*HEADER    ISOMERASE                               20-MAR-16   2NC4              
*TITLE     SOLUTION STRUCTURE OF N-GALACTOSYLATED PIN1 WW DOMAIN                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PIN1 WW DOMAIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ENHANCED AROMATIC SEQUON, ISOMERASE                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.HSU, S.PARK, D.E.MORTENSON, B.FOLEY, X.WANG, R.J.WOODS, D.A.CASE,   
*AUTHOR   2 E.T.POWERS, C.WONG, H.DYSON, J.W.KELLY                               
*REVDAT   1   08-JUN-16 2NC4    0                                                


#
# 1       LYS HA 2 LEU H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 6, 26, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
      rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0, 
 &end
#
# 1 LYS QD 1 LYS HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 14, 15, 
 &end
#
# 1 LYS QD 1 LYS HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 14, 15, 
 &end
#
# 1 LYS QB 1 LYS HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 8, 9, 
 &end
#
# 1 LYS HA 1 LYS QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 8, 9, 
 &end
#
# 1 LYS QE 1 LYS QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 17, 18, 
 igr2= 14, 15, 
 &end
#
# 1 LYS QB 1 LYS QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 8, 9, 
 igr2= 14, 15, 
 &end
#
# 1       LYS     QE      2       LEU QD1 4.5   (#added )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 17, 18, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU QD1 18 TYR QE 4     (#3.5 to 4.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 35, 36, 37, 
 igr2= 293, 298, 
 &end
#
# 2 LEU QD1 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 35, 36, 37, 
 igr2= 291, 300, 
 &end
#
# 2 LEU QD2 6 TRP HE3 5.5   (#5.0 to 5.5)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 39, 40, 41, 
 &end
#
# 2 LEU HA 3 PRO HD3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 LEU HA 3 PRO HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 46, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HB3 2 LEU HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 31, 30, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 LEU HG 2 LEU QD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HB3 2 LEU QD2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU HG 2 LEU QD2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU HB2 2 LEU QD1 4
 &rst
  ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HG 2 LEU HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 33, 30, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 LEU HB2 2 LEU QD2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU HB3 2 LEU QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HA 2 LEU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HG 2 LEU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 33, 26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU HG 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 33, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HB3 2 LEU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 31, 26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 LEU HA 2 LEU QD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU QD2 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 39, 40, 41, 
 &end
#
# 2 LEU HB2 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 30, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 LEU QD1 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 35, 36, 37, 
 &end
#
# 3 PRO HD2 31 PRO HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HD3 31 PRO HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HG2 6 TRP HD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HD2 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HB2 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HB3 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HG2 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HG2 6 TRP HD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HD3 6 TRP HD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HB2 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HA 4 PRO HD3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HA 4 PRO HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 60, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HG2 3 PRO HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 52, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 PRO HD3 3 PRO HD2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 46, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 PRO HB3 3 PRO HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HA 3 PRO HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 53, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HD3 3 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HG3 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD2 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD3 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HB3 3 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HB3 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HA 3 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD2 3 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD3 3 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HA 3 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 49, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HD3 2 LEU QD1 5.5    (#4.5 to 5.0 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 35, 36, 37, 
 &end
#
# 3 PRO HD2 2 LEU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD2 2 LEU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD3 2 LEU HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HA 6 TRP H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HA 5 GLY H 3.5  (#3. to 3.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 PRO HB3 4 PRO HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 67, 66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 PRO HG3 4 PRO HG2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 63, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 PRO HD3 4 PRO HD2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 60, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 PRO HA 4 PRO HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 64, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HA 4 PRO HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HB2 4 PRO HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 66, 63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HB3 4 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 67, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HG3 4 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD2 4 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 67, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD3 4 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD3 4 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 67, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD2 4 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HA 4 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD2 4 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 63, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HA 4 PRO HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 67, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HD2 3 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD3 3 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLY HA3 22 ILE QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 368, 369, 370, 
 &end
#
# 5 GLY HA2 22 ILE QD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 368, 369, 370, 
 &end
#
# 5 GLY HA3 22 ILE HG13 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA3 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA2 21 HIS HD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA3 21 HIS HD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA2 6 TRP H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 GLY HA3 6 TRP H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA3 5 GLY HA2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 75, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLY HA2 5 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLY HA3 5 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HZ3 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 97, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HA 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HE3 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HA 20 ASN HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HE3 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 7 GLU H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 TRP HE3 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB3 7 GLU H 4.5   (#HB2 to HB3)
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB2 7 GLU H 5     (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HH2 6 TRP HZ2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 95, 93, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 TRP HB2 6 TRP HB3 3     (#HB2 HB3 exchange)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 85, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 TRP HZ3 6 TRP HE3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 97, 99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 TRP HD1 6 TRP HE1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 88, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 TRP HZ2 6 TRP HE1 4
 &rst
  ixpk= 0, nxpk= 0, iat= 93, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HB3 6 TRP HE3 4     (#HB2 to HB3)
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HB2 6 TRP HD1 4.5   (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 6 TRP H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 80, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HZ3 6 TRP HZ2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 97, 93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 6 TRP HB3 4.5   (#HB2 to HB3)
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB3 6 TRP HD1 4.5   (#HB2 to HB3)
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 6 TRP HB2 5     (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 84, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HH2 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HA 6 TRP HD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP H 5 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 80, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB2 2 LEU HB2 4.5   (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB2 2 LEU QD2 4.5   (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 39, 40, 41, 
 &end
#
# 6 TRP HB2 2 LEU HB3 5     (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 31, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6       TRP     HH2     20      ASN H 5     (#added )
 &rst
  ixpk= 0, nxpk= 0, iat= 95, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU HB2 21 HIS HD2 4.5   (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HA 8 LYS H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 GLU HA 8 LYS HG3 4.5   (#4 to 4.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HB2 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU QG 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 111, 112, 
 &end
#
# 7 GLU HB3 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU QG 7 GLU HB3 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 111, 112, 
 &end
#
# 7 GLU QG 7 GLU HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 111, 112, 
 &end
#
# 7 GLU HA 7 GLU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HA 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HB2 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HA 7 GLU HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU HB3 7 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HA 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HG3 18 TYR QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 291, 300, 
 &end
#
# 8 LYS HG3 18 TYR QE 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HA 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 8 LYS HG2 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HA 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 8 LYS QE 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 132, 133, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HD3 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HG2 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 8 LYS QE 16 VAL QG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 igr2= 256, 257, 258, 
 &end
#
# 8 LYS QE 16 VAL QG1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 igr2= 252, 253, 254, 
 &end
#
# 8 LYS HA 9 ARG H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS HG3 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HG2 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HB2 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HB3 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HG3 8 LYS HG2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 LYS HB3 8 LYS H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS HB2 8 LYS HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS HG3 8 LYS H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS HB2 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS QE 8 LYS HD3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 &end
#
# 8 LYS QE 8 LYS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HA 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HB2 8 LYS HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HD3 8 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HD3 8 LYS HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HG2 17 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 272, 277, 
 &end
#
# 9 ARG QB 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 145, 146, 
 igr2= 270, 279, 
 &end
#
# 9 ARG QB 17 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 145, 146, 
 igr2= 272, 277, 
 &end
#
# 9 ARG QB 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 145, 146, 
 &end
#
# 9 ARG HG2 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 9 ARG HA 10 MET H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG QB 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 145, 146, 
 &end
#
# 9 ARG HG3 10 MET H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HA 9 ARG H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 141, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 ARG HG3 9 ARG HG2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 ARG HD3 9 ARG HD2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 151, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 ARG HG2 9 ARG QB 3
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HA 9 ARG HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ARG HD2 9 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD3 9 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HA 9 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD2 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HG3 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG QB 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 145, 146, 
 &end
#
# 9 ARG HG2 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD2 9 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HG3 9 ARG QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HD3 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD3 9 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD2 9 ARG QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HA 9 ARG QB 5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HD3 9 ARG QB 5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HG3 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG H 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HA 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 10 MET HA 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HG3 16 VAL QG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 256, 257, 258, 
 &end
#
# 10 MET HA 16 VAL QG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 256, 257, 258, 
 &end
#
# 10 MET HA 16 VAL QG1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 252, 253, 254, 
 &end
#
# 10 MET HG2 14 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HA 11 PHE H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 MET HB2 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HB3 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HG2 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HA 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HB2 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HB3 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 10 MET HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 10 MET HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 10 MET HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HA 10 MET HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HB2 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HB3 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HB2 14 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HB3 14 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HB3 13 NLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HB2 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HA 12 ALA H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 PHE HB3 12 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HB2 12 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE QD 12 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 190, 198, 
 &end
#
# 11 PHE QE 11 PHE QD 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 192, 196, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HA 11 PHE H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 PHE HZ 11 PHE QE 3
 &rst
  ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr2= 192, 196, 
 &end
#
# 11 PHE HB3 11 PHE HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 186, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 PHE HA 11 PHE QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HB2 11 PHE QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HB2 11 PHE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 PHE HB3 11 PHE QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HA 11 PHE HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 187, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 PHE HB3 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE QD 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 190, 198, 
 &end
#
# 11 PHE HA 11 PHE HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HZ 11 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 190, 198, 
 &end
#
# 12 ALA HA 14 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 ALA QB 13 NLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 206, 207, 208, 
 &end
#
# 12 ALA HA 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 ALA HA 12 ALA QB 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 206, 207, 208, 
 &end
#
# 12 ALA QB 12 ALA H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 206, 207, 208, 
 &end
#
# 12 ALA HA 12 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN H 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HA 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HB3 13 NLN HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 216, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 NLN HA 13 NLN HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 216, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 NLN HA 13 NLN HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 NLN HA 13 NLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HB2 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HB3 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HB2 13 NLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HA 13 NLN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 221, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN HB3 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN H 12 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLY HA3 15 THR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLY HA3 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLY HA2 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLY HA3 14 GLY HA2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLY HA2 14 GLY H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLY HA3 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR QG2 28 PHE QE 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 238, 239, 240, 
 igr2= 450, 454, 
 &end
#
# 15 THR QG2 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 238, 239, 240, 
 igr2= 448, 456, 
 &end
#
# 15 THR QG2 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 238, 239, 240, 
 igr2= 270, 279, 
 &end
#
# 15 THR HA 16 VAL H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 246, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 THR QG2 16 VAL H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR H 16 VAL H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR HA 15 THR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 THR HB 15 THR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 THR HB 15 THR QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 238, 239, 240, 
 &end
#
# 15 THR HA 15 THR QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 238, 239, 240, 
 &end
#
# 15 THR HA 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR QG2 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR HB 15 THR HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR H 14 GLY H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR HB 11 PHE QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 190, 198, 
 &end
#
# 15 THR QG2 11 PHE QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 238, 239, 240, 
 igr2= 190, 198, 
 &end
#
# 15 THR HB 11 PHE HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR QG2 11 PHE QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 238, 239, 240, 
 igr2= 192, 196, 
 &end
#
# 15 THR H 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 VAL HA 17 TYR H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 VAL QG1 17 TYR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 252, 253, 254, 
 &end
#
# 16 VAL QG2 17 TYR H 5     (#4.5 to 5)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 256, 257, 258, 
 &end
#
# 16 VAL HB 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 16 VAL QG2 16 VAL QG1 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 256, 257, 258, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL HA 16 VAL QG1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL HB 16 VAL QG1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL HB 16 VAL H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 VAL HB 16 VAL QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 256, 257, 258, 
 &end
#
# 16 VAL QG2 16 VAL H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 256, 257, 258, 
 &end
#
# 16 VAL HA 16 VAL QG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 256, 257, 258, 
 &end
#
# 16 VAL HA 16 VAL H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 16 VAL HB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL QG1 16 VAL H 5.0  (#4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 252, 253, 254, 
 &end
#
# 16 VAL HA 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL QG1 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 252, 253, 254, 
 &end
#
# 17 TYR HB3 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 17 TYR HA 28 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 448, 456, 
 &end
#
# 17 TYR HB2 28 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 448, 456, 
 &end
#
# 17 TYR HB3 28 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 450, 454, 
 &end
#
# 17 TYR HB2 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR QD 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 &end
#
# 17 TYR QE 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 272, 277, 
 igr2= 312, 320, 
 &end
#
# 17 TYR HA 18 TYR H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HB2 18 TYR H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HA 18 TYR QD 5.0  (#4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 17 TYR HB3 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR QD 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HA 18 TYR QE 5.5  (#5 to 5.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 293, 298, 
 &end
#
# 17 TYR QE 17 TYR QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 272, 277, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB2 17 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB3 17 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HA 17 TYR HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HA 17 TYR HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR QD 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HA 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR HA 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB3 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR HB2 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR H 16 VAL H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR QD 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 igr2= 190, 198, 
 &end
#
# 17 TYR QD 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HB3 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 190, 198, 
 &end
#
# 17 TYR QE 11 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 igr2= 190, 198, 
 &end
#
# 17 TYR QE 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR H 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR QE 10 MET H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR H 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR QE 9 ARG HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR QE 9 ARG QB 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 igr2= 145, 146, 
 &end
#
# 18 TYR H 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HB2 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 19 PHE H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 TYR QD 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 291, 300, 
 &end
#
# 18 TYR HB2 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR H 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HB3 18 TYR HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 TYR HB2 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HB3 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 291, 300, 
 &end
#
# 18 TYR QD 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 291, 300, 
 &end
#
# 18 TYR HB2 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HA 18 TYR HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HA 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HA 18 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 18 TYR HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HA 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 8 LYS HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HB3 6 TRP HE3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 TYR HB2 6 TRP HE3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18      TYR     QE 30      ARG     H       4.5   (#added  )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 293, 298, 
 &end
#
# 19 PHE HA 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HA 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 20 ASN H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 PHE QD 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 312, 320, 
 &end
#
# 19 PHE QD 19 PHE QE 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 312, 320, 
 igr2= 314, 318, 
 &end
#
# 19 PHE HB3 19 PHE HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 PHE QE 19 PHE HZ 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 314, 318, 
 &end
#
# 19 PHE HB2 19 PHE QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 312, 320, 
 &end
#
# 19 PHE HB3 19 PHE QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 312, 320, 
 &end
#
# 19 PHE HA 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 19 PHE HB2 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 19 PHE HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HB3 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HA 19 PHE HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HB3 19 PHE HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HB2 19 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 314, 318, 
 &end
#
# 19 PHE HA 19 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 314, 318, 
 &end
#
# 19 PHE HB3 17 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 272, 277, 
 &end
#
# 19 PHE HB2 17 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 272, 277, 
 &end
#
# 19 PHE H 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB3 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB2 25 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB3 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HA 21 HIS H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASN HD22 20 ASN HD21 3
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 ASN HB3 20 ASN HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 ASN HA 20 ASN H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 324, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASN HD22 20 ASN HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ASN HB3 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB2 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HA 20 ASN HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HD22 20 ASN HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB2 20 ASN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HA 7 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HD22 6 TRP HE1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HD22 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HD21 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HA 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HZ3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HH2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 HIS H 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HA 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 HIS HB3 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 HIS HB3 21 HIS HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 342, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 HIS HA 21 HIS HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 HIS HA 21 HIS HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HA 21 HIS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB3 21 HIS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HD2 21 HIS H 4.5  (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB2 21 HIS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB3 21 HIS HD2 4.5  (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB2 21 HIS HD2 4.5  (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HA 19 PHE QE 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HB2 19 PHE QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HA 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 21 HIS HB3 19 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HB2 19 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &end
#
# 22 ILE HB 23 THR H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 ILE HB 23 THR QG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 380, 381, 382, 
 &end
#
# 22 ILE QG2 23 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 361, 362, 363, 
 &end
#
# 22 ILE HA 23 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE HG13 22 ILE HG12 3
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 ILE HG12 22 ILE QD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 368, 369, 370, 
 &end
#
# 22 ILE HB 22 ILE QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 361, 362, 363, 
 &end
#
# 22 ILE HG13 22 ILE QD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 368, 369, 370, 
 &end
#
# 22 ILE HA 22 ILE QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 361, 362, 363, 
 &end
#
# 22 ILE HB 22 ILE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 ILE HB 22 ILE HG13 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HB 22 ILE QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 368, 369, 370, 
 &end
#
# 22 ILE HG13 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE HG12 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HB 22 ILE HG12 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HG12 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE QG2 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 361, 362, 363, 
 &end
#
# 22 ILE HA 22 ILE HB 5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE HA 22 ILE HG13 5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE QD1 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 368, 369, 370, 
 &end
#
# 22 ILE HG13 21 HIS HD2 4.5  (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE QD1 21 HIS HD2 5.0  (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 368, 369, 370, 
 &end
#
# 22 ILE HG12 21 HIS HD2 4.5  (#HE1 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE QD1 21 HIS HE1 5    (#HD2 to HE1)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 368, 369, 370, 
 &end
#
# 22 ILE HB 20 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR HG1 25 ALA QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 406, 407, 408, 
 &end
#
# 23 THR HG1 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HB 25 ALA QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 406, 407, 408, 
 &end
#
# 23 THR HB 25 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR QG2 25 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 380, 381, 382, 
 &end
#
# 23 THR H 24 ASN H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 THR QG2 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 380, 381, 382, 
 &end
#
# 23 THR HB 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR HA 23 THR QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 380, 381, 382, 
 &end
#
# 23 THR HG1 23 THR QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 380, 381, 382, 
 &end
#
# 23 THR QG2 23 THR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 380, 381, 382, 
 &end
#
# 23 THR HB 23 THR HA 4
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 THR HA 23 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HG1 23 THR HB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HB 23 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR HG1 23 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR H 22 ILE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 THR HA 22 ILE QG2 5.0   (#4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 361, 362, 363, 
 &end
#
# 23 THR HG1 22 ILE HB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR QG2 20 ASN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 380, 381, 382, 
 &end
#
# 24 ASN HA 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN HD22 24 ASN HD21 3
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASN HB3 24 ASN HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 392, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASN HA 24 ASN H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASN HA 24 ASN HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ASN HB2 24 ASN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN HA 24 ASN HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN HB2 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN HB3 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN HB3 24 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN H 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN HA 19 PHE HZ 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN HB3 19 PHE HZ 5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 26 SER H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ALA QB 26 SER H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA H 26 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ALA QB 25 ALA H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA HA 25 ALA QB 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 406, 407, 408, 
 &end
#
# 25 ALA HA 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ALA H 24 ASN H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ALA QB 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA H 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ALA QB 20 ASN HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HH2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 406, 407, 408, 
 &end
#
# 26 SER HA 27 GLN H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 SER HB2 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB3 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB3 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB2 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB2 26 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HA 26 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB3 26 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HA 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HA 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 26 SER HB3 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 26 SER HB2 19 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &end
#
# 26 SER HA 19 PHE HE1 5    (#QE to HE1)
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HB2 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 26 SER HB3 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 26 SER HA 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 27 GLN QB 29 GLU HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN HE22 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLN HA 28 PHE H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 440, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 GLN QG 27 GLN HE22 4.0  (#F28QE to Q27HE22; 3.5 to 4.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QB 28 PHE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QG 27 GLN QB 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 430, 431, 
 igr2= 427, 428, 
 &end
#
# 27 GLN HE21 27 GLN HE22 3
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 GLN HA 27 GLN QG 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 430, 431, 
 &end
#
# 27 GLN HA 27 GLN QB 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 427, 428, 
 &end
#
# 27 GLN QB 27 GLN H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 427, 428, 
 &end
#
# 27 GLN HA 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLN QG 27 GLN HE21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QB 6 TRP HZ3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QB 6 TRP HH2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 6 TRP HZ3 5     (#4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QB 6 TRP HE3 5.5   (#5 to 5.5)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 427, 428, 
 &end
#
# 27      GLN     QB      29      GLU H 4.0   (#added )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 427, 428, 
 &end
#
# 28 PHE HB2 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HB3 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 PHE HA 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 PHE QE 28 PHE QD 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 450, 454, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HZ 28 PHE QE 3
 &rst
  ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr2= 450, 454, 
 &end
#
# 28 PHE HB3 28 PHE HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 PHE HB2 28 PHE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 440, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 PHE HZ 28 PHE QD 4.5  (#4 to 4.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HA 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HA 28 PHE HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 445, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HB2 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB3 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB3 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HA 28 PHE HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE QD 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 448, 456, 
 &end
#
# 28 PHE HA 18 TYR QD 5    (#4.5 to 5)
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 28 PHE HA 18 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 PHE HA 17 TYR HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 PHE HA 17 TYR HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HA 30 ARG H 3.5  (#3 to 3.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLU HB2 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HG2 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HG3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HA 29 GLU H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLU HB3 29 GLU H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 GLU HA 29 GLU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB2 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HG3 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU H 28 PHE H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLU HB3 27 GLN HE21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG HA 31 PRO HD2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 500, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG HA 31 PRO HD3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG QB 30 ARG H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 479, 480, 
 &end
#
# 30 ARG HG3 30 ARG HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG QB 30 ARG HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 479, 480, 
 &end
#
# 30 ARG QD 30 ARG QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 485, 486, 
 igr2= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG HA 30 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG QD 30 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 485, 486, 
 &end
#
# 30 ARG QD 30 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 485, 486, 
 &end
#
# 30 ARG HA 30 ARG HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG QD 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 485, 486, 
 &end
#
# 30 ARG HG3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG HG2 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG QD 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 485, 486, 
 &end
#
# 30 ARG HA 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 30 ARG QB 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 479, 480, 
 igr2= 293, 298, 
 &end
#
# 30 ARG QB 18 TYR QD 5.5  (#5 to 5.5   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 479, 480, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HB3 33 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HA 32 SER H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 513, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PRO HB3 32 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 32 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB3 31 PRO HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 506, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PRO HD3 31 PRO HD2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PRO HG3 31 PRO HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HA 31 PRO HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 506, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HB3 31 PRO HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HD2 31 PRO HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HB2 31 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HA 31 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD3 31 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 31 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 31 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HB3 31 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD3 31 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HB2 31 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD3 31 PRO HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD3 31 PRO HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HA 30 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 30 ARG HG2 5.0  (#4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD3 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HG2 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD2 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 31 PRO HD2 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HD3 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HD3 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 31 PRO HB3 6 TRP HE1 5   
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 6 TRP HE1 5.5  (#5 to 5.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 90, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 SER HA 33 GLY H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 SER HA 32 SER HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HA 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HB3 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HB2 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HA 32 SER HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLY HA2 33 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLY HA3 33 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLY H 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0LB H61 34 0LB H62 3
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 537, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 0LB H3 34 0LB H2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0LB H4 34 0LB H5 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0LB H1 34 0LB H5 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0LB H4 34 0LB H3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 546, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0LB H3 34 0LB H5 4
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 535, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 0LB H61 34 0LB H5 4
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 535, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 0LB H1 34 0LB H3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 546, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 0LB H1 34 0LB H2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 550, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0LB H4 34 0LB H61 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0LB H4 34 0LB H2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H4 34 0LB H62 5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H1 34 0LB H4 5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H5 34 0LB H2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 550, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H4 28 PHE HZ 5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H3 28 PHE HZ 5
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H3 28 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 450, 454, 
 &end
#
# 34 0LB H5 28 PHE HZ 5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H3 15 THR QG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0LB H1 15 THR QG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0LB H1 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H1 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 190, 198, 
 &end
#
# 34 0LB H5 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 190, 198, 
 &end
#
# 34 0LB H1 11 PHE HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0LB H3 11 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 190, 198, 
 &end
#
# 34 0LB H61 11 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 190, 198, 
 &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat= 5, 10, 8, 9, 
   r1= 10., r2= 60., r3= 80., r4= 130., rk2= 300.0, rk3= 300.0, &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat= 7, 13, 11, 12, &end
#
#  chirality for residue 1 atoms:  CD NZ HE2 HE3
 &rst iat= 13, 19, 17, 18, &end
#
#  chirality for residue 1 atoms:  CG CE HD2 HD3
 &rst iat= 10, 16, 14, 15, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat= 1, 23, 6, 7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat= 27, 32, 30, 31, &end
#
#  chirality for residue 2 atoms:  CB CD1 CD2 HG
 &rst iat= 29, 34, 38, 33, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat= 25, 42, 28, 29, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat= 54, 48, 52, 53, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat= 51, 45, 49, 50, &end
#
#  chirality for residue 3 atoms:  CG N HD2 HD3
 &rst iat= 48, 44, 46, 47, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat= 44, 56, 55, 51, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat= 68, 62, 66, 67, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat= 65, 59, 63, 64, &end
#
#  chirality for residue 4 atoms:  CG N HD2 HD3
 &rst iat= 62, 58, 60, 61, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat= 58, 70, 69, 65, &end
#
#  chirality for residue 5 atoms:  N C HA2 HA3
 &rst iat= 72, 77, 75, 76, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat= 81, 86, 84, 85, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat= 79, 101, 82, 83, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat= 105, 110, 108, 109, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat= 107, 113, 111, 112, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat= 103, 116, 106, 107, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat= 120, 125, 123, 124, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat= 122, 128, 126, 127, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat= 128, 134, 132, 133, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat= 125, 131, 129, 130, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat= 118, 138, 121, 122, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat= 142, 147, 145, 146, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat= 144, 150, 148, 149, &end
#
#  chirality for residue 9 atoms:  CG NE HD2 HD3
 &rst iat= 147, 153, 151, 152, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat= 140, 162, 143, 144, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat= 166, 171, 169, 170, &end
#
#  chirality for residue 10 atoms:  CB SD HG2 HG3
 &rst iat= 168, 174, 172, 173, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat= 164, 179, 167, 168, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat= 183, 188, 186, 187, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat= 181, 199, 184, 185, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat= 201, 209, 204, 205, &end
#
#  chirality for residue 14 atoms:  N C HA2 HA3
 &rst iat= 224, 229, 227, 228, &end
#
#  chirality for residue 15 atoms:  CA CG2 OG1 HB
 &rst iat= 233, 237, 241, 236, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat= 231, 243, 234, 235, &end
#
#  chirality for residue 16 atoms:  CA CG1 CG2 HB
 &rst iat= 247, 251, 255, 250, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat= 245, 259, 248, 249, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat= 263, 268, 266, 267, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat= 261, 280, 264, 265, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat= 284, 289, 287, 288, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat= 282, 301, 285, 286, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat= 305, 310, 308, 309, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat= 303, 321, 306, 307, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat= 325, 330, 328, 329, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat= 323, 335, 326, 327, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat= 339, 344, 342, 343, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat= 337, 352, 340, 341, &end
#
#  chirality for residue 22 atoms:  CA CG2 CG1 HB
 &rst iat= 356, 360, 364, 359, &end
#
#  chirality for residue 22 atoms:  CB CD1 HG12 HG13
 &rst iat= 358, 367, 365, 366, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat= 354, 371, 357, 358, &end
#
#  chirality for residue 23 atoms:  CA CG2 OG1 HB
 &rst iat= 375, 379, 383, 378, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat= 373, 385, 376, 377, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat= 389, 394, 392, 393, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat= 387, 399, 390, 391, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat= 401, 409, 404, 405, &end
#
#  chirality for residue 26 atoms:  CA OG HB2 HB3
 &rst iat= 413, 418, 416, 417, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat= 411, 420, 414, 415, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat= 424, 429, 427, 428, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat= 426, 432, 430, 431, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat= 422, 437, 425, 426, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat= 441, 446, 444, 445, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat= 439, 457, 442, 443, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat= 461, 466, 464, 465, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat= 463, 469, 467, 468, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat= 459, 472, 462, 463, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat= 476, 481, 479, 480, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat= 478, 484, 482, 483, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat= 481, 487, 485, 486, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat= 474, 496, 477, 478, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat= 508, 502, 506, 507, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat= 505, 499, 503, 504, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat= 502, 498, 500, 501, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat= 498, 510, 509, 505, &end
#
#  chirality for residue 32 atoms:  CA OG HB2 HB3
 &rst iat= 514, 519, 517, 518, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat= 512, 521, 515, 516, &end
#
#  chirality for residue 33 atoms:  N C HA2 HA3
 &rst iat= 523, 528, 526, 527, &end
#
#  trans-omega constraint for residue 2
 &rst iat= 27, 25, 23, 5, 
   r1= 150., r2= 170., r3= 190., r4= 210., rk2= 300.0, rk3= 300.0, &end
#
#  trans-omega constraint for residue 3
 &rst iat= 54, 44, 42, 27, &end
#
#  trans-omega constraint for residue 4
 &rst iat= 68, 58, 56, 54, &end
#
#  trans-omega constraint for residue 5
 &rst iat= 74, 72, 70, 68, &end
#
#  trans-omega constraint for residue 6
 &rst iat= 81, 79, 77, 74, &end
#
#  trans-omega constraint for residue 7
 &rst iat= 105, 103, 101, 81, &end
#
#  trans-omega constraint for residue 8
 &rst iat= 120, 118, 116, 105, &end
#
#  trans-omega constraint for residue 9
 &rst iat= 142, 140, 138, 120, &end
#
#  trans-omega constraint for residue 10
 &rst iat= 166, 164, 162, 142, &end
#
#  trans-omega constraint for residue 11
 &rst iat= 183, 181, 179, 166, &end
#
#  trans-omega constraint for residue 12
 &rst iat= 203, 201, 199, 183, &end
#
#  trans-omega constraint for residue 13
 &rst iat= 213, 211, 209, 203, &end
#
#  trans-omega constraint for residue 14
 &rst iat= 226, 224, 222, 213, &end
#
#  trans-omega constraint for residue 15
 &rst iat= 233, 231, 229, 226, &end
#
#  trans-omega constraint for residue 16
 &rst iat= 247, 245, 243, 233, &end
#
#  trans-omega constraint for residue 17
 &rst iat= 263, 261, 259, 247, &end
#
#  trans-omega constraint for residue 18
 &rst iat= 284, 282, 280, 263, &end
#
#  trans-omega constraint for residue 19
 &rst iat= 305, 303, 301, 284, &end
#
#  trans-omega constraint for residue 20
 &rst iat= 325, 323, 321, 305, &end
#
#  trans-omega constraint for residue 21
 &rst iat= 339, 337, 335, 325, &end
#
#  trans-omega constraint for residue 22
 &rst iat= 356, 354, 352, 339, &end
#
#  trans-omega constraint for residue 23
 &rst iat= 375, 373, 371, 356, &end
#
#  trans-omega constraint for residue 24
 &rst iat= 389, 387, 385, 375, &end
#
#  trans-omega constraint for residue 25
 &rst iat= 403, 401, 399, 389, &end
#
#  trans-omega constraint for residue 26
 &rst iat= 413, 411, 409, 403, &end
#
#  trans-omega constraint for residue 27
 &rst iat= 424, 422, 420, 413, &end
#
#  trans-omega constraint for residue 28
 &rst iat= 441, 439, 437, 424, &end
#
#  trans-omega constraint for residue 29
 &rst iat= 461, 459, 457, 441, &end
#
#  trans-omega constraint for residue 30
 &rst iat= 476, 474, 472, 461, &end
#
#  trans-omega constraint for residue 31
 &rst iat= 508, 498, 496, 476, &end
#
#  trans-omega constraint for residue 32
 &rst iat= 514, 512, 510, 508, &end
#
#  trans-omega constraint for residue 33
 &rst iat= 525, 523, 521, 514, &end
# 552 atoms read from pdb file galactose_001.pdb.
# 2 LEU PSI:  (2 LEU N)-(2 LEU CA)-(2 LEU C)-(3 PRO N) 120.0 165.0
 &rst     iat= 25, 27, 42, 44, 
   r1= 119.0, r2= 120.0, r3= 165.0, r4= 166.0, 
   rk2= 500.0, rk3= 500.0,     &end

