -0.215  -7.012  -0.219
  164   2HG   ARG  25          2HG       ARG  25   0.591  -5.701   0.624
  165   1HD   ARG  25          1HD       ARG  25   2.319  -7.229   0.423
  166   2HD   ARG  25          2HD       ARG  25   1.737  -7.533   2.055
  167    HE   ARG  25           HE       ARG  25   0.535  -9.203  -0.064
  168   1HH1  ARG  25          1HH1      ARG  25   3.012  -9.041   2.356
  169   2HH1  ARG  25          2HH1      ARG  25   3.441 -10.728   2.243
  170   1HH2  ARG  25          1HH2      ARG  25   1.027 -11.402  -0.165
  171   2HH2  ARG  25          2HH2      ARG  25   2.295 -12.036   0.840
  172    H    HIS  26           H        HIS  26  -3.238  -7.234   3.773
  173    HA   HIS  26           HA       HIS  26  -2.427  -9.576   5.243
  174   1HB   HIS  26          1HB       HIS  26  -3.035  -7.341   6.231
  175   2HB   HIS  26          2HB       HIS  26  -4.719  -7.659   5.826
  176    HD2  HIS  26           HD2      HIS  26  -5.986  -9.608   7.268
  177    HE1  HIS  26           HE1      HIS  26  -2.941 -10.155  10.177
  178    H    TYR  27           H        TYR  27  -5.573  -8.577   3.823
  179    HA   TYR  27           HA       TYR  27  -7.040 -10.934   4.231
  180   1HB   TYR  27          1HB       TYR  27  -7.363  -8.521   2.747
  181   2HB   TYR  27          2HB       TYR  27  -7.574  -9.804   1.588
  182    HD1  TYR  27           HD1      TYR  27  -8.718  -8.532   4.901
  183    HD2  TYR  27           HD2      TYR  27  -9.598 -11.071   1.518
  184    HE1  TYR  27           HE1      TYR  27 -11.061  -8.760   5.684
  185    HE2  TYR  27           HE2      TYR  27 -11.959 -11.287   2.298
  186    HH   TYR  27           HH       TYR  27 -13.157  -9.483   5.121
  187    H    ILE  28           H        ILE  28  -5.025 -10.110   1.314
  188    HA   ILE  28           HA       ILE  28  -5.384 -12.624   0.088
  189    HB   ILE  28           HB       ILE  28  -3.982 -10.330  -0.487
  190   2HG1  ILE  28          2HG1      ILE  28  -5.280 -11.950  -1.969
  191   1HG2  ILE  28          1HG2      ILE  28  -1.707 -10.972  -1.203
  192   2HG2  ILE  28          2HG2      ILE  28  -1.904 -11.037   0.536
  193   3HG2  ILE  28          3HG2      ILE  28  -1.901 -12.542  -0.409
  194   1HD1  ILE  28          1HD1      ILE  28  -3.199 -11.429  -3.802
  195   2HD1  ILE  28          2HD1      ILE  28  -4.663 -10.460  -3.504
  196   3HD1  ILE  28          3HD1      ILE  28  -3.166 -10.078  -2.663
  197    H    ASN  29           H        ASN  29  -2.883 -11.678   2.452
  198    HA   ASN  29           HA       ASN  29  -1.586 -14.235   2.507
  199   1HB   ASN  29          1HB       ASN  29  -1.438 -11.731   4.004
  200   2HB   ASN  29          2HB       ASN  29  -1.397 -13.066   5.116
  201   1HD2  ASN  29          1HD2      ASN  29   0.772 -11.238   4.651
  202   2HD2  ASN  29          2HD2      ASN  29   2.064 -12.306   4.091
  203    H    LEU  30           H        LEU  30  -4.498 -13.120   4.132
  204    HA   LEU  30           HA       LEU  30  -4.747 -15.476   5.821
  205   1HB   LEU  30          1HB       LEU  30  -6.322 -13.006   5.190
  206   2HB   LEU  30          2HB       LEU  30  -7.282 -14.388   5.692
  207    HG   LEU  30           HG       LEU  30  -4.902 -13.338   7.274
  208   1HD1  LEU  30          1HD1      LEU  30  -6.495 -12.219   8.706
  209   2HD1  LEU  30          2HD1      LEU  30  -6.799 -11.686   7.045
  210   3HD1  LEU  30          3HD1      LEU  30  -7.873 -12.874   7.804
  211   1HD2  LEU  30          1HD2      LEU  30  -5.889 -14.658   9.117
  212   2HD2  LEU  30          2HD2      LEU  30  -7.213 -15.192   8.047
  213   3HD2  LEU  30          3HD2      LEU  30  -5.551 -15.727   7.750
  214    H    ILE  31           H        ILE  31  -6.335 -14.399   2.834
  215    HA   ILE  31           HA       ILE  31  -7.885 -16.792   2.434
  216    HB   ILE  31           HB       ILE  31  -7.102 -14.440   0.701
  217   2HG1  ILE  31          2HG1      ILE  31  -9.877 -15.561   1.266
  218   1HG2  ILE  31          1HG2      ILE  31  -8.519 -16.960  -0.241
  219   2HG2  ILE  31          2HG2      ILE  31  -8.594 -15.419  -1.110
  220   3HG2  ILE  31          3HG2      ILE  31  -7.041 -16.242  -0.924
  221   1HD1  ILE  31          1HD1      ILE  31  -8.538 -13.403   2.941
  222   2HD1  ILE  31          2HD1      ILE  31 -10.250 -13.827   2.957
  223   3HD1  ILE  31          3HD1      ILE  31  -9.056 -15.007   3.509
  224    H    THR  32           H        THR  32  -4.690 -15.792   1.032
  225    HA   THR  32           HA       THR  32  -4.290 -18.170  -0.430
  226    HB   THR  32           HB       THR  32  -2.874 -15.989  -0.318
  227    HG1  THR  32           HG1      THR  32  -1.845 -18.590  -0.667
  228   1HG2  THR  32          1HG2      THR  32  -2.074 -16.465   2.095
  229   2HG2  THR  32          2HG2      THR  32  -1.020 -17.688   1.371
  230   3HG2  THR  32          3HG2      THR  32  -0.871 -15.979   0.903
  231    H    ARG  33           H        ARG  33  -3.806 -17.568   3.042
  232    HA   ARG  33           HA       ARG  33  -2.727 -20.247   3.473
  233   1HB   ARG  33          1HB       ARG  33  -2.357 -17.974   4.818
  234   2HB   ARG  33          2HB       ARG  33  -3.785 -18.519   5.707
  235   1HG   ARG  33          1HG       ARG  33  -2.313 -20.801   5.821
  236   2HG   ARG  33          2HG       ARG  33  -1.003 -19.686   5.449
  237   1HD   ARG  33          1HD       ARG  33  -0.906 -19.433   7.708
  238   2HD   ARG  33          2HD       ARG  33  -2.235 -18.292   7.448
  239    HE   ARG  33           HE       ARG  33  -3.112 -21.056   7.748
  240   1HH1  ARG  33          1HH1      ARG  33  -2.560 -18.100   9.471
  241   2HH1  ARG  33          2HH1      ARG  33  -3.480 -18.584  10.875
  242   1HH2  ARG  33          1HH2      ARG  33  -4.175 -21.748   9.615
  243   2HH2  ARG  33          2HH2      ARG  33  -4.332 -20.663  10.955
  244    H    GLN  34           H        GLN  34  -5.657 -19.505   2.585
  245    HA   GLN  34           HA       GLN  34  -6.901 -21.896   3.606
  246   1HB   GLN  34          1HB       GLN  34  -7.184 -20.190   5.488
  247   2HB   GLN  34          2HB       GLN  34  -8.162 -19.223   4.390
  248   1HG   GLN  34          1HG       GLN  34  -9.461 -20.685   5.992
  249   2HG   GLN  34          2HG       GLN  34  -9.870 -20.944   4.304
  250   1HE2  GLN  34          1HE2      GLN  34 -10.390 -23.135   4.092
  251   2HE2  GLN  34          2HE2      GLN  34  -9.282 -24.381   4.684
  252    H    ARG  35           H        ARG  35  -6.374 -21.538   1.043
  253    HA   ARG  35           HA       ARG  35  -9.043 -21.401  -0.152
  254   1HB   ARG  35          1HB       ARG  35  -7.862 -19.099  -0.319
  255   2HB   ARG  35          2HB       ARG  35  -6.785 -19.835  -1.478
  256   1HG   ARG  35          1HG       ARG  35  -9.669 -20.289  -2.049
  257   2HG   ARG  35          2HG       ARG  35  -9.295 -18.589  -1.796
  258   1HD   ARG  35          1HD       ARG  35  -7.322 -18.966  -3.445
  259   2HD   ARG  35          2HD       ARG  35  -8.202 -20.437  -3.922
  260    HE   ARG  35           HE       ARG  35 -10.090 -18.400  -3.975
  261   1HH1  ARG  35          1HH1      ARG  35  -7.085 -18.992  -5.650
  262   2HH1  ARG  35          2HH1      ARG  35  -7.468 -17.938  -6.987
  263   1HH2  ARG  35          1HH2      ARG  35 -10.604 -17.129  -5.739
  264   2HH2  ARG  35          2HH2      ARG  35  -9.499 -16.989  -7.078
  265    H    TYR  36           H        TYR  36  -8.733 -22.065  -2.567
  266    HA   TYR  36           HA       TYR  36  -8.330 -23.833  -3.952
  267   1HB   TYR  36          1HB       TYR  36  -5.955 -23.939  -4.712
  268   2HB   TYR  36          2HB       TYR  36  -6.675 -22.347  -4.696
  269    HD1  TYR  36           HD1      TYR  36  -5.652 -20.543  -3.520
  270    HD2  TYR  36           HD2      TYR  36  -4.382 -24.586  -2.736
  271    HE1  TYR  36           HE1      TYR  36  -3.787 -19.682  -2.118
  272    HE2  TYR  36           HE2      TYR  36  -2.521 -23.723  -1.344
  273    HH   TYR  36           HH       TYR  36  -1.180 -21.118  -1.632
  274   1HN   NH2  37          1HN       NH2  37  -8.550 -24.701  -1.048
  275   2HN   NH2  37          2HN       NH2  37  -7.564 -26.164  -1.012
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1 -23.497  10.626  -5.290
    2   2H    TYR   1          2H        TYR   1 -23.272  10.270  -3.697
    3   3H    TYR   1          3H        TYR   1 -22.507  11.560  -4.373
    4    HA   TYR   1           HA       TYR   1 -20.965   9.752  -4.072
    5   1HB   TYR   1          1HB       TYR   1 -21.245   7.660  -5.284
    6   2HB   TYR   1          2HB       TYR   1 -22.511   7.906  -4.102
    7    HD1  TYR   1           HD1      TYR   1 -21.783   7.245  -7.578
    8    HD2  TYR   1           HD2      TYR   1 -24.857   8.734  -4.923
    9    HE1  TYR   1           HE1      TYR   1 -23.474   7.048  -9.399
   10    HE2  TYR   1           HE2      TYR   1 -26.503   8.582  -6.760
   11    HH   TYR   1           HH       TYR   1 -26.515   6.889  -9.100
   12    HA   PRO   2           HA       PRO   2 -19.884  12.007  -7.877
   13   1HB   PRO   2          1HB       PRO   2 -17.526  13.109  -6.991
   14   2HB   PRO   2          2HB       PRO   2 -19.140  13.834  -6.726
   15   1HG   PRO   2          1HG       PRO   2 -17.395  12.363  -4.778
   16   2HG   PRO   2          2HG       PRO   2 -18.594  13.658  -4.485
   17   1HD   PRO   2          1HD       PRO   2 -18.962  10.850  -4.143
   18   2HD   PRO   2          2HD       PRO   2 -20.237  12.109  -4.077
   19    H    SER   3           H        SER   3 -18.009  11.749  -9.310
   20    HA   SER   3           HA       SER   3 -15.938   9.801  -8.789
   21   1HB   SER   3          1HB       SER   3 -18.017   8.335  -9.154
   22   2HB   SER   3          2HB       SER   3 -18.013   8.899 -10.826
   23    HG   SER   3           HG       SER   3 -15.717   8.154 -10.808
   24    H    LYS   4           H        LYS   4 -14.538  11.299  -9.607
   25    HA   LYS   4           HA       LYS   4 -13.856  11.528 -12.273
   26   1HB   LYS   4          1HB       LYS   4 -16.084  13.351 -11.664
   27   2HB   LYS   4          2HB       LYS   4 -14.667  14.250 -12.170
   28   1HG   LYS   4          1HG       LYS   4 -15.511  11.825 -13.773
   29   2HG   LYS   4          2HG       LYS   4 -16.387  13.347 -13.961
   30   1HD   LYS   4          1HD       LYS   4 -14.525  14.504 -14.779
   31   2HD   LYS   4          2HD       LYS   4 -13.353  13.345 -14.109
   32   1HE   LYS   4          1HE       LYS   4 -13.907  11.668 -15.696
   33   2HE   LYS   4          2HE       LYS   4 -15.336  12.537 -16.263
   34   1HZ   LYS   4          1HZ       LYS   4 -13.990  14.140 -17.299
   35   2HZ   LYS   4          2HZ       LYS   4 -12.632  13.691 -16.496
   36   3HZ   LYS   4          3HZ       LYS   4 -13.239  12.705 -17.669
   37    HA   PRO   5           HA       PRO   5 -11.263  14.684  -9.906
   38   1HB   PRO   5          1HB       PRO   5 -12.008  15.585  -7.405
   39   2HB   PRO   5          2HB       PRO   5 -12.470  16.385  -8.934
   40   1HG   PRO   5          1HG       PRO   5 -14.143  14.681  -7.127
   41   2HG   PRO   5          2HG       PRO   5 -14.631  16.015  -8.210
   42   1HD   PRO   5          1HD       PRO   5 -14.818  13.232  -8.706
   43   2HD   PRO   5          2HD       PRO   5 -15.075  14.546  -9.890
   44    H    ASP   6           H        ASP   6  -9.518  14.233  -8.517
   45    HA   ASP   6           HA       ASP   6  -9.640  12.382  -6.332
   46   1HB   ASP   6          1HB       ASP   6  -9.688  10.781  -8.236
   47   2HB   ASP   6          2HB       ASP   6  -8.260  11.551  -8.936
   48    H    ASN   7           H        ASN   7  -7.401  12.178  -5.412
   49    HA   ASN   7           HA       ASN   7  -6.000  14.667  -5.319
   50   1HB   ASN   7          1HB       ASN   7  -5.599  11.878  -4.254
   51   2HB   ASN   7          2HB       ASN   7  -4.193  12.934  -4.279
   52   1HD2  ASN   7          1HD2      ASN   7  -3.879  13.794  -2.254
   53   2HD2  ASN   7          2HD2      ASN   7  -5.217  14.304  -1.234
   54    HA   PRO   8           HA       PRO   8  -3.213  14.256  -8.745
   55   1HB   PRO   8          1HB       PRO   8  -1.013  15.693  -7.924
   56   2HB   PRO   8          2HB       PRO   8  -2.543  16.404  -8.478
   57   1HG   PRO   8          1HG       PRO   8  -1.518  16.134  -5.684
   58   2HG   PRO   8          2HG       PRO   8  -2.580  17.381  -6.381
   59   1HD   PRO   8          1HD       PRO   8  -3.374  15.159  -4.820
   60   2HD   PRO   8          2HD       PRO   8  -4.457  16.192  -5.801
   61    H    GLY   9           H        GLY   9  -2.706  12.150  -8.936
   62   1HA   GLY   9          1HA       GLY   9  -0.196  11.145  -8.822
   63   2HA   GLY   9          2HA       GLY   9  -0.802  10.754  -7.212
   64    H    GLU  10           H        GLU  10  -2.933   9.584  -7.150
   65    HA   GLU  10           HA       GLU  10  -4.012   8.236  -9.343
   66   1HB   GLU  10          1HB       GLU  10  -1.703   7.023  -9.173
   67   2HB   GLU  10          2HB       GLU  10  -2.333   6.274  -7.725
   68   1HG   GLU  10          1HG       GLU  10  -3.650   4.845  -8.918
   69   2HG   GLU  10          2HG       GLU  10  -4.200   6.090 -10.027
   70    H    ASP  11           H        ASP  11  -3.329   7.914  -5.898
   71    HA   ASP  11           HA       ASP  11  -6.019   8.177  -5.023
   72   1HB   ASP  11          1HB       ASP  11  -5.962   5.699  -5.881
   73   2HB   ASP  11          2HB       ASP  11  -4.939   5.372  -4.517
   74    H    ALA  12           H        ALA  12  -5.152   9.663  -3.524
   75    HA   ALA  12           HA       ALA  12  -3.885  10.512  -1.788
   76   1HB   ALA  12          1HB       ALA  12  -5.690   8.510  -1.053
   77   2HB   ALA  12          2HB       ALA  12  -4.260   8.153  -0.088
   78   3HB   ALA  12          3HB       ALA  12  -5.000   9.766  -0.024
   79    HA   PRO  13           HA       PRO  13  -0.023   8.086  -2.840
   80   1HB   PRO  13          1HB       PRO  13   1.558  10.169  -3.734
   81   2HB   PRO  13          2HB       PRO  13   0.438   9.226  -4.759
   82   1HG   PRO  13          1HG       PRO  13   0.067  11.973  -3.616
   83   2HG   PRO  13          2HG       PRO  13  -0.537  11.280  -5.141
   84   1HD   PRO  13          1HD       PRO  13  -2.007  11.600  -2.765
   85   2HD   PRO  13          2HD       PRO  13  -2.474  10.555  -4.137
   86    H    ALA  14           H        ALA  14   0.748   7.530  -0.937
   87    HA   ALA  14           HA       ALA  14   1.929   7.496   0.983
   88   1HB   ALA  14          1HB       ALA  14   3.750   8.857   1.281
   89   2HB   ALA  14          2HB       ALA  14   3.464   9.111  -0.447
   90   3HB   ALA  14          3HB       ALA  14   2.914  10.319   0.729
   91    H    GLU  15           H        GLU  15  -0.924   8.298   0.926
   92    HA   GLU  15           HA       GLU  15  -1.089   9.807   3.476
   93   1HB   GLU  15          1HB       GLU  15  -1.890  10.811   1.162
   94   2HB   GLU  15          2HB       GLU  15  -3.200   9.667   1.360
   95   1HG   GLU  15          1HG       GLU  15  -3.184  10.847   3.855
   96   2HG   GLU  15          2HG       GLU  15  -2.556  12.172   2.871
   97    H    ASP  16           H        ASP  16  -4.078   8.991   3.129
   98    HA   ASP  16           HA       ASP  16  -4.051   6.882   5.077
   99   1HB   ASP  16          1HB       ASP  16  -5.921   8.656   4.291
  100   2HB   ASP  16          2HB       ASP  16  -6.476   7.288   3.339
  101    H    LEU  17           H        LEU  17  -3.715   6.743   1.696
  102    HA   LEU  17           HA       LEU  17  -4.485   4.096   1.010
  103   1HB   LEU  17          1HB       LEU  17  -3.835   5.792  -0.646
  104   2HB   LEU  17          2HB       LEU  17  -2.206   5.844   0.037
  105    HG   LEU  17           HG       LEU  17  -1.877   3.457  -0.662
  106   1HD1  LEU  17          1HD1      LEU  17  -3.721   2.280  -1.091
  107   2HD1  LEU  17          2HD1      LEU  17  -4.710   3.708  -1.457
  108   3HD1  LEU  17          3HD1      LEU  17  -3.677   2.986  -2.699
  109   1HD2  LEU  17          1HD2      LEU  17  -1.636   5.764  -2.191
  110   2HD2  LEU  17          2HD2      LEU  17  -0.822   4.205  -2.400
  111   3HD2  LEU  17          3HD2      LEU  17  -2.317   4.566  -3.284
  112    H    ALA  18           H        ALA  18  -1.783   5.192   3.000
  113    HA   ALA  18           HA       ALA  18  -0.197   2.781   2.970
  114   1HB   ALA  18          1HB       ALA  18   0.934   4.713   3.632
  115   2HB   ALA  18          2HB       ALA  18  -0.369   5.246   4.722
  116   3HB   ALA  18          3HB       ALA  18   0.670   3.884   5.168
  117    H    GLN  19           H        GLN  19  -2.963   2.231   3.271
  118    HA   GLN  19           HA       GLN  19  -2.833   0.315   5.457
  119   1HB   GLN  19          1HB       GLN  19  -4.006   2.646   6.185
  120   2HB   GLN  19          2HB       GLN  19  -5.368   1.938   5.338
  121   1HG   GLN  19          1HG       GLN  19  -5.624   1.228   7.596
  122   2HG   GLN  19          2HG       GLN  19  -4.965  -0.188   6.775
  123   1HE2  GLN  19          1HE2      GLN  19  -3.545  -1.208   8.303
  124   2HE2  GLN  19          2HE2      GLN  19  -2.373  -0.225   9.192
  125    H    TYR  20           H        TYR  20  -4.712   1.716   2.706
  126    HA   TYR  20           HA       TYR  20  -6.538  -0.393   2.287
  127   1HB   TYR  20          1HB       TYR  20  -6.628   1.837   1.205
  128   2HB   TYR  20          2HB       TYR  20  -5.187   1.462   0.296
  129    HD1  TYR  20           HD1      TYR  20  -8.787   0.791   0.656
  130    HD2  TYR  20           HD2      TYR  20  -5.252  -0.036  -1.676
  131    HE1  TYR  20           HE1      TYR  20 -10.194  -0.194  -1.137
  132    HE2  TYR  20           HE2      TYR  20  -6.690  -1.019  -3.476
  133    HH   TYR  20           HH       TYR  20 -10.203  -1.282  -3.193
  134    H    ALA  21           H        ALA  21  -3.368   0.130   0.744
  135    HA   ALA  21           HA       ALA  21  -3.295  -2.360  -0.683
  136   1HB   ALA  21          1HB       ALA  21  -0.943  -0.699   0.324
  137   2HB   ALA  21          2HB       ALA  21  -0.938  -1.874  -1.009
  138   3HB   ALA  21          3HB       ALA  21  -1.861  -0.366  -1.168
  139    H    ALA  22           H        ALA  22  -2.628  -1.590   2.658
  140    HA   ALA  22           HA       ALA  22  -1.101  -3.988   3.318
  141   1HB   ALA  22          1HB       ALA  22  -2.377  -2.435   5.512
  142   2HB   ALA  22          2HB       ALA  22  -0.689  -2.927   5.280
  143   3HB   ALA  22          3HB       ALA  22  -1.314  -1.477   4.468
  144    H    ASP  23           H        ASP  23  -4.445  -2.780   3.996
  145    HA   ASP  23           HA       ASP  23  -5.468  -5.058   5.291
  146   1HB   ASP  23          1HB       ASP  23  -6.465  -2.576   4.363
  147   2HB   ASP  23          2HB       ASP  23  -7.368  -3.750   3.427
  148    H    LEU  24           H        LEU  24  -5.381  -4.239   1.805
  149    HA   LEU  24           HA       LEU  24  -6.538  -6.745   0.952
  150   1HB   LEU  24          1HB       LEU  24  -4.796  -4.782  -0.593
  151   2HB   LEU  24          2HB       LEU  24  -5.685  -6.136  -1.282
  152    HG   LEU  24           HG       LEU  24  -6.691  -3.474  -0.345
  153   1HD1  LEU  24          1HD1      LEU  24  -7.675  -5.341  -2.519
  154   2HD1  LEU  24          2HD1      LEU  24  -8.055  -3.620  -2.310
  155   3HD1  LEU  24          3HD1      LEU  24  -6.411  -4.107  -2.739
  156   1HD2  LEU  24          1HD2      LEU  24  -9.038  -4.274  -0.199
  157   2HD2  LEU  24          2HD2      LEU  24  -8.442  -5.950  -0.154
  158   3HD2  LEU  24          3HD2      LEU  24  -8.051  -4.806   1.152
  159    H    ARG  25           H        ARG  25  -3.139  -5.764   1.428
  160    HA   ARG  25           HA       ARG  25  -1.936  -8.252   0.642
  161   1HB   ARG  25          1HB       ARG  25  -1.149  -5.775   2.078
  162   2HB   ARG  25          2HB       ARG  25  -0.335  -7.145   2.726
  163   1HG   ARG  25          1HG       ARG  25  -0.383  -7.041  -0.270
  164   2HG   ARG  25          2HG       ARG  25   0.490  -5.720   0.511
  165   1HD   ARG  25          1HD       ARG  25   2.028  -7.157   1.589
  166   2HD   ARG  25          2HD       ARG  25   0.967  -8.559   1.423
  167    HE   ARG  25           HE       ARG  25   1.752  -8.979  -0.669
  168   1HH1  ARG  25          1HH1      ARG  25   2.940  -5.781   0.169
  169   2HH1  ARG  25          2HH1      ARG  25   4.025  -5.714  -1.188
  170   1HH2  ARG  25          1HH2      ARG  25   3.045  -8.795  -2.452
  171   2HH2  ARG  25          2HH2      ARG  25   4.040  -7.384  -2.684
  172    H    HIS  26           H        HIS  26  -3.186  -7.208   3.786
  173    HA   HIS  26           HA       HIS  26  -2.397  -9.565   5.217
  174   1HB   HIS  26          1HB       HIS  26  -2.983  -7.279   6.177
  175   2HB   HIS  26          2HB       HIS  26  -4.669  -7.674   5.889
  176    HD2  HIS  26           HD2      HIS  26  -5.845  -9.345   7.593
  177    HE1  HIS  26           HE1      HIS  26  -2.491 -10.212  10.056
  178    H    TYR  27           H        TYR  27  -5.559  -8.541   3.801
  179    HA   TYR  27           HA       TYR  27  -7.013 -10.904   4.218
  180   1HB   TYR  27          1HB       TYR  27  -7.195  -8.575   2.434
  181   2HB   TYR  27          2HB       TYR  27  -7.686 -10.022   1.615
  182    HD1  TYR  27           HD1      TYR  27  -9.250 -11.672   3.058
  183    HD2  TYR  27           HD2      TYR  27  -8.877  -7.409   3.614
  184    HE1  TYR  27           HE1      TYR  27 -11.575 -11.594   3.949
  185    HE2  TYR  27           HE2      TYR  27 -11.204  -7.336   4.504
  186    HH   TYR  27           HH       TYR  27 -13.265 -10.237   4.748
  187    H    ILE  28           H        ILE  28  -4.988 -10.123   1.286
  188    HA   ILE  28           HA       ILE  28  -5.335 -12.665   0.141
  189    HB   ILE  28           HB       ILE  28  -3.958 -10.363  -0.493
  190   2HG1  ILE  28          2HG1      ILE  28  -5.280 -12.167  -1.902
  191   1HG2  ILE  28          1HG2      ILE  28  -1.736 -10.992  -1.299
  192   2HG2  ILE  28          2HG2      ILE  28  -1.847 -11.084   0.452
  193   3HG2  ILE  28          3HG2      ILE  28  -1.891 -12.573  -0.516
  194   1HD1  ILE  28          1HD1      ILE  28  -4.649  -9.933  -2.722
  195   2HD1  ILE  28          2HD1      ILE  28  -3.034 -10.542  -3.148
  196   3HD1  ILE  28          3HD1      ILE  28  -4.466 -11.186  -3.965
  197    H    ASN  29           H        ASN  29  -2.829 -11.671   2.455
  198    HA   ASN  29           HA       ASN  29  -1.489 -14.188   2.596
  199   1HB   ASN  29          1HB       ASN  29  -1.482 -11.673   4.093
  200   2HB   ASN  29          2HB       ASN  29  -1.472 -13.006   5.218
  201   1HD2  ASN  29          1HD2      ASN  29   0.355 -11.306   2.799
  202   2HD2  ASN  29          2HD2      ASN  29   1.812 -12.306   3.024
  203    H    LEU  30           H        LEU  30  -4.457 -13.168   4.156
  204    HA   LEU  30           HA       LEU  30  -4.729 -15.572   5.816
  205   1HB   LEU  30          1HB       LEU  30  -6.226 -13.050   5.235
  206   2HB   LEU  30          2HB       LEU  30  -7.244 -14.412   5.627
  207    HG   LEU  30           HG       LEU  30  -4.827 -13.823   7.373
  208   1HD1  LEU  30          1HD1      LEU  30  -7.491 -12.390   7.650
  209   2HD1  LEU  30          2HD1      LEU  30  -6.054 -12.258   8.706
  210   3HD1  LEU  30          3HD1      LEU  30  -5.977 -11.676   7.041
  211   1HD2  LEU  30          1HD2      LEU  30  -7.479 -15.250   7.660
  212   2HD2  LEU  30          2HD2      LEU  30  -5.849 -15.763   8.144
  213   3HD2  LEU  30          3HD2      LEU  30  -6.725 -14.547   9.096
  214    H    ILE  31           H        ILE  31  -6.309 -14.347   2.849
  215    HA   ILE  31           HA       ILE  31  -7.901 -16.627   2.336
  216    HB   ILE  31           HB       ILE  31  -6.785 -14.653   0.325
  217   2HG1  ILE  31          2HG1      ILE  31  -8.367 -13.803   2.345
  218   1HG2  ILE  31          1HG2      ILE  31  -8.898 -16.827   0.210
  219   2HG2  ILE  31          2HG2      ILE  31  -9.123 -15.395  -0.791
  220   3HG2  ILE  31          3HG2      ILE  31  -7.674 -16.381  -1.005
  221   1HD1  ILE  31          1HD1      ILE  31  -7.679 -12.295   0.596
  222   2HD1  ILE  31          2HD1      ILE  31  -8.657 -13.122  -0.614
  223   3HD1  ILE  31          3HD1      ILE  31  -9.447 -12.204   0.685
  224    H    THR  32           H        THR  32  -4.588 -15.844   1.067
  225    HA   THR  32           HA       THR  32  -4.245 -18.187  -0.478
  226    HB   THR  32           HB       THR  32  -2.793 -16.034  -0.175
  227    HG1  THR  32           HG1      THR  32  -1.093 -17.151  -1.101
  228   1HG2  THR  32          1HG2      THR  32  -2.072 -16.694   2.212
  229   2HG2  THR  32          2HG2      THR  32  -1.028 -17.902   1.431
  230   3HG2  THR  32          3HG2      THR  32  -0.818 -16.167   1.089
  231    H    ARG  33           H        ARG  33  -4.080 -17.768   2.998
  232    HA   ARG  33           HA       ARG  33  -2.978 -20.439   3.457
  233   1HB   ARG  33          1HB       ARG  33  -3.108 -18.014   4.916
  234   2HB   ARG  33          2HB       ARG  33  -4.176 -19.068   5.792
  235   1HG   ARG  33          1HG       ARG  33  -2.428 -20.053   6.775
  236   2HG   ARG  33          2HG       ARG  33  -1.774 -20.595   5.232
  237   1HD   ARG  33          1HD       ARG  33  -0.342 -18.756   5.012
  238   2HD   ARG  33          2HD       ARG  33  -1.316 -17.732   6.079
  239    HE   ARG  33           HE       ARG  33  -0.238 -19.983   7.510
  240   1HH1  ARG  33          1HH1      ARG  33   0.650 -16.799   6.349
  241   2HH1  ARG  33          2HH1      ARG  33   1.710 -16.472   7.696
  242   1HH2  ARG  33          1HH2      ARG  33   1.221 -19.580   9.182
  243   2HH2  ARG  33          2HH2      ARG  33   2.040 -18.049   9.242
  244    H    GLN  34           H        GLN  34  -5.875 -19.576   2.462
  245    HA   GLN  34           HA       GLN  34  -7.223 -22.033   3.291
  246   1HB   GLN  34          1HB       GLN  34  -9.107 -21.007   4.392
  247   2HB   GLN  34          2HB       GLN  34  -7.632 -20.635   5.261
  248   1HG   GLN  34          1HG       GLN  34  -7.913 -18.411   5.041
  249   2HG   GLN  34          2HG       GLN  34  -8.217 -18.529   3.315
  250   1HE2  GLN  34          1HE2      GLN  34 -10.132 -17.377   2.949
  251   2HE2  GLN  34          2HE2      GLN  34 -11.589 -17.689   3.913
  252    H    ARG  35           H        ARG  35  -6.523 -21.323   0.708
  253    HA   ARG  35           HA       ARG  35  -9.157 -21.206  -0.572
  254   1HB   ARG  35          1HB       ARG  35  -8.089 -18.848  -0.391
  255   2HB   ARG  35          2HB       ARG  35  -6.957 -19.375  -1.623
  256   1HG   ARG  35          1HG       ARG  35  -9.783 -19.869  -2.373
  257   2HG   ARG  35          2HG       ARG  35  -9.556 -18.223  -1.806
  258   1HD   ARG  35          1HD       ARG  35  -7.500 -18.180  -3.451
  259   2HD   ARG  35          2HD       ARG  35  -8.309 -19.570  -4.199
  260    HE   ARG  35           HE       ARG  35 -10.100 -17.322  -3.743
  261   1HH1  ARG  35          1HH1      ARG  35  -7.673 -18.429  -6.021
  262   2HH1  ARG  35          2HH1      ARG  35  -8.251 -17.387  -7.294
  263   1HH2  ARG  35          1HH2      ARG  35 -10.810 -16.015  -5.442
  264   2HH2  ARG  35          2HH2      ARG  35 -10.001 -16.089  -6.978
  265    H    TYR  36           H        TYR  36  -8.634 -21.405  -3.088
  266    HA   TYR  36           HA       TYR  36  -8.135 -22.878  -4.724
  267   1HB   TYR  36          1HB       TYR  36  -5.935 -22.688  -5.530
  268   2HB   TYR  36          2HB       TYR  36  -6.333 -21.177  -4.745
  269    HD1  TYR  36           HD1      TYR  36  -4.213 -24.185  -4.644
  270    HD2  TYR  36           HD2      TYR  36  -5.149 -20.468  -2.669
  271    HE1  TYR  36           HE1      TYR  36  -2.212 -24.456  -3.191
  272    HE2  TYR  36           HE2      TYR  36  -3.121 -20.728  -1.256
  273    HH   TYR  36           HH       TYR  36  -1.189 -23.678  -1.194
  274   1HN   NH2  37          1HN       NH2  37  -8.314 -24.291  -1.915
  275   2HN   NH2  37          2HN       NH2  37  -7.427 -25.777  -2.246
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1  16.423  13.668  -6.548
    2   2H    TYR   1          2H        TYR   1  16.004  14.319  -5.095
    3   3H    TYR   1          3H        TYR   1  15.891  12.697  -5.336
    4    HA   TYR   1           HA       TYR   1  13.704  13.712  -5.404
    5   1HB   TYR   1          1HB       TYR   1  15.132  15.436  -7.423
    6   2HB   TYR   1          2HB       TYR   1  13.403  15.176  -7.588
    7    HD1  TYR   1           HD1      TYR   1  15.951  16.969  -5.672
    8    HD2  TYR   1           HD2      TYR   1  11.782  15.844  -5.868
    9    HE1  TYR   1           HE1      TYR   1  15.361  18.821  -4.113
   10    HE2  TYR   1           HE2      TYR   1  11.206  17.700  -4.337
   11    HH   TYR   1           HH       TYR   1  11.995  19.622  -3.336
   12    HA   PRO   2           HA       PRO   2  13.989  10.353  -8.587
   13   1HB   PRO   2          1HB       PRO   2  13.171   8.198  -7.060
   14   2HB   PRO   2          2HB       PRO   2  14.863   8.692  -7.311
   15   1HG   PRO   2          1HG       PRO   2  13.175   9.030  -4.883
   16   2HG   PRO   2          2HG       PRO   2  14.953   8.947  -5.037
   17   1HD   PRO   2          1HD       PRO   2  13.343  11.297  -4.732
   18   2HD   PRO   2          2HD       PRO   2  15.093  11.202  -5.051
   19    H    SER   3           H        SER   3  11.543  10.143  -5.981
   20    HA   SER   3           HA       SER   3   9.324  11.133  -7.503
   21   1HB   SER   3          1HB       SER   3   8.096   8.974  -7.787
   22   2HB   SER   3          2HB       SER   3   9.513   9.107  -8.832
   23    HG   SER   3           HG       SER   3   9.514   7.831  -6.307
   24    H    LYS   4           H        LYS   4   9.901  12.014  -5.173
   25    HA   LYS   4           HA       LYS   4   7.818  11.028  -3.364
   26   1HB   LYS   4          1HB       LYS   4   9.159  10.570  -1.477
   27   2HB   LYS   4          2HB       LYS   4   9.756   9.612  -2.819
   28   1HG   LYS   4          1HG       LYS   4  11.491  11.642  -3.075
   29   2HG   LYS   4          2HG       LYS   4  11.029  11.916  -1.381
   30   1HD   LYS   4          1HD       LYS   4  11.622   9.522  -0.902
   31   2HD   LYS   4          2HD       LYS   4  12.301   9.416  -2.549
   32   1HE   LYS   4          1HE       LYS   4  13.921  11.153  -2.085
   33   2HE   LYS   4          2HE       LYS   4  13.051  11.652  -0.633
   34   1HZ   LYS   4          1HZ       LYS   4  14.746  10.455   0.272
   35   2HZ   LYS   4          2HZ       LYS   4  13.606   9.291   0.170
   36   3HZ   LYS   4          3HZ       LYS   4  14.805   9.346  -0.950
   37    HA   PRO   5           HA       PRO   5   8.253  15.594  -3.451
   38   1HB   PRO   5          1HB       PRO   5   5.518  16.126  -3.346
   39   2HB   PRO   5          2HB       PRO   5   6.510  15.991  -4.826
   40   1HG   PRO   5          1HG       PRO   5   4.538  14.056  -3.739
   41   2HG   PRO   5          2HG       PRO   5   5.160  14.233  -5.403
   42   1HD   PRO   5          1HD       PRO   5   5.940  12.316  -3.423
   43   2HD   PRO   5          2HD       PRO   5   6.670  12.557  -5.037
   44    H    ASP   6           H        ASP   6   7.835  17.132  -1.716
   45    HA   ASP   6           HA       ASP   6   7.906  15.986   0.895
   46   1HB   ASP   6          1HB       ASP   6   7.954  18.212   1.709
   47   2HB   ASP   6          2HB       ASP   6   8.913  18.186   0.233
   48    H    ASN   7           H        ASN   7   6.374  16.820   2.640
   49    HA   ASN   7           HA       ASN   7   3.552  16.386   1.786
   50   1HB   ASN   7          1HB       ASN   7   4.370  14.459   3.030
   51   2HB   ASN   7          2HB       ASN   7   4.969  15.503   4.320
   52   1HD2  ASN   7          1HD2      ASN   7   3.543  14.423   5.880
   53   2HD2  ASN   7          2HD2      ASN   7   1.902  15.068   5.925
   54    HA   PRO   8           HA       PRO   8   3.547  20.550   3.692
   55   1HB   PRO   8          1HB       PRO   8   1.557  21.634   2.109
   56   2HB   PRO   8          2HB       PRO   8   3.272  21.592   1.705
   57   1HG   PRO   8          1HG       PRO   8   1.082  19.913   0.615
   58   2HG   PRO   8          2HG       PRO   8   2.608  20.413  -0.146
   59   1HD   PRO   8          1HD       PRO   8   2.049  17.908   1.087
   60   2HD   PRO   8          2HD       PRO   8   3.627  18.495   0.528
   61    H    GLY   9           H        GLY   9   2.702  18.543   5.147
   62   1HA   GLY   9          1HA       GLY   9   1.301  18.758   7.154
   63   2HA   GLY   9          2HA       GLY   9  -0.045  19.292   6.134
   64    H    GLU  10           H        GLU  10  -0.891  17.714   4.548
   65    HA   GLU  10           HA       GLU  10  -0.341  14.862   5.158
   66   1HB   GLU  10          1HB       GLU  10  -2.381  16.108   6.440
   67   2HB   GLU  10          2HB       GLU  10  -3.237  15.629   4.980
   68   1HG   GLU  10          1HG       GLU  10  -2.879  13.312   5.441
   69   2HG   GLU  10          2HG       GLU  10  -1.522  13.651   6.523
   70    H    ASP  11           H        ASP  11  -0.133  16.901   2.829
   71    HA   ASP  11           HA       ASP  11  -1.653  15.532   0.653
   72   1HB   ASP  11          1HB       ASP  11  -0.226  18.177   0.898
   73   2HB   ASP  11          2HB       ASP  11  -0.439  17.459  -0.690
   74    H    ALA  12           H        ALA  12  -0.211  13.615   1.337
   75    HA   ALA  12           HA       ALA  12   1.835  13.446  -0.742
   76   1HB   ALA  12          1HB       ALA  12   3.175  14.333   1.053
   77   2HB   ALA  12          2HB       ALA  12   2.578  13.100   2.194
   78   3HB   ALA  12          3HB       ALA  12   3.628  12.647   0.840
   79    HA   PRO  13           HA       PRO  13   0.439   9.200  -0.549
   80   1HB   PRO  13          1HB       PRO  13   2.586   7.831  -1.637
   81   2HB   PRO  13          2HB       PRO  13   1.378   8.743  -2.577
   82   1HG   PRO  13          1HG       PRO  13   4.189   9.488  -1.956
   83   2HG   PRO  13          2HG       PRO  13   3.138  10.010  -3.307
   84   1HD   PRO  13          1HD       PRO  13   3.746  11.425  -0.907
   85   2HD   PRO  13          2HD       PRO  13   2.580  11.907  -2.167
   86    H    ALA  14           H        ALA  14   0.835   7.207   0.531
   87    HA   ALA  14           HA       ALA  14   1.541   5.776   2.128
   88   1HB   ALA  14          1HB       ALA  14   3.962   7.287   2.974
   89   2HB   ALA  14          2HB       ALA  14   3.725   5.553   2.674
   90   3HB   ALA  14          3HB       ALA  14   3.935   6.671   1.314
   91    H    GLU  15           H        GLU  15  -0.141   8.151   2.609
   92    HA   GLU  15           HA       GLU  15   0.069   8.319   5.576
   93   1HB   GLU  15          1HB       GLU  15  -0.125  10.300   3.486
   94   2HB   GLU  15          2HB       GLU  15  -1.582  10.398   4.421
   95   1HG   GLU  15          1HG       GLU  15   1.246  10.379   5.571
   96   2HG   GLU  15          2HG       GLU  15   0.375  11.855   5.184
   97    H    ASP  16           H        ASP  16  -1.628   6.795   3.394
   98    HA   ASP  16           HA       ASP  16  -3.835   5.977   5.102
   99   1HB   ASP  16          1HB       ASP  16  -4.320   8.055   2.968
  100   2HB   ASP  16          2HB       ASP  16  -5.462   6.721   3.045
  101    H    LEU  17           H        LEU  17  -2.769   6.250   1.692
  102    HA   LEU  17           HA       LEU  17  -3.920   3.967   0.649
  103   1HB   LEU  17          1HB       LEU  17  -2.672   5.616  -0.688
  104   2HB   LEU  17          2HB       LEU  17  -1.150   5.088   0.022
  105    HG   LEU  17           HG       LEU  17  -1.429   4.302  -2.249
  106   1HD1  LEU  17          1HD1      LEU  17  -1.614   1.730  -0.745
  107   2HD1  LEU  17          2HD1      LEU  17  -0.551   2.205  -2.052
  108   3HD1  LEU  17          3HD1      LEU  17  -0.263   2.843  -0.424
  109   1HD2  LEU  17          1HD2      LEU  17  -3.433   3.736  -3.033
  110   2HD2  LEU  17          2HD2      LEU  17  -3.281   2.181  -2.209
  111   3HD2  LEU  17          3HD2      LEU  17  -4.123   3.517  -1.428
  112    H    ALA  18           H        ALA  18  -0.870   4.103   2.510
  113    HA   ALA  18           HA       ALA  18  -0.066   1.423   2.328
  114   1HB   ALA  18          1HB       ALA  18   0.106   3.479   4.561
  115   2HB   ALA  18          2HB       ALA  18   0.794   1.852   4.731
  116   3HB   ALA  18          3HB       ALA  18   1.389   2.927   3.447
  117    H    GLN  19           H        GLN  19  -2.558   2.807   4.523
  118    HA   GLN  19           HA       GLN  19  -3.139   0.379   5.911
  119   1HB   GLN  19          1HB       GLN  19  -3.884   3.001   6.236
  120   2HB   GLN  19          2HB       GLN  19  -5.320   2.376   5.436
  121   1HG   GLN  19          1HG       GLN  19  -5.762   2.054   7.713
  122   2HG   GLN  19          2HG       GLN  19  -5.239   0.451   7.189
  123   1HE2  GLN  19          1HE2      GLN  19  -5.169   1.381   9.947
  124   2HE2  GLN  19          2HE2      GLN  19  -3.447   1.483  10.352
  125    H    TYR  20           H        TYR  20  -4.364   1.815   2.922
  126    HA   TYR  20           HA       TYR  20  -6.453  -0.067   2.340
  127   1HB   TYR  20          1HB       TYR  20  -5.615   2.343   1.325
  128   2HB   TYR  20          2HB       TYR  20  -4.968   1.275   0.100
  129    HD1  TYR  20           HD1      TYR  20  -8.028   2.267   1.942
  130    HD2  TYR  20           HD2      TYR  20  -6.447   0.325  -1.565
  131    HE1  TYR  20           HE1      TYR  20 -10.314   2.218   0.936
  132    HE2  TYR  20           HE2      TYR  20  -8.733   0.278  -2.573
  133    HH   TYR  20           HH       TYR  20 -11.129   0.427  -1.901
  134    H    ALA  21           H        ALA  21  -3.091   0.192   1.181
  135    HA   ALA  21           HA       ALA  21  -3.066  -2.244  -0.337
  136   1HB   ALA  21          1HB       ALA  21  -1.415  -0.476  -0.703
  137   2HB   ALA  21          2HB       ALA  21  -0.778  -0.675   0.949
  138   3HB   ALA  21          3HB       ALA  21  -0.594  -1.973  -0.255
  139    H    ALA  22           H        ALA  22  -2.513  -1.568   3.085
  140    HA   ALA  22           HA       ALA  22  -1.493  -4.180   3.838
  141   1HB   ALA  22          1HB       ALA  22  -2.471  -1.727   5.318
  142   2HB   ALA  22          2HB       ALA  22  -2.290  -3.257   6.172
  143   3HB   ALA  22          3HB       ALA  22  -0.880  -2.527   5.369
  144    H    ASP  23           H        ASP  23  -4.757  -2.580   4.234
  145    HA   ASP  23           HA       ASP  23  -6.076  -4.840   5.263
  146   1HB   ASP  23          1HB       ASP  23  -6.849  -2.272   4.479
  147   2HB   ASP  23          2HB       ASP  23  -7.615  -3.253   3.251
  148    H    LEU  24           H        LEU  24  -5.569  -3.864   1.849
  149    HA   LEU  24           HA       LEU  24  -6.798  -6.263   0.773
  150   1HB   LEU  24          1HB       LEU  24  -4.860  -4.247  -0.444
  151   2HB   LEU  24          2HB       LEU  24  -5.480  -5.651  -1.309
  152    HG   LEU  24           HG       LEU  24  -7.023  -3.210  -0.370
  153   1HD1  LEU  24          1HD1      LEU  24  -6.309  -4.510  -2.999
  154   2HD1  LEU  24          2HD1      LEU  24  -7.824  -3.610  -2.885
  155   3HD1  LEU  24          3HD1      LEU  24  -6.299  -2.799  -2.517
  156   1HD2  LEU  24          1HD2      LEU  24  -8.489  -4.924   0.342
  157   2HD2  LEU  24          2HD2      LEU  24  -9.102  -4.382  -1.213
  158   3HD2  LEU  24          3HD2      LEU  24  -8.197  -5.908  -1.115
  159    H    ARG  25           H        ARG  25  -3.400  -5.556   1.592
  160    HA   ARG  25           HA       ARG  25  -2.400  -8.118   0.784
  161   1HB   ARG  25          1HB       ARG  25  -1.465  -5.848   2.464
  162   2HB   ARG  25          2HB       ARG  25  -0.896  -7.345   3.067
  163   1HG   ARG  25          1HG       ARG  25  -0.649  -7.136   0.100
  164   2HG   ARG  25          2HG       ARG  25   0.239  -5.892   0.971
  165   1HD   ARG  25          1HD       ARG  25   1.616  -7.430   2.072
  166   2HD   ARG  25          2HD       ARG  25   0.452  -8.738   1.951
  167    HE   ARG  25           HE       ARG  25   1.278  -9.381  -0.066
  168   1HH1  ARG  25          1HH1      ARG  25   2.479  -6.143   0.455
  169   2HH1  ARG  25          2HH1      ARG  25   3.550  -6.198  -0.926
  170   1HH2  ARG  25          1HH2      ARG  25   2.654  -9.473  -1.768
  171   2HH2  ARG  25          2HH2      ARG  25   3.596  -8.064  -2.204
  172    H    HIS  26           H        HIS  26  -3.722  -7.103   3.948
  173    HA   HIS  26           HA       HIS  26  -3.266  -9.587   5.260
  174   1HB   HIS  26          1HB       HIS  26  -3.874  -7.301   6.245
  175   2HB   HIS  26          2HB       HIS  26  -5.538  -7.649   5.806
  176    HD2  HIS  26           HD2      HIS  26  -6.863  -9.379   7.373
  177    HE1  HIS  26           HE1      HIS  26  -3.735 -10.130  10.164
  178    H    TYR  27           H        TYR  27  -6.128  -8.350   3.500
  179    HA   TYR  27           HA       TYR  27  -7.586 -10.816   3.655
  180   1HB   TYR  27          1HB       TYR  27  -8.104  -8.114   3.006
  181   2HB   TYR  27          2HB       TYR  27  -8.299  -8.899   1.471
  182    HD1  TYR  27           HD1      TYR  27  -9.463  -8.580   4.952
  183    HD2  TYR  27           HD2      TYR  27 -10.216 -10.417   1.127
  184    HE1  TYR  27           HE1      TYR  27 -11.759  -9.196   5.707
  185    HE2  TYR  27           HE2      TYR  27 -12.533 -11.008   1.874
  186    HH   TYR  27           HH       TYR  27 -13.463 -11.307   4.801
  187    H    ILE  28           H        ILE  28  -4.897 -10.962   2.411
  188    HA   ILE  28           HA       ILE  28  -5.626 -12.730   0.174
  189    HB   ILE  28           HB       ILE  28  -4.788 -10.133  -0.309
  190   2HG1  ILE  28          2HG1      ILE  28  -6.154 -11.749  -1.681
  191   1HG2  ILE  28          1HG2      ILE  28  -2.422 -11.911  -0.987
  192   2HG2  ILE  28          2HG2      ILE  28  -2.683 -10.266  -1.594
  193   3HG2  ILE  28          3HG2      ILE  28  -2.446 -10.515   0.122
  194   1HD1  ILE  28          1HD1      ILE  28  -4.202 -10.098  -3.315
  195   2HD1  ILE  28          2HD1      ILE  28  -5.914 -10.468  -3.642
  196   3HD1  ILE  28          3HD1      ILE  28  -5.490  -9.367  -2.323
  197    H    ASN  29           H        ASN  29  -2.923 -11.394   2.092
  198    HA   ASN  29           HA       ASN  29  -1.242 -13.701   1.858
  199   1HB   ASN  29          1HB       ASN  29  -1.032 -11.077   2.952
  200   2HB   ASN  29          2HB       ASN  29  -0.846 -12.149   4.325
  201   1HD2  ASN  29          1HD2      ASN  29   1.193 -10.470   3.521
  202   2HD2  ASN  29          2HD2      ASN  29   2.471 -11.508   2.897
  203    H    LEU  30           H        LEU  30  -4.048 -12.978   3.956
  204    HA   LEU  30           HA       LEU  30  -3.342 -15.243   5.715
  205   1HB   LEU  30          1HB       LEU  30  -5.709 -13.356   5.450
  206   2HB   LEU  30          2HB       LEU  30  -5.866 -14.859   6.340
  207    HG   LEU  30           HG       LEU  30  -3.898 -12.612   6.963
  208   1HD1  LEU  30          1HD1      LEU  30  -5.258 -12.565   9.068
  209   2HD1  LEU  30          2HD1      LEU  30  -6.218 -12.201   7.622
  210   3HD1  LEU  30          3HD1      LEU  30  -6.328 -13.801   8.390
  211   1HD2  LEU  30          1HD2      LEU  30  -4.118 -15.432   8.064
  212   2HD2  LEU  30          2HD2      LEU  30  -2.667 -14.512   7.617
  213   3HD2  LEU  30          3HD2      LEU  30  -3.539 -14.102   9.089
  214    H    ILE  31           H        ILE  31  -5.656 -14.588   3.102
  215    HA   ILE  31           HA       ILE  31  -6.830 -17.170   3.140
  216    HB   ILE  31           HB       ILE  31  -6.604 -15.345   0.725
  217   2HG1  ILE  31          2HG1      ILE  31  -8.902 -14.491   1.483
  218   1HG2  ILE  31          1HG2      ILE  31  -7.482 -17.572   0.241
  219   2HG2  ILE  31          2HG2      ILE  31  -8.663 -17.443   1.565
  220   3HG2  ILE  31          3HG2      ILE  31  -8.793 -16.397   0.133
  221   1HD1  ILE  31          1HD1      ILE  31  -8.963 -16.123   3.571
  222   2HD1  ILE  31          2HD1      ILE  31  -7.892 -14.905   4.304
  223   3HD1  ILE  31          3HD1      ILE  31  -9.508 -14.442   3.743
  224    H    THR  32           H        THR  32  -4.097 -15.903   1.166
  225    HA   THR  32           HA       THR  32  -3.551 -18.241  -0.304
  226    HB   THR  32           HB       THR  32  -2.466 -15.864  -0.359
  227    HG1  THR  32           HG1      THR  32  -0.623 -16.916  -1.342
  228   1HG2  THR  32          1HG2      THR  32  -1.305 -16.159   1.914
  229   2HG2  THR  32          2HG2      THR  32  -0.222 -17.303   1.096
  230   3HG2  THR  32          3HG2      THR  32  -0.296 -15.604   0.572
  231    H    ARG  33           H        ARG  33  -2.713 -17.491   3.039
  232    HA   ARG  33           HA       ARG  33  -1.264 -20.012   3.480
  233   1HB   ARG  33          1HB       ARG  33  -1.671 -17.406   4.940
  234   2HB   ARG  33          2HB       ARG  33  -1.496 -18.802   5.954
  235   1HG   ARG  33          1HG       ARG  33   0.542 -19.070   3.958
  236   2HG   ARG  33          2HG       ARG  33   0.555 -17.383   4.418
  237   1HD   ARG  33          1HD       ARG  33   1.333 -17.819   6.537
  238   2HD   ARG  33          2HD       ARG  33   0.393 -19.289   6.727
  239    HE   ARG  33           HE       ARG  33   3.113 -19.132   5.849
  240   1HH1  ARG  33          1HH1      ARG  33   0.214 -21.076   5.567
  241   2HH1  ARG  33          2HH1      ARG  33   1.071 -22.531   5.158
  242   1HH2  ARG  33          1HH2      ARG  33   4.202 -21.001   5.232
  243   2HH2  ARG  33          2HH2      ARG  33   3.322 -22.468   4.963
  244    H    GLN  34           H        GLN  34  -4.209 -19.881   2.824
  245    HA   GLN  34           HA       GLN  34  -5.001 -21.880   4.875
  246   1HB   GLN  34          1HB       GLN  34  -5.877 -19.349   5.193
  247   2HB   GLN  34          2HB       GLN  34  -7.090 -19.876   4.032
  248   1HG   GLN  34          1HG       GLN  34  -6.405 -21.155   6.717
  249   2HG   GLN  34          2HG       GLN  34  -7.838 -20.190   6.359
  250   1HE2  GLN  34          1HE2      GLN  34  -6.606 -23.396   6.501
  251   2HE2  GLN  34          2HE2      GLN  34  -7.838 -24.095   5.443
  252    H    ARG  35           H        ARG  35  -5.772 -20.386   1.743
  253    HA   ARG  35           HA       ARG  35  -7.581 -22.381   0.842
  254   1HB   ARG  35          1HB       ARG  35  -7.026 -19.877   0.089
  255   2HB   ARG  35          2HB       ARG  35  -5.963 -20.632  -1.071
  256   1HG   ARG  35          1HG       ARG  35  -7.761 -21.506  -2.309
  257   2HG   ARG  35          2HG       ARG  35  -8.729 -21.786  -0.869
  258   1HD   ARG  35          1HD       ARG  35  -9.977 -20.096  -1.491
  259   2HD   ARG  35          2HD       ARG  35  -8.717 -19.049  -0.869
  260    HE   ARG  35           HE       ARG  35  -8.061 -19.649  -3.556
  261   1HH1  ARG  35          1HH1      ARG  35 -10.664 -17.996  -1.891
  262   2HH1  ARG  35          2HH1      ARG  35 -11.076 -17.044  -3.316
  263   1HH2  ARG  35          1HH2      ARG  35  -8.622 -18.273  -5.315
  264   2HH2  ARG  35          2HH2      ARG  35  -9.964 -17.136  -5.096
  265    H    TYR  36           H        TYR  36  -6.195 -22.659  -1.853
  266    HA   TYR  36           HA       TYR  36  -5.142 -25.171  -1.891
  267   1HB   TYR  36          1HB       TYR  36  -4.166 -24.578  -3.980
  268   2HB   TYR  36          2HB       TYR  36  -5.602 -23.570  -3.816
  269    HD1  TYR  36           HD1      TYR  36  -5.351 -21.089  -3.408
  270    HD2  TYR  36           HD2      TYR  36  -1.920 -23.667  -3.863
  271    HE1  TYR  36           HE1      TYR  36  -3.861 -19.089  -3.602
  272    HE2  TYR  36           HE2      TYR  36  -0.459 -21.667  -4.048
  273    HH   TYR  36           HH       TYR  36  -1.277 -18.855  -4.920
  274   1HN   NH2  37          1HN       NH2  37  -3.272 -22.271  -0.768
  275   2HN   NH2  37          2HN       NH2  37  -1.916 -23.255  -0.244
  Start of MODEL   11
    1   1H    TYR   1          1H        TYR   1  -2.904  20.333 -15.366
    2   2H    TYR   1          2H        TYR   1  -2.514  19.707 -16.836
    3   3H    TYR   1          3H        TYR   1  -1.380  19.765 -15.643
    4    HA   TYR   1           HA       TYR   1  -1.017  21.980 -15.814
    5   1HB   TYR   1          1HB       TYR   1  -1.200  20.549 -18.346
    6   2HB   TYR   1          2HB       TYR   1  -1.549  22.249 -18.576
    7    HD1  TYR   1           HD1      TYR   1   1.046  19.819 -17.557
    8    HD2  TYR   1           HD2      TYR   1   0.103  23.994 -18.189
    9    HE1  TYR   1           HE1      TYR   1   3.472  20.372 -17.603
   10    HE2  TYR   1           HE2      TYR   1   2.525  24.515 -18.289
   11    HH   TYR   1           HH       TYR   1   4.709  23.023 -18.953
   12    HA   PRO   2           HA       PRO   2  -4.729  24.339 -17.466
   13   1HB   PRO   2          1HB       PRO   2  -7.014  23.047 -18.378
   14   2HB   PRO   2          2HB       PRO   2  -5.634  23.547 -19.404
   15   1HG   PRO   2          1HG       PRO   2  -6.373  20.810 -18.451
   16   2HG   PRO   2          2HG       PRO   2  -5.466  21.304 -19.910
   17   1HD   PRO   2          1HD       PRO   2  -4.406  20.318 -17.481
   18   2HD   PRO   2          2HD       PRO   2  -3.493  21.042 -18.831
   19    H    SER   3           H        SER   3  -5.840  21.306 -15.982
   20    HA   SER   3           HA       SER   3  -7.034  22.801 -13.714
   21   1HB   SER   3          1HB       SER   3  -8.877  21.126 -13.648
   22   2HB   SER   3          2HB       SER   3  -8.927  22.221 -15.036
   23    HG   SER   3           HG       SER   3  -8.112  20.573 -16.333
   24    H    LYS   4           H        LYS   4  -4.979  22.415 -12.760
   25    HA   LYS   4           HA       LYS   4  -3.881  19.831 -12.327
   26   1HB   LYS   4          1HB       LYS   4  -2.538  20.847 -10.608
   27   2HB   LYS   4          2HB       LYS   4  -2.651  21.955 -11.969
   28   1HG   LYS   4          1HG       LYS   4  -4.349  23.303 -10.735
   29   2HG   LYS   4          2HG       LYS   4  -4.293  22.144  -9.401
   30   1HD   LYS   4          1HD       LYS   4  -1.600  22.792  -9.755
   31   2HD   LYS   4          2HD       LYS   4  -2.398  24.325 -10.080
   32   1HE   LYS   4          1HE       LYS   4  -3.238  22.700  -7.674
   33   2HE   LYS   4          2HE       LYS   4  -1.666  23.481  -7.616
   34   1HZ   LYS   4          1HZ       LYS   4  -3.036  25.590  -8.232
   35   2HZ   LYS   4          2HZ       LYS   4  -4.331  24.658  -7.659
   36   3HZ   LYS   4          3HZ       LYS   4  -3.144  24.953  -6.684
   37    HA   PRO   5           HA       PRO   5  -6.677  18.073  -9.439
   38   1HB   PRO   5          1HB       PRO   5  -5.047  16.366  -7.969
   39   2HB   PRO   5          2HB       PRO   5  -5.669  16.044  -9.608
   40   1HG   PRO   5          1HG       PRO   5  -2.920  16.872  -8.766
   41   2HG   PRO   5          2HG       PRO   5  -3.439  15.942 -10.203
   42   1HD   PRO   5          1HD       PRO   5  -2.742  18.683 -10.107
   43   2HD   PRO   5          2HD       PRO   5  -3.554  17.850 -11.463
   44    H    ASP   6           H        ASP   6  -3.739  19.430  -8.038
   45    HA   ASP   6           HA       ASP   6  -3.292  20.726  -6.240
   46   1HB   ASP   6          1HB       ASP   6  -5.972  21.424  -6.833
   47   2HB   ASP   6          2HB       ASP   6  -5.977  21.123  -5.101
   48    H    ASN   7           H        ASN   7  -6.039  18.686  -5.350
   49    HA   ASN   7           HA       ASN   7  -4.799  17.858  -2.822
   50   1HB   ASN   7          1HB       ASN   7  -7.472  17.456  -4.149
   51   2HB   ASN   7          2HB       ASN   7  -6.951  16.310  -2.909
   52   1HD2  ASN   7          1HD2      ASN   7  -8.733  19.131  -3.215
   53   2HD2  ASN   7          2HD2      ASN   7  -8.413  19.688  -1.562
   54    HA   PRO   8           HA       PRO   8  -3.008  14.205  -4.834
   55   1HB   PRO   8          1HB       PRO   8  -2.096  12.956  -2.515
   56   2HB   PRO   8          2HB       PRO   8  -1.252  14.271  -3.385
   57   1HG   PRO   8          1HG       PRO   8  -2.784  14.403  -0.826
   58   2HG   PRO   8          2HG       PRO   8  -1.442  15.426  -1.410
   59   1HD   PRO   8          1HD       PRO   8  -4.227  16.021  -1.465
   60   2HD   PRO   8          2HD       PRO   8  -2.915  16.952  -2.234
   61    H    GLY   9           H        GLY   9  -3.158  11.707  -4.181
   62   1HA   GLY   9          1HA       GLY   9  -5.620  10.630  -4.686
   63   2HA   GLY   9          2HA       GLY   9  -4.394   9.807  -3.716
   64    H    GLU  10           H        GLU  10  -4.293  10.627  -1.393
   65    HA   GLU  10           HA       GLU  10  -6.927  11.388  -0.248
   66   1HB   GLU  10          1HB       GLU  10  -5.215   9.080   0.677
   67   2HB   GLU  10          2HB       GLU  10  -6.629   9.714   1.517
   68   1HG   GLU  10          1HG       GLU  10  -7.748   8.071   0.415
   69   2HG   GLU  10          2HG       GLU  10  -7.822   9.251  -0.846
   70    H    ASP  11           H        ASP  11  -3.576  10.646   0.789
   71    HA   ASP  11           HA       ASP  11  -3.153  13.382   1.705
   72   1HB   ASP  11          1HB       ASP  11  -4.501  12.218   3.571
   73   2HB   ASP  11          2HB       ASP  11  -3.070  11.265   3.880
   74    H    ALA  12           H        ALA  12  -1.521  13.069   0.090
   75    HA   ALA  12           HA       ALA  12   0.543  12.694  -0.738
   76   1HB   ALA  12          1HB       ALA  12   1.216  13.783   1.372
   77   2HB   ALA  12          2HB       ALA  12   1.343  12.199   2.162
   78   3HB   ALA  12          3HB       ALA  12   2.438  12.627   0.847
   79    HA   PRO  13           HA       PRO  13   1.036   8.316  -1.370
   80   1HB   PRO  13          1HB       PRO  13   3.557   8.070  -2.467
   81   2HB   PRO  13          2HB       PRO  13   2.146   8.777  -3.283
   82   1HG   PRO  13          1HG       PRO  13   4.489  10.183  -2.035
   83   2HG   PRO  13          2HG       PRO  13   3.503  10.643  -3.455
   84   1HD   PRO  13          1HD       PRO  13   3.259  11.640  -0.830
   85   2HD   PRO  13          2HD       PRO  13   2.068  11.852  -2.145
   86    H    ALA  14           H        ALA  14   1.040   8.600   1.196
   87    HA   ALA  14           HA       ALA  14   2.619   6.477   2.292
   88   1HB   ALA  14          1HB       ALA  14   4.558   7.605   2.501
   89   2HB   ALA  14          2HB       ALA  14   3.800   9.208   2.447
   90   3HB   ALA  14          3HB       ALA  14   3.839   8.286   3.957
   91    H    GLU  15           H        GLU  15  -0.328   7.453   2.356
   92    HA   GLU  15           HA       GLU  15  -0.900   6.790   4.999
   93   1HB   GLU  15          1HB       GLU  15  -0.272   9.540   4.612
   94   2HB   GLU  15          2HB       GLU  15  -2.025   9.471   4.505
   95   1HG   GLU  15          1HG       GLU  15  -0.603   8.047   6.771
   96   2HG   GLU  15          2HG       GLU  15  -0.764   9.797   6.824
   97    H    ASP  16           H        ASP  16  -3.133   6.690   5.132
   98    HA   ASP  16           HA       ASP  16  -5.209   5.907   4.563
   99   1HB   ASP  16          1HB       ASP  16  -5.148   8.276   3.424
  100   2HB   ASP  16          2HB       ASP  16  -5.085   7.346   1.933
  101    H    LEU  17           H        LEU  17  -3.318   5.984   1.623
  102    HA   LEU  17           HA       LEU  17  -4.247   3.504   0.434
  103   1HB   LEU  17          1HB       LEU  17  -3.165   5.017  -1.022
  104   2HB   LEU  17          2HB       LEU  17  -1.746   5.155  -0.001
  105    HG   LEU  17           HG       LEU  17  -2.477   2.541  -1.397
  106   1HD1  LEU  17          1HD1      LEU  17  -0.571   3.364  -3.017
  107   2HD1  LEU  17          2HD1      LEU  17  -2.247   3.878  -3.237
  108   3HD1  LEU  17          3HD1      LEU  17  -1.077   4.977  -2.459
  109   1HD2  LEU  17          1HD2      LEU  17  -0.781   1.910   0.060
  110   2HD2  LEU  17          2HD2      LEU  17   0.191   2.392  -1.275
  111   3HD2  LEU  17          3HD2      LEU  17  -0.027   3.510   0.077
  112    H    ALA  18           H        ALA  18  -1.393   4.253   2.522
  113    HA   ALA  18           HA       ALA  18  -0.263   1.679   2.455
  114   1HB   ALA  18          1HB       ALA  18   0.816   3.628   3.542
  115   2HB   ALA  18          2HB       ALA  18  -0.350   3.533   4.873
  116   3HB   ALA  18          3HB       ALA  18   0.794   2.207   4.591
  117    H    GLN  19           H        GLN  19  -3.025   2.834   4.343
  118    HA   GLN  19           HA       GLN  19  -3.397   0.420   5.883
  119   1HB   GLN  19          1HB       GLN  19  -4.448   3.020   5.957
  120   2HB   GLN  19          2HB       GLN  19  -5.784   2.090   5.315
  121   1HG   GLN  19          1HG       GLN  19  -6.286   1.616   7.455
  122   2HG   GLN  19          2HG       GLN  19  -4.995   0.430   7.384
  123   1HE2  GLN  19          1HE2      GLN  19  -3.815   0.598   9.361
  124   2HE2  GLN  19          2HE2      GLN  19  -3.380   2.196   9.995
  125    H    TYR  20           H        TYR  20  -4.916   1.744   2.882
  126    HA   TYR  20           HA       TYR  20  -6.693  -0.412   2.367
  127   1HB   TYR  20          1HB       TYR  20  -6.766   1.801   1.287
  128   2HB   TYR  20          2HB       TYR  20  -5.252   1.492   0.486
  129    HD1  TYR  20           HD1      TYR  20  -5.135   0.380  -1.610
  130    HD2  TYR  20           HD2      TYR  20  -8.779   0.283   0.696
  131    HE1  TYR  20           HE1      TYR  20  -6.320  -0.652  -3.539
  132    HE2  TYR  20           HE2      TYR  20  -9.962  -0.756  -1.240
  133    HH   TYR  20           HH       TYR  20  -8.262  -1.812  -4.148
  134    H    ALA  21           H        ALA  21  -3.495   0.205   0.960
  135    HA   ALA  21           HA       ALA  21  -3.228  -2.254  -0.494
  136   1HB   ALA  21          1HB       ALA  21  -1.840  -0.325  -1.019
  137   2HB   ALA  21          2HB       ALA  21  -1.143  -0.331   0.619
  138   3HB   ALA  21          3HB       ALA  21  -0.795  -1.664  -0.501
  139    H    ALA  22           H        ALA  22  -2.539  -1.419   2.905
  140    HA   ALA  22           HA       ALA  22  -1.168  -3.918   3.523
  141   1HB   ALA  22          1HB       ALA  22  -0.677  -1.999   4.906
  142   2HB   ALA  22          2HB       ALA  22  -2.397  -1.826   5.347
  143   3HB   ALA  22          3HB       ALA  22  -1.468  -3.234   5.882
  144    H    ASP  23           H        ASP  23  -4.523  -2.665   4.188
  145    HA   ASP  23           HA       ASP  23  -5.609  -4.982   5.357
  146   1HB   ASP  23          1HB       ASP  23  -6.674  -2.605   3.872
  147   2HB   ASP  23          2HB       ASP  23  -7.678  -4.032   3.801
  148    H    LEU  24           H        LEU  24  -5.274  -4.096   1.905
  149    HA   LEU  24           HA       LEU  24  -6.391  -6.611   0.975
  150   1HB   LEU  24          1HB       LEU  24  -4.618  -4.627  -0.497
  151   2HB   LEU  24          2HB       LEU  24  -5.479  -5.987  -1.212
  152    HG   LEU  24           HG       LEU  24  -6.542  -3.346  -0.259
  153   1HD1  LEU  24          1HD1      LEU  24  -7.818  -3.477  -2.281
  154   2HD1  LEU  24          2HD1      LEU  24  -6.128  -3.852  -2.637
  155   3HD1  LEU  24          3HD1      LEU  24  -7.340  -5.162  -2.545
  156   1HD2  LEU  24          1HD2      LEU  24  -8.308  -5.818  -0.303
  157   2HD2  LEU  24          2HD2      LEU  24  -7.941  -4.812   1.119
  158   3HD2  LEU  24          3HD2      LEU  24  -8.859  -4.125  -0.209
  159    H    ARG  25           H        ARG  25  -2.985  -5.561   1.469
  160    HA   ARG  25           HA       ARG  25  -1.785  -8.057   0.740
  161   1HB   ARG  25          1HB       ARG  25  -0.985  -5.578   2.170
  162   2HB   ARG  25          2HB       ARG  25  -0.189  -6.955   2.808
  163   1HG   ARG  25          1HG       ARG  25  -0.220  -6.871  -0.187
  164   2HG   ARG  25          2HG       ARG  25   0.646  -5.535   0.580
  165   1HD   ARG  25          1HD       ARG  25   2.133  -6.966   1.734
  166   2HD   ARG  25          2HD       ARG  25   1.086  -8.379   1.507
  167    HE   ARG  25           HE       ARG  25   2.051  -7.317  -1.017
  168   1HH1  ARG  25          1HH1      ARG  25   2.947  -9.411   1.629
  169   2HH1  ARG  25          2HH1      ARG  25   3.995 -10.414   0.660
  170   1HH2  ARG  25          1HH2      ARG  25   3.350  -8.623  -2.259
  171   2HH2  ARG  25          2HH2      ARG  25   4.278  -9.902  -1.495
  172    H    HIS  26           H        HIS  26  -3.254  -7.077   3.781
  173    HA   HIS  26           HA       HIS  26  -2.395  -9.401   5.268
  174   1HB   HIS  26          1HB       HIS  26  -3.077  -7.112   6.186
  175   2HB   HIS  26          2HB       HIS  26  -4.750  -7.577   5.891
  176    HD2  HIS  26           HD2      HIS  26  -5.865  -9.124   7.763
  177    HE1  HIS  26           HE1      HIS  26  -2.383  -9.997  10.044
  178    H    TYR  27           H        TYR  27  -5.575  -8.418   3.857
  179    HA   TYR  27           HA       TYR  27  -6.978 -10.814   4.220
  180   1HB   TYR  27          1HB       TYR  27  -7.222  -8.447   2.479
  181   2HB   TYR  27          2HB       TYR  27  -7.725  -9.898   1.657
  182    HD1  TYR  27           HD1      TYR  27  -9.252 -11.565   2.994
  183    HD2  TYR  27           HD2      TYR  27  -8.845  -7.353   3.814
  184    HE1  TYR  27           HE1      TYR  27 -11.495 -11.566   4.095
  185    HE2  TYR  27           HE2      TYR  27 -11.078  -7.351   4.911
  186    HH   TYR  27           HH       TYR  27 -12.674  -8.788   5.875
  187    H    ILE  28           H        ILE  28  -4.976  -9.908   1.325
  188    HA   ILE  28           HA       ILE  28  -5.309 -12.404   0.061
  189    HB   ILE  28           HB       ILE  28  -3.972 -10.064  -0.500
  190   2HG1  ILE  28          2HG1      ILE  28  -5.256 -11.645  -1.986
  191   1HG2  ILE  28          1HG2      ILE  28  -1.697 -10.620  -1.254