# 3 PRO PHI:  (2 LEU C)-(3 PRO N)-(3 PRO CA)-(3 PRO C) -90.0 -30.0
 &rst     iat= 42, 44, 54, 56, 
   r1= -91.0, r2= -90.0, r3= -30.0, r4= -29.0, 
 &end

# 3 PRO PSI:  (3 PRO N)-(3 PRO CA)-(3 PRO C)-(4 PRO N) 140.0 200.0
 &rst     iat= 44, 54, 56, 58, 
   r1= 139.0, r2= 140.0, r3= 200.0, r4= 201.0, 
 &end

# 4 PRO PHI:  (3 PRO C)-(4 PRO N)-(4 PRO CA)-(4 PRO C) -80.0 -25.0
 &rst     iat= 56, 58, 68, 70, 
   r1= -81.0, r2= -80.0, r3= -25.0, r4= -24.0, 
 &end

# 4 PRO PSI:  (4 PRO N)-(4 PRO CA)-(4 PRO C)-(5 GLY N)  80.0 140.0
 &rst     iat= 58, 68, 70, 72, 
   r1= 79.0, r2= 80.0, r3= 140.0, r4= 141.0, 
 &end

# 5 GLY PHI:  (4 PRO C)-(5 GLY N)-(5 GLY CA)-(5 GLY C)  60.0 130.0
 &rst     iat= 70, 72, 74, 77, 
   r1= 59.0, r2= 60.0, r3= 130.0, r4= 131.0, 
 &end

# 5 GLY PSI:  (5 GLY N)-(5 GLY CA)-(5 GLY C)-(6 TRP N) -65.0  15.0
 &rst     iat= 72, 74, 77, 79, 
   r1= -66.0, r2= -65.0, r3= 15.0, r4= 16.0, 
 &end

# 6 TRP PHI:  (5 GLY C)-(6 TRP N)-(6 TRP CA)-(6 TRP C) -90.0 -35.0
 &rst     iat= 77, 79, 81, 101, 
   r1= -91.0, r2= -90.0, r3= -35.0, r4= -34.0, 
 &end

# 6 TRP PSI:  (6 TRP N)-(6 TRP CA)-(6 TRP C)-(7 GLU N) 105.0 165.0
 &rst     iat= 79, 81, 101, 103, 
   r1= 104.0, r2= 105.0, r3= 165.0, r4= 166.0, 
 &end

# 7 GLU PHI:  (6 TRP C)-(7 GLU N)-(7 GLU CA)-(7 GLU C) -170.0 -120.0
 &rst     iat= 101, 103, 105, 116, 
   r1= -171.0, r2= -170.0, r3= -120.0, r4= -119.0, 
 &end

# 7 GLU PSI:  (7 GLU N)-(7 GLU CA)-(7 GLU C)-(8 LYS N) 120.0 170.0
 &rst     iat= 103, 105, 116, 118, 
   r1= 119.0, r2= 120.0, r3= 170.0, r4= 171.0, 
 &end

# 8 LYS PHI:  (7 GLU C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -100.0 -50.0
 &rst     iat= 116, 118, 120, 138, 
   r1= -101.0, r2= -100.0, r3= -50.0, r4= -49.0, 
 &end

# 8 LYS PSI:  (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 ARG N)  95.0 145.0
 &rst     iat= 118, 120, 138, 140, 
   r1= 94.0, r2= 95.0, r3= 145.0, r4= 146.0, 
 &end

# 9 ARG PHI:  (8 LYS C)-(9 ARG N)-(9 ARG CA)-(9 ARG C) -150.0 -95.0
 &rst     iat= 138, 140, 142, 162, 
   r1= -151.0, r2= -150.0, r3= -95.0, r4= -94.0, 
 &end

# 9 ARG PSI:  (9 ARG N)-(9 ARG CA)-(9 ARG C)-(10 MET N) -210.0 -150.0
 &rst     iat= 140, 142, 162, 164, 
   r1= -211.0, r2= -210.0, r3= -150.0, r4= -149.0, 
 &end

# 10 MET PHI:  (9 ARG C)-(10 MET N)-(10 MET CA)-(10 MET C) -465.0 -155.0
 &rst     iat= 162, 164, 166, 179, 
   r1= -466.0, r2= -465.0, r3= -155.0, r4= -154.0, 
 &end

# 10 MET PSI:  (10 MET N)-(10 MET CA)-(10 MET C)-(11 PHE N)  90.0 140.0
 &rst     iat= 164, 166, 179, 181, 
   r1= 89.0, r2= 90.0, r3= 140.0, r4= 141.0, 
 &end

# 11 PHE PHI:  (10 MET C)-(11 PHE N)-(11 PHE CA)-(11 PHE C) -110.0 -30.0
 &rst     iat= 179, 181, 183, 199, 
   r1= -111.0, r2= -110.0, r3= -30.0, r4= -29.0, 
 &end

# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 ALA N) 115.0 180.0
 &rst     iat= 181, 183, 199, 201, 
   r1= 114.0, r2= 115.0, r3= 180.0, r4= 181.0, 
 &end

# 12 ALA PHI:  (11 PHE C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -110.0 -40.0
 &rst     iat= 199, 201, 203, 209, 
   r1= -111.0, r2= -110.0, r3= -40.0, r4= -39.0, 
 &end

# 12 ALA PSI:  (12 ALA N)-(12 ALA CA)-(12 ALA C)-(13 NLN N) -55.0  25.0
 &rst     iat= 201, 203, 209, 211, 
   r1= -56.0, r2= -55.0, r3= 25.0, r4= 26.0, 
 &end

# 13 ASN PHI:  (12 ALA C)-(13 NLN N)-(13 NLN CA)-(13 NLN C) -130.0 -50.0
 &rst     iat= 209, 211, 213, 222, 
   r1= -131.0, r2= -130.0, r3= -50.0, r4= -49.0, 
 &end

# 13 ASN PSI:  (13 NLN N)-(13 NLN CA)-(13 NLN C)-(14 GLY N) -30.0  35.0
 &rst     iat= 211, 213, 222, 224, 
   r1= -31.0, r2= -30.0, r3= 35.0, r4= 36.0, 
 &end

# 14 GLY PHI:  (13 NLN C)-(14 GLY N)-(14 GLY CA)-(14 GLY C)  40.0 120.0
 &rst     iat= 222, 224, 226, 229, 
   r1= 39.0, r2= 40.0, r3= 120.0, r4= 121.0, 
 &end

# 14 GLY PSI:  (14 GLY N)-(14 GLY CA)-(14 GLY C)-(15 THR N)   0.0  85.0
 &rst     iat= 224, 226, 229, 231, 
   r1= -1.0, r2= 0.0, r3= 85.0, r4= 86.0, 
 &end

# 15 THR PHI:  (14 GLY C)-(15 THR N)-(15 THR CA)-(15 THR C) -165.0 -95.0
 &rst     iat= 229, 231, 233, 243, 
   r1= -166.0, r2= -165.0, r3= -95.0, r4= -94.0, 
 &end

# 15 THR PSI:  (15 THR N)-(15 THR CA)-(15 THR C)-(16 VAL N) 100.0 170.0
 &rst     iat= 231, 233, 243, 245, 
   r1= 99.0, r2= 100.0, r3= 170.0, r4= 171.0, 
 &end

# 16 VAL PHI:  (15 THR C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) -405.0 -95.0
 &rst     iat= 243, 245, 247, 259, 
   r1= -406.0, r2= -405.0, r3= -95.0, r4= -94.0, 
 &end

# 16 VAL PSI:  (16 VAL N)-(16 VAL CA)-(16 VAL C)-(17 TYR N) 105.0 160.0
 &rst     iat= 245, 247, 259, 261, 
   r1= 104.0, r2= 105.0, r3= 160.0, r4= 161.0, 
 &end

# 17 TYR PHI:  (16 VAL C)-(17 TYR N)-(17 TYR CA)-(17 TYR C) -155.0 -100.0
 &rst     iat= 259, 261, 263, 280, 
   r1= -156.0, r2= -155.0, r3= -100.0, r4= -99.0, 
 &end

# 17 TYR PSI:  (17 TYR N)-(17 TYR CA)-(17 TYR C)-(18 TYR N) -180.0 -130.0
 &rst     iat= 261, 263, 280, 282, 
   r1= -181.0, r2= -180.0, r3= -130.0, r4= -129.0, 
 &end

# 18 TYR PHI:  (17 TYR C)-(18 TYR N)-(18 TYR CA)-(18 TYR C) -160.0 -110.0
 &rst     iat= 280, 282, 284, 301, 
   r1= -161.0, r2= -160.0, r3= -110.0, r4= -109.0, 
 &end

# 18 TYR PSI:  (18 TYR N)-(18 TYR CA)-(18 TYR C)-(19 PHE N) 110.0 160.0
 &rst     iat= 282, 284, 301, 303, 
   r1= 109.0, r2= 110.0, r3= 160.0, r4= 161.0, 
 &end

# 19 PHE PHI:  (18 TYR C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -160.0 -110.0
 &rst     iat= 301, 303, 305, 321, 
   r1= -161.0, r2= -160.0, r3= -110.0, r4= -109.0, 
 &end

# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 ASN N)  85.0 140.0
 &rst     iat= 303, 305, 321, 323, 
   r1= 84.0, r2= 85.0, r3= 140.0, r4= 141.0, 
 &end

# 20 ASN PHI:  (19 PHE C)-(20 ASN N)-(20 ASN CA)-(20 ASN C) -110.0 -50.0
 &rst     iat= 321, 323, 325, 335, 
   r1= -111.0, r2= -110.0, r3= -50.0, r4= -49.0, 
 &end

# 20 ASN PSI:  (20 ASN N)-(20 ASN CA)-(20 ASN C)-(21 HIE N)  90.0 150.0
 &rst     iat= 323, 325, 335, 337, 
   r1= 89.0, r2= 90.0, r3= 150.0, r4= 151.0, 
 &end

# 21 HIS PHI:  (20 ASN C)-(21 HIE N)-(21 HIE CA)-(21 HIE C) -105.0 -55.0
 &rst     iat= 335, 337, 339, 352, 
   r1= -106.0, r2= -105.0, r3= -55.0, r4= -54.0, 
 &end

# 21 HIS PSI:  (21 HIE N)-(21 HIE CA)-(21 HIE C)-(22 ILE N) -30.0  30.0
 &rst     iat= 337, 339, 352, 354, 
   r1= -31.0, r2= -30.0, r3= 30.0, r4= 31.0, 
 &end

# 22 ILE PHI:  (21 HIE C)-(22 ILE N)-(22 ILE CA)-(22 ILE C) -140.0 -80.0
 &rst     iat= 352, 354, 356, 371, 
   r1= -141.0, r2= -140.0, r3= -80.0, r4= -79.0, 
 &end

# 22 ILE PSI:  (22 ILE N)-(22 ILE CA)-(22 ILE C)-(23 THR N) -40.0  25.0
 &rst     iat= 354, 356, 371, 373, 
   r1= -41.0, r2= -40.0, r3= 25.0, r4= 26.0, 
 &end

# 23 THR PHI:  (22 ILE C)-(23 THR N)-(23 THR CA)-(23 THR C) -150.0 -100.0
 &rst     iat= 371, 373, 375, 385, 
   r1= -151.0, r2= -150.0, r3= -100.0, r4= -99.0, 
 &end

# 23 THR PSI:  (23 THR N)-(23 THR CA)-(23 THR C)-(24 ASN N) -30.0  15.0
 &rst     iat= 373, 375, 385, 387, 
   r1= -31.0, r2= -30.0, r3= 15.0, r4= 16.0, 
 &end

# 24 ASN PHI:  (23 THR C)-(24 ASN N)-(24 ASN CA)-(24 ASN C)  30.0  80.0
 &rst     iat= 385, 387, 389, 399, 
   r1= 29.0, r2= 30.0, r3= 80.0, r4= 81.0, 
 &end

# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 ALA N)  -5.0  45.0
 &rst     iat= 387, 389, 399, 401, 
   r1= -6.0, r2= -5.0, r3= 45.0, r4= 46.0, 
 &end

# 25 ALA PHI:  (24 ASN C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -90.0 -45.0
 &rst     iat= 399, 401, 403, 409, 
   r1= -91.0, r2= -90.0, r3= -45.0, r4= -44.0, 
 &end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 SER N) 130.0 175.0
 &rst     iat= 401, 403, 409, 411, 
   r1= 129.0, r2= 130.0, r3= 175.0, r4= 176.0, 
 &end

# 26 SER PHI:  (25 ALA C)-(26 SER N)-(26 SER CA)-(26 SER C) -165.0 -110.0
 &rst     iat= 409, 411, 413, 420, 
   r1= -166.0, r2= -165.0, r3= -110.0, r4= -109.0, 
 &end

# 26 SER PSI:  (26 SER N)-(26 SER CA)-(26 SER C)-(27 GLN N) 100.0 150.0
 &rst     iat= 411, 413, 420, 422, 
   r1= 99.0, r2= 100.0, r3= 150.0, r4= 151.0, 
 &end

# 27 GLN PHI:  (26 SER C)-(27 GLN N)-(27 GLN CA)-(27 GLN C) -170.0 -120.0
 &rst     iat= 420, 422, 424, 437, 
   r1= -171.0, r2= -170.0, r3= -120.0, r4= -119.0, 
 &end

# 27 GLN PSI:  (27 GLN N)-(27 GLN CA)-(27 GLN C)-(28 PHE N) 120.0 170.0
 &rst     iat= 422, 424, 437, 439, 
   r1= 119.0, r2= 120.0, r3= 170.0, r4= 171.0, 
 &end

# 28 PHE PHI:  (27 GLN C)-(28 PHE N)-(28 PHE CA)-(28 PHE C) -90.0 -45.0
 &rst     iat= 437, 439, 441, 457, 
   r1= -91.0, r2= -90.0, r3= -45.0, r4= -44.0, 
 &end

# 28 PHE PSI:  (28 PHE N)-(28 PHE CA)-(28 PHE C)-(29 GLU N) -65.0   5.0
 &rst     iat= 439, 441, 457, 459, 
   r1= -66.0, r2= -65.0, r3= 5.0, r4= 6.0, 
 &end

# 29 GLU PHI:  (28 PHE C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -110.0 -20.0
 &rst     iat= 457, 459, 461, 472, 
   r1= -111.0, r2= -110.0, r3= -20.0, r4= -19.0, 
 &end

# 29 GLU PSI:  (29 GLU N)-(29 GLU CA)-(29 GLU C)-(30 ARG N) 110.0 180.0
 &rst     iat= 459, 461, 472, 474, 
   r1= 109.0, r2= 110.0, r3= 180.0, r4= 181.0, 
 &end

# 30 ARG PHI:  (29 GLU C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -130.0 -55.0
 &rst     iat= 472, 474, 476, 496, 
   r1= -131.0, r2= -130.0, r3= -55.0, r4= -54.0, 
 &end

# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 PRO N)  90.0 160.0
 &rst     iat= 474, 476, 496, 498, 
   r1= 89.0, r2= 90.0, r3= 160.0, r4= 161.0, 
 &end