  192   2HG2  ILE  28          2HG2      ILE  28  -1.862 -10.725   0.489
  193   3HG2  ILE  28          3HG2      ILE  28  -1.828 -12.212  -0.489
  194   1HD1  ILE  28          1HD1      ILE  28  -3.368  -9.663  -2.657
  195   2HD1  ILE  28          2HD1      ILE  28  -2.958 -11.047  -3.689
  196   3HD1  ILE  28          3HD1      ILE  28  -4.599 -10.365  -3.709
  197    H    ASN  29           H        ASN  29  -2.797 -11.432   2.396
  198    HA   ASN  29           HA       ASN  29  -1.413 -13.918   2.434
  199   1HB   ASN  29          1HB       ASN  29  -1.402 -11.493   4.040
  200   2HB   ASN  29          2HB       ASN  29  -1.371 -12.867   5.101
  201   1HD2  ASN  29          1HD2      ASN  29   0.676 -10.779   3.967
  202   2HD2  ASN  29          2HD2      ASN  29   2.075 -11.864   3.735
  203    H    LEU  30           H        LEU  30  -4.373 -12.943   4.088
  204    HA   LEU  30           HA       LEU  30  -4.598 -15.397   5.664
  205   1HB   LEU  30          1HB       LEU  30  -6.158 -12.904   5.170
  206   2HB   LEU  30          2HB       LEU  30  -7.130 -14.290   5.561
  207    HG   LEU  30           HG       LEU  30  -4.702 -13.937   7.275
  208   1HD1  LEU  30          1HD1      LEU  30  -4.953 -11.779   7.514
  209   2HD1  LEU  30          2HD1      LEU  30  -6.625 -11.713   6.949
  210   3HD1  LEU  30          3HD1      LEU  30  -6.256 -12.178   8.622
  211   1HD2  LEU  30          1HD2      LEU  30  -7.152 -14.175   8.764
  212   2HD2  LEU  30          2HD2      LEU  30  -7.173 -15.352   7.450
  213   3HD2  LEU  30          3HD2      LEU  30  -5.817 -15.324   8.576
  214    H    ILE  31           H        ILE  31  -6.457 -14.185   2.839
  215    HA   ILE  31           HA       ILE  31  -7.858 -16.588   2.328
  216    HB   ILE  31           HB       ILE  31  -6.989 -14.399   0.418
  217   2HG1  ILE  31          2HG1      ILE  31  -9.136 -13.390   0.720
  218   1HG2  ILE  31          1HG2      ILE  31  -8.575 -16.865  -0.066
  219   2HG2  ILE  31          2HG2      ILE  31  -9.337 -15.385  -0.649
  220   3HG2  ILE  31          3HG2      ILE  31  -7.720 -15.811  -1.207
  221   1HD1  ILE  31          1HD1      ILE  31 -10.075 -15.879   1.809
  222   2HD1  ILE  31          2HD1      ILE  31 -10.116 -14.670   3.108
  223   3HD1  ILE  31          3HD1      ILE  31 -10.963 -14.358   1.581
  224    H    THR  32           H        THR  32  -4.615 -15.569   1.043
  225    HA   THR  32           HA       THR  32  -4.291 -17.969  -0.498
  226    HB   THR  32           HB       THR  32  -2.980 -15.748  -0.678
  227    HG1  THR  32           HG1      THR  32  -1.743 -18.283  -0.773
  228   1HG2  THR  32          1HG2      THR  32  -1.034 -17.131   1.218
  229   2HG2  THR  32          2HG2      THR  32  -0.861 -15.551   0.413
  230   3HG2  THR  32          3HG2      THR  32  -2.077 -15.788   1.680
  231    H    ARG  33           H        ARG  33  -3.365 -17.165   2.858
  232    HA   ARG  33           HA       ARG  33  -2.253 -19.845   3.329
  233   1HB   ARG  33          1HB       ARG  33  -1.365 -17.605   4.285
  234   2HB   ARG  33          2HB       ARG  33  -2.739 -17.693   5.401
  235   1HG   ARG  33          1HG       ARG  33  -1.642 -20.167   5.788
  236   2HG   ARG  33          2HG       ARG  33  -0.212 -19.332   5.222
  237   1HD   ARG  33          1HD       ARG  33  -1.987 -18.308   7.477
  238   2HD   ARG  33          2HD       ARG  33  -0.616 -19.396   7.737
  239    HE   ARG  33           HE       ARG  33   0.324 -17.173   6.252
  240   1HH1  ARG  33          1HH1      ARG  33  -0.824 -17.843   9.468
  241   2HH1  ARG  33          2HH1      ARG  33   0.111 -16.561  10.207
  242   1HH2  ARG  33          1HH2      ARG  33   1.596 -15.636   7.206
  243   2HH2  ARG  33          2HH2      ARG  33   1.399 -15.206   8.872
  244    H    GLN  34           H        GLN  34  -5.241 -19.075   2.859
  245    HA   GLN  34           HA       GLN  34  -6.292 -21.144   4.685
  246   1HB   GLN  34          1HB       GLN  34  -6.564 -18.636   5.526
  247   2HB   GLN  34          2HB       GLN  34  -7.918 -18.609   4.406
  248   1HG   GLN  34          1HG       GLN  34  -7.402 -20.463   6.782
  249   2HG   GLN  34          2HG       GLN  34  -8.599 -19.174   6.694
  250   1HE2  GLN  34          1HE2      GLN  34  -7.893 -22.557   5.800
  251   2HE2  GLN  34          2HE2      GLN  34  -9.508 -22.799   5.127
  252    H    ARG  35           H        ARG  35  -5.652 -21.395   1.976
  253    HA   ARG  35           HA       ARG  35  -8.222 -22.347   1.031
  254   1HB   ARG  35          1HB       ARG  35  -7.903 -19.780   0.380
  255   2HB   ARG  35          2HB       ARG  35  -6.889 -20.383  -0.884
  256   1HG   ARG  35          1HG       ARG  35  -8.791 -20.782  -2.092
  257   2HG   ARG  35          2HG       ARG  35  -9.308 -21.981  -0.898
  258   1HD   ARG  35          1HD       ARG  35 -10.424 -20.255   0.441
  259   2HD   ARG  35          2HD       ARG  35  -9.758 -18.984  -0.585
  260    HE   ARG  35           HE       ARG  35 -11.332 -19.365  -2.197
  261   1HH1  ARG  35          1HH1      ARG  35 -11.607 -21.926   0.156
  262   2HH1  ARG  35          2HH1      ARG  35 -13.026 -22.631  -0.569
  263   1HH2  ARG  35          1HH2      ARG  35 -13.208 -20.225  -3.088
  264   2HH2  ARG  35          2HH2      ARG  35 -13.945 -21.613  -2.353
  265    H    TYR  36           H        TYR  36  -7.067 -22.258  -1.767
  266    HA   TYR  36           HA       TYR  36  -5.890 -24.683  -2.264
  267   1HB   TYR  36          1HB       TYR  36  -5.200 -23.708  -4.333
  268   2HB   TYR  36          2HB       TYR  36  -6.713 -22.948  -3.891
  269    HD1  TYR  36           HD1      TYR  36  -6.755 -20.511  -3.184
  270    HD2  TYR  36           HD2      TYR  36  -3.108 -22.481  -4.382
  271    HE1  TYR  36           HE1      TYR  36  -5.619 -18.313  -3.311
  272    HE2  TYR  36           HE2      TYR  36  -1.978 -20.258  -4.534
  273    HH   TYR  36           HH       TYR  36  -3.732 -17.250  -4.330
  274   1HN   NH2  37          1HN       NH2  37  -4.116 -21.737  -1.069
  275   2HN   NH2  37          2HN       NH2  37  -2.658 -22.666  -0.753
  Start of MODEL   12
    1   1H    TYR   1          1H        TYR   1 -23.458   0.518   3.140
    2   2H    TYR   1          2H        TYR   1 -24.050   1.936   2.547
    3   3H    TYR   1          3H        TYR   1 -23.516   0.786   1.514
    4    HA   TYR   1           HA       TYR   1 -21.728   1.948   3.494
    5   1HB   TYR   1          1HB       TYR   1 -19.996   1.086   2.092
    6   2HB   TYR   1          2HB       TYR   1 -21.151  -0.203   2.393
    7    HD1  TYR   1           HD1      TYR   1 -23.078  -0.497   0.405
    8    HD2  TYR   1           HD2      TYR   1 -19.182   1.327  -0.068
    9    HE1  TYR   1           HE1      TYR   1 -23.317  -0.618  -2.039
   10    HE2  TYR   1           HE2      TYR   1 -19.370   1.038  -2.518
   11    HH   TYR   1           HH       TYR   1 -20.655  -0.127  -4.193
   12    HA   PRO   2           HA       PRO   2 -22.785   5.370   0.402
   13   1HB   PRO   2          1HB       PRO   2 -23.973   7.224   2.036
   14   2HB   PRO   2          2HB       PRO   2 -24.857   5.954   1.152
   15   1HG   PRO   2          1HG       PRO   2 -24.181   6.087   4.068
   16   2HG   PRO   2          2HG       PRO   2 -25.560   5.299   3.252
   17   1HD   PRO   2          1HD       PRO   2 -23.171   4.058   4.183
   18   2HD   PRO   2          2HD       PRO   2 -24.458   3.340   3.168
   19    H    SER   3           H        SER   3 -20.740   5.917   0.128
   20    HA   SER   3           HA       SER   3 -19.629   8.131   1.552
   21   1HB   SER   3          1HB       SER   3 -19.014   5.746   2.859
   22   2HB   SER   3          2HB       SER   3 -17.604   5.982   1.843
   23    HG   SER   3           HG       SER   3 -17.511   7.070   3.907
   24    H    LYS   4           H        LYS   4 -18.561   5.273  -0.258
   25    HA   LYS   4           HA       LYS   4 -16.997   4.967  -1.894
   26   1HB   LYS   4          1HB       LYS   4 -19.384   6.027  -2.894
   27   2HB   LYS   4          2HB       LYS   4 -18.207   6.992  -3.696
   28   1HG   LYS   4          1HG       LYS   4 -18.081   5.342  -5.189
   29   2HG   LYS   4          2HG       LYS   4 -17.042   4.517  -4.045
   30   1HD   LYS   4          1HD       LYS   4 -18.563   2.856  -3.725
   31   2HD   LYS   4          2HD       LYS   4 -19.863   3.990  -3.387
   32   1HE   LYS   4          1HE       LYS   4 -20.578   2.831  -5.318
   33   2HE   LYS   4          2HE       LYS   4 -20.052   4.429  -5.873
   34   1HZ   LYS   4          1HZ       LYS   4 -19.150   2.773  -7.319
   35   2HZ   LYS   4          2HZ       LYS   4 -17.897   3.393  -6.444
   36   3HZ   LYS   4          3HZ       LYS   4 -18.502   1.916  -6.069
   37    HA   PRO   5           HA       PRO   5 -14.652   8.795  -0.774
   38   1HB   PRO   5          1HB       PRO   5 -12.461   7.587   0.447
   39   2HB   PRO   5          2HB       PRO   5 -13.942   8.144   1.280
   40   1HG   PRO   5          1HG       PRO   5 -13.110   5.367   0.612
   41   2HG   PRO   5          2HG       PRO   5 -14.212   5.956   1.892
   42   1HD   PRO   5          1HD       PRO   5 -14.938   4.796  -0.611
   43   2HD   PRO   5          2HD       PRO   5 -16.021   5.595   0.552
   44    H    ASP   6           H        ASP   6 -13.023   5.752  -1.745
   45    HA   ASP   6           HA       ASP   6 -11.306   5.316  -3.205
   46   1HB   ASP   6          1HB       ASP   6 -13.474   6.691  -4.716
   47   2HB   ASP   6          2HB       ASP   6 -11.927   6.604  -5.542
   48    H    ASN   7           H        ASN   7  -9.615   6.318  -2.001
   49    HA   ASN   7           HA       ASN   7  -8.816   9.021  -2.955
   50   1HB   ASN   7          1HB       ASN   7  -9.153   8.562  -0.473
   51   2HB   ASN   7          2HB       ASN   7  -7.656   7.632  -0.533
   52   1HD2  ASN   7          1HD2      ASN   7  -5.697   8.879  -1.578
   53   2HD2  ASN   7          2HD2      ASN   7  -5.671  10.597  -1.181
   54    HA   PRO   8           HA       PRO   8  -5.813   6.356  -5.195
   55   1HB   PRO   8          1HB       PRO   8  -5.433   8.030  -7.369
   56   2HB   PRO   8          2HB       PRO   8  -6.766   6.850  -7.220
   57   1HG   PRO   8          1HG       PRO   8  -6.843   9.829  -6.866
   58   2HG   PRO   8          2HG       PRO   8  -8.101   8.716  -7.473
   59   1HD   PRO   8          1HD       PRO   8  -7.943   9.772  -4.867
   60   2HD   PRO   8          2HD       PRO   8  -8.915   8.385  -5.429
   61    H    GLY   9           H        GLY   9  -3.612   7.088  -6.233
   62   1HA   GLY   9          1HA       GLY   9  -2.129   8.614  -4.190
   63   2HA   GLY   9          2HA       GLY   9  -1.450   7.643  -5.497
   64    H    GLU  10           H        GLU  10  -3.876  10.244  -5.827
   65    HA   GLU  10           HA       GLU  10  -1.999  11.701  -7.630
   66   1HB   GLU  10          1HB       GLU  10  -4.432  10.862  -8.237
   67   2HB   GLU  10          2HB       GLU  10  -4.941  12.335  -7.430
   68   1HG   GLU  10          1HG       GLU  10  -4.353  13.594  -9.226
   69   2HG   GLU  10          2HG       GLU  10  -2.735  12.906  -9.289
   70    H    ASP  11           H        ASP  11  -3.058  11.860  -4.490
   71    HA   ASP  11           HA       ASP  11  -2.144  14.649  -4.094
   72   1HB   ASP  11          1HB       ASP  11  -4.910  13.591  -3.522
   73   2HB   ASP  11          2HB       ASP  11  -4.172  14.640  -2.322
   74    H    ALA  12           H        ALA  12  -0.295  13.797  -3.197
   75    HA   ALA  12           HA       ALA  12   1.135  12.938  -1.662
   76   1HB   ALA  12          1HB       ALA  12   0.513  13.163   0.696
   77   2HB   ALA  12          2HB       ALA  12   0.067  14.597  -0.267
   78   3HB   ALA  12          3HB       ALA  12  -1.177  13.424   0.232
   79    HA   PRO  13           HA       PRO  13  -0.471   8.627  -1.982
   80   1HB   PRO  13          1HB       PRO  13   1.780   7.471  -3.102
   81   2HB   PRO  13          2HB       PRO  13   0.502   8.316  -4.002
   82   1HG   PRO  13          1HG       PRO  13   3.229   9.314  -3.245
   83   2HG   PRO  13          2HG       PRO  13   2.252   9.663  -4.701
   84   1HD   PRO  13          1HD       PRO  13   2.513  11.304  -2.429
   85   2HD   PRO  13          2HD       PRO  13   1.245  11.458  -3.679
   86    H    ALA  14           H        ALA  14  -0.267   9.235   0.381
   87    HA   ALA  14           HA       ALA  14   1.065   7.135   1.893
   88   1HB   ALA  14          1HB       ALA  14   3.044   8.332   1.819
   89   2HB   ALA  14          2HB       ALA  14   2.239   9.912   1.718
   90   3HB   ALA  14          3HB       ALA  14   2.337   9.048   3.264
   91    H    GLU  15           H        GLU  15  -1.708   7.808   1.615
   92    HA   GLU  15           HA       GLU  15  -2.345   8.848   4.322
   93   1HB   GLU  15          1HB       GLU  15  -2.982  10.266   2.187
   94   2HB   GLU  15          2HB       GLU  15  -4.211   9.042   1.951
   95   1HG   GLU  15          1HG       GLU  15  -5.474  10.338   3.335
   96   2HG   GLU  15          2HG       GLU  15  -4.560   9.596   4.638
   97    H    ASP  16           H        ASP  16  -5.151   7.961   3.475
   98    HA   ASP  16           HA       ASP  16  -5.361   5.583   4.885
   99   1HB   ASP  16          1HB       ASP  16  -7.183   6.181   2.537
  100   2HB   ASP  16          2HB       ASP  16  -7.541   5.306   4.037
  101    H    LEU  17           H        LEU  17  -4.839   5.949   1.414
  102    HA   LEU  17           HA       LEU  17  -4.894   3.319   0.483
  103   1HB   LEU  17          1HB       LEU  17  -4.619   4.554  -1.289
  104   2HB   LEU  17          2HB       LEU  17  -3.850   5.873  -0.445
  105    HG   LEU  17           HG       LEU  17  -2.319   3.387  -1.318
  106   1HD1  LEU  17          1HD1      LEU  17  -1.607   5.410  -3.094
  107   2HD1  LEU  17          2HD1      LEU  17  -2.635   4.010  -3.406
  108   3HD1  LEU  17          3HD1      LEU  17  -3.368   5.563  -2.969
  109   1HD2  LEU  17          1HD2      LEU  17  -0.806   4.384   0.074
  110   2HD2  LEU  17          2HD2      LEU  17  -0.491   5.419  -1.282
  111   3HD2  LEU  17          3HD2      LEU  17  -1.584   5.978  -0.005
  112    H    ALA  18           H        ALA  18  -2.444   4.754   2.596
  113    HA   ALA  18           HA       ALA  18  -0.365   2.816   2.155
  114   1HB   ALA  18          1HB       ALA  18  -0.121   5.095   3.254
  115   2HB   ALA  18          2HB       ALA  18  -0.962   4.440   4.670
  116   3HB   ALA  18          3HB       ALA  18   0.597   3.759   4.174
  117    H    GLN  19           H        GLN  19  -3.171   3.022   4.345
  118    HA   GLN  19           HA       GLN  19  -2.565   0.431   5.578
  119   1HB   GLN  19          1HB       GLN  19  -4.137   2.700   6.350
  120   2HB   GLN  19          2HB       GLN  19  -5.286   1.425   6.028
  121   1HG   GLN  19          1HG       GLN  19  -4.883   0.584   8.050
  122   2HG   GLN  19          2HG       GLN  19  -3.295   0.082   7.515
  123   1HE2  GLN  19          1HE2      GLN  19  -3.994   0.818  10.264
  124   2HE2  GLN  19          2HE2      GLN  19  -3.035   2.265  10.568
  125    H    TYR  20           H        TYR  20  -4.582   1.741   2.975
  126    HA   TYR  20           HA       TYR  20  -6.309  -0.504   2.609
  127   1HB   TYR  20          1HB       TYR  20  -5.140   1.386   0.564
  128   2HB   TYR  20          2HB       TYR  20  -6.442   0.359   0.227
  129    HD1  TYR  20           HD1      TYR  20  -7.152   1.369   3.559
  130    HD2  TYR  20           HD2      TYR  20  -7.106   2.851  -0.514
  131    HE1  TYR  20           HE1      TYR  20  -8.797   3.060   4.162
  132    HE2  TYR  20           HE2      TYR  20  -8.796   4.571   0.130
  133    HH   TYR  20           HH       TYR  20  -9.863   5.035   3.441
  134    H    ALA  21           H        ALA  21  -3.157   0.219   1.085
  135    HA   ALA  21           HA       ALA  21  -2.873  -2.255  -0.320
  136   1HB   ALA  21          1HB       ALA  21  -1.402  -0.481  -0.887
  137   2HB   ALA  21          2HB       ALA  21  -0.871  -0.257   0.797
  138   3HB   ALA  21          3HB       ALA  21  -0.379  -1.704  -0.111
  139    H    ALA  22           H        ALA  22  -2.413  -1.509   3.099
  140    HA   ALA  22           HA       ALA  22  -1.028  -3.999   3.762
  141   1HB   ALA  22          1HB       ALA  22  -1.278  -3.254   6.076
  142   2HB   ALA  22          2HB       ALA  22  -0.637  -1.938   5.077
  143   3HB   ALA  22          3HB       ALA  22  -2.335  -1.933   5.582
  144    H    ASP  23           H        ASP  23  -4.389  -2.731   4.316
  145    HA   ASP  23           HA       ASP  23  -5.544  -5.067   5.372
  146   1HB   ASP  23          1HB       ASP  23  -6.524  -2.675   3.846
  147   2HB   ASP  23          2HB       ASP  23  -7.540  -4.092   3.750
  148    H    LEU  24           H        LEU  24  -5.136  -4.133   1.930
  149    HA   LEU  24           HA       LEU  24  -6.215  -6.615   0.879
  150   1HB   LEU  24          1HB       LEU  24  -4.436  -4.459  -0.243
  151   2HB   LEU  24          2HB       LEU  24  -4.769  -5.906  -1.170
  152    HG   LEU  24           HG       LEU  24  -7.210  -4.674  -0.004
  153   1HD1  LEU  24          1HD1      LEU  24  -6.240  -3.161  -2.389
  154   2HD1  LEU  24          2HD1      LEU  24  -7.376  -2.709  -1.094
  155   3HD1  LEU  24          3HD1      LEU  24  -5.640  -2.688  -0.800
  156   1HD2  LEU  24          1HD2      LEU  24  -7.531  -6.433  -1.571
  157   2HD2  LEU  24          2HD2      LEU  24  -7.957  -4.951  -2.445
  158   3HD2  LEU  24          3HD2      LEU  24  -6.384  -5.724  -2.734
  159    H    ARG  25           H        ARG  25  -2.799  -5.627   1.508
  160    HA   ARG  25           HA       ARG  25  -1.610  -8.136   0.877
  161   1HB   ARG  25          1HB       ARG  25  -0.845  -5.677   2.366
  162   2HB   ARG  25          2HB       ARG  25  -0.081  -7.061   2.999
  163   1HG   ARG  25          1HG       ARG  25  -0.004  -6.988   0.014
  164   2HG   ARG  25          2HG       ARG  25   0.785  -5.609   0.775
  165   1HD   ARG  25          1HD       ARG  25   2.373  -6.904   1.870
  166   2HD   ARG  25          2HD       ARG  25   1.329  -8.339   1.908
  167    HE   ARG  25           HE       ARG  25   2.159  -7.593  -0.778
  168   1HH1  ARG  25          1HH1      ARG  25   3.061  -9.434   2.049
  169   2HH1  ARG  25          2HH1      ARG  25   4.038 -10.583   1.183
  170   1HH2  ARG  25          1HH2      ARG  25   3.383  -9.110  -1.910
  171   2HH2  ARG  25          2HH2      ARG  25   4.202 -10.388  -1.052
  172    H    HIS  26           H        HIS  26  -3.303  -7.193   3.799
  173    HA   HIS  26           HA       HIS  26  -2.521  -9.574   5.278
  174   1HB   HIS  26          1HB       HIS  26  -3.143  -7.363   6.306
  175   2HB   HIS  26          2HB       HIS  26  -4.801  -7.630   5.798
  176    HD2  HIS  26           HD2      HIS  26  -6.197  -9.584   7.100
  177    HE1  HIS  26           HE1      HIS  26  -3.339 -10.315  10.160
  178    H    TYR  27           H        TYR  27  -5.607  -8.483   3.766
  179    HA   TYR  27           HA       TYR  27  -7.091 -10.835   4.089
  180   1HB   TYR  27          1HB       TYR  27  -7.440  -8.374   2.776
  181   2HB   TYR  27          2HB       TYR  27  -7.526  -9.536   1.482
  182    HD1  TYR  27           HD1      TYR  27  -9.757  -9.996   0.925
  183    HD2  TYR  27           HD2      TYR  27  -8.731  -9.343   5.069
  184    HE1  TYR  27           HE1      TYR  27 -12.137 -10.324   1.572
  185    HE2  TYR  27           HE2      TYR  27 -11.117  -9.685   5.709
  186    HH   TYR  27           HH       TYR  27 -13.358 -11.128   3.860
  187    H    ILE  28           H        ILE  28  -4.944  -9.979   1.313
  188    HA   ILE  28           HA       ILE  28  -5.293 -12.418  -0.059
  189    HB   ILE  28           HB       ILE  28  -3.837 -10.108  -0.425
  190   2HG1  ILE  28          2HG1      ILE  28  -5.115 -11.552  -2.040
  191   1HG2  ILE  28          1HG2      ILE  28  -1.822 -10.902   0.649
  192   2HG2  ILE  28          2HG2      ILE  28  -1.785 -12.338  -0.405
  193   3HG2  ILE  28          3HG2      ILE  28  -1.549 -10.710  -1.076
  194   1HD1  ILE  28          1HD1      ILE  28  -2.475 -10.626  -3.184
  195   2HD1  ILE  28          2HD1      ILE  28  -4.073 -10.650  -3.948
  196   3HD1  ILE  28          3HD1      ILE  28  -3.742  -9.495  -2.647
  197    H    ASN  29           H        ASN  29  -2.905 -11.643   2.459
  198    HA   ASN  29           HA       ASN  29  -1.669 -14.235   2.449
  199   1HB   ASN  29          1HB       ASN  29  -1.217 -11.769   3.739
  200   2HB   ASN  29          2HB       ASN  29  -1.571 -12.870   5.049
  201   1HD2  ASN  29          1HD2      ASN  29   0.470 -13.208   5.893
  202   2HD2  ASN  29          2HD2      ASN  29   1.846 -13.672   4.863
  203    H    LEU  30           H        LEU  30  -4.566 -13.055   3.970
  204    HA   LEU  30           HA       LEU  30  -4.966 -15.347   5.716
  205   1HB   LEU  30          1HB       LEU  30  -6.366 -12.815   5.034
  206   2HB   LEU  30          2HB       LEU  30  -7.477 -14.151   5.317
  207    HG   LEU  30           HG       LEU  30  -5.288 -13.230   7.213
  208   1HD1  LEU  30          1HD1      LEU  30  -8.289 -12.915   7.660
  209   2HD1  LEU  30          2HD1      LEU  30  -6.939 -12.100   8.465
  210   3HD1  LEU  30          3HD1      LEU  30  -7.345 -11.686   6.792
  211   1HD2  LEU  30          1HD2      LEU  30  -7.518 -14.890   8.291
  212   2HD2  LEU  30          2HD2      LEU  30  -6.479 -15.759   7.176
  213   3HD2  LEU  30          3HD2      LEU  30  -5.778 -14.969   8.599
  214    H    ILE  31           H        ILE  31  -6.390 -14.286   2.601
  215    HA   ILE  31           HA       ILE  31  -7.887 -16.702   2.167
  216    HB   ILE  31           HB       ILE  31  -7.053 -14.435   0.339
  217   2HG1  ILE  31          2HG1      ILE  31  -9.595 -15.349   1.721
  218   1HG2  ILE  31          1HG2      ILE  31  -6.989 -16.316  -1.156
  219   2HG2  ILE  31          2HG2      ILE  31  -8.490 -16.994  -0.452
  220   3HG2  ILE  31          3HG2      ILE  31  -8.525 -15.508  -1.422
  221   1HD1  ILE  31          1HD1      ILE  31  -8.661 -13.340   2.659
  222   2HD1  ILE  31          2HD1      ILE  31  -8.406 -12.639   1.031
  223   3HD1  ILE  31          3HD1      ILE  31 -10.036 -12.845   1.662
  224    H    THR  32           H        THR  32  -4.624 -15.736   0.925
  225    HA   THR  32           HA       THR  32  -4.209 -18.008  -0.664
  226    HB   THR  32           HB       THR  32  -2.699 -15.920  -0.403
  227    HG1  THR  32           HG1      THR  32  -2.285 -17.742  -1.737
  228   1HG2  THR  32          1HG2      THR  32  -2.113 -16.308   2.050
  229   2HG2  THR  32          2HG2      THR  32  -1.176 -17.720   1.532
  230   3HG2  THR  32          3HG2      THR  32  -0.727 -16.102   0.965
  231    H    ARG  33           H        ARG  33  -3.665 -17.653   2.816
  232    HA   ARG  33           HA       ARG  33  -2.858 -20.463   3.081
  233   1HB   ARG  33          1HB       ARG  33  -1.933 -18.254   4.322
  234   2HB   ARG  33          2HB       ARG  33  -3.221 -18.680   5.467
  235   1HG   ARG  33          1HG       ARG  33  -2.183 -21.115   5.259
  236   2HG   ARG  33          2HG       ARG  33  -0.777 -20.282   4.590
  237   1HD   ARG  33          1HD       ARG  33  -1.980 -19.476   7.277
  238   2HD   ARG  33          2HD       ARG  33  -0.905 -20.859   7.132
  239    HE   ARG  33           HE       ARG  33   0.914 -19.518   6.753
  240   1HH1  ARG  33          1HH1      ARG  33  -1.870 -17.447   6.505
  241   2HH1  ARG  33          2HH1      ARG  33  -0.938 -16.011   6.302
  242   1HH2  ARG  33          1HH2      ARG  33   2.101 -17.630   6.766
  243   2HH2  ARG  33          2HH2      ARG  33   1.282 -16.093   6.760
  244    H    GLN  34           H        GLN  34  -5.565 -19.811   2.243
  245    HA   GLN  34           HA       GLN  34  -7.069 -21.474   4.181
  246   1HB   GLN  34          1HB       GLN  34  -7.575 -19.199   4.884
  247   2HB   GLN  34          2HB       GLN  34  -7.874 -18.708   3.220
  248   1HG   GLN  34          1HG       GLN  34  -9.967 -18.879   4.302
  249   2HG   GLN  34          2HG       GLN  34  -9.892 -20.167   3.125
  250   1HE2  GLN  34          1HE2      GLN  34 -11.491 -19.839   5.738
  251   2HE2  GLN  34          2HE2      GLN  34 -11.057 -21.345   6.563
  252    H    ARG  35           H        ARG  35  -7.113 -19.876   0.992
  253    HA   ARG  35           HA       ARG  35  -9.142 -21.595  -0.142
  254   1HB   ARG  35          1HB       ARG  35  -8.130 -19.153  -0.818
  255   2HB   ARG  35          2HB       ARG  35  -7.147 -20.131  -1.864
  256   1HG   ARG  35          1HG       ARG  35  -9.501 -21.222  -2.553
  257   2HG   ARG  35          2HG       ARG  35 -10.156 -19.784  -1.763
  258   1HD   ARG  35          1HD       ARG  35  -8.397 -18.540  -3.375
  259   2HD   ARG  35          2HD       ARG  35  -8.569 -20.047  -4.297
  260    HE   ARG  35           HE       ARG  35 -11.097 -18.812  -3.544
  261   1HH1  ARG  35          1HH1      ARG  35  -8.661 -18.952  -6.062
  262   2HH1  ARG  35          2HH1      ARG  35  -9.781 -18.545  -7.325
  263   1HH2  ARG  35          1HH2      ARG  35 -12.476 -18.148  -5.180
  264   2HH2  ARG  35          2HH2      ARG  35 -11.855 -17.937  -6.788
  265    H    TYR  36           H        TYR  36  -7.610 -22.136  -2.601
  266    HA   TYR  36           HA       TYR  36  -7.007 -24.598  -2.946
  267   1HB   TYR  36          1HB       TYR  36  -5.095 -23.985  -4.391
  268   2HB   TYR  36          2HB       TYR  36  -6.538 -23.027  -4.618
  269    HD1  TYR  36           HD1      TYR  36  -3.021 -22.928  -3.517
  270    HD2  TYR  36           HD2      TYR  36  -6.609 -20.660  -4.082
  271    HE1  TYR  36           HE1      TYR  36  -1.731 -20.821  -3.223
  272    HE2  TYR  36           HE2      TYR  36  -5.344 -18.530  -3.718
  273    HH   TYR  36           HH       TYR  36  -1.875 -18.493  -3.688
  274   1HN   NH2  37          1HN       NH2  37  -6.668 -25.577  -0.726
  275   2HN   NH2  37          2HN       NH2  37  -4.983 -25.814  -0.289
  Start of MODEL   13
    1   1H    TYR   1          1H        TYR   1 -28.880   3.812   7.341
    2   2H    TYR   1          2H        TYR   1 -28.076   4.119   8.744
    3   3H    TYR   1          3H        TYR   1 -29.620   3.557   8.793
    4    HA   TYR   1           HA       TYR   1 -30.551   5.513   8.146
    5   1HB   TYR   1          1HB       TYR   1 -28.428   5.726  10.164
    6   2HB   TYR   1          2HB       TYR   1 -28.742   7.262   9.373
    7    HD1  TYR   1           HD1      TYR   1 -29.714   5.281  12.092
    8    HD2  TYR   1           HD2      TYR   1 -31.314   7.854   9.008
    9    HE1  TYR   1           HE1      TYR   1 -31.664   5.794  13.533
   10    HE2  TYR   1           HE2      TYR   1 -33.281   8.354  10.472
   11    HH   TYR   1           HH       TYR   1 -33.410   7.527  13.808
   12    HA   PRO   2           HA       PRO   2 -27.605   8.271   5.756
   13   1HB   PRO   2          1HB       PRO   2 -24.949   7.557   5.320
   14   2HB   PRO   2          2HB       PRO   2 -25.537   8.582   6.652
   15   1HG   PRO   2          1HG       PRO   2 -24.639   5.744   6.750
   16   2HG   PRO   2          2HG       PRO   2 -24.665   6.979   8.043
   17   1HD   PRO   2          1HD       PRO   2 -26.513   4.870   7.627
   18   2HD   PRO   2          2HD       PRO   2 -26.672   6.240   8.772
   19    H    SER   3           H        SER   3 -26.055   5.125   5.124
   20    HA   SER   3           HA       SER   3 -27.658   4.390   2.878
   21   1HB   SER   3          1HB       SER   3 -26.613   6.132   1.635
   22   2HB   SER   3          2HB       SER   3 -25.005   5.753   2.264
   23    HG   SER   3           HG       SER   3 -24.836   4.165   0.821
   24    H    LYS   4           H        LYS   4 -24.095   4.048   3.189
   25    HA   LYS   4           HA       LYS   4 -24.221   1.537   4.571
   26   1HB   LYS   4          1HB       LYS   4 -24.288   1.548   1.642
   27   2HB   LYS   4          2HB       LYS   4 -22.732   0.964   2.160
   28   1HG   LYS   4          1HG       LYS   4 -23.828  -1.024   2.165
   29   2HG   LYS   4          2HG       LYS   4 -24.170  -0.562   3.825
   30   1HD   LYS   4          1HD       LYS   4 -26.235   0.491   2.026
   31   2HD   LYS   4          2HD       LYS   4 -26.006  -1.242   1.782
   32   1HE   LYS   4          1HE       LYS   4 -26.375  -1.699   4.143
   33   2HE   LYS   4          2HE       LYS   4 -26.416   0.033   4.509
   34   1HZ   LYS   4          1HZ       LYS   4 -28.378   0.252   3.184
   35   2HZ   LYS   4          2HZ       LYS   4 -28.359  -1.329   2.734
   36   3HZ   LYS   4          3HZ       LYS   4 -28.659  -0.928   4.299
   37    HA   PRO   5           HA       PRO   5 -20.084   2.925   5.539
   38   1HB   PRO   5          1HB       PRO   5 -18.830   0.583   6.260
   39   2HB   PRO   5          2HB       PRO   5 -20.051   1.419   7.264
   40   1HG   PRO   5          1HG       PRO   5 -20.346  -1.064   5.613
   41   2HG   PRO   5          2HG       PRO   5 -21.237  -0.555   7.080
   42   1HD   PRO   5          1HD       PRO   5 -22.061  -0.343   4.366
   43   2HD   PRO   5          2HD       PRO   5 -22.890   0.351   5.799
   44    H    ASP   6           H        ASP   6 -18.969   3.717   3.847
   45    HA   ASP   6           HA       ASP   6 -16.823   2.380   2.688
   46   1HB   ASP   6          1HB       ASP   6 -19.320   1.941   1.200
   47   2HB   ASP   6          2HB       ASP   6 -18.262   2.970   0.264
   48    H    ASN   7           H        ASN   7 -15.696   3.818   1.202
   49    HA   ASN   7           HA       ASN   7 -16.589   6.354   0.376
   50   1HB   ASN   7          1HB       ASN   7 -15.998   6.456   3.150
   51   2HB   ASN   7          2HB       ASN   7 -14.610   7.192   2.379
   52   1HD2  ASN   7          1HD2      ASN   7 -17.657   7.872   3.575
   53   2HD2  ASN   7          2HD2      ASN   7 -17.911   9.342   2.613
   54    HA   PRO   8           HA       PRO   8 -12.660   4.904  -1.513
   55   1HB   PRO   8          1HB       PRO   8 -13.322   5.493  -4.147
   56   2HB   PRO   8          2HB       PRO   8 -13.669   3.949  -3.326
   57   1HG   PRO   8          1HG       PRO   8 -15.539   6.176  -4.000
   58   2HG   PRO   8          2HG       PRO   8 -15.872   4.434  -3.770
   59   1HD   PRO   8          1HD       PRO   8 -16.295   6.556  -1.899
   60   2HD   PRO   8          2HD       PRO   8 -16.453   4.801  -1.583
   61    H    GLY   9           H        GLY   9 -11.178   6.144  -3.055
   62   1HA   GLY   9          1HA       GLY   9 -11.195   9.055  -2.330
   63   2HA   GLY   9          2HA       GLY   9  -9.767   8.098  -2.746
   64    H    GLU  10           H        GLU  10  -9.028   8.459  -4.687
   65    HA   GLU  10           HA       GLU  10 -10.295   8.331  -7.154
   66   1HB   GLU  10          1HB       GLU  10 -11.515  10.278  -6.836
   67   2HB   GLU  10          2HB       GLU  10 -10.247  11.130  -5.992
   68   1HG   GLU  10          1HG       GLU  10  -9.878  10.365  -8.910
   69   2HG   GLU  10          2HG       GLU  10 -11.037  11.620  -8.517
   70    H    ASP  11           H        ASP  11  -7.767  10.176  -5.478
   71    HA   ASP  11           HA       ASP  11  -5.574   8.693  -6.680
   72   1HB   ASP  11          1HB       ASP  11  -6.506  11.211  -7.969
   73   2HB   ASP  11          2HB       ASP  11  -4.813  11.219  -7.532
   74    H    ALA  12           H        ALA  12  -4.432   8.473  -4.834
   75    HA   ALA  12           HA       ALA  12  -3.145  10.746  -3.671
   76   1HB   ALA  12          1HB       ALA  12  -4.710   9.444  -1.462
   77   2HB   ALA  12          2HB       ALA  12  -4.135  11.106  -1.666
   78   3HB   ALA  12          3HB       ALA  12  -5.578  10.555  -2.518
   79    HA   PRO  13           HA       PRO  13  -1.023   6.653  -3.308
   80   1HB   PRO  13          1HB       PRO  13   1.255   7.203  -4.782
   81   2HB   PRO  13          2HB       PRO  13  -0.284   6.608  -5.436
   82   1HG   PRO  13          1HG       PRO  13   0.838   9.386  -5.519
   83   2HG   PRO  13          2HG       PRO  13  -0.214   8.538  -6.696
   84   1HD   PRO  13          1HD       PRO  13  -1.020  10.409  -4.736
   85   2HD   PRO  13          2HD       PRO  13  -2.091   9.340  -5.680
   86    H    ALA  14           H        ALA  14  -1.190   8.317  -1.158
   87    HA   ALA  14           HA       ALA  14   1.216   7.952   0.324
   88   1HB   ALA  14          1HB       ALA  14   1.394  10.605   0.644
   89   2HB   ALA  14          2HB       ALA  14   2.276   9.794  -0.664
   90   3HB   ALA  14          3HB       ALA  14   0.745  10.630  -1.005
   91    H    GLU  15           H        GLU  15   0.321   7.554   2.313
   92    HA   GLU  15           HA       GLU  15  -0.825   7.636   4.155
   93   1HB   GLU  15          1HB       GLU  15  -0.417  10.062   4.096
   94   2HB   GLU  15          2HB       GLU  15  -1.933  10.294   3.244
   95   1HG   GLU  15          1HG       GLU  15  -3.242   9.610   5.098
   96   2HG   GLU  15          2HG       GLU  15  -1.864   8.874   5.920
   97    H    ASP  16           H        ASP  16  -2.673   6.760   4.774
   98    HA   ASP  16           HA       ASP  16  -4.781   5.779   4.766
   99   1HB   ASP  16          1HB       ASP  16  -5.382   8.046   3.581
  100   2HB   ASP  16          2HB       ASP  16  -5.437   7.078   2.115
  101    H    LEU  17           H        LEU  17  -3.372   5.967   1.520
  102    HA   LEU  17           HA       LEU  17  -4.200   3.478   0.490
  103   1HB   LEU  17          1HB       LEU  17  -3.067   5.237  -0.876
  104   2HB   LEU  17          2HB       LEU  17  -1.563   4.948   0.007
  105    HG   LEU  17           HG       LEU  17  -1.475   2.615  -0.864
  106   1HD1  LEU  17          1HD1      LEU  17  -3.242   2.550  -3.027
  107   2HD1  LEU  17          2HD1      LEU  17  -3.392   1.669  -1.498
  108   3HD1  LEU  17          3HD1      LEU  17  -4.226   3.222  -1.732
  109   1HD2  LEU  17          1HD2      LEU  17  -0.348   4.402  -2.074
  110   2HD2  LEU  17          2HD2      LEU  17  -0.918   3.113  -3.145
  111   3HD2  LEU  17          3HD2      LEU  17  -1.816   4.648  -3.065
  112    H    ALA  18           H        ALA  18  -1.312   4.189   2.521
  113    HA   ALA  18           HA       ALA  18  -0.191   1.612   2.523
  114   1HB   ALA  18          1HB       ALA  18   0.694   3.736   3.685
  115   2HB   ALA  18          2HB       ALA  18  -0.394   3.305   5.025
  116   3HB   ALA  18          3HB       ALA  18   0.895   2.194   4.541
  117    H    GLN  19           H        GLN  19  -3.050   2.819   4.317
  118    HA   GLN  19           HA       GLN  19  -3.397   0.405   5.873
  119   1HB   GLN  19          1HB       GLN  19  -4.381   2.920   6.176
  120   2HB   GLN  19          2HB       GLN  19  -5.712   2.208   5.265
  121   1HG   GLN  19          1HG       GLN  19  -5.226   0.216   7.115
  122   2HG   GLN  19          2HG       GLN  19  -4.742   1.642   8.039
  123   1HE2  GLN  19          1HE2      GLN  19  -6.960  -0.161   8.608
  124   2HE2  GLN  19          2HE2      GLN  19  -8.427   0.800   8.387
  125    H    TYR  20           H        TYR  20  -4.852   1.736   2.872
  126    HA   TYR  20           HA       TYR  20  -6.698  -0.391   2.383
  127   1HB   TYR  20          1HB       TYR  20  -6.773   1.812   1.290
  128   2HB   TYR  20          2HB       TYR  20  -5.263   1.511   0.497
  129    HD1  TYR  20           HD1      TYR  20  -8.453  -0.517   0.834
  130    HD2  TYR  20           HD2      TYR  20  -5.517   1.224  -1.797
  131    HE1  TYR  20           HE1      TYR  20  -9.617  -1.486  -1.148
  132    HE2  TYR  20           HE2      TYR  20  -6.689   0.266  -3.762
  133    HH   TYR  20           HH       TYR  20  -9.366  -0.515  -4.150
  134    H    ALA  21           H        ALA  21  -3.502   0.209   0.942
  135    HA   ALA  21           HA       ALA  21  -3.237  -2.237  -0.509
  136   1HB   ALA  21          1HB       ALA  21  -1.878  -0.189  -0.906
  137   2HB   ALA  21          2HB       ALA  21  -1.074  -0.427   0.660
  138   3HB   ALA  21          3HB       ALA  21  -0.863  -1.620  -0.640
  139    H    ALA  22           H        ALA  22  -2.542  -1.398   2.894
  140    HA   ALA  22           HA       ALA  22  -1.200  -3.898   3.529
  141   1HB   ALA  22          1HB       ALA  22  -2.454  -1.814   5.348
  142   2HB   ALA  22          2HB       ALA  22  -1.532  -3.228   5.889
  143   3HB   ALA  22          3HB       ALA  22  -0.722  -1.987   4.926
  144    H    ASP  23           H        ASP  23  -4.567  -2.639   4.138
  145    HA   ASP  23           HA       ASP  23  -5.610  -4.985   5.330
  146   1HB   ASP  23          1HB       ASP  23  -6.726  -2.589   3.923
  147   2HB   ASP  23          2HB       ASP  23  -7.692  -4.023   3.732
  148    H    LEU  24           H        LEU  24  -5.320  -4.066   1.889
  149    HA   LEU  24           HA       LEU  24  -6.461  -6.566   0.943
  150   1HB   LEU  24          1HB       LEU  24  -4.654  -4.591  -0.510
  151   2HB   LEU  24          2HB       LEU  24  -5.487  -5.960  -1.242
  152    HG   LEU  24           HG       LEU  24  -6.577  -3.320  -0.326
  153   1HD1  LEU  24          1HD1      LEU  24  -7.725  -4.940  -2.564
  154   2HD1  LEU  24          2HD1      LEU  24  -7.452  -3.201  -2.417
  155   3HD1  LEU  24          3HD1      LEU  24  -6.095  -4.263  -2.766
  156   1HD2  LEU  24          1HD2      LEU  24  -8.919  -4.169  -0.369
  157   2HD2  LEU  24          2HD2      LEU  24  -8.284  -5.835  -0.321
  158   3HD2  LEU  24          3HD2      LEU  24  -8.004  -4.717   1.033
  159    H    ARG  25           H        ARG  25  -3.065  -5.560   1.503
  160    HA   ARG  25           HA       ARG  25  -1.858  -8.040   0.745
  161   1HB   ARG  25          1HB       ARG  25  -1.082  -5.596   2.202
  162   2HB   ARG  25          2HB       ARG  25  -0.347  -6.969   2.910
  163   1HG   ARG  25          1HG       ARG  25  -0.204  -6.836  -0.103
  164   2HG   ARG  25          2HG       ARG  25   0.626  -5.559   0.764
  165   1HD   ARG  25          1HD       ARG  25   2.367  -6.922   1.036
  166   2HD   ARG  25          2HD       ARG  25   1.400  -7.825   2.198
  167    HE   ARG  25           HE       ARG  25   0.976  -8.623  -0.576
  168   1HH1  ARG  25          1HH1      ARG  25   2.841  -9.221   2.311
  169   2HH1  ARG  25          2HH1      ARG  25   3.200 -10.868   1.899
  170   1HH2  ARG  25          1HH2      ARG  25   1.596 -10.722  -1.163
  171   2HH2  ARG  25          2HH2      ARG  25   2.505 -11.684  -0.025
  172    H    HIS  26           H        HIS  26  -3.193  -7.031   3.880
  173    HA   HIS  26           HA       HIS  26  -2.407  -9.367   5.328
  174   1HB   HIS  26          1HB       HIS  26  -3.092  -7.099   6.272
  175   2HB   HIS  26          2HB       HIS  26  -4.764  -7.548   5.947
  176    HD2  HIS  26           HD2      HIS  26  -5.906  -9.246   7.706
  177    HE1  HIS  26           HE1      HIS  26  -2.495  -9.980  10.142
  178    H    TYR  27           H        TYR  27  -5.575  -8.386   3.904
  179    HA   TYR  27           HA       TYR  27  -6.981 -10.787   4.273
  180   1HB   TYR  27          1HB       TYR  27  -7.231  -8.428   2.530
  181   2HB   TYR  27          2HB       TYR  27  -7.681  -9.873   1.687
  182    HD1  TYR  27           HD1      TYR  27  -8.906  -7.367   3.801
  183    HD2  TYR  27           HD2      TYR  27  -9.195 -11.596   3.022
  184    HE1  TYR  27           HE1      TYR  27 -11.184  -7.397   4.821
  185    HE2  TYR  27           HE2      TYR  27 -11.486 -11.624   4.026
  186    HH   TYR  27           HH       TYR  27 -12.800  -8.822   5.691
  187    H    ILE  28           H        ILE  28  -5.005  -9.884   1.340
  188    HA   ILE  28           HA       ILE  28  -5.324 -12.368   0.097
  189    HB   ILE  28           HB       ILE  28  -3.980 -10.048  -0.476
  190   2HG1  ILE  28          2HG1      ILE  28  -5.290 -11.629  -1.946
  191   1HG2  ILE  28          1HG2      ILE  28  -1.862 -12.223  -0.484
  192   2HG2  ILE  28          2HG2      ILE  28  -1.721 -10.642  -1.273
  193   3HG2  ILE  28          3HG2      ILE  28  -1.855 -10.730   0.473
  194   1HD1  ILE  28          1HD1      ILE  28  -3.372  -9.664  -2.639
  195   2HD1  ILE  28          2HD1      ILE  28  -3.062 -11.041  -3.710
  196   3HD1  ILE  28          3HD1      ILE  28  -4.679 -10.305  -3.636
  197    H    ASN  29           H        ASN  29  -2.742 -11.435   2.357
  198    HA   ASN  29           HA       ASN  29  -1.339 -13.867   2.436
  199   1HB   ASN  29          1HB       ASN  29  -1.398 -11.427   3.973
  200   2HB   ASN  29          2HB       ASN  29  -1.479 -12.727   5.113
  201   1HD2  ASN  29          1HD2      ASN  29   0.289 -14.226   5.246
  202   2HD2  ASN  29          2HD2      ASN  29   1.841 -13.726   4.581
  203    H    LEU  30           H        LEU  30  -4.352 -13.025   4.075
  204    HA   LEU  30           HA       LEU  30  -4.496 -15.516   5.616
  205   1HB   LEU  30          1HB       LEU  30  -6.490 -13.275   5.070
  206   2HB   LEU  30          2HB       LEU  30  -6.849 -14.673   6.069
  207    HG   LEU  30           HG       LEU  30  -4.487 -12.823   6.633
  208   1HD1  LEU  30          1HD1      LEU  30  -7.363 -12.693   7.593
  209   2HD1  LEU  30          2HD1      LEU  30  -6.005 -11.827   8.360
  210   3HD1  LEU  30          3HD1      LEU  30  -6.447 -11.473   6.682
  211   1HD2  LEU  30          1HD2      LEU  30  -3.960 -14.378   8.131
  212   2HD2  LEU  30          2HD2      LEU  30  -5.454 -14.008   8.999
  213   3HD2  LEU  30          3HD2      LEU  30  -5.424 -15.323   7.810
  214    H    ILE  31           H        ILE  31  -6.286 -14.175   2.809
  215    HA   ILE  31           HA       ILE  31  -7.872 -16.389   2.129
  216    HB   ILE  31           HB       ILE  31  -6.593 -14.416   0.252
  217   2HG1  ILE  31          2HG1      ILE  31  -8.241 -13.614   2.227
  218   1HG2  ILE  31          1HG2      ILE  31  -9.236 -15.813  -0.302
  219   2HG2  ILE  31          2HG2      ILE  31  -8.100 -15.046  -1.424
  220   3HG2  ILE  31          3HG2      ILE  31  -7.730 -16.623  -0.723
  221   1HD1  ILE  31          1HD1      ILE  31  -8.561 -12.756  -0.685
  222   2HD1  ILE  31          2HD1      ILE  31  -9.207 -11.872   0.720
  223   3HD1  ILE  31          3HD1      ILE  31  -7.466 -12.060   0.515
  224    H    THR  32           H        THR  32  -4.434 -15.720   1.249
  225    HA   THR  32           HA       THR  32  -4.040 -18.094  -0.290
  226    HB   THR  32           HB       THR  32  -1.607 -17.709   0.192
  227    HG1  THR  32           HG1      THR  32  -2.086 -16.489   2.299
  228   1HG2  THR  32          1HG2      THR  32  -2.354 -16.648  -1.780
  229   2HG2  THR  32          2HG2      THR  32  -3.422 -15.528  -0.911
  230   3HG2  THR  32          3HG2      THR  32  -1.675 -15.290  -0.851
  231    H    ARG  33           H        ARG  33  -3.946 -17.574   3.200
  232    HA   ARG  33           HA       ARG  33  -2.947 -20.271   3.778
  233   1HB   ARG  33          1HB       ARG  33  -2.538 -17.998   5.117
  234   2HB   ARG  33          2HB       ARG  33  -4.107 -18.383   5.840
  235   1HG   ARG  33          1HG       ARG  33  -2.957 -20.782   6.239
  236   2HG   ARG  33          2HG       ARG  33  -1.468 -19.880   5.951
  237   1HD   ARG  33          1HD       ARG  33  -2.358 -18.234   7.757
  238   2HD   ARG  33          2HD       ARG  33  -3.568 -19.489   8.107
  239    HE   ARG  33           HE       ARG  33  -0.793 -20.427   8.042
  240   1HH1  ARG  33          1HH1      ARG  33  -3.308 -19.224  10.133
  241   2HH1  ARG  33          2HH1      ARG  33  -2.572 -19.815  11.591
  242   1HH2  ARG  33          1HH2      ARG  33   0.198 -21.125   9.907
  243   2HH2  ARG  33          2HH2      ARG  33  -0.565 -20.854  11.447
  244    H    GLN  34           H        GLN  34  -5.721 -19.433   2.561
  245    HA   GLN  34           HA       GLN  34  -7.172 -21.678   3.860
  246   1HB   GLN  34          1HB       GLN  34  -9.248 -20.423   4.105
  247   2HB   GLN  34          2HB       GLN  34  -7.963 -19.691   5.065
  248   1HG   GLN  34          1HG       GLN  34  -7.852 -17.807   3.770
  249   2HG   GLN  34          2HG       GLN  34  -8.348 -18.628   2.292
  250   1HE2  GLN  34          1HE2      GLN  34 -10.548 -19.045   1.880
  251   2HE2  GLN  34          2HE2      GLN  34 -11.732 -17.925   2.595
  252    H    ARG  35           H        ARG  35  -5.813 -21.269   1.259
  253    HA   ARG  35           HA       ARG  35  -8.108 -22.006  -0.486
  254   1HB   ARG  35          1HB       ARG  35  -6.993 -19.589  -0.771
  255   2HB   ARG  35          2HB       ARG  35  -5.819 -20.466  -1.719
  256   1HG   ARG  35          1HG       ARG  35  -7.859 -21.431  -2.997
  257   2HG   ARG  35          2HG       ARG  35  -8.858 -20.326  -2.038
  258   1HD   ARG  35          1HD       ARG  35  -7.719 -18.390  -2.950
  259   2HD   ARG  35          2HD       ARG  35  -6.553 -19.416  -3.803
  260    HE   ARG  35           HE       ARG  35  -9.044 -20.267  -4.706
  261   1HH1  ARG  35          1HH1      ARG  35  -7.274 -17.266  -4.828
  262   2HH1  ARG  35          2HH1      ARG  35  -8.060 -16.739  -6.297
  263   1HH2  ARG  35          1HH2      ARG  35  -9.935 -19.621  -6.664
  264   2HH2  ARG  35          2HH2      ARG  35  -9.421 -18.136  -7.398
  265    H    TYR  36           H        TYR  36  -6.030 -22.246  -2.667
  266    HA   TYR  36           HA       TYR  36  -5.448 -24.914  -2.883
  267   1HB   TYR  36          1HB       TYR  36  -3.829 -24.238  -4.529
  268   2HB   TYR  36          2HB       TYR  36  -5.172 -23.105  -4.601
  269    HD1  TYR  36           HD1      TYR  36  -4.847 -20.726  -3.954
  270    HD2  TYR  36           HD2      TYR  36  -1.639 -23.580  -3.627
  271    HE1  TYR  36           HE1      TYR  36  -3.256 -18.867  -3.451
  272    HE2  TYR  36           HE2      TYR  36  -0.043 -21.709  -3.158
  273    HH   TYR  36           HH       TYR  36  -0.991 -18.640  -2.238
  274   1HN   NH2  37          1HN       NH2  37  -3.530 -22.573  -0.903
  275   2HN   NH2  37          2HN       NH2  37  -2.471 -23.833  -0.280
  Start of MODEL   14
    1   1H    TYR   1          1H        TYR   1  -7.340  24.878   3.206
    2   2H    TYR   1          2H        TYR   1  -6.121  25.708   2.469
    3   3H    TYR   1          3H        TYR   1  -7.669  26.245   2.342
    4    HA   TYR   1           HA       TYR   1  -6.350  24.097   0.937
    5   1HB   TYR   1          1HB       TYR   1  -9.321  23.956   1.528
    6   2HB   TYR   1          2HB       TYR   1  -8.375  22.837   0.555
    7    HD1  TYR   1           HD1      TYR   1  -6.071  22.061   2.063
    8    HD2  TYR   1           HD2      TYR   1 -10.032  23.011   3.541
    9    HE1  TYR   1           HE1      TYR   1  -5.581  20.861   4.177
   10    HE2  TYR   1           HE2      TYR   1  -9.528  21.776   5.640
   11    HH   TYR   1           HH       TYR   1  -6.362  20.296   6.298
   12    HA   PRO   2           HA       PRO   2  -7.731  27.609  -1.658
   13   1HB   PRO   2          1HB       PRO   2  -5.514  27.686  -3.320
   14   2HB   PRO   2          2HB       PRO   2  -5.661  28.550  -1.772
   15   1HG   PRO   2          1HG       PRO   2  -4.102  26.078  -2.388
   16   2HG   PRO   2          2HG       PRO   2  -3.815  27.319  -1.140
   17   1HD   PRO   2          1HD       PRO   2  -4.998  24.763  -0.769
   18   2HD   PRO   2          2HD       PRO   2  -4.982  26.108   0.403
   19    H    SER   3           H        SER   3  -5.903  24.907  -3.091
   20    HA   SER   3           HA       SER   3  -8.205  23.888  -4.483
   21   1HB   SER   3          1HB       SER   3  -7.120  25.918  -5.962
   22   2HB   SER   3          2HB       SER   3  -6.142  24.559  -6.535
   23    HG   SER   3           HG       SER   3  -7.963  24.496  -7.767
   24    H    LYS   4           H        LYS   4  -4.666  24.032  -4.708
   25    HA   LYS   4           HA       LYS   4  -3.105  22.456  -5.275
   26   1HB   LYS   4          1HB       LYS   4  -2.405  21.281  -3.386
   27   2HB   LYS   4          2HB       LYS   4  -3.137  22.773  -2.860
   28   1HG   LYS   4          1HG       LYS   4  -4.177  21.499  -1.309
   29   2HG   LYS   4          2HG       LYS   4  -5.302  21.131  -2.599
   30   1HD   LYS   4          1HD       LYS   4  -4.815  18.954  -2.157
   31   2HD   LYS   4          2HD       LYS   4  -3.346  19.232  -3.075
   32   1HE   LYS   4          1HE       LYS   4  -2.594  20.133  -0.572
   33   2HE   LYS   4          2HE       LYS   4  -3.747  18.854  -0.180
   34   1HZ   LYS   4          1HZ       LYS   4  -2.388  17.476  -1.831
   35   2HZ   LYS   4          2HZ       LYS   4  -1.234  18.632  -1.678
   36   3HZ   LYS   4          3HZ       LYS   4  -1.710  17.784  -0.352
   37    HA   PRO   5           HA       PRO   5  -5.754  19.306  -7.281
   38   1HB   PRO   5          1HB       PRO   5  -4.808  19.501  -9.843
   39   2HB   PRO   5          2HB       PRO   5  -5.998  20.619  -9.134
   40   1HG   PRO   5          1HG       PRO   5  -3.051  21.050  -9.558
   41   2HG   PRO   5          2HG       PRO   5  -4.402  22.214  -9.715
   42   1HD   PRO   5          1HD       PRO   5  -2.692  21.921  -7.491
   43   2HD   PRO   5          2HD       PRO   5  -4.268  22.767  -7.474
   44    H    ASP   6           H        ASP   6  -4.206  18.350  -5.618
   45    HA   ASP   6           HA       ASP   6  -2.354  16.380  -6.857
   46   1HB   ASP   6          1HB       ASP   6  -1.569  18.420  -5.102
   47   2HB   ASP   6          2HB       ASP   6  -1.993  17.147  -3.973
   48    H    ASN   7           H        ASN   7  -2.133  14.472  -5.327
   49    HA   ASN   7           HA       ASN   7  -4.506  13.142  -5.033
   50   1HB   ASN   7          1HB       ASN   7  -1.876  12.486  -4.678
   51   2HB   ASN   7          2HB       ASN   7  -2.432  12.398  -3.014
   52   1HD2  ASN   7          1HD2      ASN   7  -3.788  10.586  -2.410
   53   2HD2  ASN   7          2HD2      ASN   7  -4.153   9.373  -3.643
   54    HA   PRO   8           HA       PRO   8  -6.345  15.107  -1.447
   55   1HB   PRO   8          1HB       PRO   8  -8.494  13.406  -1.023
   56   2HB   PRO   8          2HB       PRO   8  -8.435  14.712  -2.245
   57   1HG   PRO   8          1HG       PRO   8  -8.160  11.767  -2.655
   58   2HG   PRO   8          2HG       PRO   8  -8.776  13.019  -3.776
   59   1HD   PRO   8          1HD       PRO   8  -6.202  11.842  -3.798
   60   2HD   PRO   8          2HD       PRO   8  -6.695  13.311  -4.689
   61    H    GLY   9           H        GLY   9  -5.806  14.967   0.633
   62   1HA   GLY   9          1HA       GLY   9  -5.257  12.347   1.922
   63   2HA   GLY   9          2HA       GLY   9  -4.168  13.735   2.098
   64    H    GLU  10           H        GLU  10  -4.467  14.312   4.155
   65    HA   GLU  10           HA       GLU  10  -6.862  15.652   5.013
   66   1HB   GLU  10          1HB       GLU  10  -7.557  13.300   5.378
   67   2HB   GLU  10          2HB       GLU  10  -6.213  13.049   6.468
   68   1HG   GLU  10          1HG       GLU  10  -8.267  15.267   6.912
   69   2HG   GLU  10          2HG       GLU  10  -8.640  13.604   7.340
   70    H    ASP  11           H        ASP  11  -3.987  14.001   6.266
   71    HA   ASP  11           HA       ASP  11  -3.070  16.512   7.620
   72   1HB   ASP  11          1HB       ASP  11  -3.766  14.810   9.225
   73   2HB   ASP  11          2HB       ASP  11  -2.739  13.612   8.478
   74    H    ALA  12           H        ALA  12  -1.632  13.344   6.556
   75    HA   ALA  12           HA       ALA  12   0.338  14.815   4.907
   76   1HB   ALA  12          1HB       ALA  12   1.932  14.215   6.393
   77   2HB   ALA  12          2HB       ALA  12   0.701  13.543   7.467
   78   3HB   ALA  12          3HB       ALA  12   1.463  12.499   6.262
   79    HA   PRO  13           HA       PRO  13  -0.203  11.397   2.046
   80   1HB   PRO  13          1HB       PRO  13   2.360  10.840   1.175
   81   2HB   PRO  13          2HB       PRO  13   1.394  12.247   0.654
   82   1HG   PRO  13          1HG       PRO  13   3.711  12.168   2.522
   83   2HG   PRO  13          2HG       PRO  13   3.110  13.512   1.506
   84   1HD   PRO  13          1HD       PRO  13   2.660  13.081   4.297
   85   2HD   PRO  13          2HD       PRO  13   1.908  14.338   3.266
   86    H    ALA  14           H        ALA  14  -0.318   9.220   2.106
   87    HA   ALA  14           HA       ALA  14  -0.026   7.050   2.618
   88   1HB   ALA  14          1HB       ALA  14   2.010   6.163   3.138
   89   2HB   ALA  14          2HB       ALA  14   2.529   7.777   2.637
   90   3HB   ALA  14          3HB       ALA  14   2.374   7.397   4.359
   91    H    GLU  15           H        GLU  15  -1.850   8.520   3.960
   92    HA   GLU  15           HA       GLU  15  -1.932   7.290   6.668
   93   1HB   GLU  15          1HB       GLU  15  -2.197  10.009   5.699
   94   2HB   GLU  15          2HB       GLU  15  -3.698   9.550   6.480
   95   1HG   GLU  15          1HG       GLU  15  -2.620   8.976   8.524
   96   2HG   GLU  15          2HG       GLU  15  -1.014   8.953   7.785
   97    H    ASP  16           H        ASP  16  -3.265   6.928   3.836
   98    HA   ASP  16           HA       ASP  16  -5.639   5.461   4.869
   99   1HB   ASP  16          1HB       ASP  16  -5.743   7.786   2.953
  100   2HB   ASP  16          2HB       ASP  16  -6.730   6.389   2.548
  101    H    LEU  17           H        LEU  17  -4.570   6.249   1.565
  102    HA   LEU  17           HA       LEU  17  -4.862   3.764   0.450
  103   1HB   LEU  17          1HB       LEU  17  -3.996   4.586  -1.423
  104   2HB   LEU  17          2HB       LEU  17  -4.369   6.061  -0.583
  105    HG   LEU  17           HG       LEU  17  -2.355   6.363  -1.702
  106   1HD1  LEU  17          1HD1      LEU  17  -1.112   5.929   0.984
  107   2HD1  LEU  17          2HD1      LEU  17  -1.013   7.297  -0.117
  108   3HD1  LEU  17          3HD1      LEU  17  -2.484   7.055   0.848
  109   1HD2  LEU  17          1HD2      LEU  17  -0.817   4.133  -0.382
  110   2HD2  LEU  17          2HD2      LEU  17  -1.840   3.800  -1.792
  111   3HD2  LEU  17          3HD2      LEU  17  -0.529   4.983  -1.902
  112    H    ALA  18           H        ALA  18  -2.293   4.728   2.473
  113    HA   ALA  18           HA       ALA  18  -0.310   2.708   1.964
  114   1HB   ALA  18          1HB       ALA  18   0.234   4.749   3.150
  115   2HB   ALA  18          2HB       ALA  18  -0.992   4.448   4.395
  116   3HB   ALA  18          3HB       ALA  18   0.442   3.407   4.287
  117    H    GLN  19           H        GLN  19  -2.879   2.996   4.465
  118    HA   GLN  19           HA       GLN  19  -2.501   0.314   5.458
  119   1HB   GLN  19          1HB       GLN  19  -3.840   2.609   6.395
  120   2HB   GLN  19          2HB       GLN  19  -5.149   1.536   5.932
  121   1HG   GLN  19          1HG       GLN  19  -4.834   0.789   8.077
  122   2HG   GLN  19          2HG       GLN  19  -3.732  -0.303   7.248
  123   1HE2  GLN  19          1HE2      GLN  19  -2.058  -0.578   8.772
  124   2HE2  GLN  19          2HE2      GLN  19  -1.307   0.824   9.576
  125    H    TYR  20           H        TYR  20  -4.549   1.795   2.971
  126    HA   TYR  20           HA       TYR  20  -6.345  -0.349   2.422
  127   1HB   TYR  20          1HB       TYR  20  -5.106   1.881   0.935
  128   2HB   TYR  20          2HB       TYR  20  -5.713   0.648  -0.080
  129    HD1  TYR  20           HD1      TYR  20  -8.182  -0.019   0.102
  130    HD2  TYR  20           HD2      TYR  20  -6.560   3.519   1.909
  131    HE1  TYR  20           HE1      TYR  20 -10.466   0.968   0.244
  132    HE2  TYR  20           HE2      TYR  20  -8.819   4.512   2.054
  133    HH   TYR  20           HH       TYR  20 -11.722   2.717   1.053
  134    H    ALA  21           H        ALA  21  -3.015   0.200   1.209
  135    HA   ALA  21           HA       ALA  21  -2.869  -2.313  -0.209
  136   1HB   ALA  21          1HB       ALA  21  -1.138  -1.120  -0.998
  137   2HB   ALA  21          2HB       ALA  21  -1.024  -0.099   0.452
  138   3HB   ALA  21          3HB       ALA  21  -0.241  -1.690   0.415
  139    H    ALA  22           H        ALA  22  -2.486  -1.554   3.179
  140    HA   ALA  22           HA       ALA  22  -1.096  -4.034   3.893
  141   1HB   ALA  22          1HB       ALA  22  -1.344  -3.256   6.179
  142   2HB   ALA  22          2HB       ALA  22  -0.779  -1.902   5.175
  143   3HB   ALA  22          3HB       ALA  22  -2.479  -1.997   5.698
  144    H    ASP  23           H        ASP  23  -4.459  -2.749   4.357
  145    HA   ASP  23           HA       ASP  23  -5.619  -5.095   5.462
  146   1HB   ASP  23          1HB       ASP  23  -6.571  -2.627   4.076
  147   2HB   ASP  23          2HB       ASP  23  -7.582  -4.029   3.781
  148    H    LEU  24           H        LEU  24  -5.279  -4.088   2.026
  149    HA   LEU  24           HA       LEU  24  -6.386  -6.557   1.014
  150   1HB   LEU  24          1HB       LEU  24  -4.575  -4.502  -0.321
  151   2HB   LEU  24          2HB       LEU  24  -5.316  -5.876  -1.126
  152    HG   LEU  24           HG       LEU  24  -6.622  -3.351  -0.109
  153   1HD1  LEU  24          1HD1      LEU  24  -6.712  -4.966  -2.668
  154   2HD1  LEU  24          2HD1      LEU  24  -7.817  -3.623  -2.338
  155   3HD1  LEU  24          3HD1      LEU  24  -6.075  -3.328  -2.409
  156   1HD2  LEU  24          1HD2      LEU  24  -8.875  -4.344  -0.426
  157   2HD2  LEU  24          2HD2      LEU  24  -8.126  -5.957  -0.466
  158   3HD2  LEU  24          3HD2      LEU  24  -8.027  -4.941   0.992
  159    H    ARG  25           H        ARG  25  -3.028  -5.665   1.825
  160    HA   ARG  25           HA       ARG  25  -1.825  -8.134   0.999
  161   1HB   ARG  25          1HB       ARG  25  -1.117  -5.804   2.677
  162   2HB   ARG  25          2HB       ARG  25  -0.422  -7.231   3.290
  163   1HG   ARG  25          1HG       ARG  25  -0.088  -6.899   0.329
  164   2HG   ARG  25          2HG       ARG  25   0.628  -5.641   1.327
  165   1HD   ARG  25          1HD       ARG  25   2.392  -7.034   1.302
  166   2HD   ARG  25          2HD       ARG  25   1.597  -7.685   2.738
  167    HE   ARG  25           HE       ARG  25   0.557  -9.208   0.679
  168   1HH1  ARG  25          1HH1      ARG  25   3.808  -8.523   1.742
  169   2HH1  ARG  25          2HH1      ARG  25   4.528  -9.886   0.965
  170   1HH2  ARG  25          1HH2      ARG  25   1.472 -11.029  -0.330
  171   2HH2  ARG  25          2HH2      ARG  25   3.194 -11.260  -0.241
  172    H    HIS  26           H        HIS  26  -3.273  -7.214   4.126
  173    HA   HIS  26           HA       HIS  26  -2.656  -9.687   5.449
  174   1HB   HIS  26          1HB       HIS  26  -3.354  -7.472   6.528
  175   2HB   HIS  26          2HB       HIS  26  -5.005  -7.842   6.042
  176    HD2  HIS  26           HD2      HIS  26  -6.288  -9.797   7.429
  177    HE1  HIS  26           HE1      HIS  26  -3.190 -10.673  10.197
  178    H    TYR  27           H        TYR  27  -5.693  -8.544   3.862
  179    HA   TYR  27           HA       TYR  27  -7.164 -10.932   4.005
  180   1HB   TYR  27          1HB       TYR  27  -7.295  -8.454   2.484
  181   2HB   TYR  27          2HB       TYR  27  -7.639  -9.792   1.442
  182    HD1  TYR  27           HD1      TYR  27  -9.107  -7.538   3.698
  183    HD2  TYR  27           HD2      TYR  27  -9.284 -11.644   2.392
  184    HE1  TYR  27           HE1      TYR  27 -11.467  -7.700   4.491
  185    HE2  TYR  27           HE2      TYR  27 -11.630 -11.804   3.156
  186    HH   TYR  27           HH       TYR  27 -13.499 -10.403   3.724
  187    H    ILE  28           H        ILE  28  -4.995  -9.948   1.262
  188    HA   ILE  28           HA       ILE  28  -5.244 -12.395  -0.085
  189    HB   ILE  28           HB       ILE  28  -3.846 -10.046  -0.449
  190   2HG1  ILE  28          2HG1      ILE  28  -5.126 -11.535  -2.072
  191   1HG2  ILE  28          1HG2      ILE  28  -1.796 -10.831   0.561
  192   2HG2  ILE  28          2HG2      ILE  28  -1.762 -12.239  -0.524
  193   3HG2  ILE  28          3HG2      ILE  28  -1.573 -10.598  -1.163
  194   1HD1  ILE  28          1HD1      ILE  28  -4.162 -10.537  -3.980
  195   2HD1  ILE  28          2HD1      ILE  28  -3.882  -9.388  -2.661
  196   3HD1  ILE  28          3HD1      ILE  28  -2.557 -10.427  -3.226
  197    H    ASN  29           H        ASN  29  -2.881 -11.571   2.440
  198    HA   ASN  29           HA       ASN  29  -1.537 -14.110   2.419
  199   1HB   ASN  29          1HB       ASN  29  -1.552 -11.724   4.118
  200   2HB   ASN  29          2HB       ASN  29  -1.440 -13.167   5.078
  201   1HD2  ASN  29          1HD2      ASN  29   0.399 -10.942   3.402
  202   2HD2  ASN  29          2HD2      ASN  29   1.859 -11.966   3.337
  203    H    LEU  30           H        LEU  30  -4.487 -13.047   4.067
  204    HA   LEU  30           HA       LEU  30  -4.817 -15.431   5.656
  205   1HB   LEU  30          1HB       LEU  30  -6.314 -12.928   5.085
  206   2HB   LEU  30          2HB       LEU  30  -7.373 -14.306   5.279
  207    HG   LEU  30           HG       LEU  30  -5.238 -13.475   7.288
  208   1HD1  LEU  30          1HD1      LEU  30  -6.951 -12.478   8.581
  209   2HD1  LEU  30          2HD1      LEU  30  -7.256 -11.893   6.945
  210   3HD1  LEU  30          3HD1      LEU  30  -8.252 -13.198   7.610
  211   1HD2  LEU  30          1HD2      LEU  30  -5.771 -15.881   7.481
  212   2HD2  LEU  30          2HD2      LEU  30  -6.533 -15.012   8.818
  213   3HD2  LEU  30          3HD2      LEU  30  -7.504 -15.530   7.418
  214    H    ILE  31           H        ILE  31  -6.247 -14.321   2.597
  215    HA   ILE  31           HA       ILE  31  -7.701 -16.755   2.085
  216    HB   ILE  31           HB       ILE  31  -6.753 -14.615   0.154
  217   2HG1  ILE  31          2HG1      ILE  31  -9.214 -13.899   0.238
  218   1HG2  ILE  31          1HG2      ILE  31  -8.473 -15.448  -1.390
  219   2HG2  ILE  31          2HG2      ILE  31  -7.391 -16.776  -0.992