# 31 PRO PHI:  (30 ARG C)-(31 PRO N)-(31 PRO CA)-(31 PRO C) -110.0 -50.0
 &rst     iat= 496, 498, 508, 510, 
   r1= -111.0, r2= -110.0, r3= -50.0, r4= -49.0, 
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H1       LYS   1 -11.981  -4.494   3.487
    2    H2   LYS   1           H2       LYS   1 -11.606  -5.345   4.830
    3    H3   LYS   1           H3       LYS   1 -11.011  -5.813   3.380
    4    HA   LYS   1           HA       LYS   1 -10.379  -3.303   4.790
    5    HB2  LYS   1           HB2      LYS   1  -9.384  -5.344   5.845
    6    HB3  LYS   1           HB3      LYS   1  -8.534  -5.682   4.338
    7    HG2  LYS   1           HG2      LYS   1  -7.449  -3.347   4.586
    8    HG3  LYS   1           HG3      LYS   1  -8.222  -3.261   6.166
    9    HD2  LYS   1           HD2      LYS   1  -5.991  -3.965   6.553
   10    HD3  LYS   1           HD3      LYS   1  -6.990  -5.408   6.786
   11    HE2  LYS   1           HE2      LYS   1  -6.407  -6.155   4.466
   12    HE3  LYS   1           HE3      LYS   1  -5.447  -4.684   4.249
   13    HZ1  LYS   1           HZ1      LYS   1  -4.030  -5.449   6.098
   14    HZ2  LYS   1           HZ2      LYS   1  -4.881  -6.844   6.200
   15    HZ3  LYS   1           HZ3      LYS   1  -4.016  -6.504   4.850
   16    H    LEU   2           H        LEU   2  -8.814  -5.300   2.243
   17    HA   LEU   2           HA       LEU   2  -8.470  -2.860   0.564
   18    HB2  LEU   2           HB2      LEU   2  -6.770  -5.339   0.980
   19    HB3  LEU   2           HB3      LEU   2  -6.506  -4.226  -0.366
   20    HG   LEU   2           HG       LEU   2  -6.444  -3.275   2.514
   21   HD11  LEU   2          HD11      LEU   2  -4.117  -4.149   0.759
   22   HD12  LEU   2          HD12      LEU   2  -4.002  -3.412   2.375
   23   HD13  LEU   2          HD13      LEU   2  -4.727  -5.017   2.184
   24   HD21  LEU   2          HD21      LEU   2  -5.245  -2.140  -0.043
   25   HD22  LEU   2          HD22      LEU   2  -6.722  -1.528   0.733
   26   HD23  LEU   2          HD23      LEU   2  -5.174  -1.406   1.572
   27    HA   PRO   3           HA       PRO   3 -10.761  -4.782  -2.682
   28    HB2  PRO   3           HB2      PRO   3  -8.814  -4.039  -4.790
   29    HB3  PRO   3           HB3      PRO   3 -10.485  -3.466  -4.540
   30    HG2  PRO   3           HG2      PRO   3  -8.279  -1.899  -4.055
   31    HG3  PRO   3           HG3      PRO   3  -9.800  -1.760  -3.105
   32    HD2  PRO   3           HD2      PRO   3  -7.258  -3.230  -2.409
   33    HD3  PRO   3           HD3      PRO   3  -8.255  -2.150  -1.391
   34    HA   PRO   4           HA       PRO   4  -9.601  -8.824  -3.747
   35    HB2  PRO   4           HB2      PRO   4  -9.873  -8.261  -6.709
   36    HB3  PRO   4           HB3      PRO   4 -10.498  -9.650  -5.759
   37    HG2  PRO   4           HG2      PRO   4 -12.153  -7.609  -6.375
   38    HG3  PRO   4           HG3      PRO   4 -12.155  -8.266  -4.703
   39    HD2  PRO   4           HD2      PRO   4 -10.772  -5.783  -5.749
   40    HD3  PRO   4           HD3      PRO   4 -11.731  -6.000  -4.251
   41    H    GLY   5           H        GLY   5  -7.703  -9.738  -3.532
   42    HA2  GLY   5           HA2      GLY   5  -5.602 -10.556  -4.040
   43    HA3  GLY   5           HA3      GLY   5  -5.544  -9.531  -5.488
   44    H    TRP   6           H        TRP   6  -6.189  -7.189  -3.374
   45    HA   TRP   6           HA       TRP   6  -3.386  -6.431  -3.096
   46    HB2  TRP   6           HB2      TRP   6  -5.955  -5.080  -2.308
   47    HB3  TRP   6           HB3      TRP   6  -4.353  -4.387  -2.022
   48    HD1  TRP   6           HD1      TRP   6  -6.879  -5.046  -4.753
   49    HE1  TRP   6           HE1      TRP   6  -6.264  -3.748  -6.879
   50    HE3  TRP   6           HE3      TRP   6  -2.149  -3.638  -3.441
   51    HZ2  TRP   6           HZ2      TRP   6  -3.866  -2.608  -8.005
   52    HZ3  TRP   6           HZ3      TRP   6  -0.684  -2.491  -5.094
   53    HH2  TRP   6           HH2      TRP   6  -1.523  -1.970  -7.372
   54    H    GLU   7           H        GLU   7  -2.109  -6.338  -1.367
   55    HA   GLU   7           HA       GLU   7  -3.162  -6.389   1.358
   56    HB2  GLU   7           HB2      GLU   7  -2.984  -8.754   0.934
   57    HB3  GLU   7           HB3      GLU   7  -1.385  -8.569   0.241
   58    HG2  GLU   7           HG2      GLU   7  -1.330  -9.656   2.404
   59    HG3  GLU   7           HG3      GLU   7  -0.389  -8.182   2.379
   60    H    LYS   8           H        LYS   8  -1.589  -5.674   2.945
   61    HA   LYS   8           HA       LYS   8   0.315  -3.721   1.922
   62    HB2  LYS   8           HB2      LYS   8  -0.335  -4.708   4.707
   63    HB3  LYS   8           HB3      LYS   8   1.046  -3.641   4.399
   64    HG2  LYS   8           HG2      LYS   8  -0.390  -1.952   3.368
   65    HG3  LYS   8           HG3      LYS   8  -1.795  -3.021   3.534
   66    HD2  LYS   8           HD2      LYS   8  -1.929  -1.405   5.291
   67    HD3  LYS   8           HD3      LYS   8  -1.479  -2.943   6.041
   68    HE2  LYS   8           HE2      LYS   8   0.929  -2.185   6.044
   69    HE3  LYS   8           HE3      LYS   8   0.419  -0.658   5.317
   70    HZ1  LYS   8           HZ1      LYS   8  -0.459  -1.652   7.976
   71    HZ2  LYS   8           HZ2      LYS   8   0.638  -0.470   7.729
   72    HZ3  LYS   8           HZ3      LYS   8  -0.922  -0.234   7.307
   73    H    ARG   9           H        ARG   9   2.427  -3.621   1.955
   74    HA   ARG   9           HA       ARG   9   4.144  -5.978   2.517
   75    HB2  ARG   9           HB2      ARG   9   3.170  -6.098   0.165
   76    HB3  ARG   9           HB3      ARG   9   4.073  -4.633  -0.226
   77    HG2  ARG   9           HG2      ARG   9   6.187  -5.790   0.086
   78    HG3  ARG   9           HG3      ARG   9   5.368  -7.190   0.829
   79    HD2  ARG   9           HD2      ARG   9   4.237  -7.692  -1.297
   80    HD3  ARG   9           HD3      ARG   9   5.000  -6.267  -2.047
   81    HE   ARG   9           HE       ARG   9   6.932  -8.112  -0.883
   82   HH11  ARG   9          HH11      ARG   9   8.380  -9.125  -2.213
   83   HH12  ARG   9          HH12      ARG   9   8.054  -9.256  -3.920
   84   HH21  ARG   9          HH21      ARG   9   5.042  -7.636  -3.809
   85   HH22  ARG   9          HH22      ARG   9   6.234  -8.424  -4.799
   86    H    MET  10           H        MET  10   6.546  -5.321   2.159
   87    HA   MET  10           HA       MET  10   7.045  -2.464   2.683
   88    HB2  MET  10           HB2      MET  10   6.260  -3.483   4.854
   89    HB3  MET  10           HB3      MET  10   7.639  -4.583   4.784
   90    HG2  MET  10           HG2      MET  10   9.154  -2.546   4.785
   91    HG3  MET  10           HG3      MET  10   7.710  -1.552   4.958
   92    HE1  MET  10           HE1      MET  10  10.322  -3.841   6.612
   93    HE2  MET  10           HE2      MET  10   9.605  -4.262   8.182
   94    HE3  MET  10           HE3      MET  10   8.943  -4.963   6.692
   95    H    PHE  11           H        PHE  11   9.001  -1.808   2.190
   96    HA   PHE  11           HA       PHE  11  10.935  -3.537   0.895
   97    HB2  PHE  11           HB2      PHE  11  10.893  -0.589   1.554
   98    HB3  PHE  11           HB3      PHE  11  12.212  -1.373   0.683
   99    HD1  PHE  11           HD1      PHE  11  11.653  -2.634  -1.519
  100    HD2  PHE  11           HD2      PHE  11   9.003   0.215   0.343
  101    HE1  PHE  11           HE1      PHE  11  10.495  -2.276  -3.687
  102    HE2  PHE  11           HE2      PHE  11   7.873   0.586  -1.809
  103    HZ   PHE  11           HZ       PHE  11   8.610  -0.656  -3.845
  104    H    ALA  12           H        ALA  12  13.250  -3.589   1.379
  105    HA   ALA  12           HA       ALA  12  13.803  -4.497   4.006
  106    HB1  ALA  12           HB1      ALA  12  16.126  -4.623   3.185
  107    HB2  ALA  12           HB2      ALA  12  14.986  -5.223   1.966
  108    HB3  ALA  12           HB3      ALA  12  15.705  -3.602   1.794
  109    H    ASN  13           H        ASN  13  13.923  -1.235   2.774
  110    HA   ASN  13           HA       ASN  13  15.550  -0.161   4.974
  111    HB2  ASN  13           HB2      ASN  13  15.134   2.009   3.895
  112    HB3  ASN  13           HB3      ASN  13  15.731   0.803   2.744
  113   HD21  ASN  13          HD21      ASN  13  14.865   2.406   1.182
  114    H    GLY  14           H        GLY  14  12.385  -1.253   4.930
  115    HA2  GLY  14           HA2      GLY  14  10.857  -1.121   6.683
  116    HA3  GLY  14           HA3      GLY  14  11.660   0.323   7.322
  117    H    THR  15           H        THR  15  10.787   0.356   3.918
  118    HA   THR  15           HA       THR  15   8.704   2.414   4.423
  119    HB   THR  15           HB       THR  15   9.999   1.436   1.856
  120    HG1  THR  15           HG1      THR  15  11.438   2.423   3.108
  121   HG21  THR  15          HG21      THR  15   7.887   2.416   1.282
  122   HG22  THR  15          HG22      THR  15   8.171   3.797   2.379
  123   HG23  THR  15          HG23      THR  15   9.158   3.586   0.912
  124    H    VAL  16           H        VAL  16   6.570   1.957   4.321
  125    HA   VAL  16           HA       VAL  16   5.683  -0.754   3.478
  126    HB   VAL  16           HB       VAL  16   4.393   1.499   5.058
  127   HG11  VAL  16          HG11      VAL  16   2.551   0.469   3.813
  128   HG12  VAL  16          HG12      VAL  16   3.114  -1.157   4.278
  129   HG13  VAL  16          HG13      VAL  16   2.498  -0.021   5.502
  130   HG21  VAL  16          HG21      VAL  16   4.389  -0.167   6.876
  131   HG22  VAL  16          HG22      VAL  16   5.126  -1.368   5.800
  132   HG23  VAL  16          HG23      VAL  16   6.038   0.086   6.275
  133    H    TYR  17           H        TYR  17   4.187  -1.142   1.933
  134    HA   TYR  17           HA       TYR  17   2.874   0.988   0.387
  135    HB2  TYR  17           HB2      TYR  17   3.826   0.344  -1.724
  136    HB3  TYR  17           HB3      TYR  17   5.131   0.762  -0.651
  137    HD1  TYR  17           HD1      TYR  17   6.535  -1.109   0.409
  138    HD2  TYR  17           HD2      TYR  17   3.750  -1.771  -2.819
  139    HE1  TYR  17           HE1      TYR  17   7.803  -3.135  -0.277
  140    HE2  TYR  17           HE2      TYR  17   4.995  -3.828  -3.470
  141    HH   TYR  17           HH       TYR  17   8.055  -4.741  -1.873
  142    H    TYR  18           H        TYR  18   1.663  -0.277  -1.518
  143    HA   TYR  18           HA       TYR  18   0.300  -2.660  -0.331
  144    HB2  TYR  18           HB2      TYR  18  -0.783  -0.534  -2.208
  145    HB3  TYR  18           HB3      TYR  18  -1.664  -1.945  -1.607
  146    HD1  TYR  18           HD1      TYR  18  -2.377  -2.097   0.761
  147    HD2  TYR  18           HD2      TYR  18  -0.350   1.391  -0.766
  148    HE1  TYR  18           HE1      TYR  18  -3.045  -0.819   2.792
  149    HE2  TYR  18           HE2      TYR  18  -1.002   2.663   1.279
  150    HH   TYR  18           HH       TYR  18  -2.966   1.183   3.875
  151    H    PHE  19           H        PHE  19   0.090  -4.493  -1.517
  152    HA   PHE  19           HA       PHE  19   1.088  -4.529  -4.329
  153    HB2  PHE  19           HB2      PHE  19   2.975  -5.029  -2.949
  154    HB3  PHE  19           HB3      PHE  19   2.057  -6.232  -2.032
  155    HD1  PHE  19           HD1      PHE  19   3.246  -5.373  -5.439
  156    HD2  PHE  19           HD2      PHE  19   1.968  -8.551  -2.814
  157    HE1  PHE  19           HE1      PHE  19   3.827  -7.008  -7.166
  158    HE2  PHE  19           HE2      PHE  19   2.634 -10.216  -4.527
  159    HZ   PHE  19           HZ       PHE  19   3.553  -9.467  -6.715
  160    H    ASN  20           H        ASN  20   0.051  -5.801  -5.736
  161    HA   ASN  20           HA       ASN  20  -2.235  -7.392  -4.713
  162    HB2  ASN  20           HB2      ASN  20  -2.526  -5.598  -6.467
  163    HB3  ASN  20           HB3      ASN  20  -1.628  -6.640  -7.583
  164   HD21  ASN  20          HD21      ASN  20  -4.684  -5.775  -6.837
  165   HD22  ASN  20          HD22      ASN  20  -5.524  -7.285  -7.123
  166    H    HIS  21           H        HIS  21  -1.874  -9.499  -4.349
  167    HA   HIS  21           HA       HIS  21   0.470 -10.844  -5.414
  168    HB2  HIS  21           HB2      HIS  21   0.041 -12.477  -3.898
  169    HB3  HIS  21           HB3      HIS  21  -0.771 -11.124  -3.116
  170    HD2  HIS  21           HD2      HIS  21  -3.402 -11.354  -2.726
  171    HE1  HIS  21           HE1      HIS  21  -3.917 -15.247  -4.385
  172    HE2  HIS  21           HE2      HIS  21  -5.030 -13.403  -3.027
  173    H    ILE  22           H        ILE  22  -2.793 -10.565  -6.568
  174    HA   ILE  22           HA       ILE  22  -2.780 -13.006  -8.192
  175    HB   ILE  22           HB       ILE  22  -4.717 -10.643  -8.111
  176   HG12  ILE  22          HG12      ILE  22  -4.722 -13.302  -6.595
  177   HG13  ILE  22          HG13      ILE  22  -4.578 -11.681  -5.905
  178   HG21  ILE  22          HG21      ILE  22  -6.312 -12.180  -9.190
  179   HG22  ILE  22          HG22      ILE  22  -4.893 -11.976 -10.192
  180   HG23  ILE  22          HG23      ILE  22  -5.074 -13.459  -9.227
  181   HD11  ILE  22          HD11      ILE  22  -6.908 -11.180  -6.736
  182   HD12  ILE  22          HD12      ILE  22  -7.056 -12.908  -7.147
  183   HD13  ILE  22          HD13      ILE  22  -6.785 -12.419  -5.469
  184    H    THR  23           H        THR  23  -2.438  -9.513  -8.682
  185    HA   THR  23           HA       THR  23  -1.961  -9.891 -11.588
  186    HB   THR  23           HB       THR  23  -2.772  -7.741 -11.969
  187    HG1  THR  23           HG1      THR  23  -3.440  -6.639  -9.856
  188   HG21  THR  23          HG21      THR  23  -4.512  -8.685  -9.650
  189   HG22  THR  23          HG22      THR  23  -4.977  -7.663 -11.024
  190   HG23  THR  23          HG23      THR  23  -4.578  -9.369 -11.291
  191    H    ASN  24           H        ASN  24  -0.095  -9.269  -8.886
  192    HA   ASN  24           HA       ASN  24   1.931  -8.505  -8.451
  193    HB2  ASN  24           HB2      ASN  24   2.523  -8.787 -11.414
  194    HB3  ASN  24           HB3      ASN  24   3.716  -8.594 -10.122
  195   HD21  ASN  24          HD21      ASN  24   2.245 -10.903 -12.022
  196   HD22  ASN  24          HD22      ASN  24   2.537 -12.287 -10.963
  197    H    ALA  25           H        ALA  25  -0.281  -6.540  -9.493
  198    HA   ALA  25           HA       ALA  25   1.180  -4.135 -10.146
  199    HB1  ALA  25           HB1      ALA  25  -0.946  -3.020  -9.635
  200    HB2  ALA  25           HB2      ALA  25  -1.223  -4.458 -10.635
  201    HB3  ALA  25           HB3      ALA  25  -1.572  -4.505  -8.892
  202    H    SER  26           H        SER  26   1.520  -2.277  -8.765
  203    HA   SER  26           HA       SER  26   1.530  -2.709  -5.848
  204    HB2  SER  26           HB2      SER  26   3.829  -1.971  -5.567
  205    HB3  SER  26           HB3      SER  26   3.731  -3.490  -6.461
  206    HG   SER  26           HG       SER  26   4.141  -2.400  -8.355
  207    H    GLN  27           H        GLN  27   1.483  -0.810  -4.609
  208    HA   GLN  27           HA       GLN  27   1.556   1.836  -5.941
  209    HB2  GLN  27           HB2      GLN  27  -0.899   0.710  -4.523
  210    HB3  GLN  27           HB3      GLN  27  -0.578   2.440  -4.709
  211    HG2  GLN  27           HG2      GLN  27  -0.517   2.198  -7.149
  212    HG3  GLN  27           HG3      GLN  27  -0.973   0.489  -6.987
  213   HE21  GLN  27          HE21      GLN  27  -2.586   2.544  -4.619
  214   HE22  GLN  27          HE22      GLN  27  -4.050   2.766  -5.584
  215    H    PHE  28           H        PHE  28   2.201   3.485  -4.677
  216    HA   PHE  28           HA       PHE  28   2.900   2.983  -1.876
  217    HB2  PHE  28           HB2      PHE  28   3.339   5.322  -3.716
  218    HB3  PHE  28           HB3      PHE  28   3.628   5.422  -1.977
  219    HD1  PHE  28           HD1      PHE  28   4.910   4.117  -5.145
  220    HD2  PHE  28           HD2      PHE  28   5.340   3.999  -0.854
  221    HE1  PHE  28           HE1      PHE  28   7.186   3.152  -5.399
  222    HE2  PHE  28           HE2      PHE  28   7.620   3.048  -1.114
  223    HZ   PHE  28           HZ       PHE  28   8.547   2.624  -3.383
  224    H    GLU  29           H        GLU  29   0.146   4.127  -3.458
  225    HA   GLU  29           HA       GLU  29  -1.009   5.271  -0.957
  226    HB2  GLU  29           HB2      GLU  29  -0.957   6.961  -2.619
  227    HB3  GLU  29           HB3      GLU  29  -1.477   5.856  -3.879
  228    HG2  GLU  29           HG2      GLU  29  -3.215   7.423  -3.399
  229    HG3  GLU  29           HG3      GLU  29  -3.741   5.795  -3.012
  230    H    ARG  30           H        ARG  30  -3.072   4.671  -0.324
  231    HA   ARG  30           HA       ARG  30  -3.554   1.907  -0.409
  232    HB2  ARG  30           HB2      ARG  30  -4.104   3.284   1.457
  233    HB3  ARG  30           HB3      ARG  30  -5.302   4.193   0.548
  234    HG2  ARG  30           HG2      ARG  30  -5.632   1.198   0.759
  235    HG3  ARG  30           HG3      ARG  30  -5.937   2.172   2.203
  236    HD2  ARG  30           HD2      ARG  30  -7.834   3.142   1.379
  237    HD3  ARG  30           HD3      ARG  30  -7.234   3.199  -0.271
  238    HE   ARG  30           HE       ARG  30  -8.120   1.154  -0.752
  239   HH11  ARG  30          HH11      ARG  30  -9.187  -0.100   2.865
  240   HH12  ARG  30          HH12      ARG  30  -8.175   1.328   2.769
  241   HH21  ARG  30          HH21      ARG  30  -9.569  -0.462  -0.500
  242   HH22  ARG  30          HH22      ARG  30  -9.909  -1.078   1.116
  243    HA   PRO  31           HA       PRO  31  -5.517   1.695  -4.383
  244    HB2  PRO  31           HB2      PRO  31  -5.844  -1.001  -4.644
  245    HB3  PRO  31           HB3      PRO  31  -4.226  -0.228  -4.592
  246    HG2  PRO  31           HG2      PRO  31  -5.761  -1.475  -2.284
  247    HG3  PRO  31           HG3      PRO  31  -4.070  -1.809  -2.783
  248    HD2  PRO  31           HD2      PRO  31  -4.607  -0.055  -0.809
  249    HD3  PRO  31           HD3      PRO  31  -3.321   0.280  -2.006
  250    H    SER  32           H        SER  32  -7.448   1.224  -5.505
  251    HA   SER  32           HA       SER  32  -9.854   0.539  -3.866
  252    HB2  SER  32           HB2      SER  32  -9.540   3.005  -4.076
  253    HB3  SER  32           HB3      SER  32  -9.674   2.840  -5.835
  254    HG   SER  32           HG       SER  32 -11.746   1.830  -5.418
  255    H    GLY  33           H        GLY  33  -8.131  -0.701  -6.254
  256    HA2  GLY  33           HA2      GLY  33  -9.957  -2.504  -7.263
  257    HA3  GLY  33           HA3      GLY  33 -10.075  -1.149  -8.386
  258    H1   GAL 101           H1       GAL  34  11.989   1.819   0.628
  259    H2   GAL 101           H2       GAL  34  13.670   4.151  -0.440
  260    H3   GAL 101           H3       GAL  34  10.739   3.386  -0.876
  261    H4   GAL 101           H4       GAL  34  11.357   2.858  -3.177
  262    H5   GAL 101           H5       GAL  34  11.596   0.979  -1.659
  263    H61  GAL 101           H61      GAL  34  12.384   0.353  -3.853
  264    H62  GAL 101           H62      GAL  34  13.958   1.135  -3.584
  265    HO2  GAL 101           H2O      GAL  34  11.654   4.014   1.590
  266    HO3  GAL 101           H3O      GAL  34  11.357   5.685  -0.922
  267    HO4  GAL 101           H4O      GAL  34  13.087   4.468  -3.152
  268    HO6  GAL 101           H6O      GAL  34  14.079  -0.323  -1.682
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -10.557  -6.332   3.782
    2    H2   LYS   1           H2       LYS   1 -11.529  -5.041   4.059
    3    H3   LYS   1           H3       LYS   1 -11.052  -5.985   5.302
    4    HA   LYS   1           HA       LYS   1  -9.850  -3.926   5.331
    5    HB2  LYS   1           HB2      LYS   1  -8.762  -5.999   6.178
    6    HB3  LYS   1           HB3      LYS   1  -8.041  -6.263   4.593
    7    HG2  LYS   1           HG2      LYS   1  -6.903  -3.969   4.853
    8    HG3  LYS   1           HG3      LYS   1  -7.566  -3.920   6.486
    9    HD2  LYS   1           HD2      LYS   1  -5.335  -4.671   6.717
   10    HD3  LYS   1           HD3      LYS   1  -6.332  -6.117   6.941
   11    HE2  LYS   1           HE2      LYS   1  -5.896  -6.748   4.549
   12    HE3  LYS   1           HE3      LYS   1  -4.925  -5.280   4.361
   13    HZ1  LYS   1           HZ1      LYS   1  -4.290  -7.555   6.155
   14    HZ2  LYS   1           HZ2      LYS   1  -3.489  -7.146   4.784
   15    HZ3  LYS   1           HZ3      LYS   1  -3.426  -6.167   6.090
   16    H    LEU   2           H        LEU   2  -8.385  -5.693   2.574
   17    HA   LEU   2           HA       LEU   2  -8.154  -3.142   1.060
   18    HB2  LEU   2           HB2      LEU   2  -6.525  -5.699   1.241
   19    HB3  LEU   2           HB3      LEU   2  -6.354  -4.624  -0.146
   20    HG   LEU   2           HG       LEU   2  -6.014  -3.572   2.673
   21   HD11  LEU   2          HD11      LEU   2  -3.841  -4.616   0.819
   22   HD12  LEU   2          HD12      LEU   2  -3.611  -3.855   2.408
   23   HD13  LEU   2          HD13      LEU   2  -4.405  -5.436   2.289
   24   HD21  LEU   2          HD21      LEU   2  -6.335  -1.975   0.725
   25   HD22  LEU   2          HD22      LEU   2  -4.796  -1.797   1.570
   26   HD23  LEU   2          HD23      LEU   2  -4.864  -2.640   0.006
   27    HA   PRO   3           HA       PRO   3 -10.680  -4.758  -2.217
   28    HB2  PRO   3           HB2      PRO   3  -8.805  -3.919  -4.351
   29    HB3  PRO   3           HB3      PRO   3 -10.446  -3.319  -3.983
   30    HG2  PRO   3           HG2      PRO   3  -8.167  -1.852  -3.497
   31    HG3  PRO   3           HG3      PRO   3  -9.646  -1.727  -2.482
   32    HD2  PRO   3           HD2      PRO   3  -7.124  -3.304  -1.971