  220   3HG2  ILE  31          3HG2      ILE  31  -8.984 -16.681  -0.218
  221   1HD1  ILE  31          1HD1      ILE  31  -9.181 -15.118   3.015
  222   2HD1  ILE  31          2HD1      ILE  31 -10.496 -14.246   2.224
  223   3HD1  ILE  31          3HD1      ILE  31 -10.053 -15.875   1.678
  224    H    THR  32           H        THR  32  -4.530 -15.633   0.669
  225    HA   THR  32           HA       THR  32  -4.063 -17.928  -0.876
  226    HB   THR  32           HB       THR  32  -2.714 -15.742  -0.750
  227    HG1  THR  32           HG1      THR  32  -0.816 -16.953  -1.366
  228   1HG2  THR  32          1HG2      THR  32  -1.957 -16.031   1.637
  229   2HG2  THR  32          2HG2      THR  32  -0.933 -17.370   1.110
  230   3HG2  THR  32          3HG2      THR  32  -0.650 -15.731   0.486
  231    H    ARG  33           H        ARG  33  -3.335 -17.460   2.591
  232    HA   ARG  33           HA       ARG  33  -2.342 -20.202   2.833
  233   1HB   ARG  33          1HB       ARG  33  -1.498 -18.027   4.031
  234   2HB   ARG  33          2HB       ARG  33  -2.810 -18.337   5.162
  235   1HG   ARG  33          1HG       ARG  33  -1.832 -20.640   5.554
  236   2HG   ARG  33          2HG       ARG  33  -0.607 -20.282   4.343
  237   1HD   ARG  33          1HD       ARG  33  -0.082 -18.214   5.910
  238   2HD   ARG  33          2HD       ARG  33  -0.912 -19.212   7.126
  239    HE   ARG  33           HE       ARG  33   1.136 -20.614   5.578
  240   1HH1  ARG  33          1HH1      ARG  33   0.715 -18.683   8.447
  241   2HH1  ARG  33          2HH1      ARG  33   2.248 -19.158   9.134
  242   1HH2  ARG  33          1HH2      ARG  33   3.054 -21.298   6.525
  243   2HH2  ARG  33          2HH2      ARG  33   3.587 -20.538   7.990
  244    H    GLN  34           H        GLN  34  -5.275 -19.444   2.245
  245    HA   GLN  34           HA       GLN  34  -6.474 -21.632   3.774
  246   1HB   GLN  34          1HB       GLN  34  -6.557 -19.436   5.117
  247   2HB   GLN  34          2HB       GLN  34  -7.717 -18.858   3.916
  248   1HG   GLN  34          1HG       GLN  34  -9.395 -20.185   4.739
  249   2HG   GLN  34          2HG       GLN  34  -8.321 -21.557   5.019
  250   1HE2  GLN  34          1HE2      GLN  34  -7.974 -22.074   7.152
  251   2HE2  GLN  34          2HE2      GLN  34  -8.126 -20.861   8.445
  252    H    ARG  35           H        ARG  35  -5.916 -21.124   0.909
  253    HA   ARG  35           HA       ARG  35  -8.707 -21.343  -0.124
  254   1HB   ARG  35          1HB       ARG  35  -7.330 -19.159  -0.655
  255   2HB   ARG  35          2HB       ARG  35  -6.499 -20.148  -1.815
  256   1HG   ARG  35          1HG       ARG  35  -9.249 -20.654  -2.298
  257   2HG   ARG  35          2HG       ARG  35  -9.231 -18.980  -1.715
  258   1HD   ARG  35          1HD       ARG  35  -7.292 -18.666  -3.469
  259   2HD   ARG  35          2HD       ARG  35  -7.923 -20.193  -4.147
  260    HE   ARG  35           HE       ARG  35 -10.019 -18.277  -3.726
  261   1HH1  ARG  35          1HH1      ARG  35  -7.451 -19.036  -5.979
  262   2HH1  ARG  35          2HH1      ARG  35  -8.194 -18.164  -7.300
  263   1HH2  ARG  35          1HH2      ARG  35 -10.934 -17.182  -5.427
  264   2HH2  ARG  35          2HH2      ARG  35 -10.136 -17.123  -6.977
  265    H    TYR  36           H        TYR  36  -7.184 -21.776  -2.765
  266    HA   TYR  36           HA       TYR  36  -7.418 -24.251  -3.577
  267   1HB   TYR  36          1HB       TYR  36  -5.405 -23.946  -4.971
  268   2HB   TYR  36          2HB       TYR  36  -6.496 -22.581  -4.968
  269    HD1  TYR  36           HD1      TYR  36  -5.823 -20.411  -4.021
  270    HD2  TYR  36           HD2      TYR  36  -3.110 -23.736  -4.006
  271    HE1  TYR  36           HE1      TYR  36  -4.006 -18.893  -3.283
  272    HE2  TYR  36           HE2      TYR  36  -1.268 -22.213  -3.317
  273    HH   TYR  36           HH       TYR  36  -1.776 -18.858  -2.319
  274   1HN   NH2  37          1HN       NH2  37  -7.389 -25.746  -1.707
  275   2HN   NH2  37          2HN       NH2  37  -5.781 -26.346  -1.247
  Start of MODEL   15
    1   1H    TYR   1          1H        TYR   1  23.186  12.852 -14.156
    2   2H    TYR   1          2H        TYR   1  21.605  13.285 -14.336
    3   3H    TYR   1          3H        TYR   1  22.026  12.122 -13.242
    4    HA   TYR   1           HA       TYR   1  21.035  11.474 -15.535
    5   1HB   TYR   1          1HB       TYR   1  23.997  11.910 -16.088
    6   2HB   TYR   1          2HB       TYR   1  22.888  11.033 -17.147
    7    HD1  TYR   1           HD1      TYR   1  20.902  12.248 -18.169
    8    HD2  TYR   1           HD2      TYR   1  24.157  14.311 -16.194
    9    HE1  TYR   1           HE1      TYR   1  20.237  14.359 -19.280
   10    HE2  TYR   1           HE2      TYR   1  23.465  16.436 -17.318
   11    HH   TYR   1           HH       TYR   1  20.887  16.532 -19.736
   12    HA   PRO   2           HA       PRO   2  22.626   8.115 -12.833
   13   1HB   PRO   2          1HB       PRO   2  20.174   7.010 -12.160
   14   2HB   PRO   2          2HB       PRO   2  21.004   8.292 -11.253
   15   1HG   PRO   2          1HG       PRO   2  18.639   8.523 -13.058
   16   2HG   PRO   2          2HG       PRO   2  19.131   9.553 -11.685
   17   1HD   PRO   2          1HD       PRO   2  19.511  10.084 -14.457
   18   2HD   PRO   2          2HD       PRO   2  20.210  10.990 -13.083
   19    H    SER   3           H        SER   3  19.699   7.580 -14.797
   20    HA   SER   3           HA       SER   3  20.986   6.031 -16.841
   21   1HB   SER   3          1HB       SER   3  21.050   4.325 -14.997
   22   2HB   SER   3          2HB       SER   3  19.277   4.391 -14.909
   23    HG   SER   3           HG       SER   3  20.556   2.811 -16.404
   24    H    LYS   4           H        LYS   4  17.905   6.153 -15.054
   25    HA   LYS   4           HA       LYS   4  16.375   6.891 -17.525
   26   1HB   LYS   4          1HB       LYS   4  15.700   4.945 -15.295
   27   2HB   LYS   4          2HB       LYS   4  14.525   5.525 -16.477
   28   1HG   LYS   4          1HG       LYS   4  15.424   4.355 -18.233
   29   2HG   LYS   4          2HG       LYS   4  17.063   4.321 -17.588
   30   1HD   LYS   4          1HD       LYS   4  16.645   2.533 -16.130
   31   2HD   LYS   4          2HD       LYS   4  14.897   2.805 -16.139
   32   1HE   LYS   4          1HE       LYS   4  15.106   0.902 -17.448
   33   2HE   LYS   4          2HE       LYS   4  14.920   2.204 -18.622
   34   1HZ   LYS   4          1HZ       LYS   4  16.688   0.719 -19.280
   35   2HZ   LYS   4          2HZ       LYS   4  17.381   2.162 -18.873
   36   3HZ   LYS   4          3HZ       LYS   4  17.463   0.895 -17.838
   37    HA   PRO   5           HA       PRO   5  15.730  10.081 -14.183
   38   1HB   PRO   5          1HB       PRO   5  16.463  12.321 -15.618
   39   2HB   PRO   5          2HB       PRO   5  17.585  11.311 -14.685
   40   1HG   PRO   5          1HG       PRO   5  17.167  11.399 -17.657
   41   2HG   PRO   5          2HG       PRO   5  18.655  11.053 -16.726
   42   1HD   PRO   5          1HD       PRO   5  16.931   9.148 -17.924
   43   2HD   PRO   5          2HD       PRO   5  18.210   8.825 -16.723
   44    H    ASP   6           H        ASP   6  13.599   9.133 -14.732
   45    HA   ASP   6           HA       ASP   6  11.800  11.253 -15.539
   46   1HB   ASP   6          1HB       ASP   6  12.648   9.547 -17.630
   47   2HB   ASP   6          2HB       ASP   6  11.114   8.861 -17.174
   48    H    ASN   7           H        ASN   7  10.941  11.060 -13.445
   49    HA   ASN   7           HA       ASN   7   8.977   8.971 -13.172
   50   1HB   ASN   7          1HB       ASN   7  11.426   8.240 -12.144
   51   2HB   ASN   7          2HB       ASN   7  10.715   9.012 -10.732
   52   1HD2  ASN   7          1HD2      ASN   7  10.614   6.269 -12.905
   53   2HD2  ASN   7          2HD2      ASN   7   9.407   5.398 -11.946
   54    HA   PRO   8           HA       PRO   8   7.402  12.615 -10.985
   55   1HB   PRO   8          1HB       PRO   8   4.945  11.588 -10.198
   56   2HB   PRO   8          2HB       PRO   8   5.304  12.286 -11.801
   57   1HG   PRO   8          1HG       PRO   8   4.969   9.425 -11.047
   58   2HG   PRO   8          2HG       PRO   8   4.727  10.223 -12.629
   59   1HD   PRO   8          1HD       PRO   8   6.981   8.699 -11.779
   60   2HD   PRO   8          2HD       PRO   8   6.843   9.662 -13.279
   61    H    GLY   9           H        GLY   9   7.545  13.253  -8.891
   62   1HA   GLY   9          1HA       GLY   9   7.642  11.226  -6.708
   63   2HA   GLY   9          2HA       GLY   9   8.849  12.520  -6.820
   64    H    GLU  10           H        GLU  10   8.335  14.048  -5.364
   65    HA   GLU  10           HA       GLU  10   7.275  15.519  -4.030
   66   1HB   GLU  10          1HB       GLU  10   5.365  15.533  -6.376
   67   2HB   GLU  10          2HB       GLU  10   4.960  16.374  -4.898
   68   1HG   GLU  10          1HG       GLU  10   6.036  17.846  -6.544
   69   2HG   GLU  10          2HG       GLU  10   6.924  17.760  -5.023
   70    H    ASP  11           H        ASP  11   6.652  14.923  -2.094
   71    HA   ASP  11           HA       ASP  11   5.711  13.672  -0.411
   72   1HB   ASP  11          1HB       ASP  11   3.179  13.829  -0.357
   73   2HB   ASP  11          2HB       ASP  11   4.142  15.286  -0.321
   74    H    ALA  12           H        ALA  12   6.693  11.681  -0.909
   75    HA   ALA  12           HA       ALA  12   5.754   9.771  -2.644
   76   1HB   ALA  12          1HB       ALA  12   7.215   9.424  -0.002
   77   2HB   ALA  12          2HB       ALA  12   6.948   8.102  -1.154
   78   3HB   ALA  12          3HB       ALA  12   7.912   9.500  -1.646
   79    HA   PRO  13           HA       PRO  13   1.913   8.435  -1.047
   80   1HB   PRO  13          1HB       PRO  13   1.671   5.894  -2.139
   81   2HB   PRO  13          2HB       PRO  13   1.434   7.432  -3.019
   82   1HG   PRO  13          1HG       PRO  13   3.783   5.574  -3.078
   83   2HG   PRO  13          2HG       PRO  13   3.152   6.650  -4.363
   84   1HD   PRO  13          1HD       PRO  13   5.364   7.155  -2.699
   85   2HD   PRO  13          2HD       PRO  13   4.494   8.370  -3.678
   86    H    ALA  14           H        ALA  14   1.621   8.049   1.038
   87    HA   ALA  14           HA       ALA  14   2.061   5.450   2.214
   88   1HB   ALA  14          1HB       ALA  14   3.964   5.709   3.394
   89   2HB   ALA  14          2HB       ALA  14   4.358   6.961   2.217
   90   3HB   ALA  14          3HB       ALA  14   3.675   7.416   3.771
   91    H    GLU  15           H        GLU  15  -0.359   6.865   1.948
   92    HA   GLU  15           HA       GLU  15  -0.943   7.798   4.701
   93   1HB   GLU  15          1HB       GLU  15  -0.868   9.509   2.706
   94   2HB   GLU  15          2HB       GLU  15  -2.422   8.804   2.277
   95   1HG   GLU  15          1HG       GLU  15  -2.602   9.207   5.074
   96   2HG   GLU  15          2HG       GLU  15  -1.623  10.574   4.542
   97    H    ASP  16           H        ASP  16  -3.776   7.948   3.434
   98    HA   ASP  16           HA       ASP  16  -5.036   5.711   4.596
   99   1HB   ASP  16          1HB       ASP  16  -5.786   7.532   2.283
  100   2HB   ASP  16          2HB       ASP  16  -6.781   6.125   2.640
  101    H    LEU  17           H        LEU  17  -3.841   6.035   1.258
  102    HA   LEU  17           HA       LEU  17  -4.466   3.463   0.286
  103   1HB   LEU  17          1HB       LEU  17  -3.642   5.099  -1.204
  104   2HB   LEU  17          2HB       LEU  17  -2.122   5.306  -0.326
  105    HG   LEU  17           HG       LEU  17  -2.916   2.695  -1.703
  106   1HD1  LEU  17          1HD1      LEU  17  -0.943   4.629  -2.907
  107   2HD1  LEU  17          2HD1      LEU  17  -1.861   3.313  -3.662
  108   3HD1  LEU  17          3HD1      LEU  17  -2.674   4.825  -3.221
  109   1HD2  LEU  17          1HD2      LEU  17  -0.232   2.622  -1.842
  110   2HD2  LEU  17          2HD2      LEU  17  -0.353   3.680  -0.429
  111   3HD2  LEU  17          3HD2      LEU  17  -1.050   2.056  -0.419
  112    H    ALA  18           H        ALA  18  -1.658   4.442   2.347
  113    HA   ALA  18           HA       ALA  18  -0.233   1.980   2.055
  114   1HB   ALA  18          1HB       ALA  18   1.213   2.870   3.597
  115   2HB   ALA  18          2HB       ALA  18   0.353   4.362   3.192
  116   3HB   ALA  18          3HB       ALA  18  -0.083   3.470   4.653
  117    H    GLN  19           H        GLN  19  -2.800   3.059   4.246
  118    HA   GLN  19           HA       GLN  19  -2.921   0.662   5.841
  119   1HB   GLN  19          1HB       GLN  19  -3.931   3.141   6.164
  120   2HB   GLN  19          2HB       GLN  19  -5.337   2.419   5.392
  121   1HG   GLN  19          1HG       GLN  19  -5.935   1.660   7.429
  122   2HG   GLN  19          2HG       GLN  19  -4.625   0.490   7.314
  123   1HE2  GLN  19          1HE2      GLN  19  -5.586   3.669   8.663
  124   2HE2  GLN  19          2HE2      GLN  19  -4.223   3.679   9.804
  125    H    TYR  20           H        TYR  20  -4.773   1.807   2.987
  126    HA   TYR  20           HA       TYR  20  -6.556  -0.400   2.707
  127   1HB   TYR  20          1HB       TYR  20  -6.785   1.775   1.563
  128   2HB   TYR  20          2HB       TYR  20  -5.340   1.460   0.634
  129    HD1  TYR  20           HD1      TYR  20  -5.326   0.122  -1.338
  130    HD2  TYR  20           HD2      TYR  20  -8.831   0.334   1.168
  131    HE1  TYR  20           HE1      TYR  20  -6.696  -0.940  -3.146
  132    HE2  TYR  20           HE2      TYR  20 -10.188  -0.718  -0.628
  133    HH   TYR  20           HH       TYR  20 -10.204  -1.319  -2.910
  134    H    ALA  21           H        ALA  21  -3.446   0.208   1.095
  135    HA   ALA  21           HA       ALA  21  -3.208  -2.249  -0.316
  136   1HB   ALA  21          1HB       ALA  21  -0.826  -1.658  -0.487
  137   2HB   ALA  21          2HB       ALA  21  -1.855  -0.249  -0.808
  138   3HB   ALA  21          3HB       ALA  21  -1.034  -0.410   0.766
  139    H    ALA  22           H        ALA  22  -2.584  -1.430   3.057
  140    HA   ALA  22           HA       ALA  22  -1.178  -3.877   3.734
  141   1HB   ALA  22          1HB       ALA  22  -2.624  -2.236   5.814
  142   2HB   ALA  22          2HB       ALA  22  -1.079  -3.090   5.898
  143   3HB   ALA  22          3HB       ALA  22  -1.187  -1.564   5.031
  144    H    ASP  23           H        ASP  23  -4.547  -2.664   4.322
  145    HA   ASP  23           HA       ASP  23  -5.635  -5.004   5.451
  146   1HB   ASP  23          1HB       ASP  23  -6.761  -2.777   5.256
  147   2HB   ASP  23          2HB       ASP  23  -6.974  -3.053   3.530
  148    H    LEU  24           H        LEU  24  -5.336  -4.086   2.000
  149    HA   LEU  24           HA       LEU  24  -6.399  -6.595   1.036
  150   1HB   LEU  24          1HB       LEU  24  -4.613  -4.584  -0.385
  151   2HB   LEU  24          2HB       LEU  24  -5.419  -5.949  -1.136
  152    HG   LEU  24           HG       LEU  24  -6.563  -3.340  -0.198
  153   1HD1  LEU  24          1HD1      LEU  24  -6.027  -3.963  -2.595
  154   2HD1  LEU  24          2HD1      LEU  24  -7.358  -5.149  -2.498
  155   3HD1  LEU  24          3HD1      LEU  24  -7.685  -3.424  -2.293
  156   1HD2  LEU  24          1HD2      LEU  24  -8.889  -4.240  -0.298
  157   2HD2  LEU  24          2HD2      LEU  24  -8.228  -5.891  -0.264
  158   3HD2  LEU  24          3HD2      LEU  24  -7.997  -4.787   1.121
  159    H    ARG  25           H        ARG  25  -3.030  -5.581   1.687
  160    HA   ARG  25           HA       ARG  25  -1.755  -8.023   0.886
  161   1HB   ARG  25          1HB       ARG  25  -1.080  -5.601   2.436
  162   2HB   ARG  25          2HB       ARG  25  -0.319  -6.972   3.107
  163   1HG   ARG  25          1HG       ARG  25  -0.144  -6.661   0.100
  164   2HG   ARG  25          2HG       ARG  25   0.716  -5.506   1.091
  165   1HD   ARG  25          1HD       ARG  25   2.409  -6.967   1.245
  166   2HD   ARG  25          2HD       ARG  25   1.413  -7.901   2.336
  167    HE   ARG  25           HE       ARG  25   1.016  -9.473   0.680
  168   1HH1  ARG  25          1HH1      ARG  25   2.571  -6.726  -0.775
  169   2HH1  ARG  25          2HH1      ARG  25   2.899  -7.526  -2.289
  170   1HH2  ARG  25          1HH2      ARG  25   1.470 -10.526  -1.273
  171   2HH2  ARG  25          2HH2      ARG  25   2.244  -9.644  -2.552
  172    H    HIS  26           H        HIS  26  -3.326  -7.130   3.922
  173    HA   HIS  26           HA       HIS  26  -2.522  -9.502   5.366
  174   1HB   HIS  26          1HB       HIS  26  -3.197  -7.254   6.357
  175   2HB   HIS  26          2HB       HIS  26  -4.867  -7.644   5.931
  176    HD2  HIS  26           HD2      HIS  26  -6.196  -8.993   7.762
  177    HE1  HIS  26           HE1      HIS  26  -2.935 -10.471  10.057
  178    H    TYR  27           H        TYR  27  -5.635  -8.481   3.854
  179    HA   TYR  27           HA       TYR  27  -7.062 -10.892   4.139
  180   1HB   TYR  27          1HB       TYR  27  -7.351  -8.440   2.648
  181   2HB   TYR  27          2HB       TYR  27  -7.603  -9.756   1.537
  182    HD1  TYR  27           HD1      TYR  27  -8.565  -8.745   5.035
  183    HD2  TYR  27           HD2      TYR  27  -9.771 -10.594   1.333
  184    HE1  TYR  27           HE1      TYR  27 -10.916  -8.885   5.864
  185    HE2  TYR  27           HE2      TYR  27 -12.120 -10.714   2.147
  186    HH   TYR  27           HH       TYR  27 -13.569  -9.925   3.740
  187    H    ILE  28           H        ILE  28  -4.998  -9.933   1.296
  188    HA   ILE  28           HA       ILE  28  -5.264 -12.396  -0.017
  189    HB   ILE  28           HB       ILE  28  -3.890 -10.067  -0.453
  190   2HG1  ILE  28          2HG1      ILE  28  -5.136 -11.553  -2.038
  191   1HG2  ILE  28          1HG2      ILE  28  -1.763 -12.228  -0.436
  192   2HG2  ILE  28          2HG2      ILE  28  -1.589 -10.606  -1.128
  193   3HG2  ILE  28          3HG2      ILE  28  -1.830 -10.784   0.601
  194   1HD1  ILE  28          1HD1      ILE  28  -2.756 -11.005  -3.635
  195   2HD1  ILE  28          2HD1      ILE  28  -4.370 -10.261  -3.699
  196   3HD1  ILE  28          3HD1      ILE  28  -3.155  -9.626  -2.586
  197    H    ASN  29           H        ASN  29  -2.891 -11.541   2.469
  198    HA   ASN  29           HA       ASN  29  -1.524 -14.056   2.492
  199   1HB   ASN  29          1HB       ASN  29  -1.546 -11.638   4.109
  200   2HB   ASN  29          2HB       ASN  29  -1.530 -13.028   5.157
  201   1HD2  ASN  29          1HD2      ASN  29   0.501 -10.925   3.605
  202   2HD2  ASN  29          2HD2      ASN  29   1.894 -12.036   3.565
  203    H    LEU  30           H        LEU  30  -4.465 -12.998   4.191
  204    HA   LEU  30           HA       LEU  30  -4.870 -15.477   5.640
  205   1HB   LEU  30          1HB       LEU  30  -6.278 -12.901   5.179
  206   2HB   LEU  30          2HB       LEU  30  -7.323 -14.249   5.551
  207    HG   LEU  30           HG       LEU  30  -4.854 -13.938   7.271
  208   1HD1  LEU  30          1HD1      LEU  30  -5.985 -12.273   8.683
  209   2HD1  LEU  30          2HD1      LEU  30  -5.537 -11.663   7.086
  210   3HD1  LEU  30          3HD1      LEU  30  -7.240 -12.069   7.436
  211   1HD2  LEU  30          1HD2      LEU  30  -6.283 -15.773   7.825
  212   2HD2  LEU  30          2HD2      LEU  30  -6.625 -14.519   9.034
  213   3HD2  LEU  30          3HD2      LEU  30  -7.754 -14.783   7.695
  214    H    ILE  31           H        ILE  31  -5.849 -14.369   2.451
  215    HA   ILE  31           HA       ILE  31  -7.536 -16.713   1.960
  216    HB   ILE  31           HB       ILE  31  -6.521 -14.471   0.182
  217   2HG1  ILE  31          2HG1      ILE  31  -8.793 -13.582   0.259
  218   1HG2  ILE  31          1HG2      ILE  31  -8.761 -15.440  -1.127
  219   2HG2  ILE  31          2HG2      ILE  31  -7.087 -15.803  -1.561
  220   3HG2  ILE  31          3HG2      ILE  31  -8.025 -16.932  -0.552
  221   1HD1  ILE  31          1HD1      ILE  31  -9.510 -15.241   2.659
  222   2HD1  ILE  31          2HD1      ILE  31 -10.556 -14.351   1.537
  223   3HD1  ILE  31          3HD1      ILE  31  -9.872 -15.916   1.050
  224    H    THR  32           H        THR  32  -4.184 -15.788   1.238
  225    HA   THR  32           HA       THR  32  -3.664 -18.160  -0.344
  226    HB   THR  32           HB       THR  32  -2.428 -15.834  -0.295
  227    HG1  THR  32           HG1      THR  32  -2.075 -17.343  -1.756
  228   1HG2  THR  32          1HG2      THR  32  -1.435 -16.193   2.043
  229   2HG2  THR  32          2HG2      THR  32  -0.426 -17.448   1.323
  230   3HG2  THR  32          3HG2      THR  32  -0.312 -15.769   0.760
  231    H    ARG  33           H        ARG  33  -3.110 -17.324   3.096
  232    HA   ARG  33           HA       ARG  33  -1.835 -19.811   3.731
  233   1HB   ARG  33          1HB       ARG  33  -1.904 -19.115   5.991
  234   2HB   ARG  33          2HB       ARG  33  -1.773 -17.636   5.072
  235   1HG   ARG  33          1HG       ARG  33  -3.421 -17.035   6.562
  236   2HG   ARG  33          2HG       ARG  33  -4.404 -17.612   5.226
  237   1HD   ARG  33          1HD       ARG  33  -5.309 -19.272   6.429
  238   2HD   ARG  33          2HD       ARG  33  -3.740 -19.800   7.054
  239    HE   ARG  33           HE       ARG  33  -4.225 -17.517   8.475
  240   1HH1  ARG  33          1HH1      ARG  33  -6.027 -20.471   8.058
  241   2HH1  ARG  33          2HH1      ARG  33  -6.699 -20.434   9.668
  242   1HH2  ARG  33          1HH2      ARG  33  -5.096 -17.486  10.538
  243   2HH2  ARG  33          2HH2      ARG  33  -6.134 -18.772  11.059
  244    H    GLN  34           H        GLN  34  -4.920 -19.220   2.921
  245    HA   GLN  34           HA       GLN  34  -6.278 -21.279   4.517
  246   1HB   GLN  34          1HB       GLN  34  -7.382 -19.166   3.470
  247   2HB   GLN  34          2HB       GLN  34  -7.346 -20.063   1.941
  248   1HG   GLN  34          1HG       GLN  34  -8.527 -21.969   3.222
  249   2HG   GLN  34          2HG       GLN  34  -8.763 -20.815   4.532
  250   1HE2  GLN  34          1HE2      GLN  34 -10.536 -22.306   2.419
  251   2HE2  GLN  34          2HE2      GLN  34 -11.561 -20.969   1.853
  252    H    ARG  35           H        ARG  35  -4.793 -21.052   1.309
  253    HA   ARG  35           HA       ARG  35  -5.742 -23.732   0.556
  254   1HB   ARG  35          1HB       ARG  35  -5.544 -21.617  -0.972
  255   2HB   ARG  35          2HB       ARG  35  -3.837 -21.992  -1.066
  256   1HG   ARG  35          1HG       ARG  35  -4.257 -23.601  -2.604
  257   2HG   ARG  35          2HG       ARG  35  -5.330 -24.460  -1.512
  258   1HD   ARG  35          1HD       ARG  35  -7.230 -23.120  -2.189
  259   2HD   ARG  35          2HD       ARG  35  -6.220 -22.080  -3.193
  260    HE   ARG  35           HE       ARG  35  -7.249 -24.705  -3.882
  261   1HH1  ARG  35          1HH1      ARG  35  -4.515 -22.604  -4.579
  262   2HH1  ARG  35          2HH1      ARG  35  -4.063 -23.513  -6.003
  263   1HH2  ARG  35          1HH2      ARG  35  -6.816 -25.626  -5.866
  264   2HH2  ARG  35          2HH2      ARG  35  -5.430 -25.039  -6.772
  265    H    TYR  36           H        TYR  36  -2.957 -23.818  -0.911
  266    HA   TYR  36           HA       TYR  36  -1.535 -25.778   0.428
  267   1HB   TYR  36          1HB       TYR  36   0.370 -24.985  -0.941
  268   2HB   TYR  36          2HB       TYR  36  -1.115 -25.120  -1.868
  269    HD1  TYR  36           HD1      TYR  36  -2.128 -23.162  -2.915
  270    HD2  TYR  36           HD2      TYR  36   1.288 -22.729  -0.332
  271    HE1  TYR  36           HE1      TYR  36  -1.975 -20.746  -3.523
  272    HE2  TYR  36           HE2      TYR  36   1.467 -20.334  -0.987
  273    HH   TYR  36           HH       TYR  36  -0.440 -18.495  -1.887
  274   1HN   NH2  37          1HN       NH2  37  -1.387 -22.200   1.140
  275   2HN   NH2  37          2HN       NH2  37  -0.339 -22.490   2.530
  Start of MODEL   16
    1   1H    TYR   1          1H        TYR   1 -19.978   8.495  18.400
    2   2H    TYR   1          2H        TYR   1 -19.903   8.254  16.771
    3   3H    TYR   1          3H        TYR   1 -18.524   8.245  17.664
    4    HA   TYR   1           HA       TYR   1 -18.590  10.312  16.553
    5   1HB   TYR   1          1HB       TYR   1 -21.428  10.434  17.631
    6   2HB   TYR   1          2HB       TYR   1 -20.573  11.826  16.968
    7    HD1  TYR   1           HD1      TYR   1 -22.261   8.635  16.122
    8    HD2  TYR   1           HD2      TYR   1 -19.998  11.994  14.607
    9    HE1  TYR   1           HE1      TYR   1 -22.839   7.982  13.812
   10    HE2  TYR   1           HE2      TYR   1 -20.592  11.320  12.279
   11    HH   TYR   1           HH       TYR   1 -22.410   8.380  11.536
   12    HA   PRO   2           HA       PRO   2 -17.350  11.149  20.893
   13   1HB   PRO   2          1HB       PRO   2 -14.719  11.877  20.349
   14   2HB   PRO   2          2HB       PRO   2 -15.288  10.229  20.703
   15   1HG   PRO   2          1HG       PRO   2 -14.500  11.408  18.077
   16   2HG   PRO   2          2HG       PRO   2 -14.479   9.703  18.613
   17   1HD   PRO   2          1HD       PRO   2 -16.428  10.946  16.964
   18   2HD   PRO   2          2HD       PRO   2 -16.552   9.339  17.725
   19    H    SER   3           H        SER   3 -16.319  13.088  18.131
   20    HA   SER   3           HA       SER   3 -17.728  15.413  18.424
   21   1HB   SER   3          1HB       SER   3 -15.455  15.435  20.355
   22   2HB   SER   3          2HB       SER   3 -15.561  16.842  19.300
   23    HG   SER   3           HG       SER   3 -16.864  17.306  20.981
   24    H    LYS   4           H        LYS   4 -14.509  14.135  17.703
   25    HA   LYS   4           HA       LYS   4 -14.530  15.577  15.077
   26   1HB   LYS   4          1HB       LYS   4 -12.505  15.595  17.220
   27   2HB   LYS   4          2HB       LYS   4 -11.831  15.144  15.653
   28   1HG   LYS   4          1HG       LYS   4 -12.665  17.152  14.592
   29   2HG   LYS   4          2HG       LYS   4 -13.621  17.567  16.020
   30   1HD   LYS   4          1HD       LYS   4 -11.267  17.541  17.244
   31   2HD   LYS   4          2HD       LYS   4 -10.620  17.779  15.620
   32   1HE   LYS   4          1HE       LYS   4 -12.920  19.473  16.655
   33   2HE   LYS   4          2HE       LYS   4 -11.284  19.837  17.209
   34   1HZ   LYS   4          1HZ       LYS   4 -10.610  20.403  15.078
   35   2HZ   LYS   4          2HZ       LYS   4 -11.881  19.654  14.336
   36   3HZ   LYS   4          3HZ       LYS   4 -12.116  21.050  15.177
   37    HA   PRO   5           HA       PRO   5 -14.384  11.059  14.286
   38   1HB   PRO   5          1HB       PRO   5 -16.336  11.038  12.319
   39   2HB   PRO   5          2HB       PRO   5 -16.639  10.786  14.053
   40   1HG   PRO   5          1HG       PRO   5 -17.212  13.194  12.400
   41   2HG   PRO   5          2HG       PRO   5 -17.988  12.635  13.905
   42   1HD   PRO   5          1HD       PRO   5 -16.028  14.673  13.643
   43   2HD   PRO   5          2HD       PRO   5 -16.645  13.964  15.155
   44    H    ASP   6           H        ASP   6 -12.865  10.368  12.904
   45    HA   ASP   6           HA       ASP   6 -11.705  12.088  10.925
   46   1HB   ASP   6          1HB       ASP   6 -11.307   9.095  10.971
   47   2HB   ASP   6          2HB       ASP   6 -10.160  10.360  10.555
   48    H    ASN   7           H        ASN   7 -11.976  12.123   8.664
   49    HA   ASN   7           HA       ASN   7 -13.564  10.034   7.398
   50   1HB   ASN   7          1HB       ASN   7 -15.194  11.519   6.452
   51   2HB   ASN   7          2HB       ASN   7 -15.225  11.699   8.199
   52   1HD2  ASN   7          1HD2      ASN   7 -16.088  13.516   5.918
   53   2HD2  ASN   7          2HD2      ASN   7 -15.223  15.013   6.289
   54    HA   PRO   8           HA       PRO   8 -10.706  11.040   4.126
   55   1HB   PRO   8          1HB       PRO   8 -12.035   9.998   1.920
   56   2HB   PRO   8          2HB       PRO   8 -11.081   9.045   3.092
   57   1HG   PRO   8          1HG       PRO   8 -14.041   9.222   2.812
   58   2HG   PRO   8          2HG       PRO   8 -13.035   7.914   3.504
   59   1HD   PRO   8          1HD       PRO   8 -14.487   9.921   4.917
   60   2HD   PRO   8          2HD       PRO   8 -13.322   8.754   5.604
   61    H    GLY   9           H        GLY   9 -10.412  12.620   2.581
   62   1HA   GLY   9          1HA       GLY   9 -12.320  14.806   2.484
   63   2HA   GLY   9          2HA       GLY   9 -10.763  14.722   1.641
   64    H    GLU  10           H        GLU  10 -10.729  13.164  -0.210
   65    HA   GLU  10           HA       GLU  10 -12.655  11.948  -1.600
   66   1HB   GLU  10          1HB       GLU  10 -13.020  14.874  -2.066
   67   2HB   GLU  10          2HB       GLU  10 -12.847  13.928  -3.533
   68   1HG   GLU  10          1HG       GLU  10 -14.609  12.317  -2.202
   69   2HG   GLU  10          2HG       GLU  10 -15.062  13.860  -1.508
   70    H    ASP  11           H        ASP  11  -9.935  14.135  -1.990
   71    HA   ASP  11           HA       ASP  11  -8.446  12.163  -3.593
   72   1HB   ASP  11          1HB       ASP  11  -9.691  14.616  -4.708
   73   2HB   ASP  11          2HB       ASP  11  -7.944  14.656  -4.867
   74    H    ALA  12           H        ALA  12  -6.771  11.970  -2.168
   75    HA   ALA  12           HA       ALA  12  -4.864  14.115  -1.923
   76   1HB   ALA  12          1HB       ALA  12  -6.150  15.019  -0.158
   77   2HB   ALA  12          2HB       ALA  12  -6.501  13.421   0.536
   78   3HB   ALA  12          3HB       ALA  12  -4.863  14.103   0.639
   79    HA   PRO  13           HA       PRO  13  -3.157   9.837  -1.626
   80   1HB   PRO  13          1HB       PRO  13  -1.127  10.165  -3.485
   81   2HB   PRO  13          2HB       PRO  13  -2.781   9.616  -3.873
   82   1HG   PRO  13          1HG       PRO  13  -1.533  12.292  -4.342
   83   2HG   PRO  13          2HG       PRO  13  -2.853  11.472  -5.231
   84   1HD   PRO  13          1HD       PRO  13  -3.094  13.506  -3.246
   85   2HD   PRO  13          2HD       PRO  13  -4.428  12.551  -3.957
   86    H    ALA  14           H        ALA  14  -1.068   9.194  -0.898
   87    HA   ALA  14           HA       ALA  14   0.988   9.296   0.079
   88   1HB   ALA  14          1HB       ALA  14   0.921  12.288   0.423
   89   2HB   ALA  14          2HB       ALA  14   2.314  11.202   0.289
   90   3HB   ALA  14          3HB       ALA  14   1.329  11.550  -1.144
   91    H    GLU  15           H        GLU  15  -1.856   9.300   1.377
   92    HA   GLU  15           HA       GLU  15  -1.094   9.060   4.054
   93   1HB   GLU  15          1HB       GLU  15  -1.711  11.710   3.253
   94   2HB   GLU  15          2HB       GLU  15  -3.245  11.103   3.845
   95   1HG   GLU  15          1HG       GLU  15  -2.365  10.748   6.040
   96   2HG   GLU  15          2HG       GLU  15  -0.704  10.695   5.463
   97    H    ASP  16           H        ASP  16  -2.791   8.023   5.035
   98    HA   ASP  16           HA       ASP  16  -4.599   6.664   5.433
   99   1HB   ASP  16          1HB       ASP  16  -5.802   8.750   4.461
  100   2HB   ASP  16          2HB       ASP  16  -6.021   7.770   3.015
  101    H    LEU  17           H        LEU  17  -3.899   6.818   1.991
  102    HA   LEU  17           HA       LEU  17  -4.548   4.200   1.126
  103   1HB   LEU  17          1HB       LEU  17  -3.961   6.021  -0.391
  104   2HB   LEU  17          2HB       LEU  17  -2.330   6.106   0.270
  105    HG   LEU  17           HG       LEU  17  -1.894   3.777  -0.632
  106   1HD1  LEU  17          1HD1      LEU  17  -3.490   3.114  -2.552
  107   2HD1  LEU  17          2HD1      LEU  17  -4.009   2.797  -0.904
  108   3HD1  LEU  17          3HD1      LEU  17  -4.680   4.188  -1.776
  109   1HD2  LEU  17          1HD2      LEU  17  -2.656   5.878  -2.672
  110   2HD2  LEU  17          2HD2      LEU  17  -1.107   5.734  -1.800
  111   3HD2  LEU  17          3HD2      LEU  17  -1.596   4.466  -2.927
  112    H    ALA  18           H        ALA  18  -1.898   5.212   3.099
  113    HA   ALA  18           HA       ALA  18  -0.192   2.876   2.996
  114   1HB   ALA  18          1HB       ALA  18   0.734   3.932   5.107
  115   2HB   ALA  18          2HB       ALA  18   0.732   4.981   3.683
  116   3HB   ALA  18          3HB       ALA  18  -0.503   5.199   4.943
  117    H    GLN  19           H        GLN  19  -2.916   2.196   3.257
  118    HA   GLN  19           HA       GLN  19  -2.757   0.262   5.399
  119   1HB   GLN  19          1HB       GLN  19  -3.909   2.506   6.247
  120   2HB   GLN  19          2HB       GLN  19  -5.301   1.874   5.363
  121   1HG   GLN  19          1HG       GLN  19  -5.012  -0.309   6.624
  122   2HG   GLN  19          2HG       GLN  19  -3.701   0.453   7.540
  123   1HE2  GLN  19          1HE2      GLN  19  -5.514  -0.488   9.199
  124   2HE2  GLN  19          2HE2      GLN  19  -6.624   0.805   9.683
  125    H    TYR  20           H        TYR  20  -4.685   1.697   2.714
  126    HA   TYR  20           HA       TYR  20  -6.506  -0.404   2.250
  127   1HB   TYR  20          1HB       TYR  20  -6.582   1.814   1.169
  128   2HB   TYR  20          2HB       TYR  20  -5.097   1.460   0.322
  129    HD1  TYR  20           HD1      TYR  20  -8.667   0.450   0.624
  130    HD2  TYR  20           HD2      TYR  20  -5.088   0.281  -1.784
  131    HE1  TYR  20           HE1      TYR  20  -9.974  -0.525  -1.265
  132    HE2  TYR  20           HE2      TYR  20  -6.394  -0.707  -3.655
  133    HH   TYR  20           HH       TYR  20  -8.458  -1.685  -4.233
  134    H    ALA  21           H        ALA  21  -3.336   0.114   0.736
  135    HA   ALA  21           HA       ALA  21  -3.248  -2.359  -0.714
  136   1HB   ALA  21          1HB       ALA  21  -0.569  -1.557  -0.055
  137   2HB   ALA  21          2HB       ALA  21  -1.447  -1.353  -1.573
  138   3HB   ALA  21          3HB       ALA  21  -1.513  -0.084  -0.337
  139    H    ALA  22           H        ALA  22  -2.556  -1.623   2.628
  140    HA   ALA  22           HA       ALA  22  -1.092  -4.065   3.272
  141   1HB   ALA  22          1HB       ALA  22  -1.759  -1.527   4.608
  142   2HB   ALA  22          2HB       ALA  22  -1.964  -2.931   5.659
  143   3HB   ALA  22          3HB       ALA  22  -0.410  -2.642   4.870
  144    H    ASP  23           H        ASP  23  -4.416  -2.790   3.946
  145    HA   ASP  23           HA       ASP  23  -5.438  -5.094   5.227
  146   1HB   ASP  23          1HB       ASP  23  -6.473  -2.598   4.319
  147   2HB   ASP  23          2HB       ASP  23  -7.423  -3.813   3.487
  148    H    LEU  24           H        LEU  24  -5.363  -4.218   1.751
  149    HA   LEU  24           HA       LEU  24  -6.505  -6.722   0.883
  150   1HB   LEU  24          1HB       LEU  24  -4.762  -4.746  -0.630
  151   2HB   LEU  24          2HB       LEU  24  -5.622  -6.098  -1.345
  152    HG   LEU  24           HG       LEU  24  -6.701  -3.480  -0.330
  153   1HD1  LEU  24          1HD1      LEU  24  -8.040  -3.640  -2.359
  154   2HD1  LEU  24          2HD1      LEU  24  -6.318  -3.867  -2.712
  155   3HD1  LEU  24          3HD1      LEU  24  -7.413  -5.269  -2.673
  156   1HD2  LEU  24          1HD2      LEU  24  -8.365  -6.021  -0.337
  157   2HD2  LEU  24          2HD2      LEU  24  -8.081  -4.907   1.023
  158   3HD2  LEU  24          3HD2      LEU  24  -9.031  -4.366  -0.354
  159    H    ARG  25           H        ARG  25  -3.106  -5.775   1.405
  160    HA   ARG  25           HA       ARG  25  -1.959  -8.304   0.625
  161   1HB   ARG  25          1HB       ARG  25  -1.092  -5.803   1.975
  162   2HB   ARG  25          2HB       ARG  25  -0.298  -7.175   2.635
  163   1HG   ARG  25          1HG       ARG  25  -0.405  -7.163  -0.358
  164   2HG   ARG  25          2HG       ARG  25   0.496  -5.835   0.365
  165   1HD   ARG  25          1HD       ARG  25   2.025  -7.213   1.438
  166   2HD   ARG  25          2HD       ARG  25   0.960  -8.628   1.392
  167    HE   ARG  25           HE       ARG  25   1.430  -8.143  -1.260
  168   1HH1  ARG  25          1HH1      ARG  25   3.530  -8.693   1.454
  169   2HH1  ARG  25          2HH1      ARG  25   4.759  -9.506   0.516
  170   1HH2  ARG  25          1HH2      ARG  25   2.988  -9.206  -2.457
  171   2HH2  ARG  25          2HH2      ARG  25   4.466  -9.731  -1.710
  172    H    HIS  26           H        HIS  26  -3.341  -7.229   3.682
  173    HA   HIS  26           HA       HIS  26  -2.493  -9.555   5.186
  174   1HB   HIS  26          1HB       HIS  26  -3.044  -7.315   6.167
  175   2HB   HIS  26          2HB       HIS  26  -4.741  -7.591   5.772
  176    HD2  HIS  26           HD2      HIS  26  -6.081  -9.429   7.280
  177    HE1  HIS  26           HE1      HIS  26  -3.003 -10.125  10.134
  178    H    TYR  27           H        TYR  27  -5.630  -8.535   3.753
  179    HA   TYR  27           HA       TYR  27  -7.140 -10.858   4.189
  180   1HB   TYR  27          1HB       TYR  27  -7.369  -8.492   2.578
  181   2HB   TYR  27          2HB       TYR  27  -7.636  -9.839   1.514
  182    HD1  TYR  27           HD1      TYR  27  -8.813  -8.130   4.596
  183    HD2  TYR  27           HD2      TYR  27  -9.625 -11.193   1.663
  184    HE1  TYR  27           HE1      TYR  27 -11.155  -8.318   5.433
  185    HE2  TYR  27           HE2      TYR  27 -11.956 -11.380   2.508
  186    HH   TYR  27           HH       TYR  27 -13.181 -10.935   4.583
  187    H    ILE  28           H        ILE  28  -5.089 -10.137   1.272
  188    HA   ILE  28           HA       ILE  28  -5.435 -12.684   0.145
  189    HB   ILE  28           HB       ILE  28  -4.090 -10.391  -0.524
  190   2HG1  ILE  28          2HG1      ILE  28  -5.331 -12.261  -1.913
  191   1HG2  ILE  28          1HG2      ILE  28  -1.815 -10.990  -1.261
  192   2HG2  ILE  28          2HG2      ILE  28  -1.972 -11.029   0.482
  193   3HG2  ILE  28          3HG2      ILE  28  -1.951 -12.548  -0.446
  194   1HD1  ILE  28          1HD1      ILE  28  -3.120 -10.481  -3.014
  195   2HD1  ILE  28          2HD1      ILE  28  -4.294 -11.368  -4.008
  196   3HD1  ILE  28          3HD1      ILE  28  -4.852 -10.120  -2.874
  197    H    ASN  29           H        ASN  29  -2.953 -11.670   2.447
  198    HA   ASN  29           HA       ASN  29  -1.502 -14.128   2.572
  199   1HB   ASN  29          1HB       ASN  29  -1.672 -11.677   4.168
  200   2HB   ASN  29          2HB       ASN  29  -1.593 -13.060   5.220
  201   1HD2  ASN  29          1HD2      ASN  29   0.360 -10.846   3.884
  202   2HD2  ASN  29          2HD2      ASN  29   1.811 -11.867   3.762
  203    H    LEU  30           H        LEU  30  -4.351 -13.071   4.483
  204    HA   LEU  30           HA       LEU  30  -4.613 -15.573   5.882
  205   1HB   LEU  30          1HB       LEU  30  -6.084 -13.025   5.620
  206   2HB   LEU  30          2HB       LEU  30  -7.175 -14.393   5.788
  207    HG   LEU  30           HG       LEU  30  -4.774 -14.119   7.632
  208   1HD1  LEU  30          1HD1      LEU  30  -6.234 -12.946   9.242
  209   2HD1  LEU  30          2HD1      LEU  30  -5.961 -12.012   7.762
  210   3HD1  LEU  30          3HD1      LEU  30  -7.514 -12.840   8.000
  211   1HD2  LEU  30          1HD2      LEU  30  -6.217 -16.263   7.482
  212   2HD2  LEU  30          2HD2      LEU  30  -6.010 -15.544   9.087
  213   3HD2  LEU  30          3HD2      LEU  30  -7.525 -15.299   8.190
  214    H    ILE  31           H        ILE  31  -6.124 -14.375   2.903
  215    HA   ILE  31           HA       ILE  31  -7.773 -16.627   2.365
  216    HB   ILE  31           HB       ILE  31  -6.505 -14.556   0.562
  217   2HG1  ILE  31          2HG1      ILE  31  -8.453 -13.324   0.697
  218   1HG2  ILE  31          1HG2      ILE  31  -8.377 -15.315  -1.092
  219   2HG2  ILE  31          2HG2      ILE  31  -6.867 -16.230  -1.015
  220   3HG2  ILE  31          3HG2      ILE  31  -8.317 -16.851  -0.188
  221   1HD1  ILE  31          1HD1      ILE  31 -10.346 -14.600   0.269
  222   2HD1  ILE  31          2HD1      ILE  31  -9.902 -15.875   1.427
  223   3HD1  ILE  31          3HD1      ILE  31 -10.517 -14.320   2.011
  224    H    THR  32           H        THR  32  -4.478 -15.913   1.029
  225    HA   THR  32           HA       THR  32  -4.207 -18.400  -0.317
  226    HB   THR  32           HB       THR  32  -2.785 -16.232  -0.470
  227    HG1  THR  32           HG1      THR  32  -2.446 -18.044  -1.768
  228   1HG2  THR  32          1HG2      THR  32  -0.658 -16.190   0.573
  229   2HG2  THR  32          2HG2      THR  32  -1.804 -16.433   1.888
  230   3HG2  THR  32          3HG2      THR  32  -0.871 -17.813   1.280
  231    H    ARG  33           H        ARG  33  -3.387 -17.523   3.037
  232    HA   ARG  33           HA       ARG  33  -2.580 -20.248   3.734
  233   1HB   ARG  33          1HB       ARG  33  -3.046 -17.748   5.425
  234   2HB   ARG  33          2HB       ARG  33  -2.523 -19.295   6.070
  235   1HG   ARG  33          1HG       ARG  33  -0.626 -19.068   4.179
  236   2HG   ARG  33          2HG       ARG  33  -0.972 -17.356   4.383
  237   1HD   ARG  33          1HD       ARG  33   0.643 -17.596   6.021
  238   2HD   ARG  33          2HD       ARG  33  -0.788 -17.941   6.979
  239    HE   ARG  33           HE       ARG  33  -0.163 -20.190   7.131
  240   1HH1  ARG  33          1HH1      ARG  33   1.838 -18.678   4.729
  241   2HH1  ARG  33          2HH1      ARG  33   2.872 -20.076   4.512
  242   1HH2  ARG  33          1HH2      ARG  33   1.201 -22.000   6.861
  243   2HH2  ARG  33          2HH2      ARG  33   2.491 -21.930   5.700
  244    H    GLN  34           H        GLN  34  -5.477 -19.373   2.901
  245    HA   GLN  34           HA       GLN  34  -6.786 -21.388   4.649
  246   1HB   GLN  34          1HB       GLN  34  -7.159 -19.104   5.548
  247   2HB   GLN  34          2HB       GLN  34  -7.940 -18.637   4.040
  248   1HG   GLN  34          1HG       GLN  34  -9.046 -21.077   5.375
  249   2HG   GLN  34          2HG       GLN  34  -9.183 -19.593   6.311
  250   1HE2  GLN  34          1HE2      GLN  34 -11.067 -21.433   4.407
  251   2HE2  GLN  34          2HE2      GLN  34 -11.972 -20.098   3.654
  252    H    ARG  35           H        ARG  35  -5.802 -21.230   1.745
  253    HA   ARG  35           HA       ARG  35  -8.359 -22.179   0.532
  254   1HB   ARG  35          1HB       ARG  35  -7.431 -19.735  -0.135
  255   2HB   ARG  35          2HB       ARG  35  -6.428 -20.651  -1.228
  256   1HG   ARG  35          1HG       ARG  35  -8.330 -20.276  -2.524
  257   2HG   ARG  35          2HG       ARG  35  -8.798 -21.828  -1.805
  258   1HD   ARG  35          1HD       ARG  35  -9.965 -20.555   0.044
  259   2HD   ARG  35          2HD       ARG  35  -9.576 -19.051  -0.778
  260    HE   ARG  35           HE       ARG  35 -11.659 -20.947  -1.476
  261   1HH1  ARG  35          1HH1      ARG  35  -9.606 -18.535  -2.916
  262   2HH1  ARG  35          2HH1      ARG  35 -10.642 -18.324  -4.310
  263   1HH2  ARG  35          1HH2      ARG  35 -13.033 -20.557  -3.180
  264   2HH2  ARG  35          2HH2      ARG  35 -12.537 -19.485  -4.461
  265    H    TYR  36           H        TYR  36  -6.736 -22.473  -1.992
  266    HA   TYR  36           HA       TYR  36  -6.085 -25.144  -2.148
  267   1HB   TYR  36          1HB       TYR  36  -4.806 -24.497  -4.104
  268   2HB   TYR  36          2HB       TYR  36  -6.272 -23.536  -4.016
  269    HD1  TYR  36           HD1      TYR  36  -6.162 -21.090  -3.860
  270    HD2  TYR  36           HD2      TYR  36  -2.584 -23.474  -3.448
  271    HE1  TYR  36           HE1      TYR  36  -4.764 -19.019  -3.843
  272    HE2  TYR  36           HE2      TYR  36  -1.210 -21.416  -3.410
  273    HH   TYR  36           HH       TYR  36  -1.266 -19.129  -3.275
  274   1HN   NH2  37          1HN       NH2  37  -3.971 -22.574  -0.697
  275   2HN   NH2  37          2HN       NH2  37  -2.758 -23.762  -0.229
  Start of MODEL   17
    1   1H    TYR   1          1H        TYR   1 -18.231   0.902  12.491
    2   2H    TYR   1          2H        TYR   1 -17.737   1.011  10.926
    3   3H    TYR   1          3H        TYR   1 -17.146   2.053  12.056
    4    HA   TYR   1           HA       TYR   1 -18.972   2.865  10.468
    5   1HB   TYR   1          1HB       TYR   1 -20.467   1.154  12.489
    6   2HB   TYR   1          2HB       TYR   1 -21.243   2.432  11.570
    7    HD1  TYR   1           HD1      TYR   1 -21.201   2.408   9.041
    8    HD2  TYR   1           HD2      TYR   1 -20.237  -1.050  11.480
    9    HE1  TYR   1           HE1      TYR   1 -21.696   0.902   7.126
   10    HE2  TYR   1           HE2      TYR   1 -20.744  -2.527   9.561
   11    HH   TYR   1           HH       TYR   1 -21.946  -2.553   7.517
   12    HA   PRO   2           HA       PRO   2 -18.192   5.444  14.263
   13   1HB   PRO   2          1HB       PRO   2 -16.413   7.276  13.181
   14   2HB   PRO   2          2HB       PRO   2 -15.953   5.779  14.022
   15   1HG   PRO   2          1HG       PRO   2 -15.883   6.361  11.098
   16   2HG   PRO   2          2HG       PRO   2 -14.920   5.197  12.056
   17   1HD   PRO   2          1HD       PRO   2 -17.205   4.638  10.437
   18   2HD   PRO   2          2HD       PRO   2 -16.355   3.533  11.548
   19    H    SER   3           H        SER   3 -18.018   6.976  10.988
   20    HA   SER   3           HA       SER   3 -20.675   7.947  11.027
   21   1HB   SER   3          1HB       SER   3 -19.425   9.508  12.713
   22   2HB   SER   3          2HB       SER   3 -18.643  10.192  11.278
   23    HG   SER   3           HG       SER   3 -20.760  11.069  12.092
   24    H    LYS   4           H        LYS   4 -20.461  10.018   9.295
   25    HA   LYS   4           HA       LYS   4 -19.922   8.842   6.740
   26   1HB   LYS   4          1HB       LYS   4 -20.262  11.700   7.713
   27   2HB   LYS   4          2HB       LYS   4 -20.028  11.351   6.007
   28   1HG   LYS   4          1HG       LYS   4 -22.081  10.399   5.704
   29   2HG   LYS   4          2HG       LYS   4 -22.167   9.717   7.314
   30   1HD   LYS   4          1HD       LYS   4 -23.412  11.399   8.089
   31   2HD   LYS   4          2HD       LYS   4 -22.237  12.606   7.563
   32   1HE   LYS   4          1HE       LYS   4 -23.204  12.336   5.203
   33   2HE   LYS   4          2HE       LYS   4 -24.527  11.419   5.939
   34   1HZ   LYS   4          1HZ       LYS   4 -25.004  13.808   5.671
   35   2HZ   LYS   4          2HZ       LYS   4 -25.083  13.344   7.247
   36   3HZ   LYS   4          3HZ       LYS   4 -23.771  14.171   6.718
   37    HA   PRO   5           HA       PRO   5 -15.580   9.360   6.326
   38   1HB   PRO   5          1HB       PRO   5 -15.253   9.631   3.592
   39   2HB   PRO   5          2HB       PRO   5 -15.608   8.098   4.427
   40   1HG   PRO   5          1HG       PRO   5 -17.453   9.818   2.829
   41   2HG   PRO   5          2HG       PRO   5 -17.490   8.048   3.099
   42   1HD   PRO   5          1HD       PRO   5 -19.057  10.012   4.412
   43   2HD   PRO   5          2HD       PRO   5 -18.886   8.297   4.894
   44    H    ASP   6           H        ASP   6 -14.004  10.893   6.176
   45    HA   ASP   6           HA       ASP   6 -14.639  13.678   5.382
   46   1HB   ASP   6          1HB       ASP   6 -13.678  12.602   8.049
   47   2HB   ASP   6          2HB       ASP   6 -12.920  14.061   7.447
   48    H    ASN   7           H        ASN   7 -12.655  14.856   5.043
   49    HA   ASN   7           HA       ASN   7 -10.669  15.307   4.127
   50   1HB   ASN   7          1HB       ASN   7  -9.732  12.521   4.936
   51   2HB   ASN   7          2HB       ASN   7  -8.712  13.831   4.419
   52   1HD2  ASN   7          1HD2      ASN   7 -10.749  12.664   7.028
   53   2HD2  ASN   7          2HD2      ASN   7 -10.120  13.822   8.222
   54    HA   PRO   8           HA       PRO   8 -11.007  13.612   0.007
   55   1HB   PRO   8          1HB       PRO   8  -8.669  14.514  -1.169
   56   2HB   PRO   8          2HB       PRO   8 -10.107  15.515  -0.844
   57   1HG   PRO   8          1HG       PRO   8  -7.508  15.454   0.624
   58   2HG   PRO   8          2HG       PRO   8  -8.671  16.796   0.421
   59   1HD   PRO   8          1HD       PRO   8  -8.378  15.084   2.673
   60   2HD   PRO   8          2HD       PRO   8  -9.697  16.260   2.389
   61    H    GLY   9           H        GLY   9  -9.479  12.320  -1.649
   62   1HA   GLY   9          1HA       GLY   9  -7.514  10.556  -0.410
   63   2HA   GLY   9          2HA       GLY   9  -9.081   9.774  -0.646
   64    H    GLU  10           H        GLU  10  -6.228  11.089  -2.214
   65    HA   GLU  10           HA       GLU  10  -6.761   9.658  -4.693
   66   1HB   GLU  10          1HB       GLU  10  -6.589  12.685  -4.488
   67   2HB   GLU  10          2HB       GLU  10  -5.919  11.854  -5.878
   68   1HG   GLU  10          1HG       GLU  10  -7.898  11.932  -6.850
   69   2HG   GLU  10          2HG       GLU  10  -8.413  10.667  -5.753
   70    H    ASP  11           H        ASP  11  -5.003   8.536  -4.824
   71    HA   ASP  11           HA       ASP  11  -2.868   7.870  -5.103
   72   1HB   ASP  11          1HB       ASP  11  -2.627  10.328  -6.080
   73   2HB   ASP  11          2HB       ASP  11  -1.698  10.607  -4.616
   74    H    ALA  12           H        ALA  12  -2.898  10.396  -2.648
   75    HA   ALA  12           HA       ALA  12  -1.946  10.617  -0.564
   76   1HB   ALA  12          1HB       ALA  12  -3.380   7.954  -0.322
   77   2HB   ALA  12          2HB       ALA  12  -2.795   8.927   1.047
   78   3HB   ALA  12          3HB       ALA  12  -4.039   9.587  -0.031
   79    HA   PRO  13           HA       PRO  13   1.752   8.006  -1.594
   80   1HB   PRO  13          1HB       PRO  13   3.655   9.995  -1.671
   81   2HB   PRO  13          2HB       PRO  13   2.601   9.551  -3.033
   82   1HG   PRO  13          1HG       PRO  13   2.358  11.884  -1.153
   83   2HG   PRO  13          2HG       PRO  13   1.968  11.786  -2.897
   84   1HD   PRO  13          1HD       PRO  13   0.135  11.613  -0.777
   85   2HD   PRO  13          2HD       PRO  13  -0.173  11.069  -2.450
   86    H    ALA  14           H        ALA  14   1.116   7.268   0.487
   87    HA   ALA  14           HA       ALA  14   1.693   6.401   2.500
   88   1HB   ALA  14          1HB       ALA  14   4.099   6.768   1.808
   89   2HB   ALA  14          2HB       ALA  14   4.047   8.286   2.734
   90   3HB   ALA  14          3HB       ALA  14   3.780   6.734   3.559
   91    H    GLU  15           H        GLU  15  -0.150   8.560   2.023
   92    HA   GLU  15           HA       GLU  15  -0.181   9.862   4.719
   93   1HB   GLU  15          1HB       GLU  15  -0.330  10.917   2.028
   94   2HB   GLU  15          2HB       GLU  15  -1.836  11.297   2.850
   95   1HG   GLU  15          1HG       GLU  15  -0.781  12.583   4.508
   96   2HG   GLU  15          2HG       GLU  15   0.771  11.768   4.307
   97    H    ASP  16           H        ASP  16  -1.646   7.545   3.167
   98    HA   ASP  16           HA       ASP  16  -3.774   7.042   4.971
   99   1HB   ASP  16          1HB       ASP  16  -4.516   8.825   2.717
  100   2HB   ASP  16          2HB       ASP  16  -5.481   7.367   2.770
  101    H    LEU  17           H        LEU  17  -2.697   6.636   1.572
  102    HA   LEU  17           HA       LEU  17  -3.804   4.111   1.040
  103   1HB   LEU  17          1HB       LEU  17  -2.796   5.511  -0.683
  104   2HB   LEU  17          2HB       LEU  17  -1.230   5.430   0.120
  105    HG   LEU  17           HG       LEU  17  -1.140   2.967  -0.382
  106   1HD1  LEU  17          1HD1      LEU  17  -3.751   2.942  -0.864
  107   2HD1  LEU  17          2HD1      LEU  17  -3.266   3.412  -2.485
  108   3HD1  LEU  17          3HD1      LEU  17  -2.651   1.896  -1.781
  109   1HD2  LEU  17          1HD2      LEU  17   0.087   4.579  -1.708
  110   2HD2  LEU  17          2HD2      LEU  17  -0.504   3.235  -2.702
  111   3HD2  LEU  17          3HD2      LEU  17  -1.317   4.812  -2.761
  112    H    ALA  18           H        ALA  18  -1.266   4.857   3.216
  113    HA   ALA  18           HA       ALA  18   0.157   2.367   3.401
  114   1HB   ALA  18          1HB       ALA  18   1.168   3.381   5.336
  115   2HB   ALA  18          2HB       ALA  18   0.985   4.651   4.117
  116   3HB   ALA  18          3HB       ALA  18  -0.146   4.566   5.489
  117    H    GLN  19           H        GLN  19  -2.650   1.980   3.420
  118    HA   GLN  19           HA       GLN  19  -2.988   0.204   5.658
  119   1HB   GLN  19          1HB       GLN  19  -3.831   2.627   6.287
  120   2HB   GLN  19          2HB       GLN  19  -5.203   2.233   5.286
  121   1HG   GLN  19          1HG       GLN  19  -4.419   0.126   7.267
  122   2HG   GLN  19          2HG       GLN  19  -4.896   1.642   7.995
  123   1HE2  GLN  19          1HE2      GLN  19  -6.256  -0.920   8.311
  124   2HE2  GLN  19          2HE2      GLN  19  -7.828  -0.690   7.531
  125    H    TYR  20           H        TYR  20  -4.405   1.730   2.736
  126    HA   TYR  20           HA       TYR  20  -6.406  -0.213   2.162
  127   1HB   TYR  20          1HB       TYR  20  -6.158   2.021   1.062
  128   2HB   TYR  20          2HB       TYR  20  -4.708   1.443   0.279
  129    HD1  TYR  20           HD1      TYR  20  -8.392   1.043   0.433
  130    HD2  TYR  20           HD2      TYR  20  -4.791   0.074  -1.737
  131    HE1  TYR  20           HE1      TYR  20  -9.761   0.312  -1.506
  132    HE2  TYR  20           HE2      TYR  20  -6.167  -0.701  -3.661
  133    HH   TYR  20           HH       TYR  20  -9.691  -0.342  -3.721
  134    H    ALA  21           H        ALA  21  -3.102   0.089   0.808
  135    HA   ALA  21           HA       ALA  21  -3.123  -2.346  -0.651
  136   1HB   ALA  21          1HB       ALA  21  -1.385  -0.351  -0.625
  137   2HB   ALA  21          2HB       ALA  21  -0.571  -1.328   0.617
  138   3HB   ALA  21          3HB       ALA  21  -0.844  -1.998  -1.001
  139    H    ALA  22           H        ALA  22  -2.599  -1.738   2.728
  140    HA   ALA  22           HA       ALA  22  -1.543  -4.369   3.443
  141   1HB   ALA  22          1HB       ALA  22  -1.513  -3.553   5.669
  142   2HB   ALA  22          2HB       ALA  22  -1.034  -2.162   4.680
  143   3HB   ALA  22          3HB       ALA  22  -2.687  -2.274   5.331
  144    H    ASP  23           H        ASP  23  -4.753  -2.662   3.822
  145    HA   ASP  23           HA       ASP  23  -6.156  -4.767   5.035
  146   1HB   ASP  23          1HB       ASP  23  -6.800  -2.227   3.988
  147   2HB   ASP  23          2HB       ASP  23  -7.687  -3.296   2.935
  148    H    LEU  24           H        LEU  24  -5.620  -4.070   1.572
  149    HA   LEU  24           HA       LEU  24  -6.931  -6.471   0.609
  150   1HB   LEU  24          1HB       LEU  24  -4.859  -4.628  -0.677
  151   2HB   LEU  24          2HB       LEU  24  -5.450  -6.103  -1.438
  152    HG   LEU  24           HG       LEU  24  -7.837  -5.074  -0.800
  153   1HD1  LEU  24          1HD1      LEU  24  -6.026  -2.669  -1.092
  154   2HD1  LEU  24          2HD1      LEU  24  -7.772  -2.612  -1.403
  155   3HD1  LEU  24          3HD1      LEU  24  -7.199  -3.021   0.201
  156   1HD2  LEU  24          1HD2      LEU  24  -6.356  -4.055  -3.249
  157   2HD2  LEU  24          2HD2      LEU  24  -6.959  -5.730  -3.086
  158   3HD2  LEU  24          3HD2      LEU  24  -8.096  -4.372  -3.057
  159    H    ARG  25           H        ARG  25  -3.422  -5.780   1.049
  160    HA   ARG  25           HA       ARG  25  -2.540  -8.416   0.535
  161   1HB   ARG  25          1HB       ARG  25  -1.396  -6.033   1.887
  162   2HB   ARG  25          2HB       ARG  25  -0.840  -7.482   2.597
  163   1HG   ARG  25          1HG       ARG  25  -0.803  -7.596  -0.381
  164   2HG   ARG  25          2HG       ARG  25   0.198  -6.312   0.292
  165   1HD   ARG  25          1HD       ARG  25   1.553  -7.779   1.502
  166   2HD   ARG  25          2HD       ARG  25   0.363  -9.088   1.466
  167    HE   ARG  25           HE       ARG  25   0.939  -8.794  -1.177
  168   1HH1  ARG  25          1HH1      ARG  25   3.049  -9.208   1.557
  169   2HH1  ARG  25          2HH1      ARG  25   4.247 -10.111   0.662
  170   1HH2  ARG  25          1HH2      ARG  25   2.484  -9.966  -2.322
  171   2HH2  ARG  25          2HH2      ARG  25   3.878 -10.584  -1.504
  172    H    HIS  26           H        HIS  26  -3.684  -7.142   3.665
  173    HA   HIS  26           HA       HIS  26  -3.138  -9.495   5.165
  174   1HB   HIS  26          1HB       HIS  26  -3.767  -7.100   5.928
  175   2HB   HIS  26          2HB       HIS  26  -5.439  -7.559   5.659
  176    HD2  HIS  26           HD2      HIS  26  -6.552  -8.918   7.665
  177    HE1  HIS  26           HE1      HIS  26  -3.087  -9.350  10.107
  178    H    TYR  27           H        TYR  27  -6.171  -8.414   3.546
  179    HA   TYR  27           HA       TYR  27  -7.529 -10.915   3.938
  180   1HB   TYR  27          1HB       TYR  27  -8.210  -8.260   3.269
  181   2HB   TYR  27          2HB       TYR  27  -8.543  -9.106   1.792
  182    HD1  TYR  27           HD1      TYR  27 -10.257 -10.983   1.841
  183    HD2  TYR  27           HD2      TYR  27  -9.502  -8.420   5.219
  184    HE1  TYR  27           HE1      TYR  27 -12.460 -11.634   2.824
  185    HE2  TYR  27           HE2      TYR  27 -11.705  -9.089   6.214
  186    HH   TYR  27           HH       TYR  27 -14.023 -11.067   4.460
  187    H    ILE  28           H        ILE  28  -4.969 -11.022   2.449
  188    HA   ILE  28           HA       ILE  28  -5.854 -12.850   0.319
  189    HB   ILE  28           HB       ILE  28  -5.092 -10.278  -0.341
  190   2HG1  ILE  28          2HG1      ILE  28  -6.426 -12.063  -1.605
  191   1HG2  ILE  28          1HG2      ILE  28  -2.706 -10.650   0.033
  192   2HG2  ILE  28          2HG2      ILE  28  -2.735 -12.055  -1.061
  193   3HG2  ILE  28          3HG2      ILE  28  -3.013 -10.412  -1.666
  194   1HD1  ILE  28          1HD1      ILE  28  -6.465  -9.982  -2.615
  195   2HD1  ILE  28          2HD1      ILE  28  -4.722  -9.903  -2.873
  196   3HD1  ILE  28          3HD1      ILE  28  -5.705 -10.988  -3.865
  197    H    ASN  29           H        ASN  29  -3.034 -11.473   2.007
  198    HA   ASN  29           HA       ASN  29  -1.343 -13.739   1.721
  199   1HB   ASN  29          1HB       ASN  29  -0.965 -11.154   2.690
  200   2HB   ASN  29          2HB       ASN  29  -0.842 -12.133   4.140
  201   1HD2  ASN  29          1HD2      ASN  29   0.461 -11.512   0.900
  202   2HD2  ASN  29          2HD2      ASN  29   1.977 -12.370   1.223
  203    H    LEU  30           H        LEU  30  -3.943 -12.920   4.096
  204    HA   LEU  30           HA       LEU  30  -3.162 -15.161   5.820
  205   1HB   LEU  30          1HB       LEU  30  -5.479 -13.224   5.674
  206   2HB   LEU  30          2HB       LEU  30  -5.642 -14.669   6.643
  207    HG   LEU  30           HG       LEU  30  -3.259 -12.803   6.990
  208   1HD1  LEU  30          1HD1      LEU  30  -5.291 -11.530   7.374
  209   2HD1  LEU  30          2HD1      LEU  30  -5.957 -12.806   8.415
  210   3HD1  LEU  30          3HD1      LEU  30  -4.519 -11.897   8.930
  211   1HD2  LEU  30          1HD2      LEU  30  -4.553 -14.913   8.791
  212   2HD2  LEU  30          2HD2      LEU  30  -3.010 -15.095   7.940
  213   3HD2  LEU  30          3HD2      LEU  30  -3.161 -13.890   9.217
  214    H    ILE  31           H        ILE  31  -5.431 -14.658   3.158
  215    HA   ILE  31           HA       ILE  31  -6.702 -17.255   3.517
  216    HB   ILE  31           HB       ILE  31  -6.755 -15.372   1.136
  217   2HG1  ILE  31          2HG1      ILE  31  -8.713 -14.366   1.928
  218   1HG2  ILE  31          1HG2      ILE  31  -7.471 -17.584   0.438
  219   2HG2  ILE  31          2HG2      ILE  31  -8.442 -17.806   1.903
  220   3HG2  ILE  31          3HG2      ILE  31  -8.948 -16.633   0.667
  221   1HD1  ILE  31          1HD1      ILE  31  -9.821 -14.893   4.088
  222   2HD1  ILE  31          2HD1      ILE  31 -10.023 -16.174   2.889
  223   3HD1  ILE  31          3HD1      ILE  31  -8.849 -16.377   4.212
  224    H    THR  32           H        THR  32  -4.262 -15.952   1.178
  225    HA   THR  32           HA       THR  32  -3.859 -18.285  -0.325
  226    HB   THR  32           HB       THR  32  -2.925 -15.978  -0.742
  227    HG1  THR  32           HG1      THR  32  -1.105 -18.121  -0.978
  228   1HG2  THR  32          1HG2      THR  32  -0.737 -15.380   0.009
  229   2HG2  THR  32          2HG2      THR  32  -1.717 -15.757   1.431
  230   3HG2  THR  32          3HG2      THR  32  -0.514 -16.919   0.863
  231    H    ARG  33           H        ARG  33  -2.287 -17.373   2.747
  232    HA   ARG  33           HA       ARG  33  -0.786 -19.861   2.881
  233   1HB   ARG  33          1HB       ARG  33   0.285 -18.953   4.763
  234   2HB   ARG  33          2HB       ARG  33  -0.025 -17.598   3.710
  235   1HG   ARG  33          1HG       ARG  33  -0.806 -16.580   5.564
  236   2HG   ARG  33          2HG       ARG  33  -2.276 -17.493   5.249
  237   1HD   ARG  33          1HD       ARG  33  -0.720 -19.279   6.735
  238   2HD   ARG  33          2HD       ARG  33  -0.242 -17.700   7.376
  239    HE   ARG  33           HE       ARG  33  -3.150 -18.121   7.165
  240   1HH1  ARG  33          1HH1      ARG  33  -0.375 -18.445   9.262
  241   2HH1  ARG  33          2HH1      ARG  33  -1.327 -18.565  10.717
  242   1HH2  ARG  33          1HH2      ARG  33  -4.378 -18.494   9.028
  243   2HH2  ARG  33          2HH2      ARG  33  -3.552 -18.521  10.573
  244    H    GLN  34           H        GLN  34  -3.900 -19.511   3.175
  245    HA   GLN  34           HA       GLN  34  -4.314 -21.642   5.209
  246   1HB   GLN  34          1HB       GLN  34  -4.728 -19.354   6.057
  247   2HB   GLN  34          2HB       GLN  34  -6.008 -19.140   4.845