   33    HD3  PRO   3           HD3      PRO   3  -8.067  -2.273  -0.854
   34    HA   PRO   4           HA       PRO   4  -9.668  -8.745  -3.549
   35    HB2  PRO   4           HB2      PRO   4 -10.048  -8.018  -6.464
   36    HB3  PRO   4           HB3      PRO   4 -10.672  -9.439  -5.561
   37    HG2  PRO   4           HG2      PRO   4 -12.291  -7.324  -5.998
   38    HG3  PRO   4           HG3      PRO   4 -12.242  -8.070  -4.364
   39    HD2  PRO   4           HD2      PRO   4 -10.833  -5.571  -5.337
   40    HD3  PRO   4           HD3      PRO   4 -11.733  -5.844  -3.812
   41    H    GLY   5           H        GLY   5  -7.779  -9.686  -3.425
   42    HA2  GLY   5           HA2      GLY   5  -5.742 -10.564  -4.081
   43    HA3  GLY   5           HA3      GLY   5  -5.723  -9.487  -5.491
   44    H    TRP   6           H        TRP   6  -6.165  -7.215  -3.247
   45    HA   TRP   6           HA       TRP   6  -3.332  -6.548  -3.142
   46    HB2  TRP   6           HB2      TRP   6  -5.800  -5.166  -2.136
   47    HB3  TRP   6           HB3      TRP   6  -4.166  -4.521  -1.920
   48    HD1  TRP   6           HD1      TRP   6  -6.898  -4.979  -4.477
   49    HE1  TRP   6           HE1      TRP   6  -6.401  -3.600  -6.584
   50    HE3  TRP   6           HE3      TRP   6  -2.026  -3.809  -3.491
   51    HZ2  TRP   6           HZ2      TRP   6  -4.053  -2.502  -7.850
   52    HZ3  TRP   6           HZ3      TRP   6  -0.651  -2.637  -5.200
   53    HH2  TRP   6           HH2      TRP   6  -1.645  -1.981  -7.380
   54    H    GLU   7           H        GLU   7  -1.938  -6.462  -1.474
   55    HA   GLU   7           HA       GLU   7  -2.837  -6.769   1.306
   56    HB2  GLU   7           HB2      GLU   7  -2.505  -9.062   0.686
   57    HB3  GLU   7           HB3      GLU   7  -0.978  -8.696  -0.093
   58    HG2  GLU   7           HG2      GLU   7  -0.655  -9.919   1.962
   59    HG3  GLU   7           HG3      GLU   7   0.130  -8.356   2.008
   60    H    LYS   8           H        LYS   8  -1.362  -5.993   2.864
   61    HA   LYS   8           HA       LYS   8   0.451  -3.883   1.947
   62    HB2  LYS   8           HB2      LYS   8  -0.399  -4.896   4.665
   63    HB3  LYS   8           HB3      LYS   8   1.042  -3.880   4.508
   64    HG2  LYS   8           HG2      LYS   8  -0.243  -2.133   3.352
   65    HG3  LYS   8           HG3      LYS   8  -1.702  -3.139   3.457
   66    HD2  LYS   8           HD2      LYS   8  -1.825  -1.473   5.180
   67    HD3  LYS   8           HD3      LYS   8  -1.535  -3.033   5.966
   68    HE2  LYS   8           HE2      LYS   8   0.897  -2.467   6.148
   69    HE3  LYS   8           HE3      LYS   8   0.592  -0.930   5.333
   70    HZ1  LYS   8           HZ1      LYS   8  -0.848  -0.303   7.193
   71    HZ2  LYS   8           HZ2      LYS   8  -0.577  -1.730   7.945
   72    HZ3  LYS   8           HZ3      LYS   8   0.644  -0.666   7.746
   73    H    ARG   9           H        ARG   9   2.520  -3.730   1.923
   74    HA   ARG   9           HA       ARG   9   4.332  -5.997   2.681
   75    HB2  ARG   9           HB2      ARG   9   4.600  -4.312   0.180
   76    HB3  ARG   9           HB3      ARG   9   5.574  -5.709   0.620
   77    HG2  ARG   9           HG2      ARG   9   2.721  -5.637  -0.402
   78    HG3  ARG   9           HG3      ARG   9   4.170  -6.246  -1.214
   79    HD2  ARG   9           HD2      ARG   9   2.577  -7.542   0.998
   80    HD3  ARG   9           HD3      ARG   9   2.925  -8.136  -0.619
   81    HE   ARG   9           HE       ARG   9   5.231  -8.554   0.024
   82   HH11  ARG   9          HH11      ARG   9   3.095  -8.034   2.795
   83   HH12  ARG   9          HH12      ARG   9   4.082  -9.054   3.811
   84   HH21  ARG   9          HH21      ARG   9   6.450  -9.730   1.427
   85   HH22  ARG   9          HH22      ARG   9   5.929  -9.944   3.075
   86    H    MET  10           H        MET  10   6.671  -5.208   2.627
   87    HA   MET  10           HA       MET  10   7.074  -2.348   3.035
   88    HB2  MET  10           HB2      MET  10   6.249  -3.193   5.273
   89    HB3  MET  10           HB3      MET  10   7.667  -4.244   5.338
   90    HG2  MET  10           HG2      MET  10   9.109  -2.158   5.155
   91    HG3  MET  10           HG3      MET  10   7.628  -1.207   5.209
   92    HE1  MET  10           HE1      MET  10   8.973  -4.374   7.287
   93    HE2  MET  10           HE2      MET  10  10.303  -3.206   7.113
   94    HE3  MET  10           HE3      MET  10   9.580  -3.503   8.709
   95    H    PHE  11           H        PHE  11   9.037  -1.718   2.491
   96    HA   PHE  11           HA       PHE  11  11.027  -3.549   1.449
   97    HB2  PHE  11           HB2      PHE  11  10.931  -0.548   1.787
   98    HB3  PHE  11           HB3      PHE  11  12.299  -1.400   1.063
   99    HD1  PHE  11           HD1      PHE  11  11.816  -2.952  -0.989
  100    HD2  PHE  11           HD2      PHE  11   9.125   0.118   0.405
  101    HE1  PHE  11           HE1      PHE  11  10.733  -2.869  -3.225
  102    HE2  PHE  11           HE2      PHE  11   8.072   0.219  -1.817
  103    HZ   PHE  11           HZ       PHE  11   8.869  -1.274  -3.652
  104    H    ALA  12           H        ALA  12  13.323  -3.528   1.995
  105    HA   ALA  12           HA       ALA  12  13.835  -4.116   4.724
  106    HB1  ALA  12           HB1      ALA  12  15.765  -3.439   2.458
  107    HB2  ALA  12           HB2      ALA  12  16.179  -4.278   3.969
  108    HB3  ALA  12           HB3      ALA  12  15.082  -5.046   2.807
  109    H    ASN  13           H        ASN  13  13.925  -1.023   3.101
  110    HA   ASN  13           HA       ASN  13  15.473   0.344   5.188
  111    HB2  ASN  13           HB2      ASN  13  15.076   2.347   3.848
  112    HB3  ASN  13           HB3      ASN  13  15.664   1.015   2.841
  113   HD21  ASN  13          HD21      ASN  13  14.810   2.457   1.123
  114    H    GLY  14           H        GLY  14  12.335  -0.817   5.224
  115    HA2  GLY  14           HA2      GLY  14  10.774  -0.519   6.924
  116    HA3  GLY  14           HA3      GLY  14  11.535   1.007   7.406
  117    H    THR  15           H        THR  15  10.741   0.680   4.004
  118    HA   THR  15           HA       THR  15   8.579   2.703   4.261
  119    HB   THR  15           HB       THR  15   9.995   1.532   1.843
  120    HG1  THR  15           HG1      THR  15  11.333   2.712   3.049
  121   HG21  THR  15          HG21      THR  15   7.888   2.337   1.069
  122   HG22  THR  15          HG22      THR  15   8.017   3.817   2.062
  123   HG23  THR  15          HG23      THR  15   9.099   3.562   0.672
  124    H    VAL  16           H        VAL  16   6.462   2.186   4.096
  125    HA   VAL  16           HA       VAL  16   5.667  -0.621   3.508
  126    HB   VAL  16           HB       VAL  16   4.274   1.761   4.780
  127   HG11  VAL  16          HG11      VAL  16   2.506   0.580   3.559
  128   HG12  VAL  16          HG12      VAL  16   3.050  -0.976   4.234
  129   HG13  VAL  16          HG13      VAL  16   2.366   0.285   5.287
  130   HG21  VAL  16          HG21      VAL  16   5.882   0.506   6.203
  131   HG22  VAL  16          HG22      VAL  16   4.215   0.300   6.763
  132   HG23  VAL  16          HG23      VAL  16   5.004  -1.001   5.851
  133    H    TYR  17           H        TYR  17   4.245  -1.193   1.919
  134    HA   TYR  17           HA       TYR  17   2.996   0.785   0.137
  135    HB2  TYR  17           HB2      TYR  17   4.035   0.004  -1.882
  136    HB3  TYR  17           HB3      TYR  17   5.297   0.508  -0.796
  137    HD1  TYR  17           HD1      TYR  17   6.646  -1.284   0.467
  138    HD2  TYR  17           HD2      TYR  17   4.035  -2.178  -2.861
  139    HE1  TYR  17           HE1      TYR  17   7.906  -3.383   0.037
  140    HE2  TYR  17           HE2      TYR  17   5.276  -4.297  -3.256
  141    HH   TYR  17           HH       TYR  17   8.147  -5.195  -1.327
  142    H    TYR  18           H        TYR  18   1.895  -0.605  -1.712
  143    HA   TYR  18           HA       TYR  18   0.525  -2.962  -0.482
  144    HB2  TYR  18           HB2      TYR  18  -0.613  -0.789  -2.279
  145    HB3  TYR  18           HB3      TYR  18  -1.485  -2.202  -1.670
  146    HD1  TYR  18           HD1      TYR  18  -0.122   1.126  -0.806
  147    HD2  TYR  18           HD2      TYR  18  -2.196  -2.352   0.682
  148    HE1  TYR  18           HE1      TYR  18  -0.698   2.364   1.265
  149    HE2  TYR  18           HE2      TYR  18  -2.833  -1.078   2.731
  150    HH   TYR  18           HH       TYR  18  -1.755   2.277   3.289
  151    H    PHE  19           H        PHE  19   0.229  -4.758  -1.732
  152    HA   PHE  19           HA       PHE  19   1.082  -4.712  -4.600
  153    HB2  PHE  19           HB2      PHE  19   3.014  -5.383  -3.322
  154    HB3  PHE  19           HB3      PHE  19   2.051  -6.599  -2.458
  155    HD1  PHE  19           HD1      PHE  19   3.125  -5.584  -5.863
  156    HD2  PHE  19           HD2      PHE  19   1.883  -8.848  -3.336
  157    HE1  PHE  19           HE1      PHE  19   3.585  -7.147  -7.690
  158    HE2  PHE  19           HE2      PHE  19   2.418 -10.446  -5.156
  159    HZ   PHE  19           HZ       PHE  19   3.265  -9.617  -7.345
  160    H    ASN  20           H        ASN  20  -0.089  -5.905  -5.985
  161    HA   ASN  20           HA       ASN  20  -2.357  -7.469  -4.880
  162    HB2  ASN  20           HB2      ASN  20  -2.699  -5.592  -6.543
  163    HB3  ASN  20           HB3      ASN  20  -1.912  -6.617  -7.753
  164   HD21  ASN  20          HD21      ASN  20  -4.879  -5.687  -6.756
  165   HD22  ASN  20          HD22      ASN  20  -5.790  -7.160  -7.025
  166    H    HIS  21           H        HIS  21  -2.036  -9.600  -4.631
  167    HA   HIS  21           HA       HIS  21   0.191 -10.967  -5.894
  168    HB2  HIS  21           HB2      HIS  21  -0.221 -12.669  -4.445
  169    HB3  HIS  21           HB3      HIS  21  -0.923 -11.326  -3.547
  170    HD2  HIS  21           HD2      HIS  21  -3.524 -11.491  -2.979
  171    HE1  HIS  21           HE1      HIS  21  -4.311 -15.250  -4.825
  172    HE2  HIS  21           HE2      HIS  21  -5.250 -13.455  -3.283
  173    H    ILE  22           H        ILE  22  -3.120 -10.530  -6.846
  174    HA   ILE  22           HA       ILE  22  -3.285 -12.893  -8.572
  175    HB   ILE  22           HB       ILE  22  -5.129 -10.472  -8.296
  176   HG12  ILE  22          HG12      ILE  22  -5.151 -13.174  -6.856
  177   HG13  ILE  22          HG13      ILE  22  -4.890 -11.586  -6.128
  178   HG21  ILE  22          HG21      ILE  22  -6.836 -11.924  -9.317
  179   HG22  ILE  22          HG22      ILE  22  -5.470 -11.742 -10.396
  180   HG23  ILE  22          HG23      ILE  22  -5.649 -13.243  -9.459
  181   HD11  ILE  22          HD11      ILE  22  -7.238 -10.951  -6.793
  182   HD12  ILE  22          HD12      ILE  22  -7.495 -12.655  -7.249
  183   HD13  ILE  22          HD13      ILE  22  -7.095 -12.238  -5.577
  184    H    THR  23           H        THR  23  -2.847  -9.394  -8.931
  185    HA   THR  23           HA       THR  23  -2.553  -9.652 -11.873
  186    HB   THR  23           HB       THR  23  -3.295  -7.458 -12.108
  187    HG1  THR  23           HG1      THR  23  -3.791  -6.432  -9.911
  188   HG21  THR  23          HG21      THR  23  -5.123  -9.046 -11.387
  189   HG22  THR  23          HG22      THR  23  -4.930  -8.434  -9.728
  190   HG23  THR  23          HG23      THR  23  -5.434  -7.338 -11.028
  191    H    ASN  24           H        ASN  24  -0.508  -9.241  -9.267
  192    HA   ASN  24           HA       ASN  24   1.569  -8.580  -8.917
  193    HB2  ASN  24           HB2      ASN  24   1.967  -8.762 -11.920
  194    HB3  ASN  24           HB3      ASN  24   3.249  -8.653 -10.706
  195   HD21  ASN  24          HD21      ASN  24   1.697 -10.851 -12.616
  196   HD22  ASN  24          HD22      ASN  24   1.967 -12.277 -11.609
  197    H    ALA  25           H        ALA  25  -0.606  -6.474  -9.729
  198    HA   ALA  25           HA       ALA  25   0.937  -4.111 -10.369
  199    HB1  ALA  25           HB1      ALA  25  -1.767  -4.410  -8.994
  200    HB2  ALA  25           HB2      ALA  25  -1.107  -2.923  -9.707
  201    HB3  ALA  25           HB3      ALA  25  -1.499  -4.302 -10.750
  202    H    SER  26           H        SER  26   1.490  -2.358  -8.955
  203    HA   SER  26           HA       SER  26   1.504  -2.855  -6.047
  204    HB2  SER  26           HB2      SER  26   3.825  -2.106  -5.786
  205    HB3  SER  26           HB3      SER  26   3.691  -3.655  -6.609
  206    HG   SER  26           HG       SER  26   4.098  -2.647  -8.559
  207    H    GLN  27           H        GLN  27   1.571  -0.996  -4.757
  208    HA   GLN  27           HA       GLN  27   1.672   1.678  -6.028
  209    HB2  GLN  27           HB2      GLN  27  -0.746   0.606  -4.507
  210    HB3  GLN  27           HB3      GLN  27  -0.382   2.327  -4.707
  211    HG2  GLN  27           HG2      GLN  27  -0.481   2.116  -7.134
  212    HG3  GLN  27           HG3      GLN  27  -0.933   0.405  -6.976
  213   HE21  GLN  27          HE21      GLN  27  -2.410   2.390  -4.477
  214   HE22  GLN  27          HE22      GLN  27  -3.928   2.630  -5.348
  215    H    PHE  28           H        PHE  28   2.478   3.245  -4.754
  216    HA   PHE  28           HA       PHE  28   3.263   2.634  -2.000
  217    HB2  PHE  28           HB2      PHE  28   3.717   5.008  -3.788
  218    HB3  PHE  28           HB3      PHE  28   4.070   5.053  -2.058
  219    HD1  PHE  28           HD1      PHE  28   5.112   3.625  -5.296
  220    HD2  PHE  28           HD2      PHE  28   5.852   3.705  -1.046
  221    HE1  PHE  28           HE1      PHE  28   7.337   2.582  -5.662
  222    HE2  PHE  28           HE2      PHE  28   8.084   2.681  -1.422
  223    HZ   PHE  28           HZ       PHE  28   8.828   2.113  -3.726
  224    H    GLU  29           H        GLU  29   0.491   3.903  -3.435
  225    HA   GLU  29           HA       GLU  29  -0.530   5.015  -0.866
  226    HB2  GLU  29           HB2      GLU  29  -0.475   6.738  -2.494
  227    HB3  GLU  29           HB3      GLU  29  -1.101   5.687  -3.751
  228    HG2  GLU  29           HG2      GLU  29  -2.742   7.316  -3.155
  229    HG3  GLU  29           HG3      GLU  29  -3.323   5.705  -2.778
  230    H    ARG  30           H        ARG  30  -2.590   4.516  -0.200
  231    HA   ARG  30           HA       ARG  30  -3.314   1.810  -0.208
  232    HB2  ARG  30           HB2      ARG  30  -3.861   3.106   1.628
  233    HB3  ARG  30           HB3      ARG  30  -4.599   4.379   0.661
  234    HG2  ARG  30           HG2      ARG  30  -6.323   3.285   1.905
  235    HG3  ARG  30           HG3      ARG  30  -6.544   2.962   0.183
  236    HD2  ARG  30           HD2      ARG  30  -5.116   0.751   0.857
  237    HD3  ARG  30           HD3      ARG  30  -5.806   1.113   2.431
  238    HE   ARG  30           HE       ARG  30  -7.395   0.764  -0.113
  239   HH11  ARG  30          HH11      ARG  30  -7.111  -0.073   3.303
  240   HH12  ARG  30          HH12      ARG  30  -8.558  -1.062   3.216
  241   HH21  ARG  30          HH21      ARG  30  -9.315  -0.263  -0.006
  242   HH22  ARG  30          HH22      ARG  30  -9.798  -1.080   1.468
  243    HA   PRO  31           HA       PRO  31  -5.501   1.672  -4.139
  244    HB2  PRO  31           HB2      PRO  31  -5.930  -1.020  -4.347
  245    HB3  PRO  31           HB3      PRO  31  -4.304  -0.284  -4.526
  246    HG2  PRO  31           HG2      PRO  31  -5.527  -1.486  -2.017
  247    HG3  PRO  31           HG3      PRO  31  -3.932  -1.864  -2.747
  248    HD2  PRO  31           HD2      PRO  31  -4.122  -0.114  -0.737
  249    HD3  PRO  31           HD3      PRO  31  -3.029   0.217  -2.115
  250    H    SER  32           H        SER  32  -7.550   1.300  -4.997
  251    HA   SER  32           HA       SER  32  -9.773   0.682  -3.081
  252    HB2  SER  32           HB2      SER  32  -9.661   2.876  -5.175
  253    HB3  SER  32           HB3      SER  32 -11.123   2.388  -4.300
  254    HG   SER  32           HG       SER  32  -8.719   3.340  -3.125
  255    H    GLY  33           H        GLY  33  -8.303  -0.497  -5.807
  256    HA2  GLY  33           HA2      GLY  33 -10.103  -2.520  -6.396
  257    HA3  GLY  33           HA3      GLY  33 -10.576  -1.208  -7.475
  258    H1   GAL 101           H1       GAL  34  11.890   1.998   0.684
  259    H2   GAL 101           H2       GAL  34  13.707   4.161  -0.511
  260    H3   GAL 101           H3       GAL  34  10.751   3.536  -0.981
  261    H4   GAL 101           H4       GAL  34  11.424   2.932  -3.285
  262    H5   GAL 101           H5       GAL  34  11.320   1.170  -1.567
  263    H61  GAL 101           H61      GAL  34  12.656  -0.564  -2.567
  264    H62  GAL 101           H62      GAL  34  12.116   0.510  -3.875
  265    HO2  GAL 101           H2O      GAL  34  11.617   4.209   1.451
  266    HO3  GAL 101           H3O      GAL  34  11.529   5.803  -1.061
  267    HO4  GAL 101           H4O      GAL  34  13.883   2.547  -3.381
  268    HO6  GAL 101           H6O      GAL  34  14.654   0.495  -2.548
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -12.193  -3.623   3.649
    2    H2   LYS   1           H2       LYS   1 -12.069  -4.898   4.668
    3    H3   LYS   1           H3       LYS   1 -12.199  -5.144   3.052
    4    HA   LYS   1           HA       LYS   1  -9.943  -3.836   4.420
    5    HB2  LYS   1           HB2      LYS   1  -8.599  -5.787   3.886
    6    HB3  LYS   1           HB3      LYS   1  -9.965  -6.246   4.867
    7    HG2  LYS   1           HG2      LYS   1 -11.064  -7.371   3.123
    8    HG3  LYS   1           HG3      LYS   1 -10.160  -6.566   1.853
    9    HD2  LYS   1           HD2      LYS   1  -8.921  -8.508   3.837
   10    HD3  LYS   1           HD3      LYS   1  -9.553  -8.995   2.271
   11    HE2  LYS   1           HE2      LYS   1  -7.304  -6.956   2.617
   12    HE3  LYS   1           HE3      LYS   1  -7.043  -8.683   2.406
   13    HZ1  LYS   1           HZ1      LYS   1  -8.431  -6.968   0.409
   14    HZ2  LYS   1           HZ2      LYS   1  -6.880  -7.511   0.297
   15    HZ3  LYS   1           HZ3      LYS   1  -8.126  -8.566   0.258
   16    H    LEU   2           H        LEU   2  -8.020  -4.538   2.517
   17    HA   LEU   2           HA       LEU   2  -8.261  -2.629   0.405
   18    HB2  LEU   2           HB2      LEU   2  -6.464  -5.044   0.858
   19    HB3  LEU   2           HB3      LEU   2  -6.210  -3.877  -0.445
   20    HG   LEU   2           HG       LEU   2  -6.268  -2.988   2.460
   21   HD11  LEU   2          HD11      LEU   2  -3.814  -3.098   2.387
   22   HD12  LEU   2          HD12      LEU   2  -4.541  -4.704   2.231
   23   HD13  LEU   2          HD13      LEU   2  -3.890  -3.883   0.788
   24   HD21  LEU   2          HD21      LEU   2  -6.512  -1.247   0.676
   25   HD22  LEU   2          HD22      LEU   2  -4.984  -1.099   1.556
   26   HD23  LEU   2          HD23      LEU   2  -5.005  -1.842  -0.059
   27    HA   PRO   3           HA       PRO   3 -10.581  -4.700  -2.654
   28    HB2  PRO   3           HB2      PRO   3  -8.729  -4.058  -4.884
   29    HB3  PRO   3           HB3      PRO   3 -10.391  -3.481  -4.585
   30    HG2  PRO   3           HG2      PRO   3  -8.175  -1.889  -4.263
   31    HG3  PRO   3           HG3      PRO   3  -9.653  -1.714  -3.253
   32    HD2  PRO   3           HD2      PRO   3  -7.072  -3.140  -2.623
   33    HD3  PRO   3           HD3      PRO   3  -8.020  -2.039  -1.587
   34    HA   PRO   4           HA       PRO   4  -9.565  -8.797  -3.705
   35    HB2  PRO   4           HB2      PRO   4  -9.875  -8.261  -6.668
   36    HB3  PRO   4           HB3      PRO   4 -10.513  -9.626  -5.693
   37    HG2  PRO   4           HG2      PRO   4 -12.136  -7.557  -6.301
   38    HG3  PRO   4           HG3      PRO   4 -12.120  -8.193  -4.622
   39    HD2  PRO   4           HD2      PRO   4 -10.701  -5.756  -5.728
   40    HD3  PRO   4           HD3      PRO   4 -11.636  -5.928  -4.208
   41    H    GLY   5           H        GLY   5  -7.681  -9.744  -3.509
   42    HA2  GLY   5           HA2      GLY   5  -5.578 -10.570  -4.015
   43    HA3  GLY   5           HA3      GLY   5  -5.513  -9.546  -5.462
   44    H    TRP   6           H        TRP   6  -6.180  -7.196  -3.355
   45    HA   TRP   6           HA       TRP   6  -3.368  -6.466  -3.042
   46    HB2  TRP   6           HB2      TRP   6  -5.907  -5.032  -2.302
   47    HB3  TRP   6           HB3      TRP   6  -4.283  -4.381  -2.057
   48    HD1  TRP   6           HD1      TRP   6  -6.825  -5.099  -4.770
   49    HE1  TRP   6           HE1      TRP   6  -6.224  -3.820  -6.913
   50    HE3  TRP   6           HE3      TRP   6  -2.107  -3.612  -3.483
   51    HZ2  TRP   6           HZ2      TRP   6  -3.863  -2.634  -8.042
   52    HZ3  TRP   6           HZ3      TRP   6  -0.678  -2.426  -5.142
   53    HH2  TRP   6           HH2      TRP   6  -1.538  -1.927  -7.413
   54    H    GLU   7           H        GLU   7  -2.148  -6.347  -1.304
   55    HA   GLU   7           HA       GLU   7  -3.220  -6.436   1.437
   56    HB2  GLU   7           HB2      GLU   7  -2.867  -8.807   0.718
   57    HB3  GLU   7           HB3      GLU   7  -1.156  -8.446   0.440
   58    HG2  GLU   7           HG2      GLU   7  -0.853  -7.946   2.827
   59    HG3  GLU   7           HG3      GLU   7  -2.587  -8.118   3.112
   60    H    LYS   8           H        LYS   8  -1.604  -5.668   3.015
   61    HA   LYS   8           HA       LYS   8   0.288  -3.719   1.981
   62    HB2  LYS   8           HB2      LYS   8  -0.300  -4.765   4.760
   63    HB3  LYS   8           HB3      LYS   8   1.073  -3.694   4.439
   64    HG2  LYS   8           HG2      LYS   8  -0.369  -1.963   3.526
   65    HG3  LYS   8           HG3      LYS   8  -1.776  -3.036   3.633
   66    HD2  LYS   8           HD2      LYS   8  -1.901  -1.494   5.464
   67    HD3  LYS   8           HD3      LYS   8  -1.501  -3.083   6.132
   68    HE2  LYS   8           HE2      LYS   8   0.922  -2.390   6.214
   69    HE3  LYS   8           HE3      LYS   8   0.462  -0.809   5.573
   70    HZ1  LYS   8           HZ1      LYS   8   0.646  -0.771   7.994
   71    HZ2  LYS   8           HZ2      LYS   8  -0.900  -0.471   7.564
   72    HZ3  LYS   8           HZ3      LYS   8  -0.483  -1.938   8.154
   73    H    ARG   9           H        ARG   9   2.404  -3.658   1.964
   74    HA   ARG   9           HA       ARG   9   4.104  -6.027   2.512
   75    HB2  ARG   9           HB2      ARG   9   3.146  -6.161   0.164
   76    HB3  ARG   9           HB3      ARG   9   4.028  -4.685  -0.234
   77    HG2  ARG   9           HG2      ARG   9   6.158  -5.815   0.077
   78    HG3  ARG   9           HG3      ARG   9   5.359  -7.221   0.827
   79    HD2  ARG   9           HD2      ARG   9   4.236  -7.745  -1.299
   80    HD3  ARG   9           HD3      ARG   9   4.981  -6.313  -2.052
   81    HE   ARG   9           HE       ARG   9   6.917  -8.156  -0.870
   82   HH11  ARG   9          HH11      ARG   9   8.405  -9.121  -2.188
   83   HH12  ARG   9          HH12      ARG   9   8.122  -9.214  -3.904
   84   HH21  ARG   9          HH21      ARG   9   5.093  -7.621  -3.827
   85   HH22  ARG   9          HH22      ARG   9   6.319  -8.372  -4.807
   86    H    MET  10           H        MET  10   6.514  -5.367   2.132
   87    HA   MET  10           HA       MET  10   7.021  -2.514   2.692
   88    HB2  MET  10           HB2      MET  10   6.254  -3.562   4.855
   89    HB3  MET  10           HB3      MET  10   7.620  -4.674   4.750
   90    HG2  MET  10           HG2      MET  10   9.160  -2.662   4.775
   91    HG3  MET  10           HG3      MET  10   7.733  -1.646   4.966
   92    HE1  MET  10           HE1      MET  10  10.306  -4.008   6.581
   93    HE2  MET  10           HE2      MET  10   9.593  -4.425   8.153
   94    HE3  MET  10           HE3      MET  10   8.905  -5.100   6.663
   95    H    PHE  11           H        PHE  11   8.967  -1.857   2.199
   96    HA   PHE  11           HA       PHE  11  10.858  -3.558   0.813
   97    HB2  PHE  11           HB2      PHE  11  10.773  -0.633   1.531
   98    HB3  PHE  11           HB3      PHE  11  12.121  -1.359   0.642
   99    HD1  PHE  11           HD1      PHE  11   8.978   0.263   0.346
  100    HD2  PHE  11           HD2      PHE  11  11.495  -2.673  -1.566
  101    HE1  PHE  11           HE1      PHE  11   7.799   0.652  -1.788
  102    HE2  PHE  11           HE2      PHE  11  10.305  -2.282  -3.714
  103    HZ   PHE  11           HZ       PHE  11   8.461  -0.614  -3.833
  104    H    ALA  12           H        ALA  12  13.201  -3.572   1.213
  105    HA   ALA  12           HA       ALA  12  13.869  -4.527   3.805
  106    HB1  ALA  12           HB1      ALA  12  16.162  -4.581   2.896
  107    HB2  ALA  12           HB2      ALA  12  14.994  -5.191   1.711
  108    HB3  ALA  12           HB3      ALA  12  15.664  -3.550   1.538
  109    H    ASN  13           H        ASN  13  13.880  -1.253   2.602
  110    HA   ASN  13           HA       ASN  13  15.540  -0.133   4.745
  111    HB2  ASN  13           HB2      ASN  13  14.922   2.035   3.717
  112    HB3  ASN  13           HB3      ASN  13  15.580   0.883   2.546
  113   HD21  ASN  13          HD21      ASN  13  14.573   2.391   1.001
  114    H    GLY  14           H        GLY  14  12.391  -1.329   4.783
  115    HA2  GLY  14           HA2      GLY  14  10.938  -1.320   6.599
  116    HA3  GLY  14           HA3      GLY  14  11.737   0.108   7.279
  117    H    THR  15           H        THR  15  10.812   0.452   3.930
  118    HA   THR  15           HA       THR  15   8.624   2.328   4.672
  119    HB   THR  15           HB       THR  15  10.116   1.702   2.095
  120    HG1  THR  15           HG1      THR  15  10.917   3.724   2.412
  121   HG21  THR  15          HG21      THR  15   7.841   3.680   2.501
  122   HG22  THR  15          HG22      THR  15   8.963   3.690   1.121
  123   HG23  THR  15          HG23      THR  15   7.892   2.311   1.360
  124    H    VAL  16           H        VAL  16   6.526   1.862   4.421
  125    HA   VAL  16           HA       VAL  16   5.703  -0.836   3.492
  126    HB   VAL  16           HB       VAL  16   4.345   1.355   5.102
  127   HG11  VAL  16          HG11      VAL  16   2.503  -0.226   5.528
  128   HG12  VAL  16          HG12      VAL  16   2.544   0.273   3.842
  129   HG13  VAL  16          HG13      VAL  16   3.158  -1.336   4.302
  130   HG21  VAL  16          HG21      VAL  16   5.182  -1.487   5.829
  131   HG22  VAL  16          HG22      VAL  16   6.033  -0.003   6.319
  132   HG23  VAL  16          HG23      VAL  16   4.393  -0.323   6.908
  133    H    TYR  17           H        TYR  17   4.173  -1.201   1.950
  134    HA   TYR  17           HA       TYR  17   2.862   0.962   0.450
  135    HB2  TYR  17           HB2      TYR  17   3.776   0.337  -1.686
  136    HB3  TYR  17           HB3      TYR  17   5.094   0.747  -0.626
  137    HD1  TYR  17           HD1      TYR  17   6.501  -1.146   0.415
  138    HD2  TYR  17           HD2      TYR  17   3.709  -1.758  -2.818
  139    HE1  TYR  17           HE1      TYR  17   7.759  -3.168  -0.294
  140    HE2  TYR  17           HE2      TYR  17   4.945  -3.812  -3.492
  141    HH   TYR  17           HH       TYR  17   7.999  -4.760  -1.906
  142    H    TYR  18           H        TYR  18   1.620  -0.265  -1.469
  143    HA   TYR  18           HA       TYR  18   0.239  -2.647  -0.294
  144    HB2  TYR  18           HB2      TYR  18  -0.818  -0.538  -2.208
  145    HB3  TYR  18           HB3      TYR  18  -1.719  -1.903  -1.533
  146    HD1  TYR  18           HD1      TYR  18  -0.531   1.499  -0.955
  147    HD2  TYR  18           HD2      TYR  18  -2.175  -1.999   0.953
  148    HE1  TYR  18           HE1      TYR  18  -1.138   2.870   1.035
  149    HE2  TYR  18           HE2      TYR  18  -2.803  -0.625   2.934
  150    HH   TYR  18           HH       TYR  18  -2.801   1.455   3.868
  151    H    PHE  19           H        PHE  19   0.060  -4.472  -1.483
  152    HA   PHE  19           HA       PHE  19   1.076  -4.513  -4.291
  153    HB2  PHE  19           HB2      PHE  19   2.953  -4.995  -2.886
  154    HB3  PHE  19           HB3      PHE  19   2.031  -6.207  -1.984
  155    HD1  PHE  19           HD1      PHE  19   3.275  -5.335  -5.368
  156    HD2  PHE  19           HD2      PHE  19   1.951  -8.521  -2.776
  157    HE1  PHE  19           HE1      PHE  19   3.900  -6.971  -7.085
  158    HE2  PHE  19           HE2      PHE  19   2.655 -10.181  -4.477
  159    HZ   PHE  19           HZ       PHE  19   3.621  -9.427  -6.643
  160    H    ASN  20           H        ASN  20   0.053  -5.792  -5.693
  161    HA   ASN  20           HA       ASN  20  -2.228  -7.401  -4.686
  162    HB2  ASN  20           HB2      ASN  20  -2.509  -5.617  -6.456
  163    HB3  ASN  20           HB3      ASN  20  -1.591  -6.659  -7.554
  164   HD21  ASN  20          HD21      ASN  20  -4.659  -5.808  -6.844
  165   HD22  ASN  20          HD22      ASN  20  -5.488  -7.323  -7.144
  166    H    HIS  21           H        HIS  21  -1.860  -9.511  -4.322
  167    HA   HIS  21           HA       HIS  21   0.507 -10.837  -5.360
  168    HB2  HIS  21           HB2      HIS  21   0.074 -12.475  -3.853
  169    HB3  HIS  21           HB3      HIS  21  -0.763 -11.132  -3.079
  170    HD2  HIS  21           HD2      HIS  21  -3.397 -11.385  -2.733
  171    HE1  HIS  21           HE1      HIS  21  -3.855 -15.276  -4.412
  172    HE2  HIS  21           HE2      HIS  21  -5.005 -13.445  -3.066
  173    H    ILE  22           H        ILE  22  -2.750 -10.588  -6.550
  174    HA   ILE  22           HA       ILE  22  -2.698 -13.025  -8.178
  175    HB   ILE  22           HB       ILE  22  -4.643 -10.668  -8.145
  176   HG12  ILE  22          HG12      ILE  22  -4.694 -13.314  -6.609
  177   HG13  ILE  22          HG13      ILE  22  -4.534 -11.694  -5.922
  178   HG21  ILE  22          HG21      ILE  22  -4.776 -12.026 -10.212
  179   HG22  ILE  22          HG22      ILE  22  -4.973 -13.497  -9.233
  180   HG23  ILE  22          HG23      ILE  22  -6.214 -12.220  -9.235
  181   HD11  ILE  22          HD11      ILE  22  -6.839 -11.153  -6.792
  182   HD12  ILE  22          HD12      ILE  22  -7.013 -12.880  -7.199
  183   HD13  ILE  22          HD13      ILE  22  -6.759 -12.390  -5.519
  184    H    THR  23           H        THR  23  -2.361  -9.529  -8.660
  185    HA   THR  23           HA       THR  23  -1.844  -9.901 -11.559
  186    HB   THR  23           HB       THR  23  -2.672  -7.762 -11.952
  187    HG1  THR  23           HG1      THR  23  -3.375  -6.651  -9.864
  188   HG21  THR  23          HG21      THR  23  -4.889  -7.707 -11.038
  189   HG22  THR  23          HG22      THR  23  -4.469  -9.411 -11.289
  190   HG23  THR  23          HG23      THR  23  -4.430  -8.715  -9.652
  191    H    ASN  24           H        ASN  24  -0.017  -9.271  -8.837
  192    HA   ASN  24           HA       ASN  24   1.997  -8.490  -8.375
  193    HB2  ASN  24           HB2      ASN  24   2.621  -8.755 -11.334
  194    HB3  ASN  24           HB3      ASN  24   3.800  -8.551 -10.031
  195   HD21  ASN  24          HD21      ASN  24   2.350 -10.874 -11.943
  196   HD22  ASN  24          HD22      ASN  24   2.661 -12.256 -10.887
  197    H    ALA  25           H        ALA  25  -0.222  -6.540  -9.421
  198    HA   ALA  25           HA       ALA  25   1.225  -4.128 -10.078
  199    HB1  ALA  25           HB1      ALA  25  -1.168  -4.476 -10.590
  200    HB2  ALA  25           HB2      ALA  25  -1.537  -4.510  -8.851
  201    HB3  ALA  25           HB3      ALA  25  -0.914  -3.026  -9.602
  202    H    SER  26           H        SER  26   1.587  -2.278  -8.736
  203    HA   SER  26           HA       SER  26   1.644  -2.655  -5.799
  204    HB2  SER  26           HB2      SER  26   3.989  -1.914  -5.664
  205    HB3  SER  26           HB3      SER  26   3.804  -3.478  -6.460
  206    HG   SER  26           HG       SER  26   4.105  -0.987  -7.811
  207    H    GLN  27           H        GLN  27   1.491  -0.761  -4.608
  208    HA   GLN  27           HA       GLN  27   1.800   1.870  -5.897
  209    HB2  GLN  27           HB2      GLN  27  -0.835   0.611  -5.425
  210    HB3  GLN  27           HB3      GLN  27  -0.677   2.137  -4.581
  211    HG2  GLN  27           HG2      GLN  27  -0.176   1.787  -7.553
  212    HG3  GLN  27           HG3      GLN  27  -1.673   2.360  -6.825
  213   HE21  GLN  27          HE21      GLN  27  -0.658   4.058  -8.631
  214   HE22  GLN  27          HE22      GLN  27   0.122   5.424  -7.823
  215    H    PHE  28           H        PHE  28   2.046   3.578  -4.522
  216    HA   PHE  28           HA       PHE  28   2.627   2.986  -1.685
  217    HB2  PHE  28           HB2      PHE  28   3.119   5.417  -3.410
  218    HB3  PHE  28           HB3      PHE  28   3.356   5.396  -1.658
  219    HD1  PHE  28           HD1      PHE  28   4.758   4.384  -4.873
  220    HD2  PHE  28           HD2      PHE  28   5.069   3.893  -0.596
  221    HE1  PHE  28           HE1      PHE  28   7.056   3.480  -5.142
  222    HE2  PHE  28           HE2      PHE  28   7.368   3.001  -0.873
  223    HZ   PHE  28           HZ       PHE  28   8.366   2.792  -3.143
  224    H    GLU  29           H        GLU  29   0.181   4.551  -3.604
  225    HA   GLU  29           HA       GLU  29  -1.267   5.646  -1.275
  226    HB2  GLU  29           HB2      GLU  29  -1.285   6.995  -3.249
  227    HB3  GLU  29           HB3      GLU  29  -1.691   5.622  -4.269
  228    HG2  GLU  29           HG2      GLU  29  -3.552   7.124  -4.108
  229    HG3  GLU  29           HG3      GLU  29  -3.959   5.558  -3.437
  230    H    ARG  30           H        ARG  30  -3.304   4.885  -0.554
  231    HA   ARG  30           HA       ARG  30  -3.618   2.053  -0.537
  232    HB2  ARG  30           HB2      ARG  30  -4.320   3.364   1.306
  233    HB3  ARG  30           HB3      ARG  30  -5.509   4.249   0.353
  234    HG2  ARG  30           HG2      ARG  30  -5.716   1.237   0.500
  235    HG3  ARG  30           HG3      ARG  30  -6.164   2.175   1.930
  236    HD2  ARG  30           HD2      ARG  30  -8.039   3.087   0.977
  237    HD3  ARG  30           HD3      ARG  30  -7.355   3.125  -0.635
  238    HE   ARG  30           HE       ARG  30  -8.061   0.987  -1.098
  239   HH11  ARG  30          HH11      ARG  30 -10.341  -0.954   0.552
  240   HH12  ARG  30          HH12      ARG  30  -9.605  -0.538  -0.977
  241   HH21  ARG  30          HH21      ARG  30  -8.737   1.528   2.309
  242   HH22  ARG  30          HH22      ARG  30  -9.916   0.241   2.354
  243    HA   PRO  31           HA       PRO  31  -5.336   1.750  -4.606
  244    HB2  PRO  31           HB2      PRO  31  -5.774  -0.961  -4.780
  245    HB3  PRO  31           HB3      PRO  31  -4.143  -0.215  -4.782
  246    HG2  PRO  31           HG2      PRO  31  -5.656  -1.358  -2.405
  247    HG3  PRO  31           HG3      PRO  31  -3.974  -1.720  -2.913
  248    HD2  PRO  31           HD2      PRO  31  -4.442   0.091  -0.996
  249    HD3  PRO  31           HD3      PRO  31  -3.215   0.417  -2.256
  250    H    SER  32           H        SER  32  -7.260   1.857  -5.633
  251    HA   SER  32           HA       SER  32  -9.773   1.400  -4.121
  252    HB2  SER  32           HB2      SER  32  -9.218   2.726  -6.799
  253    HB3  SER  32           HB3      SER  32 -10.816   2.577  -6.044
  254    HG   SER  32           HG       SER  32  -9.813   4.584  -5.580
  255    H    GLY  33           H        GLY  33  -7.958  -0.152  -6.661
  256    HA2  GLY  33           HA2      GLY  33  -9.496  -2.524  -6.798
  257    HA3  GLY  33           HA3      GLY  33 -10.046  -1.472  -8.102
  258    H1   GAL 101           H1       GAL  34  11.708   1.674   0.527
  259    H2   GAL 101           H2       GAL  34  13.294   4.125  -0.415
  260    H3   GAL 101           H3       GAL  34  10.424   3.304  -1.090
  261    H4   GAL 101           H4       GAL  34  11.206   2.913  -3.383
  262    H5   GAL 101           H5       GAL  34  11.264   1.010  -1.839
  263    H61  GAL 101           H61      GAL  34  12.832  -0.492  -2.925
  264    H62  GAL 101           H62      GAL  34  12.117   0.588  -4.140
  265    HO2  GAL 101           H2O      GAL  34  11.553   5.219   0.641
  266    HO3  GAL 101           H3O      GAL  34  10.470   5.162  -2.381
  267    HO4  GAL 101           H4O      GAL  34  12.997   4.469  -3.137
  268    HO6  GAL 101           H6O      GAL  34  14.069   1.960  -3.529
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1 -10.732  -5.659   3.762
    2    H2   LYS   1           H2       LYS   1 -11.831  -4.445   3.690
    3    H3   LYS   1           H3       LYS   1 -11.322  -5.002   5.136
    4    HA   LYS   1           HA       LYS   1 -10.336  -2.896   4.696
    5    HB2  LYS   1           HB2      LYS   1  -7.966  -3.419   5.008
    6    HB3  LYS   1           HB3      LYS   1  -9.029  -4.296   6.098
    7    HG2  LYS   1           HG2      LYS   1  -8.728  -6.372   4.815
    8    HG3  LYS   1           HG3      LYS   1  -7.741  -5.520   3.617
    9    HD2  LYS   1           HD2      LYS   1  -6.078  -4.961   5.373
   10    HD3  LYS   1           HD3      LYS   1  -7.017  -5.928   6.538
   11    HE2  LYS   1           HE2      LYS   1  -6.757  -7.927   5.104
   12    HE3  LYS   1           HE3      LYS   1  -5.915  -6.966   3.884
   13    HZ1  LYS   1           HZ1      LYS   1  -4.152  -6.564   5.520
   14    HZ2  LYS   1           HZ2      LYS   1  -4.903  -7.536   6.612
   15    HZ3  LYS   1           HZ3      LYS   1  -4.331  -8.140   5.188
   16    H    LEU   2           H        LEU   2  -9.118  -5.174   2.171
   17    HA   LEU   2           HA       LEU   2  -8.537  -2.826   0.433
   18    HB2  LEU   2           HB2      LEU   2  -6.975  -5.382   0.941
   19    HB3  LEU   2           HB3      LEU   2  -6.593  -4.244  -0.355
   20    HG   LEU   2           HG       LEU   2  -6.589  -3.419   2.571
   21   HD11  LEU   2          HD11      LEU   2  -4.267  -4.315   0.820
   22   HD12  LEU   2          HD12      LEU   2  -4.143  -3.639   2.460
   23   HD13  LEU   2          HD13      LEU   2  -4.933  -5.203   2.209
   24   HD21  LEU   2          HD21      LEU   2  -5.228  -1.555   1.748
   25   HD22  LEU   2          HD22      LEU   2  -5.293  -2.199   0.096
   26   HD23  LEU   2          HD23      LEU   2  -6.762  -1.575   0.879
   27    HA   PRO   3           HA       PRO   3 -10.812  -4.822  -2.774
   28    HB2  PRO   3           HB2      PRO   3  -8.836  -4.132  -4.871
   29    HB3  PRO   3           HB3      PRO   3 -10.504  -3.536  -4.644
   30    HG2  PRO   3           HG2      PRO   3  -8.293  -1.970  -4.169
   31    HG3  PRO   3           HG3      PRO   3  -9.812  -1.815  -3.223
   32    HD2  PRO   3           HD2      PRO   3  -7.293  -3.325  -2.513
   33    HD3  PRO   3           HD3      PRO   3  -8.251  -2.198  -1.511
   34    HA   PRO   4           HA       PRO   4  -9.639  -8.890  -3.751
   35    HB2  PRO   4           HB2      PRO   4  -9.879  -8.382  -6.725
   36    HB3  PRO   4           HB3      PRO   4 -10.519  -9.750  -5.756
   37    HG2  PRO   4           HG2      PRO   4 -12.160  -7.716  -6.433
   38    HG3  PRO   4           HG3      PRO   4 -12.186  -8.342  -4.749
   39    HD2  PRO   4           HD2      PRO   4 -10.779  -5.883  -5.824
   40    HD3  PRO   4           HD3      PRO   4 -11.761  -6.067  -4.336
   41    H    GLY   5           H        GLY   5  -7.742  -9.808  -3.513
   42    HA2  GLY   5           HA2      GLY   5  -5.642 -10.641  -4.011
   43    HA3  GLY   5           HA3      GLY   5  -5.572  -9.617  -5.459
   44    H    TRP   6           H        TRP   6  -6.232  -7.299  -3.293
   45    HA   TRP   6           HA       TRP   6  -3.433  -6.517  -3.071
   46    HB2  TRP   6           HB2      TRP   6  -6.000  -5.195  -2.243
   47    HB3  TRP   6           HB3      TRP   6  -4.405  -4.495  -1.944
   48    HD1  TRP   6           HD1      TRP   6  -6.903  -5.147  -4.705
   49    HE1  TRP   6           HE1      TRP   6  -6.286  -3.797  -6.805
   50    HE3  TRP   6           HE3      TRP   6  -2.210  -3.684  -3.326
   51    HZ2  TRP   6           HZ2      TRP   6  -3.890  -2.645  -7.901
   52    HZ3  TRP   6           HZ3      TRP   6  -0.736  -2.515  -4.960
   53    HH2  TRP   6           HH2      TRP   6  -1.556  -1.992  -7.243
   54    H    GLU   7           H        GLU   7  -2.132  -6.339  -1.383
   55    HA   GLU   7           HA       GLU   7  -3.094  -6.545   1.390
   56    HB2  GLU   7           HB2      GLU   7  -1.447  -8.619   0.015
   57    HB3  GLU   7           HB3      GLU   7  -0.757  -8.053   1.518
   58    HG2  GLU   7           HG2      GLU   7  -3.554  -9.194   1.208
   59    HG3  GLU   7           HG3      GLU   7  -2.142 -10.046   1.823
   60    H    LYS   8           H        LYS   8  -1.426  -5.953   2.963
   61    HA   LYS   8           HA       LYS   8   0.260  -3.709   2.028
   62    HB2  LYS   8           HB2      LYS   8  -0.383  -4.815   4.767
   63    HB3  LYS   8           HB3      LYS   8   0.990  -3.723   4.516
   64    HG2  LYS   8           HG2      LYS   8  -0.471  -2.034   3.482
   65    HG3  LYS   8           HG3      LYS   8  -1.862  -3.119   3.668
   66    HD2  LYS   8           HD2      LYS   8  -1.983  -1.514   5.435
   67    HD3  LYS   8           HD3      LYS   8  -1.481  -3.040   6.179
   68    HE2  LYS   8           HE2      LYS   8   0.905  -2.241   6.119
   69    HE3  LYS   8           HE3      LYS   8   0.360  -0.732   5.380
   70    HZ1  LYS   8           HZ1      LYS   8  -0.936  -0.290   7.395
   71    HZ2  LYS   8           HZ2      LYS   8  -0.443  -1.693   8.076
   72    HZ3  LYS   8           HZ3      LYS   8   0.635  -0.503   7.783
   73    H    ARG   9           H        ARG   9   2.376  -3.533   2.081
   74    HA   ARG   9           HA       ARG   9   4.152  -5.904   2.416
   75    HB2  ARG   9           HB2      ARG   9   3.070  -5.324  -0.070
   76    HB3  ARG   9           HB3      ARG   9   4.448  -4.251  -0.072
   77    HG2  ARG   9           HG2      ARG   9   5.326  -6.134  -1.066
   78    HG3  ARG   9           HG3      ARG   9   5.809  -6.431   0.614
   79    HD2  ARG   9           HD2      ARG   9   3.499  -7.657  -0.953
   80    HD3  ARG   9           HD3      ARG   9   4.962  -8.471  -0.381
   81    HE   ARG   9           HE       ARG   9   2.789  -7.382   1.400
   82   HH11  ARG   9          HH11      ARG   9   5.047 -10.023   0.831
   83   HH12  ARG   9          HH12      ARG   9   4.515 -10.851   2.272
   84   HH21  ARG   9          HH21      ARG   9   2.248  -8.406   3.153
   85   HH22  ARG   9          HH22      ARG   9   2.946  -9.964   3.563
   86    H    MET  10           H        MET  10   6.511  -5.215   2.143
   87    HA   MET  10           HA       MET  10   7.047  -2.411   2.833
   88    HB2  MET  10           HB2      MET  10   6.284  -3.476   4.969
   89    HB3  MET  10           HB3      MET  10   7.605  -4.639   4.826
   90    HG2  MET  10           HG2      MET  10   9.197  -2.640   4.829
   91    HG3  MET  10           HG3      MET  10   7.813  -1.633   5.242
   92    HE1  MET  10           HE1      MET  10   6.654  -1.617   7.651
   93    HE2  MET  10           HE2      MET  10   6.137  -3.290   7.322
   94    HE3  MET  10           HE3      MET  10   6.922  -2.886   8.862
   95    H    PHE  11           H        PHE  11   9.007  -1.759   2.325
   96    HA   PHE  11           HA       PHE  11  10.911  -3.471   0.956
   97    HB2  PHE  11           HB2      PHE  11  10.874  -0.536   1.668
   98    HB3  PHE  11           HB3      PHE  11  12.212  -1.302   0.806
   99    HD1  PHE  11           HD1      PHE  11  11.677  -2.562  -1.412
  100    HD2  PHE  11           HD2      PHE  11   9.027   0.296   0.435
  101    HE1  PHE  11           HE1      PHE  11  10.541  -2.190  -3.593