  248   1HG   GLN  34          1HG       GLN  34  -7.499 -20.392   6.005
  249   2HG   GLN  34          2HG       GLN  34  -6.304 -21.607   6.453
  250   1HE2  GLN  34          1HE2      GLN  34  -7.719 -21.523   8.439
  251   2HE2  GLN  34          2HE2      GLN  34  -7.190 -20.374   9.666
  252    H    ARG  35           H        ARG  35  -4.326 -21.422   2.077
  253    HA   ARG  35           HA       ARG  35  -6.805 -23.023   1.761
  254   1HB   ARG  35          1HB       ARG  35  -6.598 -20.430   0.867
  255   2HB   ARG  35          2HB       ARG  35  -6.006 -21.234  -0.548
  256   1HG   ARG  35          1HG       ARG  35  -8.517 -22.406   0.651
  257   2HG   ARG  35          2HG       ARG  35  -8.629 -20.716   0.211
  258   1HD   ARG  35          1HD       ARG  35  -7.556 -21.554  -2.078
  259   2HD   ARG  35          2HD       ARG  35  -8.173 -23.123  -1.549
  260    HE   ARG  35           HE       ARG  35 -10.322 -22.365  -2.006
  261   1HH1  ARG  35          1HH1      ARG  35  -8.211 -19.578  -1.921
  262   2HH1  ARG  35          2HH1      ARG  35  -9.445 -18.448  -2.401
  263   1HH2  ARG  35          1HH2      ARG  35 -11.974 -20.800  -2.484
  264   2HH2  ARG  35          2HH2      ARG  35 -11.519 -19.144  -2.677
  265    H    TYR  36           H        TYR  36  -6.064 -23.181  -1.163
  266    HA   TYR  36           HA       TYR  36  -4.830 -25.590  -1.450
  267   1HB   TYR  36          1HB       TYR  36  -4.473 -25.000  -3.722
  268   2HB   TYR  36          2HB       TYR  36  -5.928 -24.167  -3.212
  269    HD1  TYR  36           HD1      TYR  36  -6.108 -21.784  -3.573
  270    HD2  TYR  36           HD2      TYR  36  -2.247 -23.689  -3.786
  271    HE1  TYR  36           HE1      TYR  36  -5.053 -19.602  -4.216
  272    HE2  TYR  36           HE2      TYR  36  -1.212 -21.531  -4.415
  273    HH   TYR  36           HH       TYR  36  -1.614 -19.375  -5.033
  274   1HN   NH2  37          1HN       NH2  37  -3.026 -22.491  -0.888
  275   2HN   NH2  37          2HN       NH2  37  -1.477 -23.316  -0.839
  Start of MODEL   18
    1   1H    TYR   1          1H        TYR   1  24.279  15.416   5.832
    2   2H    TYR   1          2H        TYR   1  23.131  14.857   6.873
    3   3H    TYR   1          3H        TYR   1  23.115  14.373   5.306
    4    HA   TYR   1           HA       TYR   1  21.416  16.070   5.792
    5   1HB   TYR   1          1HB       TYR   1  22.235  18.395   6.122
    6   2HB   TYR   1          2HB       TYR   1  22.529  17.323   7.478
    7    HD1  TYR   1           HD1      TYR   1  24.099  19.443   4.926
    8    HD2  TYR   1           HD2      TYR   1  24.867  16.497   8.008
    9    HE1  TYR   1           HE1      TYR   1  26.520  19.997   4.875
   10    HE2  TYR   1           HE2      TYR   1  27.266  17.033   7.917
   11    HH   TYR   1           HH       TYR   1  28.883  18.285   6.920
   12    HA   PRO   2           HA       PRO   2  22.696  16.304   1.423
   13   1HB   PRO   2          1HB       PRO   2  20.314  15.465   0.291
   14   2HB   PRO   2          2HB       PRO   2  21.622  14.389   0.853
   15   1HG   PRO   2          1HG       PRO   2  18.995  14.972   2.165
   16   2HG   PRO   2          2HG       PRO   2  20.011  13.502   2.244
   17   1HD   PRO   2          1HD       PRO   2  19.842  15.570   4.189
   18   2HD   PRO   2          2HD       PRO   2  21.054  14.259   4.129
   19    H    SER   3           H        SER   3  19.229  17.040   1.862
   20    HA   SER   3           HA       SER   3  19.634  19.809   0.844
   21   1HB   SER   3          1HB       SER   3  17.158  19.549   0.276
   22   2HB   SER   3          2HB       SER   3  18.299  18.579  -0.676
   23    HG   SER   3           HG       SER   3  17.215  16.925  -0.021
   24    H    LYS   4           H        LYS   4  17.204  18.120   2.748
   25    HA   LYS   4           HA       LYS   4  16.076  18.560   4.728
   26   1HB   LYS   4          1HB       LYS   4  18.748  19.781   5.366
   27   2HB   LYS   4          2HB       LYS   4  17.415  19.986   6.473
   28   1HG   LYS   4          1HG       LYS   4  17.700  17.182   5.531
   29   2HG   LYS   4          2HG       LYS   4  19.124  17.773   6.376
   30   1HD   LYS   4          1HD       LYS   4  17.933  18.198   8.387
   31   2HD   LYS   4          2HD       LYS   4  16.384  18.252   7.562
   32   1HE   LYS   4          1HE       LYS   4  16.064  16.202   8.387
   33   2HE   LYS   4          2HE       LYS   4  16.996  15.705   6.977
   34   1HZ   LYS   4          1HZ       LYS   4  18.998  15.794   8.473
   35   2HZ   LYS   4          2HZ       LYS   4  18.000  16.080   9.745
   36   3HZ   LYS   4          3HZ       LYS   4  17.887  14.672   8.935
   37    HA   PRO   5           HA       PRO   5  14.626  22.511   2.907
   38   1HB   PRO   5          1HB       PRO   5  11.957  21.802   2.673
   39   2HB   PRO   5          2HB       PRO   5  13.216  21.513   1.440
   40   1HG   PRO   5          1HG       PRO   5  11.981  19.568   3.351
   41   2HG   PRO   5          2HG       PRO   5  12.630  19.292   1.713
   42   1HD   PRO   5          1HD       PRO   5  13.917  18.731   4.156
   43   2HD   PRO   5          2HD       PRO   5  14.719  18.836   2.562
   44    H    ASP   6           H        ASP   6  12.651  20.709   5.278
   45    HA   ASP   6           HA       ASP   6  13.004  22.650   7.366
   46   1HB   ASP   6          1HB       ASP   6  10.510  22.795   5.714
   47   2HB   ASP   6          2HB       ASP   6  10.246  22.751   7.443
   48    H    ASN   7           H        ASN   7  10.085  20.733   6.907
   49    HA   ASN   7           HA       ASN   7  11.058  18.288   8.179
   50   1HB   ASN   7          1HB       ASN   7  10.760  19.785  10.112
   51   2HB   ASN   7          2HB       ASN   7   9.091  20.105   9.632
   52   1HD2  ASN   7          1HD2      ASN   7  10.682  18.492  11.965
   53   2HD2  ASN   7          2HD2      ASN   7   9.597  17.100  12.049
   54    HA   PRO   8           HA       PRO   8   7.431  17.562   5.430
   55   1HB   PRO   8          1HB       PRO   8   8.224  15.141   4.390
   56   2HB   PRO   8          2HB       PRO   8   8.724  16.733   3.763
   57   1HG   PRO   8          1HG       PRO   8  10.290  14.793   5.433
   58   2HG   PRO   8          2HG       PRO   8  10.870  15.966   4.213
   59   1HD   PRO   8          1HD       PRO   8  10.892  16.290   7.032
   60   2HD   PRO   8          2HD       PRO   8  11.178  17.573   5.823
   61    H    GLY   9           H        GLY   9   5.884  17.284   6.994
   62   1HA   GLY   9          1HA       GLY   9   4.871  14.649   7.472
   63   2HA   GLY   9          2HA       GLY   9   5.777  15.184   8.895
   64    H    GLU  10           H        GLU  10   3.070  15.997   6.773
   65    HA   GLU  10           HA       GLU  10   1.120  16.637   8.566
   66   1HB   GLU  10          1HB       GLU  10   3.003  18.930   8.269
   67   2HB   GLU  10          2HB       GLU  10   1.318  19.351   8.061
   68   1HG   GLU  10          1HG       GLU  10   0.764  19.075  10.222
   69   2HG   GLU  10          2HG       GLU  10   1.714  17.630  10.432
   70    H    ASP  11           H        ASP  11   2.551  17.452   5.471
   71    HA   ASP  11           HA       ASP  11  -0.101  17.189   4.163
   72   1HB   ASP  11          1HB       ASP  11   1.650  19.589   4.199
   73   2HB   ASP  11          2HB       ASP  11   1.286  19.042   2.576
   74    H    ALA  12           H        ALA  12   0.503  14.992   3.681
   75    HA   ALA  12           HA       ALA  12   2.060  14.802   1.246
   76   1HB   ALA  12          1HB       ALA  12   3.056  12.838   3.274
   77   2HB   ALA  12          2HB       ALA  12   3.926  13.716   1.994
   78   3HB   ALA  12          3HB       ALA  12   3.580  14.517   3.518
   79    HA   PRO  13           HA       PRO  13  -0.695  11.254   0.786
   80   1HB   PRO  13          1HB       PRO  13   0.810   9.360  -0.569
   81   2HB   PRO  13          2HB       PRO  13   0.095  10.811  -1.314
   82   1HG   PRO  13          1HG       PRO  13   2.942  10.290  -0.589
   83   2HG   PRO  13          2HG       PRO  13   2.264  11.343  -1.867
   84   1HD   PRO  13          1HD       PRO  13   3.213  12.104   0.701
   85   2HD   PRO  13          2HD       PRO  13   2.367  13.157  -0.466
   86    H    ALA  14           H        ALA  14  -0.667   8.746   1.149
   87    HA   ALA  14           HA       ALA  14  -0.372   6.903   2.436
   88   1HB   ALA  14          1HB       ALA  14   1.892   8.184   3.977
   89   2HB   ALA  14          2HB       ALA  14   1.546   6.476   3.754
   90   3HB   ALA  14          3HB       ALA  14   2.100   7.446   2.373
   91    H    GLU  15           H        GLU  15  -2.380   8.646   2.950
   92    HA   GLU  15           HA       GLU  15  -2.673   8.607   5.913
   93   1HB   GLU  15          1HB       GLU  15  -3.056  10.670   3.900
   94   2HB   GLU  15          2HB       GLU  15  -4.586  10.345   4.697
   95   1HG   GLU  15          1HG       GLU  15  -3.568  10.695   6.906
   96   2HG   GLU  15          2HG       GLU  15  -1.971  10.843   6.171
   97    H    ASP  16           H        ASP  16  -3.578   6.862   3.477
   98    HA   ASP  16           HA       ASP  16  -5.810   5.528   4.789
   99   1HB   ASP  16          1HB       ASP  16  -6.403   7.674   2.868
  100   2HB   ASP  16          2HB       ASP  16  -6.985   6.148   2.242
  101    H    LEU  17           H        LEU  17  -4.783   6.053   1.407
  102    HA   LEU  17           HA       LEU  17  -4.887   3.482   0.468
  103   1HB   LEU  17          1HB       LEU  17  -4.158   4.327  -1.432
  104   2HB   LEU  17          2HB       LEU  17  -4.337   5.849  -0.621
  105    HG   LEU  17           HG       LEU  17  -2.393   5.979  -1.833
  106   1HD1  LEU  17          1HD1      LEU  17  -0.853   5.356   0.632
  107   2HD1  LEU  17          2HD1      LEU  17  -0.917   6.810  -0.355
  108   3HD1  LEU  17          3HD1      LEU  17  -2.221   6.495   0.808
  109   1HD2  LEU  17          1HD2      LEU  17  -0.666   4.446  -2.123
  110   2HD2  LEU  17          2HD2      LEU  17  -1.090   3.499  -0.695
  111   3HD2  LEU  17          3HD2      LEU  17  -2.132   3.449  -2.125
  112    H    ALA  18           H        ALA  18  -2.461   4.724   2.526
  113    HA   ALA  18           HA       ALA  18  -0.345   2.800   2.212
  114   1HB   ALA  18          1HB       ALA  18  -1.237   4.664   4.464
  115   2HB   ALA  18          2HB       ALA  18   0.196   3.624   4.584
  116   3HB   ALA  18          3HB       ALA  18   0.107   4.858   3.318
  117    H    GLN  19           H        GLN  19  -3.169   2.990   4.439
  118    HA   GLN  19           HA       GLN  19  -2.587   0.341   5.537
  119   1HB   GLN  19          1HB       GLN  19  -4.145   2.572   6.428
  120   2HB   GLN  19          2HB       GLN  19  -5.300   1.308   6.022
  121   1HG   GLN  19          1HG       GLN  19  -3.541  -0.229   7.380
  122   2HG   GLN  19          2HG       GLN  19  -3.099   1.327   8.079
  123   1HE2  GLN  19          1HE2      GLN  19  -3.859   0.786  10.188
  124   2HE2  GLN  19          2HE2      GLN  19  -5.566   0.463  10.469
  125    H    TYR  20           H        TYR  20  -4.571   1.771   2.960
  126    HA   TYR  20           HA       TYR  20  -6.303  -0.439   2.481
  127   1HB   TYR  20          1HB       TYR  20  -5.079   1.518   0.530
  128   2HB   TYR  20          2HB       TYR  20  -6.371   0.499   0.121
  129    HD1  TYR  20           HD1      TYR  20  -7.095   2.961  -0.565
  130    HD2  TYR  20           HD2      TYR  20  -7.065   1.464   3.504
  131    HE1  TYR  20           HE1      TYR  20  -8.799   4.668   0.117
  132    HE2  TYR  20           HE2      TYR  20  -8.699   3.164   4.137
  133    HH   TYR  20           HH       TYR  20  -9.476   5.217   3.458
  134    H    ALA  21           H        ALA  21  -3.068   0.254   1.111
  135    HA   ALA  21           HA       ALA  21  -2.834  -2.247  -0.316
  136   1HB   ALA  21          1HB       ALA  21  -0.288  -1.711   0.025
  137   2HB   ALA  21          2HB       ALA  21  -1.294  -0.647  -0.981
  138   3HB   ALA  21          3HB       ALA  21  -0.876  -0.168   0.682
  139    H    ALA  22           H        ALA  22  -2.422  -1.502   3.112
  140    HA   ALA  22           HA       ALA  22  -0.992  -3.957   3.766
  141   1HB   ALA  22          1HB       ALA  22  -1.058  -3.170   6.015
  142   2HB   ALA  22          2HB       ALA  22  -0.800  -1.723   5.014
  143   3HB   ALA  22          3HB       ALA  22  -2.407  -2.074   5.690
  144    H    ASP  23           H        ASP  23  -4.354  -2.741   4.302
  145    HA   ASP  23           HA       ASP  23  -5.459  -5.069   5.457
  146   1HB   ASP  23          1HB       ASP  23  -6.405  -2.558   4.715
  147   2HB   ASP  23          2HB       ASP  23  -7.174  -3.572   3.511
  148    H    LEU  24           H        LEU  24  -5.183  -4.097   1.998
  149    HA   LEU  24           HA       LEU  24  -6.274  -6.594   1.017
  150   1HB   LEU  24          1HB       LEU  24  -4.492  -4.536  -0.355
  151   2HB   LEU  24          2HB       LEU  24  -5.225  -5.929  -1.146
  152    HG   LEU  24           HG       LEU  24  -6.588  -3.439  -0.082
  153   1HD1  LEU  24          1HD1      LEU  24  -6.649  -4.978  -2.703
  154   2HD1  LEU  24          2HD1      LEU  24  -7.687  -3.587  -2.339
  155   3HD1  LEU  24          3HD1      LEU  24  -5.938  -3.379  -2.395
  156   1HD2  LEU  24          1HD2      LEU  24  -7.966  -5.135   0.910
  157   2HD2  LEU  24          2HD2      LEU  24  -8.792  -4.485  -0.493
  158   3HD2  LEU  24          3HD2      LEU  24  -7.994  -6.075  -0.605
  159    H    ARG  25           H        ARG  25  -2.880  -5.627   1.675
  160    HA   ARG  25           HA       ARG  25  -1.709  -8.131   0.910
  161   1HB   ARG  25          1HB       ARG  25  -0.915  -5.717   2.435
  162   2HB   ARG  25          2HB       ARG  25  -0.201  -7.113   3.104
  163   1HG   ARG  25          1HG       ARG  25  -0.058  -6.999   0.106
  164   2HG   ARG  25          2HG       ARG  25   0.762  -5.681   0.926
  165   1HD   ARG  25          1HD       ARG  25   2.425  -6.963   1.701
  166   2HD   ARG  25          2HD       ARG  25   1.347  -8.277   2.195
  167    HE   ARG  25           HE       ARG  25   1.348  -8.599  -0.484
  168   1HH1  ARG  25          1HH1      ARG  25   3.941  -8.419   1.838
  169   2HH1  ARG  25          2HH1      ARG  25   4.970  -9.541   0.982
  170   1HH2  ARG  25          1HH2      ARG  25   2.712 -10.062  -1.592
  171   2HH2  ARG  25          2HH2      ARG  25   4.278 -10.403  -0.916
  172    H    HIS  26           H        HIS  26  -3.249  -7.184   3.958
  173    HA   HIS  26           HA       HIS  26  -2.581  -9.612   5.361
  174   1HB   HIS  26          1HB       HIS  26  -3.198  -7.454   6.452
  175   2HB   HIS  26          2HB       HIS  26  -4.837  -7.639   5.861
  176    HD2  HIS  26           HD2      HIS  26  -6.363  -9.630   6.979
  177    HE1  HIS  26           HE1      HIS  26  -3.750 -10.452  10.235
  178    H    TYR  27           H        TYR  27  -5.635  -8.501   3.811
  179    HA   TYR  27           HA       TYR  27  -7.130 -10.856   4.094
  180   1HB   TYR  27          1HB       TYR  27  -7.517  -8.391   2.903
  181   2HB   TYR  27          2HB       TYR  27  -7.469  -9.432   1.501
  182    HD1  TYR  27           HD1      TYR  27  -9.021  -9.108   4.901
  183    HD2  TYR  27           HD2      TYR  27  -9.500 -10.490   0.844
  184    HE1  TYR  27           HE1      TYR  27 -11.388  -9.658   5.378
  185    HE2  TYR  27           HE2      TYR  27 -11.895 -11.028   1.317
  186    HH   TYR  27           HH       TYR  27 -13.299 -10.634   4.559
  187    H    ILE  28           H        ILE  28  -4.969  -9.970   1.310
  188    HA   ILE  28           HA       ILE  28  -5.323 -12.423  -0.031
  189    HB   ILE  28           HB       ILE  28  -3.915 -10.107  -0.464
  190   2HG1  ILE  28          2HG1      ILE  28  -5.136 -11.820  -2.040
  191   1HG2  ILE  28          1HG2      ILE  28  -1.635 -10.665  -1.156
  192   2HG2  ILE  28          2HG2      ILE  28  -1.862 -10.847   0.574
  193   3HG2  ILE  28          3HG2      ILE  28  -1.811 -12.287  -0.467
  194   1HD1  ILE  28          1HD1      ILE  28  -4.189 -10.720  -3.995
  195   2HD1  ILE  28          2HD1      ILE  28  -4.485  -9.552  -2.696
  196   3HD1  ILE  28          3HD1      ILE  28  -2.828 -10.105  -3.028
  197    H    ASN  29           H        ASN  29  -2.878 -11.612   2.429
  198    HA   ASN  29           HA       ASN  29  -1.638 -14.198   2.419
  199   1HB   ASN  29          1HB       ASN  29  -1.400 -11.738   3.962
  200   2HB   ASN  29          2HB       ASN  29  -1.475 -13.076   5.069
  201   1HD2  ASN  29          1HD2      ASN  29   0.773 -11.841   5.291
  202   2HD2  ASN  29          2HD2      ASN  29   2.055 -12.688   4.409
  203    H    LEU  30           H        LEU  30  -4.540 -13.066   4.014
  204    HA   LEU  30           HA       LEU  30  -4.908 -15.430   5.662
  205   1HB   LEU  30          1HB       LEU  30  -6.396 -12.931   4.998
  206   2HB   LEU  30          2HB       LEU  30  -7.427 -14.311   5.315
  207    HG   LEU  30           HG       LEU  30  -5.285 -13.248   7.201
  208   1HD1  LEU  30          1HD1      LEU  30  -7.154 -12.415   8.511
  209   2HD1  LEU  30          2HD1      LEU  30  -7.291 -11.777   6.866
  210   3HD1  LEU  30          3HD1      LEU  30  -8.329 -13.123   7.379
  211   1HD2  LEU  30          1HD2      LEU  30  -7.244 -15.572   7.366
  212   2HD2  LEU  30          2HD2      LEU  30  -5.505 -15.561   7.743
  213   3HD2  LEU  30          3HD2      LEU  30  -6.646 -14.769   8.833
  214    H    ILE  31           H        ILE  31  -6.405 -14.322   2.594
  215    HA   ILE  31           HA       ILE  31  -7.847 -16.760   2.137
  216    HB   ILE  31           HB       ILE  31  -6.996 -14.519   0.273
  217   2HG1  ILE  31          2HG1      ILE  31  -9.640 -15.547   1.420
  218   1HG2  ILE  31          1HG2      ILE  31  -8.553 -15.761  -1.434
  219   2HG2  ILE  31          2HG2      ILE  31  -6.888 -16.259  -1.274
  220   3HG2  ILE  31          3HG2      ILE  31  -8.180 -17.208  -0.489
  221   1HD1  ILE  31          1HD1      ILE  31 -10.028 -13.147   1.876
  222   2HD1  ILE  31          2HD1      ILE  31  -8.580 -13.717   2.715
  223   3HD1  ILE  31          3HD1      ILE  31  -8.432 -12.764   1.207
  224    H    THR  32           H        THR  32  -4.568 -15.768   0.967
  225    HA   THR  32           HA       THR  32  -4.031 -18.127  -0.495
  226    HB   THR  32           HB       THR  32  -2.678 -15.877  -0.174
  227    HG1  THR  32           HG1      THR  32  -0.985 -17.049  -1.206
  228   1HG2  THR  32          1HG2      THR  32  -0.957 -17.849   1.383
  229   2HG2  THR  32          2HG2      THR  32  -0.522 -16.203   0.886
  230   3HG2  THR  32          3HG2      THR  32  -1.789 -16.455   2.091
  231    H    ARG  33           H        ARG  33  -4.036 -17.677   2.930
  232    HA   ARG  33           HA       ARG  33  -2.772 -20.244   3.494
  233   1HB   ARG  33          1HB       ARG  33  -3.246 -17.849   4.913
  234   2HB   ARG  33          2HB       ARG  33  -4.271 -18.998   5.731
  235   1HG   ARG  33          1HG       ARG  33  -2.448 -20.330   6.394
  236   2HG   ARG  33          2HG       ARG  33  -1.428 -19.778   5.053
  237   1HD   ARG  33          1HD       ARG  33  -1.299 -17.517   6.077
  238   2HD   ARG  33          2HD       ARG  33  -2.174 -18.143   7.489
  239    HE   ARG  33           HE       ARG  33   0.139 -19.752   6.781
  240   1HH1  ARG  33          1HH1      ARG  33  -0.797 -16.939   8.608
  241   2HH1  ARG  33          2HH1      ARG  33   0.578 -17.014   9.676
  242   1HH2  ARG  33          1HH2      ARG  33   1.968 -19.760   8.053
  243   2HH2  ARG  33          2HH2      ARG  33   2.177 -18.558   9.289
  244    H    GLN  34           H        GLN  34  -5.548 -19.798   2.139
  245    HA   GLN  34           HA       GLN  34  -6.868 -22.225   3.275
  246   1HB   GLN  34          1HB       GLN  34  -8.121 -19.481   2.838
  247   2HB   GLN  34          2HB       GLN  34  -9.076 -20.948   3.021
  248   1HG   GLN  34          1HG       GLN  34  -7.147 -19.875   5.125
  249   2HG   GLN  34          2HG       GLN  34  -8.884 -19.631   5.114
  250   1HE2  GLN  34          1HE2      GLN  34 -10.335 -21.454   5.658
  251   2HE2  GLN  34          2HE2      GLN  34  -9.566 -22.922   6.292
  252    H    ARG  35           H        ARG  35  -6.838 -19.884   0.493
  253    HA   ARG  35           HA       ARG  35  -8.271 -21.506  -1.369
  254   1HB   ARG  35          1HB       ARG  35  -6.876 -20.244  -3.064
  255   2HB   ARG  35          2HB       ARG  35  -7.799 -19.209  -1.983
  256   1HG   ARG  35          1HG       ARG  35  -5.997 -18.339  -1.123
  257   2HG   ARG  35          2HG       ARG  35  -5.028 -19.817  -1.177
  258   1HD   ARG  35          1HD       ARG  35  -3.889 -18.943  -2.881
  259   2HD   ARG  35          2HD       ARG  35  -5.361 -18.896  -3.876
  260    HE   ARG  35           HE       ARG  35  -5.120 -16.657  -2.032
  261   1HH1  ARG  35          1HH1      ARG  35  -3.791 -17.771  -5.004
  262   2HH1  ARG  35          2HH1      ARG  35  -3.265 -16.206  -5.587
  263   1HH2  ARG  35          1HH2      ARG  35  -4.621 -14.605  -2.758
  264   2HH2  ARG  35          2HH2      ARG  35  -3.857 -14.404  -4.307
  265    H    TYR  36           H        TYR  36  -7.327 -22.674  -3.170
  266    HA   TYR  36           HA       TYR  36  -6.379 -24.583  -3.883
  267   1HB   TYR  36          1HB       TYR  36  -4.138 -24.375  -4.545
  268   2HB   TYR  36          2HB       TYR  36  -4.845 -22.774  -4.579
  269    HD1  TYR  36           HD1      TYR  36  -4.135 -21.072  -2.989
  270    HD2  TYR  36           HD2      TYR  36  -2.355 -24.943  -2.960
  271    HE1  TYR  36           HE1      TYR  36  -2.309 -20.190  -1.493
  272    HE2  TYR  36           HE2      TYR  36  -0.511 -24.086  -1.503
  273    HH   TYR  36           HH       TYR  36   0.019 -20.747  -0.968
  274   1HN   NH2  37          1HN       NH2  37  -6.682 -24.509  -0.658
  275   2HN   NH2  37          2HN       NH2  37  -5.713 -25.924  -0.290
  Start of MODEL   19
    1   1H    TYR   1          1H        TYR   1 -25.218  22.965 -13.540
    2   2H    TYR   1          2H        TYR   1 -26.118  23.984 -12.624
    3   3H    TYR   1          3H        TYR   1 -24.844  23.163 -11.947
    4    HA   TYR   1           HA       TYR   1 -27.542  22.367 -12.323
    5   1HB   TYR   1          1HB       TYR   1 -25.404  20.834 -13.726
    6   2HB   TYR   1          2HB       TYR   1 -26.566  19.897 -12.803
    7    HD1  TYR   1           HD1      TYR   1 -25.983  21.005 -16.033
    8    HD2  TYR   1           HD2      TYR   1 -29.135  20.796 -13.072
    9    HE1  TYR   1           HE1      TYR   1 -27.704  20.983 -17.837
   10    HE2  TYR   1           HE2      TYR   1 -30.825  20.802 -14.875
   11    HH   TYR   1           HH       TYR   1 -31.172  20.662 -17.121
   12    HA   PRO   2           HA       PRO   2 -25.770  21.539  -8.190
   13   1HB   PRO   2          1HB       PRO   2 -27.863  22.516  -6.705
   14   2HB   PRO   2          2HB       PRO   2 -26.534  23.508  -7.345
   15   1HG   PRO   2          1HG       PRO   2 -29.350  23.280  -8.339
   16   2HG   PRO   2          2HG       PRO   2 -28.216  24.665  -8.424
   17   1HD   PRO   2          1HD       PRO   2 -28.812  22.806 -10.496
   18   2HD   PRO   2          2HD       PRO   2 -27.497  24.012 -10.497
   19    H    SER   3           H        SER   3 -25.912  19.398  -8.756
   20    HA   SER   3           HA       SER   3 -27.978  17.856  -7.337
   21   1HB   SER   3          1HB       SER   3 -28.175  18.195 -10.192
   22   2HB   SER   3          2HB       SER   3 -27.725  16.516  -9.874
   23    HG   SER   3           HG       SER   3 -29.528  16.350  -8.517
   24    H    LYS   4           H        LYS   4 -25.163  17.656  -9.547
   25    HA   LYS   4           HA       LYS   4 -24.078  15.431  -7.873
   26   1HB   LYS   4          1HB       LYS   4 -24.842  14.989 -10.341
   27   2HB   LYS   4          2HB       LYS   4 -23.326  15.786 -10.774
   28   1HG   LYS   4          1HG       LYS   4 -22.315  14.091  -8.948
   29   2HG   LYS   4          2HG       LYS   4 -23.825  13.233  -9.229
   30   1HD   LYS   4          1HD       LYS   4 -22.657  12.199 -10.900
   31   2HD   LYS   4          2HD       LYS   4 -23.040  13.652 -11.824
   32   1HE   LYS   4          1HE       LYS   4 -20.821  14.493 -10.412
   33   2HE   LYS   4          2HE       LYS   4 -20.465  12.774 -10.525
   34   1HZ   LYS   4          1HZ       LYS   4 -19.559  14.226 -12.318
   35   2HZ   LYS   4          2HZ       LYS   4 -20.452  12.952 -12.897
   36   3HZ   LYS   4          3HZ       LYS   4 -21.085  14.467 -12.880
   37    HA   PRO   5           HA       PRO   5 -21.185  19.002  -7.442
   38   1HB   PRO   5          1HB       PRO   5 -20.569  18.545  -4.764
   39   2HB   PRO   5          2HB       PRO   5 -21.897  19.571  -5.364
   40   1HG   PRO   5          1HG       PRO   5 -22.031  16.839  -4.164
   41   2HG   PRO   5          2HG       PRO   5 -23.269  18.128  -4.207
   42   1HD   PRO   5          1HD       PRO   5 -23.117  15.833  -5.878
   43   2HD   PRO   5          2HD       PRO   5 -24.199  17.239  -6.079
   44    H    ASP   6           H        ASP   6 -18.787  18.960  -6.558
   45    HA   ASP   6           HA       ASP   6 -17.527  16.474  -7.514
   46   1HB   ASP   6          1HB       ASP   6 -15.523  17.755  -7.609
   47   2HB   ASP   6          2HB       ASP   6 -16.797  18.742  -8.315
   48    H    ASN   7           H        ASN   7 -15.473  15.885  -6.184
   49    HA   ASN   7           HA       ASN   7 -15.905  16.168  -3.295
   50   1HB   ASN   7          1HB       ASN   7 -16.635  13.803  -4.650
   51   2HB   ASN   7          2HB       ASN   7 -15.065  13.429  -3.949
   52   1HD2  ASN   7          1HD2      ASN   7 -14.834  13.586  -1.549
   53   2HD2  ASN   7          2HD2      ASN   7 -16.349  13.582  -0.624
   54    HA   PRO   8           HA       PRO   8 -11.476  16.777  -3.793
   55   1HB   PRO   8          1HB       PRO   8 -10.767  17.038  -1.131
   56   2HB   PRO   8          2HB       PRO   8 -11.492  18.323  -2.134
   57   1HG   PRO   8          1HG       PRO   8 -12.777  16.645  -0.028
   58   2HG   PRO   8          2HG       PRO   8 -13.179  18.302  -0.558
   59   1HD   PRO   8          1HD       PRO   8 -14.508  15.917  -1.288
   60   2HD   PRO   8          2HD       PRO   8 -14.708  17.513  -2.063
   61    H    GLY   9           H        GLY   9 -10.730  14.895  -4.591
   62   1HA   GLY   9          1HA       GLY   9  -9.100  13.128  -4.294
   63   2HA   GLY   9          2HA       GLY   9  -9.765  12.801  -2.687
   64    H    GLU  10           H        GLU  10  -9.731  11.715  -5.879
   65    HA   GLU  10           HA       GLU  10 -12.380  10.581  -6.044
   66   1HB   GLU  10          1HB       GLU  10  -9.724  10.141  -7.439
   67   2HB   GLU  10          2HB       GLU  10 -11.084   9.074  -7.762
   68   1HG   GLU  10          1HG       GLU  10 -12.201  10.582  -8.999
   69   2HG   GLU  10          2HG       GLU  10 -11.953  11.882  -7.846
   70    H    ASP  11           H        ASP  11  -9.434   9.510  -4.516
   71    HA   ASP  11           HA       ASP  11 -10.722   7.486  -2.926
   72   1HB   ASP  11          1HB       ASP  11 -10.470   6.299  -5.172
   73   2HB   ASP  11          2HB       ASP  11  -8.734   6.514  -5.046
   74    H    ALA  12           H        ALA  12  -9.711   8.427  -1.124
   75    HA   ALA  12           HA       ALA  12  -8.031   9.045   0.328
   76   1HB   ALA  12          1HB       ALA  12  -7.151   6.541  -1.079
   77   2HB   ALA  12          2HB       ALA  12  -6.036   7.353  -0.008
   78   3HB   ALA  12          3HB       ALA  12  -7.612   6.836   0.619
   79    HA   PRO  13           HA       PRO  13  -5.702  11.705  -2.672
   80   1HB   PRO  13          1HB       PRO  13  -6.183  14.155  -1.533
   81   2HB   PRO  13          2HB       PRO  13  -7.316  13.322  -2.621
   82   1HG   PRO  13          1HG       PRO  13  -7.409  13.534   0.377
   83   2HG   PRO  13          2HG       PRO  13  -8.757  13.531  -0.794
   84   1HD   PRO  13          1HD       PRO  13  -7.846  11.334   0.714
   85   2HD   PRO  13          2HD       PRO  13  -8.891  11.223  -0.733
   86    H    ALA  14           H        ALA  14  -4.154  10.294  -1.539
   87    HA   ALA  14           HA       ALA  14  -1.997  10.071  -0.917
   88   1HB   ALA  14          1HB       ALA  14  -1.885  12.604  -1.679
   89   2HB   ALA  14          2HB       ALA  14  -1.707  12.899   0.062
   90   3HB   ALA  14          3HB       ALA  14  -0.549  11.852  -0.786
   91    H    GLU  15           H        GLU  15  -4.094   9.218   0.856
   92    HA   GLU  15           HA       GLU  15  -2.755   8.875   3.263
   93   1HB   GLU  15          1HB       GLU  15  -4.081  11.397   3.176
   94   2HB   GLU  15          2HB       GLU  15  -5.261  10.344   3.903
   95   1HG   GLU  15          1HG       GLU  15  -3.899  11.429   5.609
   96   2HG   GLU  15          2HG       GLU  15  -3.651   9.684   5.648
   97    H    ASP  16           H        ASP  16  -3.762   7.303   4.321
   98    HA   ASP  16           HA       ASP  16  -5.261   5.605   4.980
   99   1HB   ASP  16          1HB       ASP  16  -7.117   7.299   4.250
  100   2HB   ASP  16          2HB       ASP  16  -7.184   6.332   2.778
  101    H    LEU  17           H        LEU  17  -4.979   6.174   1.481
  102    HA   LEU  17           HA       LEU  17  -5.114   3.650   0.389
  103   1HB   LEU  17          1HB       LEU  17  -4.349   4.506  -1.491
  104   2HB   LEU  17          2HB       LEU  17  -4.622   5.989  -0.665
  105    HG   LEU  17           HG       LEU  17  -2.670   6.284  -1.793
  106   1HD1  LEU  17          1HD1      LEU  17  -2.627   6.659   0.928
  107   2HD1  LEU  17          2HD1      LEU  17  -1.121   5.756   0.664
  108   3HD1  LEU  17          3HD1      LEU  17  -1.418   7.250  -0.208
  109   1HD2  LEU  17          1HD2      LEU  17  -1.036   4.802  -2.290
  110   2HD2  LEU  17          2HD2      LEU  17  -1.072   4.001  -0.707
  111   3HD2  LEU  17          3HD2      LEU  17  -2.310   3.638  -1.910
  112    H    ALA  18           H        ALA  18  -2.558   4.802   2.364
  113    HA   ALA  18           HA       ALA  18  -0.488   2.860   1.929
  114   1HB   ALA  18          1HB       ALA  18   0.285   4.696   3.100
  115   2HB   ALA  18          2HB       ALA  18  -1.228   4.935   3.997
  116   3HB   ALA  18          3HB       ALA  18  -0.103   3.656   4.488
  117    H    GLN  19           H        GLN  19  -3.134   3.068   4.368
  118    HA   GLN  19           HA       GLN  19  -2.555   0.440   5.436
  119   1HB   GLN  19          1HB       GLN  19  -3.965   2.718   6.318
  120   2HB   GLN  19          2HB       GLN  19  -5.214   1.489   6.093
  121   1HG   GLN  19          1HG       GLN  19  -4.170  -0.032   7.588
  122   2HG   GLN  19          2HG       GLN  19  -2.631   0.815   7.550
  123   1HE2  GLN  19          1HE2      GLN  19  -3.685   0.135  10.041