  102    HE2  PHE  11           HE2      PHE  11   7.920   0.685  -1.730
  103    HZ   PHE  11           HZ       PHE  11   8.670  -0.555  -3.762
  104    H    ALA  12           H        ALA  12  13.228  -3.552   1.399
  105    HA   ALA  12           HA       ALA  12  13.852  -4.470   4.011
  106    HB1  ALA  12           HB1      ALA  12  16.158  -4.554   3.139
  107    HB2  ALA  12           HB2      ALA  12  15.003  -5.168   1.942
  108    HB3  ALA  12           HB3      ALA  12  15.689  -3.535   1.761
  109    H    ASN  13           H        ASN  13  13.908  -1.202   2.774
  110    HA   ASN  13           HA       ASN  13  15.564  -0.116   4.944
  111    HB2  ASN  13           HB2      ASN  13  15.167   2.037   3.862
  112    HB3  ASN  13           HB3      ASN  13  15.691   0.822   2.687
  113   HD21  ASN  13          HD21      ASN  13  14.813   2.461   1.175
  114    H    GLY  14           H        GLY  14  12.404  -1.217   4.963
  115    HA2  GLY  14           HA2      GLY  14  10.908  -1.086   6.741
  116    HA3  GLY  14           HA3      GLY  14  11.724   0.356   7.368
  117    H    THR  15           H        THR  15  10.797   0.442   3.984
  118    HA   THR  15           HA       THR  15   8.695   2.465   4.554
  119    HB   THR  15           HB       THR  15   9.990   1.543   1.964
  120    HG1  THR  15           HG1      THR  15  11.404   2.555   3.232
  121   HG21  THR  15          HG21      THR  15   7.871   2.475   1.374
  122   HG22  THR  15          HG22      THR  15   8.088   3.838   2.508
  123   HG23  THR  15          HG23      THR  15   9.102   3.700   1.053
  124    H    VAL  16           H        VAL  16   6.543   2.075   4.295
  125    HA   VAL  16           HA       VAL  16   5.665  -0.663   3.537
  126    HB   VAL  16           HB       VAL  16   4.310   1.671   4.937
  127   HG11  VAL  16          HG11      VAL  16   3.072  -1.031   4.249
  128   HG12  VAL  16          HG12      VAL  16   2.395   0.170   5.373
  129   HG13  VAL  16          HG13      VAL  16   2.530   0.562   3.664
  130   HG21  VAL  16          HG21      VAL  16   4.236   0.100   6.841
  131   HG22  VAL  16          HG22      VAL  16   5.026  -1.147   5.857
  132   HG23  VAL  16          HG23      VAL  16   5.905   0.338   6.297
  133    H    TYR  17           H        TYR  17   4.232  -1.108   1.944
  134    HA   TYR  17           HA       TYR  17   2.977   0.977   0.303
  135    HB2  TYR  17           HB2      TYR  17   3.898   0.223  -1.794
  136    HB3  TYR  17           HB3      TYR  17   5.196   0.721  -0.747
  137    HD1  TYR  17           HD1      TYR  17   6.637  -1.068   0.406
  138    HD2  TYR  17           HD2      TYR  17   3.875  -1.949  -2.792
  139    HE1  TYR  17           HE1      TYR  17   7.955  -3.090  -0.188
  140    HE2  TYR  17           HE2      TYR  17   5.167  -4.002  -3.341
  141    HH   TYR  17           HH       TYR  17   8.215  -4.809  -1.651
  142    H    TYR  18           H        TYR  18   1.760  -0.308  -1.569
  143    HA   TYR  18           HA       TYR  18   0.393  -2.675  -0.367
  144    HB2  TYR  18           HB2      TYR  18  -0.724  -0.520  -2.185
  145    HB3  TYR  18           HB3      TYR  18  -1.584  -1.971  -1.650
  146    HD1  TYR  18           HD1      TYR  18  -2.324  -2.240   0.699
  147    HD2  TYR  18           HD2      TYR  18  -0.319   1.337  -0.647
  148    HE1  TYR  18           HE1      TYR  18  -3.057  -1.052   2.760
  149    HE2  TYR  18           HE2      TYR  18  -1.036   2.518   1.433
  150    HH   TYR  18           HH       TYR  18  -3.053   0.914   3.913
  151    H    PHE  19           H        PHE  19   0.057  -4.478  -1.579
  152    HA   PHE  19           HA       PHE  19   1.062  -4.546  -4.386
  153    HB2  PHE  19           HB2      PHE  19   2.967  -5.067  -3.017
  154    HB3  PHE  19           HB3      PHE  19   2.040  -6.267  -2.105
  155    HD1  PHE  19           HD1      PHE  19   3.216  -5.389  -5.509
  156    HD2  PHE  19           HD2      PHE  19   1.918  -8.583  -2.914
  157    HE1  PHE  19           HE1      PHE  19   3.779  -7.013  -7.255
  158    HE2  PHE  19           HE2      PHE  19   2.565 -10.234  -4.645
  159    HZ   PHE  19           HZ       PHE  19   3.490  -9.472  -6.826
  160    H    ASN  20           H        ASN  20   0.007  -5.837  -5.764
  161    HA   ASN  20           HA       ASN  20  -2.263  -7.431  -4.700
  162    HB2  ASN  20           HB2      ASN  20  -2.601  -5.622  -6.428
  163    HB3  ASN  20           HB3      ASN  20  -1.716  -6.640  -7.575
  164   HD21  ASN  20          HD21      ASN  20  -4.760  -5.805  -6.759
  165   HD22  ASN  20          HD22      ASN  20  -5.601  -7.314  -7.050
  166    H    HIS  21           H        HIS  21  -1.922  -9.549  -4.399
  167    HA   HIS  21           HA       HIS  21   0.413 -10.877  -5.506
  168    HB2  HIS  21           HB2      HIS  21   0.007 -12.520  -4.001
  169    HB3  HIS  21           HB3      HIS  21  -0.827 -11.191  -3.202
  170    HD2  HIS  21           HD2      HIS  21  -3.451 -11.467  -2.816
  171    HE1  HIS  21           HE1      HIS  21  -3.917 -15.334  -4.545
  172    HE2  HIS  21           HE2      HIS  21  -5.054 -13.529  -3.155
  173    H    ILE  22           H        ILE  22  -2.871 -10.589  -6.618
  174    HA   ILE  22           HA       ILE  22  -2.864 -13.002  -8.285
  175    HB   ILE  22           HB       ILE  22  -4.796 -10.637  -8.157
  176   HG12  ILE  22          HG12      ILE  22  -4.824 -13.330  -6.702
  177   HG13  ILE  22          HG13      ILE  22  -4.649 -11.731  -5.971
  178   HG21  ILE  22          HG21      ILE  22  -6.398 -12.148  -9.262
  179   HG22  ILE  22          HG22      ILE  22  -4.981 -11.927 -10.263
  180   HG23  ILE  22          HG23      ILE  22  -5.164 -13.429  -9.329
  181   HD11  ILE  22          HD11      ILE  22  -6.869 -12.438  -5.547
  182   HD12  ILE  22          HD12      ILE  22  -6.973 -11.167  -6.783
  183   HD13  ILE  22          HD13      ILE  22  -7.154 -12.881  -7.235
  184    H    THR  23           H        THR  23  -2.521  -9.501  -8.719
  185    HA   THR  23           HA       THR  23  -2.080  -9.829 -11.635
  186    HB   THR  23           HB       THR  23  -2.888  -7.671 -11.967
  187    HG1  THR  23           HG1      THR  23  -3.522  -6.600  -9.830
  188   HG21  THR  23          HG21      THR  23  -4.598  -8.646  -9.640
  189   HG22  THR  23          HG22      THR  23  -5.080  -7.603 -10.991
  190   HG23  THR  23          HG23      THR  23  -4.690  -9.306 -11.289
  191    H    ASN  24           H        ASN  24  -0.175  -9.258  -8.949
  192    HA   ASN  24           HA       ASN  24   1.858  -8.505  -8.529
  193    HB2  ASN  24           HB2      ASN  24   2.404  -8.759 -11.504
  194    HB3  ASN  24           HB3      ASN  24   3.619  -8.575 -10.233
  195   HD21  ASN  24          HD21      ASN  24   2.162 -10.872 -12.136
  196   HD22  ASN  24          HD22      ASN  24   2.458 -12.262 -11.085
  197    H    ALA  25           H        ALA  25  -0.357  -6.515  -9.517
  198    HA   ALA  25           HA       ALA  25   1.117  -4.112 -10.165
  199    HB1  ALA  25           HB1      ALA  25  -1.290  -4.412 -10.644
  200    HB2  ALA  25           HB2      ALA  25  -1.631  -4.481  -8.899
  201    HB3  ALA  25           HB3      ALA  25  -1.000  -2.988  -9.626
  202    H    SER  26           H        SER  26   1.553  -2.299  -8.791
  203    HA   SER  26           HA       SER  26   1.513  -2.716  -5.865
  204    HB2  SER  26           HB2      SER  26   3.823  -2.004  -5.589
  205    HB3  SER  26           HB3      SER  26   3.710  -3.509  -6.506
  206    HG   SER  26           HG       SER  26   5.183  -2.068  -7.460
  207    H    GLN  27           H        GLN  27   1.535  -0.806  -4.624
  208    HA   GLN  27           HA       GLN  27   1.639   1.832  -5.958
  209    HB2  GLN  27           HB2      GLN  27  -0.834   0.769  -4.522
  210    HB3  GLN  27           HB3      GLN  27  -0.468   2.490  -4.711
  211    HG2  GLN  27           HG2      GLN  27  -0.426   2.233  -7.154
  212    HG3  GLN  27           HG3      GLN  27  -0.963   0.549  -6.974
  213   HE21  GLN  27          HE21      GLN  27  -2.479   2.594  -4.574
  214   HE22  GLN  27          HE22      GLN  27  -3.926   2.931  -5.528
  215    H    PHE  28           H        PHE  28   2.301   3.482  -4.686
  216    HA   PHE  28           HA       PHE  28   3.036   2.950  -1.903
  217    HB2  PHE  28           HB2      PHE  28   3.442   5.307  -3.724
  218    HB3  PHE  28           HB3      PHE  28   3.730   5.408  -1.984
  219    HD1  PHE  28           HD1      PHE  28   4.986   4.025  -5.151
  220    HD2  PHE  28           HD2      PHE  28   5.502   4.104  -0.868
  221    HE1  PHE  28           HE1      PHE  28   7.275   3.092  -5.408
  222    HE2  PHE  28           HE2      PHE  28   7.795   3.188  -1.132
  223    HZ   PHE  28           HZ       PHE  28   8.686   2.680  -3.401
  224    H    GLU  29           H        GLU  29   0.252   4.110  -3.426
  225    HA   GLU  29           HA       GLU  29  -0.876   5.183  -0.882
  226    HB2  GLU  29           HB2      GLU  29  -0.848   6.918  -2.497
  227    HB3  GLU  29           HB3      GLU  29  -1.384   5.848  -3.779
  228    HG2  GLU  29           HG2      GLU  29  -3.113   7.403  -3.232
  229    HG3  GLU  29           HG3      GLU  29  -3.636   5.765  -2.890
  230    H    ARG  30           H        ARG  30  -2.958   4.585  -0.272
  231    HA   ARG  30           HA       ARG  30  -3.493   1.835  -0.383
  232    HB2  ARG  30           HB2      ARG  30  -4.104   3.196   1.463
  233    HB3  ARG  30           HB3      ARG  30  -5.201   4.180   0.506
  234    HG2  ARG  30           HG2      ARG  30  -5.693   1.201   0.715
  235    HG3  ARG  30           HG3      ARG  30  -6.063   2.233   2.104
  236    HD2  ARG  30           HD2      ARG  30  -7.850   3.242   1.120
  237    HD3  ARG  30           HD3      ARG  30  -7.118   3.267  -0.474
  238    HE   ARG  30           HE       ARG  30  -8.116   1.288  -1.024
  239   HH11  ARG  30          HH11      ARG  30  -9.506  -0.369  -0.842
  240   HH12  ARG  30          HH12      ARG  30  -9.899  -1.007   0.753
  241   HH21  ARG  30          HH21      ARG  30  -8.197   1.343   2.504
  242   HH22  ARG  30          HH22      ARG  30  -9.137  -0.141   2.528
  243    HA   PRO  31           HA       PRO  31  -5.263   1.567  -4.409
  244    HB2  PRO  31           HB2      PRO  31  -5.888  -1.093  -4.554
  245    HB3  PRO  31           HB3      PRO  31  -4.205  -0.477  -4.500
  246    HG2  PRO  31           HG2      PRO  31  -5.894  -1.456  -2.170
  247    HG3  PRO  31           HG3      PRO  31  -4.228  -1.963  -2.608
  248    HD2  PRO  31           HD2      PRO  31  -4.636  -0.084  -0.736
  249    HD3  PRO  31           HD3      PRO  31  -3.320   0.106  -1.934
  250    H    SER  32           H        SER  32  -7.126   1.828  -5.469
  251    HA   SER  32           HA       SER  32  -9.713   1.630  -4.041
  252    HB2  SER  32           HB2      SER  32  -9.115   3.657  -5.311
  253    HB3  SER  32           HB3      SER  32  -9.004   2.698  -6.797
  254    HG   SER  32           HG       SER  32 -11.032   3.756  -6.540
  255    H    GLY  33           H        GLY  33  -7.995   0.031  -6.668
  256    HA2  GLY  33           HA2      GLY  33  -9.491  -2.398  -6.629
  257    HA3  GLY  33           HA3      GLY  33 -10.105  -1.386  -7.936
  258    H1   GAL 101           H1       GAL  34  11.873   2.094   0.781
  259    H2   GAL 101           H2       GAL  34  13.683   4.354  -0.229
  260    H3   GAL 101           H3       GAL  34  10.687   3.889  -0.631
  261    H4   GAL 101           H4       GAL  34  11.192   3.446  -2.977
  262    H5   GAL 101           H5       GAL  34  11.236   1.498  -1.505
  263    H61  GAL 101           H61      GAL  34  12.607  -0.088  -2.742
  264    H62  GAL 101           H62      GAL  34  11.867   1.064  -3.873
  265    HO2  GAL 101           H2O      GAL  34  11.672   4.225   1.812
  266    HO3  GAL 101           H3O      GAL  34  11.529   6.111  -0.568
  267    HO4  GAL 101           H4O      GAL  34  13.101   4.841  -2.909
  268    HO6  GAL 101           H6O      GAL  34  13.954   2.284  -3.422
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1 -12.058  -3.981   4.409
    2    H2   LYS   1           H2       LYS   1 -11.005  -4.774   3.443
    3    H3   LYS   1           H3       LYS   1 -12.213  -3.881   2.787
    4    HA   LYS   1           HA       LYS   1 -11.308  -1.851   3.649
    5    HB2  LYS   1           HB2      LYS   1 -10.273  -2.824   5.661
    6    HB3  LYS   1           HB3      LYS   1  -9.022  -3.581   4.672
    7    HG2  LYS   1           HG2      LYS   1  -8.280  -1.294   3.925
    8    HG3  LYS   1           HG3      LYS   1  -9.527  -0.586   4.969
    9    HD2  LYS   1           HD2      LYS   1  -8.433  -1.641   6.956
   10    HD3  LYS   1           HD3      LYS   1  -7.229  -2.377   5.892
   11    HE2  LYS   1           HE2      LYS   1  -6.216  -0.459   6.889
   12    HE3  LYS   1           HE3      LYS   1  -6.479  -0.104   5.179
   13    HZ1  LYS   1           HZ1      LYS   1  -8.454   1.181   5.833
   14    HZ2  LYS   1           HZ2      LYS   1  -8.212   0.825   7.411
   15    HZ3  LYS   1           HZ3      LYS   1  -7.137   1.751   6.609
   16    H    LEU   2           H        LEU   2  -8.714  -4.099   2.553
   17    HA   LEU   2           HA       LEU   2  -8.136  -2.463   0.201
   18    HB2  LEU   2           HB2      LEU   2  -7.039  -4.940   1.515
   19    HB3  LEU   2           HB3      LEU   2  -6.726  -4.711  -0.203
   20    HG   LEU   2           HG       LEU   2  -5.561  -2.650   0.146
   21   HD11  LEU   2          HD11      LEU   2  -6.740  -1.631   2.030
   22   HD12  LEU   2          HD12      LEU   2  -6.143  -2.911   3.120
   23   HD13  LEU   2          HD13      LEU   2  -5.010  -1.762   2.362
   24   HD21  LEU   2          HD21      LEU   2  -4.289  -4.702   0.406
   25   HD22  LEU   2          HD22      LEU   2  -3.663  -3.494   1.531
   26   HD23  LEU   2          HD23      LEU   2  -4.705  -4.796   2.131
   27    HA   PRO   3           HA       PRO   3 -10.866  -4.729  -2.581
   28    HB2  PRO   3           HB2      PRO   3  -8.930  -4.326  -4.801
   29    HB3  PRO   3           HB3      PRO   3 -10.606  -3.730  -4.640
   30    HG2  PRO   3           HG2      PRO   3  -8.436  -2.073  -4.413
   31    HG3  PRO   3           HG3      PRO   3  -9.924  -1.834  -3.438
   32    HD2  PRO   3           HD2      PRO   3  -7.346  -3.212  -2.633
   33    HD3  PRO   3           HD3      PRO   3  -8.305  -1.973  -1.758
   34    HA   PRO   4           HA       PRO   4  -9.607  -8.909  -3.151
   35    HB2  PRO   4           HB2      PRO   4 -10.187  -8.736  -6.113
   36    HB3  PRO   4           HB3      PRO   4 -10.682  -9.997  -4.935
   37    HG2  PRO   4           HG2      PRO   4 -12.448  -8.090  -5.673
   38    HG3  PRO   4           HG3      PRO   4 -12.295  -8.523  -3.936
   39    HD2  PRO   4           HD2      PRO   4 -11.064  -6.173  -5.404
   40    HD3  PRO   4           HD3      PRO   4 -11.913  -6.203  -3.826
   41    H    GLY   5           H        GLY   5  -7.733  -9.972  -3.280
   42    HA2  GLY   5           HA2      GLY   5  -5.661 -10.707  -3.983
   43    HA3  GLY   5           HA3      GLY   5  -5.785  -9.682  -5.426
   44    H    TRP   6           H        TRP   6  -6.254  -7.340  -3.293
   45    HA   TRP   6           HA       TRP   6  -3.435  -6.581  -3.154
   46    HB2  TRP   6           HB2      TRP   6  -5.962  -5.194  -2.281
   47    HB3  TRP   6           HB3      TRP   6  -4.340  -4.548  -2.028
   48    HD1  TRP   6           HD1      TRP   6  -6.883  -5.192  -4.772
   49    HE1  TRP   6           HE1      TRP   6  -6.284  -3.803  -6.854
   50    HE3  TRP   6           HE3      TRP   6  -2.198  -3.698  -3.384
   51    HZ2  TRP   6           HZ2      TRP   6  -3.934  -2.467  -7.891
   52    HZ3  TRP   6           HZ3      TRP   6  -0.766  -2.423  -4.972
   53    HH2  TRP   6           HH2      TRP   6  -1.621  -1.801  -7.214
   54    H    GLU   7           H        GLU   7  -2.109  -6.434  -1.480
   55    HA   GLU   7           HA       GLU   7  -3.039  -6.729   1.315
   56    HB2  GLU   7           HB2      GLU   7  -0.873  -8.404  -0.026
   57    HB3  GLU   7           HB3      GLU   7  -1.013  -8.238   1.717
   58    HG2  GLU   7           HG2      GLU   7  -3.111  -9.472  -0.117
   59    HG3  GLU   7           HG3      GLU   7  -1.950 -10.343   0.866
   60    H    LYS   8           H        LYS   8  -1.508  -5.886   2.876
   61    HA   LYS   8           HA       LYS   8   0.204  -3.709   1.870
   62    HB2  LYS   8           HB2      LYS   8  -0.501  -4.714   4.630
   63    HB3  LYS   8           HB3      LYS   8   0.916  -3.681   4.385
   64    HG2  LYS   8           HG2      LYS   8  -0.440  -1.948   3.314
   65    HG3  LYS   8           HG3      LYS   8  -1.880  -2.977   3.433
   66    HD2  LYS   8           HD2      LYS   8  -1.980  -1.331   5.187
   67    HD3  LYS   8           HD3      LYS   8  -1.672  -2.905   5.936
   68    HE2  LYS   8           HE2      LYS   8   0.771  -2.325   6.077
   69    HE3  LYS   8           HE3      LYS   8   0.425  -0.764   5.329
   70    HZ1  LYS   8           HZ1      LYS   8   0.525  -0.593   7.749
   71    HZ2  LYS   8           HZ2      LYS   8  -0.984  -0.232   7.242
   72    HZ3  LYS   8           HZ3      LYS   8  -0.676  -1.682   7.931
   73    H    ARG   9           H        ARG   9   2.360  -3.569   1.921
   74    HA   ARG   9           HA       ARG   9   4.069  -5.935   2.491
   75    HB2  ARG   9           HB2      ARG   9   3.121  -6.022   0.123
   76    HB3  ARG   9           HB3      ARG   9   4.055  -4.569  -0.241
   77    HG2  ARG   9           HG2      ARG   9   6.142  -5.762   0.087
   78    HG3  ARG   9           HG3      ARG   9   5.298  -7.145   0.831
   79    HD2  ARG   9           HD2      ARG   9   4.192  -7.664  -1.292
   80    HD3  ARG   9           HD3      ARG   9   4.944  -6.237  -2.049
   81    HE   ARG   9           HE       ARG   9   6.864  -8.099  -0.866
   82   HH11  ARG   9          HH11      ARG   9   5.056  -7.552  -3.831
   83   HH12  ARG   9          HH12      ARG   9   6.304  -8.264  -4.810
   84   HH21  ARG   9          HH21      ARG   9   8.365  -9.044  -2.182
   85   HH22  ARG   9          HH22      ARG   9   8.102  -9.110  -3.902
   86    H    MET  10           H        MET  10   6.471  -5.300   2.173
   87    HA   MET  10           HA       MET  10   7.008  -2.455   2.729
   88    HB2  MET  10           HB2      MET  10   6.179  -3.476   4.884
   89    HB3  MET  10           HB3      MET  10   7.537  -4.603   4.819
   90    HG2  MET  10           HG2      MET  10   9.094  -2.600   4.850
   91    HG3  MET  10           HG3      MET  10   7.671  -1.574   5.011
   92    HE1  MET  10           HE1      MET  10   9.461  -4.343   8.247
   93    HE2  MET  10           HE2      MET  10   8.793  -5.024   6.750
   94    HE3  MET  10           HE3      MET  10  10.203  -3.940   6.684
   95    H    PHE  11           H        PHE  11   8.972  -1.834   2.255
   96    HA   PHE  11           HA       PHE  11  10.866  -3.587   0.941
   97    HB2  PHE  11           HB2      PHE  11  10.834  -0.651   1.626
   98    HB3  PHE  11           HB3      PHE  11  12.183  -1.423   0.780
   99    HD1  PHE  11           HD1      PHE  11   9.052   0.229   0.390
  100    HD2  PHE  11           HD2      PHE  11  11.614  -2.724  -1.431
  101    HE1  PHE  11           HE1      PHE  11   7.925   0.598  -1.780
  102    HE2  PHE  11           HE2      PHE  11  10.479  -2.353  -3.612
  103    HZ   PHE  11           HZ       PHE  11   8.639  -0.686  -3.793
  104    H    ALA  12           H        ALA  12  13.188  -3.676   1.401
  105    HA   ALA  12           HA       ALA  12  13.770  -4.597   4.027
  106    HB1  ALA  12           HB1      ALA  12  14.929  -5.326   1.971
  107    HB2  ALA  12           HB2      ALA  12  15.642  -3.705   1.788
  108    HB3  ALA  12           HB3      ALA  12  16.083  -4.722   3.175
  109    H    ASN  13           H        ASN  13  13.889  -1.349   2.761
  110    HA   ASN  13           HA       ASN  13  15.525  -0.234   4.926
  111    HB2  ASN  13           HB2      ASN  13  15.032   1.924   3.833
  112    HB3  ASN  13           HB3      ASN  13  15.657   0.717   2.697
  113   HD21  ASN  13          HD21      ASN  13  14.764   2.182   1.071
  114    H    GLY  14           H        GLY  14  12.342  -1.330   4.904
  115    HA2  GLY  14           HA2      GLY  14  10.864  -1.250   6.697
  116    HA3  GLY  14           HA3      GLY  14  11.681   0.176   7.357
  117    H    THR  15           H        THR  15  10.813   0.484   3.991
  118    HA   THR  15           HA       THR  15   8.627   2.392   4.674
  119    HB   THR  15           HB       THR  15  10.175   1.726   2.139
  120    HG1  THR  15           HG1      THR  15  10.918   3.782   2.432
  121   HG21  THR  15          HG21      THR  15   7.967   2.312   1.328
  122   HG22  THR  15          HG22      THR  15   7.878   3.697   2.445
  123   HG23  THR  15          HG23      THR  15   9.042   3.693   1.100
  124    H    VAL  16           H        VAL  16   6.527   1.950   4.372
  125    HA   VAL  16           HA       VAL  16   5.693  -0.755   3.471
  126    HB   VAL  16           HB       VAL  16   4.347   1.485   5.023
  127   HG11  VAL  16          HG11      VAL  16   2.425  -0.013   5.388
  128   HG12  VAL  16          HG12      VAL  16   2.542   0.484   3.704
  129   HG13  VAL  16          HG13      VAL  16   3.069  -1.151   4.181
  130   HG21  VAL  16          HG21      VAL  16   4.269  -0.196   6.823
  131   HG22  VAL  16          HG22      VAL  16   5.035  -1.392   5.764
  132   HG23  VAL  16          HG23      VAL  16   5.939   0.050   6.282
  133    H    TYR  17           H        TYR  17   4.202  -1.121   1.895
  134    HA   TYR  17           HA       TYR  17   2.955   1.028   0.328
  135    HB2  TYR  17           HB2      TYR  17   3.909   0.369  -1.774
  136    HB3  TYR  17           HB3      TYR  17   5.211   0.768  -0.695
  137    HD1  TYR  17           HD1      TYR  17   6.532  -1.168   0.422
  138    HD2  TYR  17           HD2      TYR  17   3.863  -1.706  -2.929
  139    HE1  TYR  17           HE1      TYR  17   7.773  -3.221  -0.252
  140    HE2  TYR  17           HE2      TYR  17   5.081  -3.771  -3.570
  141    HH   TYR  17           HH       TYR  17   6.989  -5.006  -3.228
  142    H    TYR  18           H        TYR  18   1.752  -0.223  -1.594
  143    HA   TYR  18           HA       TYR  18   0.324  -2.570  -0.404
  144    HB2  TYR  18           HB2      TYR  18  -0.716  -0.419  -2.278
  145    HB3  TYR  18           HB3      TYR  18  -1.628  -1.796  -1.642
  146    HD1  TYR  18           HD1      TYR  18  -0.134   1.489  -0.839
  147    HD2  TYR  18           HD2      TYR  18  -2.400  -1.846   0.706
  148    HE1  TYR  18           HE1      TYR  18  -0.693   2.811   1.192
  149    HE2  TYR  18           HE2      TYR  18  -2.937  -0.532   2.743
  150    HH   TYR  18           HH       TYR  18  -1.771   2.818   3.204
  151    H    PHE  19           H        PHE  19   0.024  -4.373  -1.623
  152    HA   PHE  19           HA       PHE  19   1.025  -4.436  -4.428
  153    HB2  PHE  19           HB2      PHE  19   2.946  -4.861  -3.054
  154    HB3  PHE  19           HB3      PHE  19   2.070  -6.081  -2.118
  155    HD1  PHE  19           HD1      PHE  19   3.187  -5.221  -5.548
  156    HD2  PHE  19           HD2      PHE  19   2.069  -8.407  -2.866
  157    HE1  PHE  19           HE1      PHE  19   3.825  -6.855  -7.257
  158    HE2  PHE  19           HE2      PHE  19   2.787 -10.070  -4.562
  159    HZ   PHE  19           HZ       PHE  19   3.656  -9.316  -6.768
  160    H    ASN  20           H        ASN  20  -0.068  -5.715  -5.790
  161    HA   ASN  20           HA       ASN  20  -2.220  -7.429  -4.672
  162    HB2  ASN  20           HB2      ASN  20  -2.689  -5.676  -6.433
  163    HB3  ASN  20           HB3      ASN  20  -1.762  -6.670  -7.568
  164   HD21  ASN  20          HD21      ASN  20  -5.593  -7.597  -6.904
  165   HD22  ASN  20          HD22      ASN  20  -4.865  -6.041  -6.520
  166    H    HIS  21           H        HIS  21  -1.804  -9.522  -4.356
  167    HA   HIS  21           HA       HIS  21   0.634 -10.719  -5.398
  168    HB2  HIS  21           HB2      HIS  21   0.281 -12.408  -3.897
  169    HB3  HIS  21           HB3      HIS  21  -0.516 -11.057  -3.094
  170    HD2  HIS  21           HD2      HIS  21  -3.145 -11.294  -2.641
  171    HE1  HIS  21           HE1      HIS  21  -3.647 -15.234  -4.187
  172    HE2  HIS  21           HE2      HIS  21  -4.749 -13.372  -2.845
  173    H    ILE  22           H        ILE  22  -2.612 -10.632  -6.589
  174    HA   ILE  22           HA       ILE  22  -2.431 -13.093  -8.182
  175    HB   ILE  22           HB       ILE  22  -4.553 -10.900  -8.178
  176   HG12  ILE  22          HG12      ILE  22  -4.330 -13.408  -6.448
  177   HG13  ILE  22          HG13      ILE  22  -4.327 -11.726  -5.892
  178   HG21  ILE  22          HG21      ILE  22  -4.681 -13.820  -9.043
  179   HG22  ILE  22          HG22      ILE  22  -6.013 -12.641  -9.114
  180   HG23  ILE  22          HG23      ILE  22  -4.607 -12.420 -10.137
  181   HD11  ILE  22          HD11      ILE  22  -6.443 -12.623  -5.368
  182   HD12  ILE  22          HD12      ILE  22  -6.689 -11.500  -6.723
  183   HD13  ILE  22          HD13      ILE  22  -6.690 -13.262  -7.001
  184    H    THR  23           H        THR  23  -2.382  -9.580  -8.691
  185    HA   THR  23           HA       THR  23  -1.886  -9.924 -11.596
  186    HB   THR  23           HB       THR  23  -2.796  -7.810 -11.962
  187    HG1  THR  23           HG1      THR  23  -3.517  -6.779  -9.819
  188   HG21  THR  23          HG21      THR  23  -4.480  -8.855  -9.647
  189   HG22  THR  23          HG22      THR  23  -4.999  -7.847 -11.013
  190   HG23  THR  23          HG23      THR  23  -4.517  -9.530 -11.292
  191    H    ASN  24           H        ASN  24  -0.044  -9.211  -8.898
  192    HA   ASN  24           HA       ASN  24   1.949  -8.358  -8.474
  193    HB2  ASN  24           HB2      ASN  24   2.535  -8.603 -11.442
  194    HB3  ASN  24           HB3      ASN  24   3.726  -8.367 -10.155
  195   HD21  ASN  24          HD21      ASN  24   2.353 -10.725 -12.065
  196   HD22  ASN  24          HD22      ASN  24   2.707 -12.102 -11.016
  197    H    ALA  25           H        ALA  25  -0.356  -6.482  -9.483
  198    HA   ALA  25           HA       ALA  25   0.988  -4.022 -10.169
  199    HB1  ALA  25           HB1      ALA  25  -1.159  -2.987  -9.574
  200    HB2  ALA  25           HB2      ALA  25  -1.415  -4.430 -10.573
  201    HB3  ALA  25           HB3      ALA  25  -1.701  -4.500  -8.819
  202    H    SER  26           H        SER  26   1.451  -2.196  -8.831
  203    HA   SER  26           HA       SER  26   1.502  -2.576  -5.899
  204    HB2  SER  26           HB2      SER  26   3.822  -1.863  -5.707
  205    HB3  SER  26           HB3      SER  26   3.672  -3.384  -6.591
  206    HG   SER  26           HG       SER  26   5.121  -1.969  -7.617
  207    H    GLN  27           H        GLN  27   1.515  -0.669  -4.680
  208    HA   GLN  27           HA       GLN  27   1.673   1.974  -5.997
  209    HB2  GLN  27           HB2      GLN  27  -0.831   0.946  -4.594
  210    HB3  GLN  27           HB3      GLN  27  -0.436   2.665  -4.779
  211    HG2  GLN  27           HG2      GLN  27  -0.478   2.522  -7.167
  212    HG3  GLN  27           HG3      GLN  27  -0.885   0.789  -7.097
  213   HE21  GLN  27          HE21      GLN  27  -2.465   2.712  -4.603
  214   HE22  GLN  27          HE22      GLN  27  -3.985   2.893  -5.479
  215    H    PHE  28           H        PHE  28   2.209   3.652  -4.662
  216    HA   PHE  28           HA       PHE  28   2.909   3.063  -1.869
  217    HB2  PHE  28           HB2      PHE  28   3.407   5.436  -3.646
  218    HB3  PHE  28           HB3      PHE  28   3.665   5.493  -1.900
  219    HD1  PHE  28           HD1      PHE  28   5.325   3.996  -0.778
  220    HD2  PHE  28           HD2      PHE  28   5.007   4.272  -5.072
  221    HE1  PHE  28           HE1      PHE  28   7.597   3.022  -1.014
  222    HE2  PHE  28           HE2      PHE  28   7.275   3.285  -5.302
  223    HZ   PHE  28           HZ       PHE  28   8.577   2.667  -3.274
  224    H    GLU  29           H        GLU  29   0.267   4.493  -3.509
  225    HA   GLU  29           HA       GLU  29  -0.997   5.420  -0.968
  226    HB2  GLU  29           HB2      GLU  29  -1.036   7.149  -2.596
  227    HB3  GLU  29           HB3      GLU  29  -1.459   6.038  -3.887
  228    HG2  GLU  29           HG2      GLU  29  -3.296   7.496  -3.399
  229    HG3  GLU  29           HG3      GLU  29  -3.728   5.825  -3.093
  230    H    ARG  30           H        ARG  30  -3.174   4.649  -0.476
  231    HA   ARG  30           HA       ARG  30  -3.265   1.846  -0.738
  232    HB2  ARG  30           HB2      ARG  30  -5.306   1.806   0.438
  233    HB3  ARG  30           HB3      ARG  30  -4.284   3.027   1.152
  234    HG2  ARG  30           HG2      ARG  30  -5.695   4.736   0.653
  235    HG3  ARG  30           HG3      ARG  30  -6.203   4.079  -0.907
  236    HD2  ARG  30           HD2      ARG  30  -7.126   3.056   1.794
  237    HD3  ARG  30           HD3      ARG  30  -8.045   4.144   0.740
  238    HE   ARG  30           HE       ARG  30  -7.594   2.028  -0.948
  239   HH11  ARG  30          HH11      ARG  30  -8.957   2.054   2.304
  240   HH12  ARG  30          HH12      ARG  30  -9.852   0.582   1.979
  241   HH21  ARG  30          HH21      ARG  30  -8.772   0.276  -1.240
  242   HH22  ARG  30          HH22      ARG  30  -9.718  -0.421   0.088
  243    HA   PRO  31           HA       PRO  31  -5.181   1.058  -4.625
  244    HB2  PRO  31           HB2      PRO  31  -6.113  -1.484  -4.265
  245    HB3  PRO  31           HB3      PRO  31  -4.368  -1.071  -4.375
  246    HG2  PRO  31           HG2      PRO  31  -6.043  -1.471  -1.871
  247    HG3  PRO  31           HG3      PRO  31  -4.450  -2.204  -2.260
  248    HD2  PRO  31           HD2      PRO  31  -4.669   0.003  -0.712
  249    HD3  PRO  31           HD3      PRO  31  -3.340  -0.165  -1.906
  250    H    SER  32           H        SER  32  -7.155   0.817  -5.730
  251    HA   SER  32           HA       SER  32  -9.690   0.898  -4.148
  252    HB2  SER  32           HB2      SER  32 -10.500   2.692  -5.600
  253    HB3  SER  32           HB3      SER  32  -9.040   3.174  -4.721
  254    HG   SER  32           HG       SER  32  -8.948   3.751  -6.936
  255    H    GLY  33           H        GLY  33  -8.078  -0.725  -6.624
  256    HA2  GLY  33           HA2      GLY  33 -10.067  -2.573  -7.178
  257    HA3  GLY  33           HA3      GLY  33 -10.278  -1.337  -8.420
  258    H1   GAL 101           H1       GAL  34  11.869   1.613   0.595
  259    H2   GAL 101           H2       GAL  34  13.497   4.022  -0.378
  260    H3   GAL 101           H3       GAL  34  10.578   3.247  -0.875
  261    H4   GAL 101           H4       GAL  34  11.219   2.848  -3.204
  262    H5   GAL 101           H5       GAL  34  11.396   0.933  -1.713
  263    H61  GAL 101           H61      GAL  34  12.942  -0.530  -2.876
  264    H62  GAL 101           H62      GAL  34  12.163   0.553  -4.049
  265    HO2  GAL 101           H2O      GAL  34  12.806   4.463   1.662
  266    HO3  GAL 101           H3O      GAL  34  11.147   5.536  -0.805
  267    HO4  GAL 101           H4O      GAL  34  12.975   4.426  -3.084
  268    HO6  GAL 101           H6O      GAL  34  14.110   1.949  -3.519
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -11.889  -5.082   4.865
    2    H2   LYS   1           H2       LYS   1 -11.586  -5.450   3.301
    3    H3   LYS   1           H3       LYS   1 -12.080  -3.942   3.711
    4    HA   LYS   1           HA       LYS   1 -10.086  -3.521   4.945
    5    HB2  LYS   1           HB2      LYS   1  -9.678  -5.838   5.658
    6    HB3  LYS   1           HB3      LYS   1  -9.226  -6.290   4.015
    7    HG2  LYS   1           HG2      LYS   1  -7.321  -4.637   4.147
    8    HG3  LYS   1           HG3      LYS   1  -7.770  -4.310   5.828
    9    HD2  LYS   1           HD2      LYS   1  -7.339  -6.697   6.384
   10    HD3  LYS   1           HD3      LYS   1  -6.939  -7.018   4.680
   11    HE2  LYS   1           HE2      LYS   1  -5.111  -5.303   4.827
   12    HE3  LYS   1           HE3      LYS   1  -5.466  -5.108   6.551
   13    HZ1  LYS   1           HZ1      LYS   1  -3.647  -6.669   6.176
   14    HZ2  LYS   1           HZ2      LYS   1  -4.911  -7.481   6.835
   15    HZ3  LYS   1           HZ3      LYS   1  -4.562  -7.616   5.231
   16    H    LEU   2           H        LEU   2  -9.147  -5.442   2.079
   17    HA   LEU   2           HA       LEU   2  -8.624  -2.955   0.536
   18    HB2  LEU   2           HB2      LEU   2  -6.931  -5.436   1.010
   19    HB3  LEU   2           HB3      LEU   2  -6.621  -4.344  -0.343
   20    HG   LEU   2           HG       LEU   2  -6.663  -3.317   2.513
   21   HD11  LEU   2          HD11      LEU   2  -4.960  -5.100   2.341
   22   HD12  LEU   2          HD12      LEU   2  -4.278  -4.301   0.905
   23   HD13  LEU   2          HD13      LEU   2  -4.216  -3.499   2.493
   24   HD21  LEU   2          HD21      LEU   2  -6.844  -1.690   0.615
   25   HD22  LEU   2          HD22      LEU   2  -5.386  -1.489   1.595
   26   HD23  LEU   2          HD23      LEU   2  -5.290  -2.296   0.012
   27    HA   PRO   3           HA       PRO   3 -10.813  -4.857  -2.778
   28    HB2  PRO   3           HB2      PRO   3  -8.841  -4.041  -4.836
   29    HB3  PRO   3           HB3      PRO   3 -10.527  -3.502  -4.605
   30    HG2  PRO   3           HG2      PRO   3  -8.365  -1.902  -4.054
   31    HG3  PRO   3           HG3      PRO   3  -9.898  -1.816  -3.118
   32    HD2  PRO   3           HD2      PRO   3  -7.337  -3.257  -2.419
   33    HD3  PRO   3           HD3      PRO   3  -8.365  -2.224  -1.387
   34    HA   PRO   4           HA       PRO   4  -9.615  -8.865  -3.869
   35    HB2  PRO   4           HB2      PRO   4  -9.820  -8.270  -6.831
   36    HB3  PRO   4           HB3      PRO   4 -10.455  -9.676  -5.914
   37    HG2  PRO   4           HG2      PRO   4 -12.112  -7.638  -6.536
   38    HG3  PRO   4           HG3      PRO   4 -12.143  -8.316  -4.873
   39    HD2  PRO   4           HD2      PRO   4 -10.761  -5.809  -5.860
   40    HD3  PRO   4           HD3      PRO   4 -11.742  -6.056  -4.381
   41    H    GLY   5           H        GLY   5  -7.714  -9.732  -3.570
   42    HA2  GLY   5           HA2      GLY   5  -5.603 -10.562  -4.024
   43    HA3  GLY   5           HA3      GLY   5  -5.513  -9.556  -5.482
   44    H    TRP   6           H        TRP   6  -6.211  -7.194  -3.389
   45    HA   TRP   6           HA       TRP   6  -3.418  -6.413  -3.107
   46    HB2  TRP   6           HB2      TRP   6  -5.998  -5.073  -2.336
   47    HB3  TRP   6           HB3      TRP   6  -4.405  -4.373  -2.030
   48    HD1  TRP   6           HD1      TRP   6  -6.896  -5.025  -4.788
   49    HE1  TRP   6           HE1      TRP   6  -6.201  -3.822  -6.947
   50    HE3  TRP   6           HE3      TRP   6  -2.174  -3.640  -3.421
   51    HZ2  TRP   6           HZ2      TRP   6  -3.798  -2.682  -8.033
   52    HZ3  TRP   6           HZ3      TRP   6  -0.670  -2.534  -5.066
   53    HH2  TRP   6           HH2      TRP   6  -1.464  -2.050  -7.369
   54    H    GLU   7           H        GLU   7  -2.133  -6.331  -1.402
   55    HA   GLU   7           HA       GLU   7  -3.178  -6.364   1.340
   56    HB2  GLU   7           HB2      GLU   7  -1.639  -8.617   0.138
   57    HB3  GLU   7           HB3      GLU   7  -0.977  -8.022   1.646
   58    HG2  GLU   7           HG2      GLU   7  -3.826  -8.994   1.236
   59    HG3  GLU   7           HG3      GLU   7  -2.520  -9.869   2.025
   60    H    LYS   8           H        LYS   8  -1.516  -5.826   2.947
   61    HA   LYS   8           HA       LYS   8   0.264  -3.680   2.004
   62    HB2  LYS   8           HB2      LYS   8  -0.404  -4.764   4.745
   63    HB3  LYS   8           HB3      LYS   8   0.987  -3.693   4.490
   64    HG2  LYS   8           HG2      LYS   8  -0.439  -1.986   3.450
   65    HG3  LYS   8           HG3      LYS   8  -1.851  -3.048   3.614
   66    HD2  LYS   8           HD2      LYS   8  -1.969  -1.433   5.372
   67    HD3  LYS   8           HD3      LYS   8  -1.515  -2.969   6.128
   68    HE2  LYS   8           HE2      LYS   8   0.888  -2.221   6.121
   69    HE3  LYS   8           HE3      LYS   8   0.393  -0.704   5.362
   70    HZ1  LYS   8           HZ1      LYS   8  -0.942  -0.225   7.341
   71    HZ2  LYS   8           HZ2      LYS   8  -0.492  -1.631   8.043
   72    HZ3  LYS   8           HZ3      LYS   8   0.615  -0.465   7.767
   73    H    ARG   9           H        ARG   9   2.378  -3.542   2.060
   74    HA   ARG   9           HA       ARG   9   4.123  -5.931   2.402
   75    HB2  ARG   9           HB2      ARG   9   3.055  -5.343  -0.087
   76    HB3  ARG   9           HB3      ARG   9   4.436  -4.275  -0.085
   77    HG2  ARG   9           HG2      ARG   9   5.317  -6.156  -1.075
   78    HG3  ARG   9           HG3      ARG   9   5.783  -6.464   0.608
   79    HD2  ARG   9           HD2      ARG   9   3.488  -7.673  -0.990
   80    HD3  ARG   9           HD3      ARG   9   4.935  -8.497  -0.390
   81    HE   ARG   9           HE       ARG   9   2.754  -7.377   1.364
   82   HH11  ARG   9          HH11      ARG   9   2.157  -8.411   3.094
   83   HH12  ARG   9          HH12      ARG   9   2.801  -9.997   3.488
   84   HH21  ARG   9          HH21      ARG   9   4.931 -10.081   0.779
   85   HH22  ARG   9          HH22      ARG   9   4.356 -10.915   2.200
   86    H    MET  10           H        MET  10   6.491  -5.256   2.170
   87    HA   MET  10           HA       MET  10   7.034  -2.432   2.777
   88    HB2  MET  10           HB2      MET  10   6.246  -3.476   4.946
   89    HB3  MET  10           HB3      MET  10   7.629  -4.571   4.857
   90    HG2  MET  10           HG2      MET  10   9.137  -2.531   4.852
   91    HG3  MET  10           HG3      MET  10   7.694  -1.535   5.028
   92    HE1  MET  10           HE1      MET  10   8.940  -4.940   6.771
   93    HE2  MET  10           HE2      MET  10  10.316  -3.817   6.675
   94    HE3  MET  10           HE3      MET  10   9.611  -4.231   8.253
   95    H    PHE  11           H        PHE  11   8.999  -1.803   2.298
   96    HA   PHE  11           HA       PHE  11  10.894  -3.559   0.968
   97    HB2  PHE  11           HB2      PHE  11  10.816  -0.615   1.601
   98    HB3  PHE  11           HB3      PHE  11  12.182  -1.374   0.770
   99    HD1  PHE  11           HD1      PHE  11  11.597  -2.762  -1.410
  100    HD2  PHE  11           HD2      PHE  11   9.074   0.271   0.336
  101    HE1  PHE  11           HE1      PHE  11  10.472  -2.426  -3.602
  102    HE2  PHE  11           HE2      PHE  11   7.961   0.606  -1.844
  103    HZ   PHE  11           HZ       PHE  11   8.658  -0.736  -3.826
  104    H    ALA  12           H        ALA  12  13.226  -3.587   1.410
  105    HA   ALA  12           HA       ALA  12  13.843  -4.463   4.044
  106    HB1  ALA  12           HB1      ALA  12  15.682  -3.580   1.773
  107    HB2  ALA  12           HB2      ALA  12  16.150  -4.569   3.174
  108    HB3  ALA  12           HB3      ALA  12  14.993  -5.209   1.991
  109    H    ASN  13           H        ASN  13  13.909  -1.232   2.727
  110    HA   ASN  13           HA       ASN  13  15.547  -0.055   4.857
  111    HB2  ASN  13           HB2      ASN  13  14.967   2.083   3.746
  112    HB3  ASN  13           HB3      ASN  13  15.634   0.885   2.626
  113   HD21  ASN  13          HD21      ASN  13  14.670   2.335   1.007
  114    H    GLY  14           H        GLY  14  12.388  -1.219   4.892
  115    HA2  GLY  14           HA2      GLY  14  10.910  -1.129   6.684
  116    HA3  GLY  14           HA3      GLY  14  11.715   0.312   7.326
  117    H    THR  15           H        THR  15  10.840   0.547   3.955
  118    HA   THR  15           HA       THR  15   8.657   2.468   4.596
  119    HB   THR  15           HB       THR  15  10.177   1.733   2.064
  120    HG1  THR  15           HG1      THR  15  10.996   3.753   2.311
  121   HG21  THR  15          HG21      THR  15   7.975   2.336   1.269
  122   HG22  THR  15          HG22      THR  15   7.915   3.741   2.364
  123   HG23  THR  15          HG23      THR  15   9.061   3.699   1.004
  124    H    VAL  16           H        VAL  16   6.553   2.014   4.313
  125    HA   VAL  16           HA       VAL  16   5.734  -0.721   3.489
  126    HB   VAL  16           HB       VAL  16   4.387   1.552   4.990
  127   HG11  VAL  16          HG11      VAL  16   2.462   0.067   5.392
  128   HG12  VAL  16          HG12      VAL  16   2.577   0.520   3.697
  129   HG13  VAL  16          HG13      VAL  16   3.102  -1.101   4.215
  130   HG21  VAL  16          HG21      VAL  16   5.987   0.145   6.268
  131   HG22  VAL  16          HG22      VAL  16   4.322  -0.092   6.826
  132   HG23  VAL  16          HG23      VAL  16   5.082  -1.310   5.787
  133    H    TYR  17           H        TYR  17   4.252  -1.143   1.922
  134    HA   TYR  17           HA       TYR  17   3.002   0.967   0.305
  135    HB2  TYR  17           HB2      TYR  17   3.909   0.212  -1.797
  136    HB3  TYR  17           HB3      TYR  17   5.214   0.693  -0.753
  137    HD1  TYR  17           HD1      TYR  17   6.634  -1.121   0.400
  138    HD2  TYR  17           HD2      TYR  17   3.871  -1.954  -2.810
  139    HE1  TYR  17           HE1      TYR  17   7.935  -3.151  -0.205
  140    HE2  TYR  17           HE2      TYR  17   5.153  -4.008  -3.378
  141    HH   TYR  17           HH       TYR  17   8.193  -4.849  -1.693
  142    H    TYR  18           H        TYR  18   1.768  -0.299  -1.573
  143    HA   TYR  18           HA       TYR  18   0.400  -2.666  -0.381
  144    HB2  TYR  18           HB2      TYR  18  -0.741  -0.463  -2.114
  145    HB3  TYR  18           HB3      TYR  18  -1.589  -1.945  -1.653
  146    HD1  TYR  18           HD1      TYR  18  -2.451  -2.285   0.622
  147    HD2  TYR  18           HD2      TYR  18  -0.217   1.262  -0.416
  148    HE1  TYR  18           HE1      TYR  18  -3.182  -1.190   2.740
  149    HE2  TYR  18           HE2      TYR  18  -0.895   2.320   1.732
  150    HH   TYR  18           HH       TYR  18  -2.069   2.067   3.676
  151    H    PHE  19           H        PHE  19   0.053  -4.462  -1.589
  152    HA   PHE  19           HA       PHE  19   1.075  -4.535  -4.392
  153    HB2  PHE  19           HB2      PHE  19   2.964  -5.041  -2.990
  154    HB3  PHE  19           HB3      PHE  19   2.028  -6.246  -2.094
  155    HD1  PHE  19           HD1      PHE  19   3.259  -5.364  -5.482
  156    HD2  PHE  19           HD2      PHE  19   1.924  -8.556  -2.902
  157    HE1  PHE  19           HE1      PHE  19   3.858  -6.994  -7.213
  158    HE2  PHE  19           HE2      PHE  19   2.605 -10.211  -4.618
  159    HZ   PHE  19           HZ       PHE  19   3.568  -9.451  -6.783
  160    H    ASN  20           H        ASN  20   0.037  -5.837  -5.771
  161    HA   ASN  20           HA       ASN  20  -2.248  -7.412  -4.719
  162    HB2  ASN  20           HB2      ASN  20  -2.544  -5.629  -6.484
  163    HB3  ASN  20           HB3      ASN  20  -1.656  -6.680  -7.599
  164   HD21  ASN  20          HD21      ASN  20  -4.697  -5.805  -6.814
  165   HD22  ASN  20          HD22      ASN  20  -5.553  -7.312  -7.080
  166    H    HIS  21           H        HIS  21  -1.902  -9.524  -4.359
  167    HA   HIS  21           HA       HIS  21   0.433 -10.880  -5.430
  168    HB2  HIS  21           HB2      HIS  21   0.006 -12.506  -3.911
  169    HB3  HIS  21           HB3      HIS  21  -0.812 -11.156  -3.130
  170    HD2  HIS  21           HD2      HIS  21  -3.449 -11.382  -2.766