  124   2HE2  GLN  19          2HE2      GLN  19  -4.154   1.681  10.761
  125    H    TYR  20           H        TYR  20  -4.695   1.756   2.977
  126    HA   TYR  20           HA       TYR  20  -6.381  -0.486   2.473
  127   1HB   TYR  20          1HB       TYR  20  -5.242   1.769   0.938
  128   2HB   TYR  20          2HB       TYR  20  -5.807   0.493  -0.049
  129    HD1  TYR  20           HD1      TYR  20  -6.748   3.379   1.907
  130    HD2  TYR  20           HD2      TYR  20  -8.236  -0.274   0.198
  131    HE1  TYR  20           HE1      TYR  20  -9.044   4.289   2.037
  132    HE2  TYR  20           HE2      TYR  20 -10.551   0.621   0.347
  133    HH   TYR  20           HH       TYR  20 -11.832   2.270   1.355
  134    H    ALA  21           H        ALA  21  -3.101   0.227   1.166
  135    HA   ALA  21           HA       ALA  21  -2.828  -2.292  -0.198
  136   1HB   ALA  21          1HB       ALA  21  -0.799  -0.261   0.790
  137   2HB   ALA  21          2HB       ALA  21  -0.338  -1.750  -0.061
  138   3HB   ALA  21          3HB       ALA  21  -1.374  -0.558  -0.867
  139    H    ALA  22           H        ALA  22  -2.407  -1.494   3.192
  140    HA   ALA  22           HA       ALA  22  -0.946  -3.925   3.924
  141   1HB   ALA  22          1HB       ALA  22  -1.767  -3.096   6.289
  142   2HB   ALA  22          2HB       ALA  22  -0.470  -2.228   5.420
  143   3HB   ALA  22          3HB       ALA  22  -2.129  -1.604   5.425
  144    H    ASP  23           H        ASP  23  -4.362  -2.756   4.376
  145    HA   ASP  23           HA       ASP  23  -5.349  -5.133   5.517
  146   1HB   ASP  23          1HB       ASP  23  -6.472  -2.685   4.741
  147   2HB   ASP  23          2HB       ASP  23  -7.236  -3.823   3.644
  148    H    LEU  24           H        LEU  24  -5.125  -4.178   2.088
  149    HA   LEU  24           HA       LEU  24  -6.136  -6.661   0.995
  150   1HB   LEU  24          1HB       LEU  24  -4.434  -4.404  -0.077
  151   2HB   LEU  24          2HB       LEU  24  -4.738  -5.830  -1.050
  152    HG   LEU  24           HG       LEU  24  -7.233  -4.848   0.159
  153   1HD1  LEU  24          1HD1      LEU  24  -6.877  -2.643  -0.027
  154   2HD1  LEU  24          2HD1      LEU  24  -5.537  -2.804  -1.183
  155   3HD1  LEU  24          3HD1      LEU  24  -7.222  -2.901  -1.734
  156   1HD2  LEU  24          1HD2      LEU  24  -8.172  -5.377  -1.857
  157   2HD2  LEU  24          2HD2      LEU  24  -6.745  -4.924  -2.800
  158   3HD2  LEU  24          3HD2      LEU  24  -6.766  -6.447  -1.885
  159    H    ARG  25           H        ARG  25  -2.816  -5.638   1.840
  160    HA   ARG  25           HA       ARG  25  -1.487  -8.052   1.044
  161   1HB   ARG  25          1HB       ARG  25  -0.884  -5.649   2.677
  162   2HB   ARG  25          2HB       ARG  25  -0.105  -7.027   3.310
  163   1HG   ARG  25          1HG       ARG  25   0.123  -6.795   0.338
  164   2HG   ARG  25          2HG       ARG  25   0.834  -5.449   1.221
  165   1HD   ARG  25          1HD       ARG  25   2.522  -6.671   2.067
  166   2HD   ARG  25          2HD       ARG  25   1.503  -8.074   2.431
  167    HE   ARG  25           HE       ARG  25   1.738  -8.058  -0.333
  168   1HH1  ARG  25          1HH1      ARG  25   3.976  -8.297   2.340
  169   2HH1  ARG  25          2HH1      ARG  25   5.114  -9.292   1.485
  170   1HH2  ARG  25          1HH2      ARG  25   3.196  -9.366  -1.425
  171   2HH2  ARG  25          2HH2      ARG  25   4.652  -9.890  -0.618
  172    H    HIS  26           H        HIS  26  -3.177  -7.256   4.024
  173    HA   HIS  26           HA       HIS  26  -2.397  -9.728   5.363
  174   1HB   HIS  26          1HB       HIS  26  -3.061  -7.520   6.466
  175   2HB   HIS  26          2HB       HIS  26  -4.729  -7.905   6.046
  176    HD2  HIS  26           HD2      HIS  26  -5.944  -9.798   7.494
  177    HE1  HIS  26           HE1      HIS  26  -2.732 -10.748  10.115
  178    H    TYR  27           H        TYR  27  -5.448  -8.556   3.847
  179    HA   TYR  27           HA       TYR  27  -6.982 -10.888   4.009
  180   1HB   TYR  27          1HB       TYR  27  -7.081  -8.396   2.521
  181   2HB   TYR  27          2HB       TYR  27  -7.460  -9.706   1.443
  182    HD1  TYR  27           HD1      TYR  27  -9.676 -10.447   1.321
  183    HD2  TYR  27           HD2      TYR  27  -8.276  -8.509   4.913
  184    HE1  TYR  27           HE1      TYR  27 -12.004 -10.394   2.195
  185    HE2  TYR  27           HE2      TYR  27 -10.610  -8.493   5.807
  186    HH   TYR  27           HH       TYR  27 -13.235  -8.792   3.896
  187    H    ILE  28           H        ILE  28  -4.673 -10.014   1.350
  188    HA   ILE  28           HA       ILE  28  -5.094 -12.399  -0.115
  189    HB   ILE  28           HB       ILE  28  -3.534 -10.147  -0.342
  190   2HG1  ILE  28          2HG1      ILE  28  -4.789 -11.455  -2.066
  191   1HG2  ILE  28          1HG2      ILE  28  -1.255 -10.812  -0.908
  192   2HG2  ILE  28          2HG2      ILE  28  -1.609 -11.028   0.791
  193   3HG2  ILE  28          3HG2      ILE  28  -1.565 -12.443  -0.295
  194   1HD1  ILE  28          1HD1      ILE  28  -2.058 -10.646  -3.078
  195   2HD1  ILE  28          2HD1      ILE  28  -3.646 -10.477  -3.855
  196   3HD1  ILE  28          3HD1      ILE  28  -3.228  -9.444  -2.478
  197    H    ASN  29           H        ASN  29  -2.739 -11.777   2.479
  198    HA   ASN  29           HA       ASN  29  -1.636 -14.429   2.554
  199   1HB   ASN  29          1HB       ASN  29  -1.241 -11.927   3.920
  200   2HB   ASN  29          2HB       ASN  29  -1.549 -13.135   5.154
  201   1HD2  ASN  29          1HD2      ASN  29   0.794 -11.878   2.986
  202   2HD2  ASN  29          2HD2      ASN  29   1.985 -13.135   3.402
  203    H    LEU  30           H        LEU  30  -4.566 -13.106   3.882
  204    HA   LEU  30           HA       LEU  30  -5.129 -15.452   5.512
  205   1HB   LEU  30          1HB       LEU  30  -6.614 -12.938   4.788
  206   2HB   LEU  30          2HB       LEU  30  -7.528 -14.303   5.425
  207    HG   LEU  30           HG       LEU  30  -5.125 -13.044   6.805
  208   1HD1  LEU  30          1HD1      LEU  30  -6.753 -11.997   8.286
  209   2HD1  LEU  30          2HD1      LEU  30  -7.126 -11.541   6.607
  210   3HD1  LEU  30          3HD1      LEU  30  -8.100 -12.770   7.431
  211   1HD2  LEU  30          1HD2      LEU  30  -5.311 -14.609   8.441
  212   2HD2  LEU  30          2HD2      LEU  30  -7.082 -14.602   8.422
  213   3HD2  LEU  30          3HD2      LEU  30  -6.203 -15.585   7.258
  214    H    ILE  31           H        ILE  31  -6.688 -14.144   2.548
  215    HA   ILE  31           HA       ILE  31  -8.327 -16.328   1.956
  216    HB   ILE  31           HB       ILE  31  -6.955 -14.380   0.096
  217   2HG1  ILE  31          2HG1      ILE  31  -8.970 -13.114   0.150
  218   1HG2  ILE  31          1HG2      ILE  31  -9.142 -16.421  -0.409
  219   2HG2  ILE  31          2HG2      ILE  31  -8.803 -15.058  -1.505
  220   3HG2  ILE  31          3HG2      ILE  31  -7.565 -16.288  -1.226
  221   1HD1  ILE  31          1HD1      ILE  31 -10.764 -14.756   0.192
  222   2HD1  ILE  31          2HD1      ILE  31 -10.286 -15.299   1.820
  223   3HD1  ILE  31          3HD1      ILE  31 -10.935 -13.669   1.578
  224    H    THR  32           H        THR  32  -4.902 -15.868   1.026
  225    HA   THR  32           HA       THR  32  -4.498 -18.247  -0.462
  226    HB   THR  32           HB       THR  32  -2.087 -18.042   0.408
  227    HG1  THR  32           HG1      THR  32  -3.066 -15.603   1.396
  228   1HG2  THR  32          1HG2      THR  32  -1.855 -15.601  -0.547
  229   2HG2  THR  32          2HG2      THR  32  -2.364 -16.898  -1.628
  230   3HG2  THR  32          3HG2      THR  32  -3.560 -15.779  -0.993
  231    H    ARG  33           H        ARG  33  -4.428 -17.882   3.121
  232    HA   ARG  33           HA       ARG  33  -3.934 -20.759   3.489
  233   1HB   ARG  33          1HB       ARG  33  -3.900 -20.346   5.849
  234   2HB   ARG  33          2HB       ARG  33  -2.897 -19.134   5.045
  235   1HG   ARG  33          1HG       ARG  33  -4.377 -17.414   5.483
  236   2HG   ARG  33          2HG       ARG  33  -5.772 -18.479   5.653
  237   1HD   ARG  33          1HD       ARG  33  -4.075 -19.161   7.801
  238   2HD   ARG  33          2HD       ARG  33  -4.003 -17.400   7.669
  239    HE   ARG  33           HE       ARG  33  -6.185 -17.261   8.404
  240   1HH1  ARG  33          1HH1      ARG  33  -5.849 -20.532   7.150
  241   2HH1  ARG  33          2HH1      ARG  33  -7.248 -21.117   7.969
  242   1HH2  ARG  33          1HH2      ARG  33  -8.180 -18.007   9.192
  243   2HH2  ARG  33          2HH2      ARG  33  -8.642 -19.652   8.877
  244    H    GLN  34           H        GLN  34  -6.529 -19.685   2.220
  245    HA   GLN  34           HA       GLN  34  -8.321 -21.666   3.407
  246   1HB   GLN  34          1HB       GLN  34 -10.116 -20.092   4.007
  247   2HB   GLN  34          2HB       GLN  34  -8.663 -19.849   4.960
  248   1HG   GLN  34          1HG       GLN  34  -8.107 -18.044   3.165
  249   2HG   GLN  34          2HG       GLN  34  -9.797 -18.102   2.741
  250   1HE2  GLN  34          1HE2      GLN  34  -7.771 -17.950   5.730
  251   2HE2  GLN  34          2HE2      GLN  34  -8.753 -16.645   6.447
  252    H    ARG  35           H        ARG  35  -7.150 -21.364   0.802
  253    HA   ARG  35           HA       ARG  35  -9.639 -21.314  -0.795
  254   1HB   ARG  35          1HB       ARG  35  -8.337 -19.065  -0.795
  255   2HB   ARG  35          2HB       ARG  35  -7.183 -19.841  -1.848
  256   1HG   ARG  35          1HG       ARG  35  -8.654 -19.687  -3.632
  257   2HG   ARG  35          2HG       ARG  35 -10.033 -20.244  -2.668
  258   1HD   ARG  35          1HD       ARG  35 -10.183 -18.022  -1.581
  259   2HD   ARG  35          2HD       ARG  35  -8.851 -17.449  -2.601
  260    HE   ARG  35           HE       ARG  35 -11.631 -17.736  -3.311
  261   1HH1  ARG  35          1HH1      ARG  35  -8.388 -17.586  -4.625
  262   2HH1  ARG  35          2HH1      ARG  35  -8.894 -17.223  -6.248
  263   1HH2  ARG  35          1HH2      ARG  35 -12.274 -17.172  -5.380
  264   2HH2  ARG  35          2HH2      ARG  35 -11.085 -16.951  -6.643
  265    H    TYR  36           H        TYR  36  -7.679 -21.405  -3.164
  266    HA   TYR  36           HA       TYR  36  -7.593 -23.997  -3.987
  267   1HB   TYR  36          1HB       TYR  36  -5.736 -23.306  -5.402
  268   2HB   TYR  36          2HB       TYR  36  -6.926 -22.021  -5.304
  269    HD1  TYR  36           HD1      TYR  36  -3.522 -23.091  -4.358
  270    HD2  TYR  36           HD2      TYR  36  -6.382 -19.868  -4.157
  271    HE1  TYR  36           HE1      TYR  36  -1.759 -21.579  -3.497
  272    HE2  TYR  36           HE2      TYR  36  -4.610 -18.355  -3.270
  273    HH   TYR  36           HH       TYR  36  -1.352 -19.562  -2.510
  274   1HN   NH2  37          1HN       NH2  37  -5.179 -22.570  -1.673
  275   2HN   NH2  37          2HN       NH2  37  -4.519 -24.166  -1.291
  Start of MODEL   20
    1   1H    TYR   1          1H        TYR   1 -21.094  17.922  13.937
    2   2H    TYR   1          2H        TYR   1 -19.527  17.565  13.607
    3   3H    TYR   1          3H        TYR   1 -20.130  17.233  15.102
    4    HA   TYR   1           HA       TYR   1 -20.201  19.434  15.720
    5   1HB   TYR   1          1HB       TYR   1 -17.732  19.142  13.952
    6   2HB   TYR   1          2HB       TYR   1 -17.920  20.256  15.289
    7    HD1  TYR   1           HD1      TYR   1 -17.653  19.556  17.596
    8    HD2  TYR   1           HD2      TYR   1 -17.536  16.645  14.388
    9    HE1  TYR   1           HE1      TYR   1 -16.735  17.845  19.148
   10    HE2  TYR   1           HE2      TYR   1 -16.673  14.944  15.974
   11    HH   TYR   1           HH       TYR   1 -15.654  14.657  18.058
   12    HA   PRO   2           HA       PRO   2 -21.577  22.321  12.580
   13   1HB   PRO   2          1HB       PRO   2 -21.075  24.723  13.866
   14   2HB   PRO   2          2HB       PRO   2 -22.447  23.657  14.256
   15   1HG   PRO   2          1HG       PRO   2 -19.912  24.086  15.776
   16   2HG   PRO   2          2HG       PRO   2 -21.524  23.596  16.371
   17   1HD   PRO   2          1HD       PRO   2 -19.277  21.929  15.854
   18   2HD   PRO   2          2HD       PRO   2 -20.933  21.386  16.244
   19    H    SER   3           H        SER   3 -20.754  24.047  11.225
   20    HA   SER   3           HA       SER   3 -19.291  24.736   9.650
   21   1HB   SER   3          1HB       SER   3 -18.625  26.208  11.598
   22   2HB   SER   3          2HB       SER   3 -17.260  25.108  11.852
   23    HG   SER   3           HG       SER   3 -17.827  26.570   9.444
   24    H    LYS   4           H        LYS   4 -19.068  22.913   8.425
   25    HA   LYS   4           HA       LYS   4 -16.638  21.227   8.904
   26   1HB   LYS   4          1HB       LYS   4 -19.288  20.491   7.632
   27   2HB   LYS   4          2HB       LYS   4 -17.819  19.497   7.584
   28   1HG   LYS   4          1HG       LYS   4 -17.729  19.494  10.066
   29   2HG   LYS   4          2HG       LYS   4 -19.230  20.421  10.136
   30   1HD   LYS   4          1HD       LYS   4 -20.551  18.633   9.666
   31   2HD   LYS   4          2HD       LYS   4 -19.413  17.956   8.483
   32   1HE   LYS   4          1HE       LYS   4 -17.950  17.161  10.272
   33   2HE   LYS   4          2HE       LYS   4 -19.034  17.829  11.502
   34   1HZ   LYS   4          1HZ       LYS   4 -20.121  15.961   9.516
   35   2HZ   LYS   4          2HZ       LYS   4 -19.223  15.306  10.718
   36   3HZ   LYS   4          3HZ       LYS   4 -20.593  16.176  11.066
   37    HA   PRO   5           HA       PRO   5 -15.736  23.568   5.056
   38   1HB   PRO   5          1HB       PRO   5 -13.140  24.241   5.646
   39   2HB   PRO   5          2HB       PRO   5 -14.559  25.182   6.164
   40   1HG   PRO   5          1HG       PRO   5 -12.861  23.319   7.796
   41   2HG   PRO   5          2HG       PRO   5 -13.720  24.812   8.287
   42   1HD   PRO   5          1HD       PRO   5 -14.620  22.161   8.669
   43   2HD   PRO   5          2HD       PRO   5 -15.582  23.666   8.807
   44    H    ASP   6           H        ASP   6 -16.192  21.144   4.711
   45    HA   ASP   6           HA       ASP   6 -14.097  19.223   4.440
   46   1HB   ASP   6          1HB       ASP   6 -16.715  19.608   2.934
   47   2HB   ASP   6          2HB       ASP   6 -15.607  18.287   2.588
   48    H    ASN   7           H        ASN   7 -12.469  18.986   2.993
   49    HA   ASN   7           HA       ASN   7 -12.608  20.219   0.380
   50   1HB   ASN   7          1HB       ASN   7 -10.436  21.464   0.713
   51   2HB   ASN   7          2HB       ASN   7 -11.819  22.104   1.593
   52   1HD2  ASN   7          1HD2      ASN   7 -10.450  23.252   3.062
   53   2HD2  ASN   7          2HD2      ASN   7  -9.518  22.330   4.240
   54    HA   PRO   8           HA       PRO   8  -9.879  16.733  -0.346
   55   1HB   PRO   8          1HB       PRO   8  -8.637  17.484  -2.703
   56   2HB   PRO   8          2HB       PRO   8 -10.302  16.851  -2.592
   57   1HG   PRO   8          1HG       PRO   8  -9.398  19.657  -3.053
   58   2HG   PRO   8          2HG       PRO   8 -10.920  18.859  -3.531
   59   1HD   PRO   8          1HD       PRO   8 -10.481  20.581  -1.302
   60   2HD   PRO   8          2HD       PRO   8 -11.961  19.653  -1.663
   61    H    GLY   9           H        GLY   9  -7.534  16.257  -0.698
   62   1HA   GLY   9          1HA       GLY   9  -5.516  18.251  -0.261
   63   2HA   GLY   9          2HA       GLY   9  -5.898  17.418   1.260
   64    H    GLU  10           H        GLU  10  -5.920  15.019   1.148
   65    HA   GLU  10           HA       GLU  10  -4.903  13.022   0.882
   66   1HB   GLU  10          1HB       GLU  10  -5.091  14.009  -1.864
   67   2HB   GLU  10          2HB       GLU  10  -3.663  13.008  -1.652
   68   1HG   GLU  10          1HG       GLU  10  -4.953  11.131  -0.975
   69   2HG   GLU  10          2HG       GLU  10  -6.401  12.112  -0.693
   70    H    ASP  11           H        ASP  11  -2.836  15.505  -0.535
   71    HA   ASP  11           HA       ASP  11  -0.696  16.210  -0.142
   72   1HB   ASP  11          1HB       ASP  11  -1.519  15.491   2.395
   73   2HB   ASP  11          2HB       ASP  11  -0.132  14.439   2.197
   74    H    ALA  12           H        ALA  12  -0.855  12.771   0.749
   75    HA   ALA  12           HA       ALA  12   0.622  11.865  -1.562
   76   1HB   ALA  12          1HB       ALA  12   2.679  12.216  -0.658
   77   2HB   ALA  12          2HB       ALA  12   2.040  12.479   0.973
   78   3HB   ALA  12          3HB       ALA  12   2.331  10.835   0.409
   79    HA   PRO  13           HA       PRO  13  -1.441   8.099  -0.436
   80   1HB   PRO  13          1HB       PRO  13   0.218   6.122  -1.403
   81   2HB   PRO  13          2HB       PRO  13  -0.804   7.187  -2.410
   82   1HG   PRO  13          1HG       PRO  13   2.150   7.294  -1.939
   83   2HG   PRO  13          2HG       PRO  13   1.212   7.779  -3.381
   84   1HD   PRO  13          1HD       PRO  13   2.225   9.479  -1.374
   85   2HD   PRO  13          2HD       PRO  13   1.010   9.921  -2.608
   86    H    ALA  14           H        ALA  14  -1.146   8.670   1.835
   87    HA   ALA  14           HA       ALA  14  -0.066   6.390   3.289
   88   1HB   ALA  14          1HB       ALA  14   1.626   7.424   4.432
   89   2HB   ALA  14          2HB       ALA  14   1.685   8.489   3.024
   90   3HB   ALA  14          3HB       ALA  14   0.801   9.003   4.471
   91    H    GLU  15           H        GLU  15  -0.795   6.546   5.629
   92    HA   GLU  15           HA       GLU  15  -2.448   6.563   7.123
   93   1HB   GLU  15          1HB       GLU  15  -1.667   8.965   7.102
   94   2HB   GLU  15          2HB       GLU  15  -3.074   9.351   6.131
   95   1HG   GLU  15          1HG       GLU  15  -3.803   7.845   8.567
   96   2HG   GLU  15          2HG       GLU  15  -2.797   9.226   8.966
   97    H    ASP  16           H        ASP  16  -3.268   6.637   4.039
   98    HA   ASP  16           HA       ASP  16  -6.053   5.634   4.463
   99   1HB   ASP  16          1HB       ASP  16  -5.382   8.130   3.324
  100   2HB   ASP  16          2HB       ASP  16  -5.607   7.126   1.923
  101    H    LEU  17           H        LEU  17  -3.891   6.087   1.633
  102    HA   LEU  17           HA       LEU  17  -4.467   3.559   0.476
  103   1HB   LEU  17          1HB       LEU  17  -3.626   5.287  -0.883
  104   2HB   LEU  17          2HB       LEU  17  -2.136   5.473   0.048
  105    HG   LEU  17           HG       LEU  17  -2.848   2.905  -1.440
  106   1HD1  LEU  17          1HD1      LEU  17  -2.061   3.641  -3.410
  107   2HD1  LEU  17          2HD1      LEU  17  -2.496   5.243  -2.800
  108   3HD1  LEU  17          3HD1      LEU  17  -0.824   4.670  -2.701
  109   1HD2  LEU  17          1HD2      LEU  17  -0.165   2.879  -1.520
  110   2HD2  LEU  17          2HD2      LEU  17  -0.343   3.903  -0.082
  111   3HD2  LEU  17          3HD2      LEU  17  -1.019   2.259  -0.143
  112    H    ALA  18           H        ALA  18  -1.620   4.522   2.474
  113    HA   ALA  18           HA       ALA  18  -0.234   2.107   2.294
  114   1HB   ALA  18          1HB       ALA  18   0.581   4.215   3.395
  115   2HB   ALA  18          2HB       ALA  18  -0.422   3.814   4.815
  116   3HB   ALA  18          3HB       ALA  18   0.909   2.743   4.325
  117    H    GLN  19           H        GLN  19  -2.880   2.929   4.490
  118    HA   GLN  19           HA       GLN  19  -2.974   0.421   5.896
  119   1HB   GLN  19          1HB       GLN  19  -3.992   2.990   6.244
  120   2HB   GLN  19          2HB       GLN  19  -5.431   2.113   5.766
  121   1HG   GLN  19          1HG       GLN  19  -3.548   1.075   7.942
  122   2HG   GLN  19          2HG       GLN  19  -4.770   2.297   8.289
  123   1HE2  GLN  19          1HE2      GLN  19  -4.578  -0.613   9.295
  124   2HE2  GLN  19          2HE2      GLN  19  -6.143  -1.229   8.699
  125    H    TYR  20           H        TYR  20  -4.833   1.786   3.114
  126    HA   TYR  20           HA       TYR  20  -6.571  -0.399   2.664
  127   1HB   TYR  20          1HB       TYR  20  -6.749   1.850   1.654
  128   2HB   TYR  20          2HB       TYR  20  -5.295   1.563   0.723
  129    HD1  TYR  20           HD1      TYR  20  -8.644   0.002   1.327
  130    HD2  TYR  20           HD2      TYR  20  -5.510   0.882  -1.504
  131    HE1  TYR  20           HE1      TYR  20 -10.011  -0.987  -0.490
  132    HE2  TYR  20           HE2      TYR  20  -6.881  -0.095  -3.330
  133    HH   TYR  20           HH       TYR  20  -9.955  -1.737  -2.635
  134    H    ALA  21           H        ALA  21  -3.421   0.295   1.161
  135    HA   ALA  21           HA       ALA  21  -3.205  -2.070  -0.415
  136   1HB   ALA  21          1HB       ALA  21  -0.950  -1.425  -0.772
  137   2HB   ALA  21          2HB       ALA  21  -1.826   0.097  -0.557
  138   3HB   ALA  21          3HB       ALA  21  -0.851  -0.560   0.777
  139    H    ALA  22           H        ALA  22  -2.501  -1.423   2.982
  140    HA   ALA  22           HA       ALA  22  -1.122  -3.925   3.528
  141   1HB   ALA  22          1HB       ALA  22  -2.498  -2.212   5.621
  142   2HB   ALA  22          2HB       ALA  22  -1.085  -3.267   5.778
  143   3HB   ALA  22          3HB       ALA  22  -0.934  -1.741   4.906
  144    H    ASP  23           H        ASP  23  -4.488  -2.713   4.220
  145    HA   ASP  23           HA       ASP  23  -5.599  -5.095   5.241
  146   1HB   ASP  23          1HB       ASP  23  -6.619  -2.626   3.919
  147   2HB   ASP  23          2HB       ASP  23  -7.599  -4.038   3.609
  148    H    LEU  24           H        LEU  24  -5.222  -4.052   1.842
  149    HA   LEU  24           HA       LEU  24  -6.338  -6.519   0.794
  150   1HB   LEU  24          1HB       LEU  24  -4.570  -4.414  -0.528
  151   2HB   LEU  24          2HB       LEU  24  -5.334  -5.770  -1.354
  152    HG   LEU  24           HG       LEU  24  -6.598  -3.262  -0.248
  153   1HD1  LEU  24          1HD1      LEU  24  -7.928  -3.624  -2.443
  154   2HD1  LEU  24          2HD1      LEU  24  -6.242  -3.110  -2.530
  155   3HD1  LEU  24          3HD1      LEU  24  -6.676  -4.805  -2.838
  156   1HD2  LEU  24          1HD2      LEU  24  -8.871  -4.241  -0.475
  157   2HD2  LEU  24          2HD2      LEU  24  -8.128  -5.862  -0.544
  158   3HD2  LEU  24          3HD2      LEU  24  -7.970  -4.834   0.906
  159    H    ARG  25           H        ARG  25  -2.968  -5.554   1.429
  160    HA   ARG  25           HA       ARG  25  -1.777  -8.049   0.617
  161   1HB   ARG  25          1HB       ARG  25  -0.972  -5.586   2.086
  162   2HB   ARG  25          2HB       ARG  25  -0.166  -6.977   2.678
  163   1HG   ARG  25          1HG       ARG  25  -0.219  -6.858  -0.298
  164   2HG   ARG  25          2HG       ARG  25   0.578  -5.483   0.443
  165   1HD   ARG  25          1HD       ARG  25   2.126  -6.862   1.638
  166   2HD   ARG  25          2HD       ARG  25   1.221  -8.334   1.293
  167    HE   ARG  25           HE       ARG  25   3.107  -6.950  -0.468
  168   1HH1  ARG  25          1HH1      ARG  25   0.578  -9.336  -0.352
  169   2HH1  ARG  25          2HH1      ARG  25   0.983 -10.030  -1.900
  170   1HH2  ARG  25          1HH2      ARG  25   3.642  -7.858  -2.445
  171   2HH2  ARG  25          2HH2      ARG  25   2.744  -9.204  -3.061
  172    H    HIS  26           H        HIS  26  -3.365  -7.125   3.586
  173    HA   HIS  26           HA       HIS  26  -2.520  -9.453   5.101
  174   1HB   HIS  26          1HB       HIS  26  -3.137  -7.307   6.149
  175   2HB   HIS  26          2HB       HIS  26  -4.779  -7.466   5.569
  176    HD2  HIS  26           HD2      HIS  26  -6.337  -9.391   6.752
  177    HE1  HIS  26           HE1      HIS  26  -3.694 -10.261   9.956
  178    H    TYR  27           H        TYR  27  -5.623  -8.441   3.567
  179    HA   TYR  27           HA       TYR  27  -7.133 -10.743   3.959
  180   1HB   TYR  27          1HB       TYR  27  -7.435  -8.385   2.496
  181   2HB   TYR  27          2HB       TYR  27  -7.398  -9.590   1.236
  182    HD1  TYR  27           HD1      TYR  27  -9.131  -8.380   4.258
  183    HD2  TYR  27           HD2      TYR  27  -9.259 -11.199   0.989
  184    HE1  TYR  27           HE1      TYR  27 -11.548  -8.833   4.728
  185    HE2  TYR  27           HE2      TYR  27 -11.664 -11.634   1.462
  186    HH   TYR  27           HH       TYR  27 -13.238 -11.426   3.627
  187    H    ILE  28           H        ILE  28  -4.873 -10.089   1.220
  188    HA   ILE  28           HA       ILE  28  -5.230 -12.597  -0.006
  189    HB   ILE  28           HB       ILE  28  -3.809 -10.316  -0.526
  190   2HG1  ILE  28          2HG1      ILE  28  -4.894 -12.236  -2.044
  191   1HG2  ILE  28          1HG2      ILE  28  -1.700 -12.494  -0.286
  192   2HG2  ILE  28          2HG2      ILE  28  -1.493 -10.944  -1.115
  193   3HG2  ILE  28          3HG2      ILE  28  -1.775 -10.962   0.624
  194   1HD1  ILE  28          1HD1      ILE  28  -3.550 -11.223  -4.010
  195   2HD1  ILE  28          2HD1      ILE  28  -4.597 -10.161  -3.044
  196   3HD1  ILE  28          3HD1      ILE  28  -2.841 -10.142  -2.787
  197    H    ASN  29           H        ASN  29  -2.848 -11.679   2.431
  198    HA   ASN  29           HA       ASN  29  -1.468 -14.154   2.637
  199   1HB   ASN  29          1HB       ASN  29  -1.544 -11.616   4.047
  200   2HB   ASN  29          2HB       ASN  29  -1.634 -12.897   5.240
  201   1HD2  ASN  29          1HD2      ASN  29   0.573 -10.961   4.633
  202   2HD2  ASN  29          2HD2      ASN  29   1.921 -12.088   4.415
  203    H    LEU  30           H        LEU  30  -4.310 -12.941   4.391
  204    HA   LEU  30           HA       LEU  30  -4.828 -15.327   5.892
  205   1HB   LEU  30          1HB       LEU  30  -6.102 -12.707   5.414
  206   2HB   LEU  30          2HB       LEU  30  -7.293 -13.981   5.526
  207    HG   LEU  30           HG       LEU  30  -5.156 -13.358   7.603
  208   1HD1  LEU  30          1HD1      LEU  30  -6.831 -12.373   8.882
  209   2HD1  LEU  30          2HD1      LEU  30  -7.242 -11.819   7.260
  210   3HD1  LEU  30          3HD1      LEU  30  -8.157 -13.158   7.990
  211   1HD2  LEU  30          1HD2      LEU  30  -5.453 -15.582   8.106
  212   2HD2  LEU  30          2HD2      LEU  30  -6.934 -15.007   8.884
  213   3HD2  LEU  30          3HD2      LEU  30  -7.006 -15.694   7.257
  214    H    ILE  31           H        ILE  31  -6.025 -14.248   2.694
  215    HA   ILE  31           HA       ILE  31  -7.772 -16.469   2.240
  216    HB   ILE  31           HB       ILE  31  -6.299 -14.536   0.442
  217   2HG1  ILE  31          2HG1      ILE  31  -8.557 -13.879  -0.249
  218   1HG2  ILE  31          1HG2      ILE  31  -7.679 -15.612  -1.491
  219   2HG2  ILE  31          2HG2      ILE  31  -6.112 -16.289  -1.030
  220   3HG2  ILE  31          3HG2      ILE  31  -7.616 -17.075  -0.493
  221   1HD1  ILE  31          1HD1      ILE  31  -9.818 -15.260   2.085
  222   2HD1  ILE  31          2HD1      ILE  31 -10.532 -14.763   0.538
  223   3HD1  ILE  31          3HD1      ILE  31  -9.575 -16.255   0.632
  224    H    THR  32           H        THR  32  -4.266 -16.057   1.454
  225    HA   THR  32           HA       THR  32  -4.000 -18.681   0.489
  226    HB   THR  32           HB       THR  32  -1.529 -18.417   1.408
  227    HG1  THR  32           HG1      THR  32  -2.259 -16.395   2.628
  228   1HG2  THR  32          1HG2      THR  32  -2.597 -16.540  -0.740
  229   2HG2  THR  32          2HG2      THR  32  -0.939 -17.160  -0.583
  230   3HG2  THR  32          3HG2      THR  32  -2.266 -18.277  -0.991
  231    H    ARG  33           H        ARG  33  -4.501 -17.714   3.725
  232    HA   ARG  33           HA       ARG  33  -3.518 -20.126   4.979
  233   1HB   ARG  33          1HB       ARG  33  -4.128 -17.699   5.983
  234   2HB   ARG  33          2HB       ARG  33  -5.724 -18.460   6.155
  235   1HG   ARG  33          1HG       ARG  33  -4.347 -20.395   7.316
  236   2HG   ARG  33          2HG       ARG  33  -3.101 -19.167   7.498
  237   1HD   ARG  33          1HD       ARG  33  -4.392 -17.889   8.970
  238   2HD   ARG  33          2HD       ARG  33  -5.932 -18.439   8.300
  239    HE   ARG  33           HE       ARG  33  -4.378 -19.735  10.394
  240   1HH1  ARG  33          1HH1      ARG  33  -6.801 -20.321   7.928
  241   2HH1  ARG  33          2HH1      ARG  33  -7.497 -21.686   8.749
  242   1HH2  ARG  33          1HH2      ARG  33  -5.289 -21.518  11.421
  243   2HH2  ARG  33          2HH2      ARG  33  -6.667 -22.319  10.713
  244    H    GLN  34           H        GLN  34  -6.002 -19.739   2.946
  245    HA   GLN  34           HA       GLN  34  -7.210 -22.381   3.607
  246   1HB   GLN  34          1HB       GLN  34  -8.661 -19.732   3.648
  247   2HB   GLN  34          2HB       GLN  34  -9.520 -21.127   3.048
  248   1HG   GLN  34          1HG       GLN  34  -8.203 -21.929   5.487
  249   2HG   GLN  34          2HG       GLN  34  -8.975 -20.384   5.788
  250   1HE2  GLN  34          1HE2      GLN  34  -9.703 -22.726   7.165
  251   2HE2  GLN  34          2HE2      GLN  34 -11.280 -23.223   6.572
  252    H    ARG  35           H        ARG  35  -5.559 -20.894   1.313
  253    HA   ARG  35           HA       ARG  35  -6.630 -22.499  -0.805
  254   1HB   ARG  35          1HB       ARG  35  -7.864 -19.983  -0.473
  255   2HB   ARG  35          2HB       ARG  35  -6.668 -19.633  -1.678
  256   1HG   ARG  35          1HG       ARG  35  -8.519 -22.067  -1.939
  257   2HG   ARG  35          2HG       ARG  35  -9.032 -20.456  -2.419
  258   1HD   ARG  35          1HD       ARG  35  -6.512 -20.718  -3.659
  259   2HD   ARG  35          2HD       ARG  35  -7.203 -22.333  -3.778
  260    HE   ARG  35           HE       ARG  35  -8.838 -21.490  -5.258
  261   1HH1  ARG  35          1HH1      ARG  35  -7.254 -18.775  -3.739
  262   2HH1  ARG  35          2HH1      ARG  35  -8.079 -17.588  -4.717
  263   1HH2  ARG  35          1HH2      ARG  35  -9.755 -20.034  -6.588
  264   2HH2  ARG  35          2HH2      ARG  35  -9.548 -18.316  -6.296
  265    H    TYR  36           H        TYR  36  -5.370 -22.257  -2.779
  266    HA   TYR  36           HA       TYR  36  -2.907 -20.837  -3.041
  267   1HB   TYR  36          1HB       TYR  36  -1.485 -23.035  -2.630
  268   2HB   TYR  36          2HB       TYR  36  -1.855 -21.932  -1.324
  269    HD1  TYR  36           HD1      TYR  36  -2.931 -22.678   0.667
  270    HD2  TYR  36           HD2      TYR  36  -3.028 -25.137  -2.878
  271    HE1  TYR  36           HE1      TYR  36  -4.115 -24.452   1.932
  272    HE2  TYR  36           HE2      TYR  36  -4.264 -26.900  -1.603
  273    HH   TYR  36           HH       TYR  36  -4.553 -26.881   1.815
  274   1HN   NH2  37          1HN       NH2  37  -4.657 -23.952  -3.728
  275   2HN   NH2  37          2HN       NH2  37  -4.347 -23.806  -5.462