  171    HE1  HIS  21           HE1      HIS  21  -3.948 -15.282  -4.410
  172    HE2  HIS  21           HE2      HIS  21  -5.073 -13.432  -3.071
  173    H    ILE  22           H        ILE  22  -2.835 -10.593  -6.579
  174    HA   ILE  22           HA       ILE  22  -2.825 -13.033  -8.206
  175    HB   ILE  22           HB       ILE  22  -4.750 -10.660  -8.134
  176   HG12  ILE  22          HG12      ILE  22  -4.799 -13.322  -6.625
  177   HG13  ILE  22          HG13      ILE  22  -4.623 -11.709  -5.926
  178   HG21  ILE  22          HG21      ILE  22  -6.348 -12.187  -9.222
  179   HG22  ILE  22          HG22      ILE  22  -4.922 -11.992 -10.216
  180   HG23  ILE  22          HG23      ILE  22  -5.118 -13.474  -9.251
  181   HD11  ILE  22          HD11      ILE  22  -7.123 -12.875  -7.185
  182   HD12  ILE  22          HD12      ILE  22  -6.848 -12.399  -5.504
  183   HD13  ILE  22          HD13      ILE  22  -6.938 -11.152  -6.767
  184    H    THR  23           H        THR  23  -2.467  -9.539  -8.690
  185    HA   THR  23           HA       THR  23  -1.999  -9.914 -11.597
  186    HB   THR  23           HB       THR  23  -2.812  -7.768 -11.976
  187    HG1  THR  23           HG1      THR  23  -3.465  -6.654  -9.871
  188   HG21  THR  23          HG21      THR  23  -4.539  -8.697  -9.642
  189   HG22  THR  23          HG22      THR  23  -5.011  -7.686 -11.020
  190   HG23  THR  23          HG23      THR  23  -4.616  -9.394 -11.276
  191    H    ASN  24           H        ASN  24  -0.121  -9.295  -8.904
  192    HA   ASN  24           HA       ASN  24   1.908  -8.532  -8.478
  193    HB2  ASN  24           HB2      ASN  24   2.481  -8.833 -11.444
  194    HB3  ASN  24           HB3      ASN  24   3.684  -8.628 -10.163
  195   HD21  ASN  24          HD21      ASN  24   2.530 -12.329 -10.972
  196   HD22  ASN  24          HD22      ASN  24   2.244 -10.955 -12.045
  197    H    ALA  25           H        ALA  25  -0.301  -6.563  -9.520
  198    HA   ALA  25           HA       ALA  25   1.177  -4.165 -10.183
  199    HB1  ALA  25           HB1      ALA  25  -1.221  -4.483 -10.696
  200    HB2  ALA  25           HB2      ALA  25  -1.589  -4.525  -8.957
  201    HB3  ALA  25           HB3      ALA  25  -0.952  -3.042  -9.699
  202    H    SER  26           H        SER  26   1.543  -2.314  -8.820
  203    HA   SER  26           HA       SER  26   1.522  -2.723  -5.891
  204    HB2  SER  26           HB2      SER  26   3.814  -1.955  -5.631
  205    HB3  SER  26           HB3      SER  26   3.729  -3.465  -6.543
  206    HG   SER  26           HG       SER  26   5.161  -1.992  -7.513
  207    H    GLN  27           H        GLN  27   1.509  -0.825  -4.649
  208    HA   GLN  27           HA       GLN  27   1.463   1.821  -5.985
  209    HB2  GLN  27           HB2      GLN  27  -0.881   0.638  -4.434
  210    HB3  GLN  27           HB3      GLN  27  -0.617   2.376  -4.638
  211    HG2  GLN  27           HG2      GLN  27  -0.705   2.145  -7.072
  212    HG3  GLN  27           HG3      GLN  27  -1.070   0.416  -6.899
  213   HE21  GLN  27          HE21      GLN  27  -2.625   2.417  -4.433
  214   HE22  GLN  27          HE22      GLN  27  -4.161   2.534  -5.295
  215    H    PHE  28           H        PHE  28   2.145   3.483  -4.752
  216    HA   PHE  28           HA       PHE  28   2.968   2.979  -1.983
  217    HB2  PHE  28           HB2      PHE  28   3.390   5.289  -3.851
  218    HB3  PHE  28           HB3      PHE  28   3.695   5.427  -2.117
  219    HD1  PHE  28           HD1      PHE  28   5.427   4.072  -0.977
  220    HD2  PHE  28           HD2      PHE  28   4.919   3.982  -5.261
  221    HE1  PHE  28           HE1      PHE  28   7.696   3.094  -1.228
  222    HE2  PHE  28           HE2      PHE  28   7.185   2.991  -5.506
  223    HZ   PHE  28           HZ       PHE  28   8.578   2.551  -3.493
  224    H    GLU  29           H        GLU  29   0.138   4.085  -3.430
  225    HA   GLU  29           HA       GLU  29  -0.883   5.243  -0.874
  226    HB2  GLU  29           HB2      GLU  29  -0.859   6.809  -2.784
  227    HB3  GLU  29           HB3      GLU  29  -1.823   5.680  -3.732
  228    HG2  GLU  29           HG2      GLU  29  -3.200   7.495  -2.879
  229    HG3  GLU  29           HG3      GLU  29  -3.728   5.964  -2.200
  230    H    ARG  30           H        ARG  30  -2.917   4.605  -0.127
  231    HA   ARG  30           HA       ARG  30  -3.373   1.799  -0.230
  232    HB2  ARG  30           HB2      ARG  30  -3.687   3.093   1.743
  233    HB3  ARG  30           HB3      ARG  30  -4.926   4.092   1.008
  234    HG2  ARG  30           HG2      ARG  30  -5.388   1.112   1.106
  235    HG3  ARG  30           HG3      ARG  30  -5.470   2.010   2.629
  236    HD2  ARG  30           HD2      ARG  30  -7.425   3.042   2.127
  237    HD3  ARG  30           HD3      ARG  30  -6.975   3.326   0.452
  238    HE   ARG  30           HE       ARG  30  -7.933   1.357  -0.229
  239   HH11  ARG  30          HH11      ARG  30  -9.631  -1.066   1.417
  240   HH12  ARG  30          HH12      ARG  30  -9.208  -0.332  -0.137
  241   HH21  ARG  30          HH21      ARG  30  -8.905  -0.257   3.259
  242   HH22  ARG  30          HH22      ARG  30  -7.895   1.176   3.295
  243    HA   PRO  31           HA       PRO  31  -5.925   1.844  -3.908
  244    HB2  PRO  31           HB2      PRO  31  -6.210  -0.825  -4.343
  245    HB3  PRO  31           HB3      PRO  31  -4.626  -0.004  -4.491
  246    HG2  PRO  31           HG2      PRO  31  -5.712  -1.531  -2.111
  247    HG3  PRO  31           HG3      PRO  31  -4.105  -1.698  -2.889
  248    HD2  PRO  31           HD2      PRO  31  -4.477  -0.166  -0.665
  249    HD3  PRO  31           HD3      PRO  31  -3.320   0.294  -1.950
  250    H    SER  32           H        SER  32  -8.067   1.829  -4.466
  251    HA   SER  32           HA       SER  32 -10.073   0.638  -2.592
  252    HB2  SER  32           HB2      SER  32  -9.956   3.525  -3.515
  253    HB3  SER  32           HB3      SER  32 -11.338   2.786  -2.682
  254    HG   SER  32           HG       SER  32  -9.912   3.854  -1.246
  255    H    GLY  33           H        GLY  33  -9.150   0.253  -5.579
  256    HA2  GLY  33           HA2      GLY  33 -11.565  -0.834  -6.580
  257    HA3  GLY  33           HA3      GLY  33 -11.393   0.775  -7.281
  258    H1   GAL 101           H1       GAL  34  11.814   1.607   0.500
  259    H2   GAL 101           H2       GAL  34  13.415   4.025  -0.499
  260    H3   GAL 101           H3       GAL  34  10.566   3.164  -1.206
  261    H4   GAL 101           H4       GAL  34  11.403   2.692  -3.465
  262    H5   GAL 101           H5       GAL  34  11.433   0.850  -1.853
  263    H61  GAL 101           H61      GAL  34  13.034  -0.682  -2.842
  264    H62  GAL 101           H62      GAL  34  12.347   0.348  -4.114
  265    HO2  GAL 101           H2O      GAL  34  11.645   5.152   0.471
  266    HO3  GAL 101           H3O      GAL  34  10.630   4.971  -2.566
  267    HO4  GAL 101           H4O      GAL  34  13.178   4.268  -3.238
  268    HO6  GAL 101           H6O      GAL  34  14.277   1.752  -3.507
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -10.986  -4.393   5.801
    2    H2   LYS   1           H2       LYS   1 -11.243  -4.628   4.202
    3    H3   LYS   1           H3       LYS   1 -11.035  -3.111   4.788
    4    HA   LYS   1           HA       LYS   1  -8.786  -3.562   5.419
    5    HB2  LYS   1           HB2      LYS   1  -9.019  -5.904   5.949
    6    HB3  LYS   1           HB3      LYS   1  -9.322  -6.318   4.264
    7    HG2  LYS   1           HG2      LYS   1  -7.006  -5.681   3.671
    8    HG3  LYS   1           HG3      LYS   1  -6.699  -5.179   5.342
    9    HD2  LYS   1           HD2      LYS   1  -6.869  -7.457   6.127
   10    HD3  LYS   1           HD3      LYS   1  -7.615  -7.991   4.617
   11    HE2  LYS   1           HE2      LYS   1  -5.349  -8.777   4.630
   12    HE3  LYS   1           HE3      LYS   1  -5.530  -7.550   3.378
   13    HZ1  LYS   1           HZ1      LYS   1  -3.508  -7.204   4.585
   14    HZ2  LYS   1           HZ2      LYS   1  -4.499  -5.951   4.939
   15    HZ3  LYS   1           HZ3      LYS   1  -4.273  -7.149   6.036
   16    H    LEU   2           H        LEU   2  -9.022  -5.341   2.362
   17    HA   LEU   2           HA       LEU   2  -8.253  -2.931   0.816
   18    HB2  LEU   2           HB2      LEU   2  -6.721  -5.542   1.137
   19    HB3  LEU   2           HB3      LEU   2  -6.406  -4.394  -0.166
   20    HG   LEU   2           HG       LEU   2  -6.132  -3.633   2.761
   21   HD11  LEU   2          HD11      LEU   2  -3.723  -3.887   2.434
   22   HD12  LEU   2          HD12      LEU   2  -4.551  -5.436   2.184
   23   HD13  LEU   2          HD13      LEU   2  -3.989  -4.494   0.785
   24   HD21  LEU   2          HD21      LEU   2  -5.049  -2.369   0.212
   25   HD22  LEU   2          HD22      LEU   2  -6.445  -1.759   1.135
   26   HD23  LEU   2          HD23      LEU   2  -4.842  -1.765   1.870
   27    HA   PRO   3           HA       PRO   3 -10.716  -4.754  -2.375
   28    HB2  PRO   3           HB2      PRO   3  -8.814  -4.001  -4.522
   29    HB3  PRO   3           HB3      PRO   3 -10.471  -3.409  -4.218
   30    HG2  PRO   3           HG2      PRO   3  -8.242  -1.869  -3.761
   31    HG3  PRO   3           HG3      PRO   3  -9.724  -1.746  -2.753
   32    HD2  PRO   3           HD2      PRO   3  -7.182  -3.287  -2.196
   33    HD3  PRO   3           HD3      PRO   3  -8.098  -2.196  -1.117
   34    HA   PRO   4           HA       PRO   4  -9.633  -8.799  -3.490
   35    HB2  PRO   4           HB2      PRO   4 -10.020  -8.225  -6.437
   36    HB3  PRO   4           HB3      PRO   4 -10.622  -9.610  -5.465
   37    HG2  PRO   4           HG2      PRO   4 -12.275  -7.548  -6.012
   38    HG3  PRO   4           HG3      PRO   4 -12.220  -8.210  -4.343
   39    HD2  PRO   4           HD2      PRO   4 -10.850  -5.738  -5.435
   40    HD3  PRO   4           HD3      PRO   4 -11.752  -5.951  -3.901
   41    H    GLY   5           H        GLY   5  -7.733  -9.718  -3.340
   42    HA2  GLY   5           HA2      GLY   5  -5.685 -10.590  -3.983
   43    HA3  GLY   5           HA3      GLY   5  -5.672  -9.530  -5.407
   44    H    TRP   6           H        TRP   6  -6.158  -7.238  -3.190
   45    HA   TRP   6           HA       TRP   6  -3.340  -6.523  -3.094
   46    HB2  TRP   6           HB2      TRP   6  -5.830  -5.180  -2.092
   47    HB3  TRP   6           HB3      TRP   6  -4.210  -4.513  -1.859
   48    HD1  TRP   6           HD1      TRP   6  -6.885  -5.024  -4.471
   49    HE1  TRP   6           HE1      TRP   6  -6.374  -3.603  -6.554
   50    HE3  TRP   6           HE3      TRP   6  -2.072  -3.731  -3.367
   51    HZ2  TRP   6           HZ2      TRP   6  -4.014  -2.522  -7.793
   52    HZ3  TRP   6           HZ3      TRP   6  -0.675  -2.545  -5.063
   53    HH2  TRP   6           HH2      TRP   6  -1.627  -1.942  -7.271
   54    H    GLU   7           H        GLU   7  -1.934  -6.407  -1.454
   55    HA   GLU   7           HA       GLU   7  -2.770  -6.745   1.344
   56    HB2  GLU   7           HB2      GLU   7  -2.428  -9.031   0.695
   57    HB3  GLU   7           HB3      GLU   7  -0.942  -8.639  -0.146
   58    HG2  GLU   7           HG2      GLU   7  -0.511  -9.887   1.871
   59    HG3  GLU   7           HG3      GLU   7   0.261  -8.318   1.902
   60    H    LYS   8           H        LYS   8  -1.267  -5.980   2.870
   61    HA   LYS   8           HA       LYS   8   0.520  -3.849   1.939
   62    HB2  LYS   8           HB2      LYS   8  -0.294  -4.880   4.663
   63    HB3  LYS   8           HB3      LYS   8   1.118  -3.826   4.486
   64    HG2  LYS   8           HG2      LYS   8  -0.212  -2.103   3.377
   65    HG3  LYS   8           HG3      LYS   8  -1.646  -3.150   3.436
   66    HD2  LYS   8           HD2      LYS   8  -1.827  -1.518   5.200
   67    HD3  LYS   8           HD3      LYS   8  -1.528  -3.095   5.947
   68    HE2  LYS   8           HE2      LYS   8   0.894  -2.501   6.179
   69    HE3  LYS   8           HE3      LYS   8   0.574  -0.937   5.419
   70    HZ1  LYS   8           HZ1      LYS   8  -0.902  -0.408   7.284
   71    HZ2  LYS   8           HZ2      LYS   8  -0.615  -1.858   7.981
   72    HZ3  LYS   8           HZ3      LYS   8   0.590  -0.768   7.842
   73    H    ARG   9           H        ARG   9   2.588  -3.705   1.901
   74    HA   ARG   9           HA       ARG   9   4.395  -5.986   2.628
   75    HB2  ARG   9           HB2      ARG   9   4.648  -4.275   0.144
   76    HB3  ARG   9           HB3      ARG   9   5.627  -5.676   0.564
   77    HG2  ARG   9           HG2      ARG   9   2.766  -5.597  -0.436
   78    HG3  ARG   9           HG3      ARG   9   4.208  -6.208  -1.257
   79    HD2  ARG   9           HD2      ARG   9   2.631  -7.503   0.966
   80    HD3  ARG   9           HD3      ARG   9   2.958  -8.096  -0.654
   81    HE   ARG   9           HE       ARG   9   5.272  -8.519  -0.038
   82   HH11  ARG   9          HH11      ARG   9   3.158  -8.015   2.754
   83   HH12  ARG   9          HH12      ARG   9   4.153  -9.044   3.755
   84   HH21  ARG   9          HH21      ARG   9   6.501  -9.705   1.347
   85   HH22  ARG   9          HH22      ARG   9   5.993  -9.930   2.998
   86    H    MET  10           H        MET  10   6.737  -5.215   2.561
   87    HA   MET  10           HA       MET  10   7.159  -2.376   3.097
   88    HB2  MET  10           HB2      MET  10   6.321  -3.268   5.280
   89    HB3  MET  10           HB3      MET  10   7.669  -4.410   5.298
   90    HG2  MET  10           HG2      MET  10   9.225  -2.391   5.192
   91    HG3  MET  10           HG3      MET  10   7.810  -1.374   5.442
   92    HE1  MET  10           HE1      MET  10   6.058  -2.858   7.592
   93    HE2  MET  10           HE2      MET  10   6.762  -2.295   9.120
   94    HE3  MET  10           HE3      MET  10   6.535  -1.152   7.783
   95    H    PHE  11           H        PHE  11   9.102  -1.741   2.526
   96    HA   PHE  11           HA       PHE  11  11.110  -3.530   1.443
   97    HB2  PHE  11           HB2      PHE  11  10.985  -0.541   1.854
   98    HB3  PHE  11           HB3      PHE  11  12.365  -1.359   1.120
   99    HD1  PHE  11           HD1      PHE  11  11.957  -2.818  -0.987
  100    HD2  PHE  11           HD2      PHE  11   9.156   0.117   0.476
  101    HE1  PHE  11           HE1      PHE  11  10.932  -2.659  -3.243
  102    HE2  PHE  11           HE2      PHE  11   8.158   0.296  -1.772
  103    HZ   PHE  11           HZ       PHE  11   9.039  -1.092  -3.647
  104    H    ALA  12           H        ALA  12  13.414  -3.489   1.994
  105    HA   ALA  12           HA       ALA  12  13.913  -4.178   4.696
  106    HB1  ALA  12           HB1      ALA  12  15.185  -5.007   2.751
  107    HB2  ALA  12           HB2      ALA  12  15.856  -3.379   2.481
  108    HB3  ALA  12           HB3      ALA  12  16.265  -4.282   3.957
  109    H    ASN  13           H        ASN  13  13.988  -1.010   3.224
  110    HA   ASN  13           HA       ASN  13  15.505   0.270   5.393
  111    HB2  ASN  13           HB2      ASN  13  15.092   2.339   4.127
  112    HB3  ASN  13           HB3      ASN  13  15.763   1.058   3.104
  113   HD21  ASN  13          HD21      ASN  13  14.939   2.496   1.376
  114    H    GLY  14           H        GLY  14  12.368  -0.892   5.316
  115    HA2  GLY  14           HA2      GLY  14  10.767  -0.651   6.991
  116    HA3  GLY  14           HA3      GLY  14  11.515   0.860   7.537
  117    H    THR  15           H        THR  15  10.780   0.595   4.112
  118    HA   THR  15           HA       THR  15   8.643   2.646   4.361
  119    HB   THR  15           HB       THR  15  10.065   1.471   1.946
  120    HG1  THR  15           HG1      THR  15  11.424   2.612   3.154
  121   HG21  THR  15          HG21      THR  15   8.164   3.822   2.153
  122   HG22  THR  15          HG22      THR  15   9.214   3.482   0.755
  123   HG23  THR  15          HG23      THR  15   7.952   2.327   1.200
  124    H    VAL  16           H        VAL  16   6.510   2.187   4.094
  125    HA   VAL  16           HA       VAL  16   5.686  -0.609   3.494
  126    HB   VAL  16           HB       VAL  16   4.247   1.795   4.673
  127   HG11  VAL  16          HG11      VAL  16   2.350   0.290   5.164
  128   HG12  VAL  16          HG12      VAL  16   2.540   0.543   3.433
  129   HG13  VAL  16          HG13      VAL  16   3.094  -0.982   4.168
  130   HG21  VAL  16          HG21      VAL  16   5.826   0.626   6.186
  131   HG22  VAL  16          HG22      VAL  16   4.149   0.380   6.695
  132   HG23  VAL  16          HG23      VAL  16   5.008  -0.917   5.839
  133    H    TYR  17           H        TYR  17   4.315  -1.176   1.869
  134    HA   TYR  17           HA       TYR  17   3.078   0.797   0.084
  135    HB2  TYR  17           HB2      TYR  17   4.100   0.017  -1.942
  136    HB3  TYR  17           HB3      TYR  17   5.374   0.519  -0.864
  137    HD1  TYR  17           HD1      TYR  17   6.725  -1.268   0.394
  138    HD2  TYR  17           HD2      TYR  17   4.101  -2.168  -2.925
  139    HE1  TYR  17           HE1      TYR  17   7.963  -3.392  -0.024
  140    HE2  TYR  17           HE2      TYR  17   5.313  -4.297  -3.306
  141    HH   TYR  17           HH       TYR  17   7.084  -5.602  -2.692
  142    H    TYR  18           H        TYR  18   1.964  -0.610  -1.758
  143    HA   TYR  18           HA       TYR  18   0.614  -2.964  -0.501
  144    HB2  TYR  18           HB2      TYR  18  -0.563  -0.823  -2.311
  145    HB3  TYR  18           HB3      TYR  18  -1.415  -2.225  -1.650
  146    HD1  TYR  18           HD1      TYR  18  -0.000   1.106  -0.875
  147    HD2  TYR  18           HD2      TYR  18  -2.129  -2.306   0.692
  148    HE1  TYR  18           HE1      TYR  18  -0.568   2.402   1.172
  149    HE2  TYR  18           HE2      TYR  18  -2.738  -0.989   2.714
  150    HH   TYR  18           HH       TYR  18  -2.549   1.002   3.804
  151    H    PHE  19           H        PHE  19   0.283  -4.747  -1.752
  152    HA   PHE  19           HA       PHE  19   1.105  -4.717  -4.627
  153    HB2  PHE  19           HB2      PHE  19   3.049  -5.396  -3.371
  154    HB3  PHE  19           HB3      PHE  19   2.091  -6.605  -2.494
  155    HD1  PHE  19           HD1      PHE  19   3.154  -5.601  -5.904
  156    HD2  PHE  19           HD2      PHE  19   1.878  -8.852  -3.376
  157    HE1  PHE  19           HE1      PHE  19   3.580  -7.169  -7.738
  158    HE2  PHE  19           HE2      PHE  19   2.383 -10.454  -5.201
  159    HZ   PHE  19           HZ       PHE  19   3.226  -9.633  -7.395
  160    H    ASN  20           H        ASN  20  -0.081  -5.928  -5.985
  161    HA   ASN  20           HA       ASN  20  -2.345  -7.474  -4.836
  162    HB2  ASN  20           HB2      ASN  20  -2.723  -5.590  -6.475
  163    HB3  ASN  20           HB3      ASN  20  -1.949  -6.596  -7.710
  164   HD21  ASN  20          HD21      ASN  20  -4.902  -5.690  -6.663
  165   HD22  ASN  20          HD22      ASN  20  -5.813  -7.160  -6.943
  166    H    HIS  21           H        HIS  21  -2.026  -9.611  -4.610
  167    HA   HIS  21           HA       HIS  21   0.178 -10.966  -5.927
  168    HB2  HIS  21           HB2      HIS  21  -0.206 -12.684  -4.487
  169    HB3  HIS  21           HB3      HIS  21  -0.880 -11.346  -3.561
  170    HD2  HIS  21           HD2      HIS  21  -3.472 -11.495  -2.945
  171    HE1  HIS  21           HE1      HIS  21  -4.312 -15.249  -4.780
  172    HE2  HIS  21           HE2      HIS  21  -5.212 -13.453  -3.216
  173    H    ILE  22           H        ILE  22  -3.140 -10.519  -6.826
  174    HA   ILE  22           HA       ILE  22  -3.336 -12.878  -8.559
  175    HB   ILE  22           HB       ILE  22  -5.182 -10.466  -8.225
  176   HG12  ILE  22          HG12      ILE  22  -5.159 -13.177  -6.803
  177   HG13  ILE  22          HG13      ILE  22  -4.894 -11.593  -6.072
  178   HG21  ILE  22          HG21      ILE  22  -5.562 -11.722 -10.329
  179   HG22  ILE  22          HG22      ILE  22  -5.716 -13.231  -9.398
  180   HG23  ILE  22          HG23      ILE  22  -6.904 -11.917  -9.222
  181   HD11  ILE  22          HD11      ILE  22  -7.260 -10.968  -6.686
  182   HD12  ILE  22          HD12      ILE  22  -7.515 -12.672  -7.146
  183   HD13  ILE  22          HD13      ILE  22  -7.084 -12.260  -5.480
  184    H    THR  23           H        THR  23  -2.924  -9.373  -8.902
  185    HA   THR  23           HA       THR  23  -2.673  -9.609 -11.851
  186    HB   THR  23           HB       THR  23  -3.393  -7.401 -12.053
  187    HG1  THR  23           HG1      THR  23  -3.857  -6.413  -9.822
  188   HG21  THR  23          HG21      THR  23  -5.517  -7.275 -10.940
  189   HG22  THR  23          HG22      THR  23  -5.227  -8.979 -11.335
  190   HG23  THR  23          HG23      THR  23  -5.006  -8.401  -9.667
  191    H    ASN  24           H        ASN  24  -0.590  -9.234  -9.267
  192    HA   ASN  24           HA       ASN  24   1.500  -8.600  -8.942
  193    HB2  ASN  24           HB2      ASN  24   1.857  -8.756 -11.951
  194    HB3  ASN  24           HB3      ASN  24   3.153  -8.680 -10.751
  195   HD21  ASN  24          HD21      ASN  24   1.430 -10.828 -12.628
  196   HD22  ASN  24          HD22      ASN  24   1.735 -12.271 -11.657
  197    H    ALA  25           H        ALA  25  -0.664  -6.467  -9.689
  198    HA   ALA  25           HA       ALA  25   0.885  -4.119 -10.361
  199    HB1  ALA  25           HB1      ALA  25  -1.132  -2.910  -9.654
  200    HB2  ALA  25           HB2      ALA  25  -1.559  -4.284 -10.690
  201    HB3  ALA  25           HB3      ALA  25  -1.792  -4.391  -8.929
  202    H    SER  26           H        SER  26   1.538  -2.398  -8.992
  203    HA   SER  26           HA       SER  26   1.613  -2.843  -6.067
  204    HB2  SER  26           HB2      SER  26   3.976  -2.084  -5.955
  205    HB3  SER  26           HB3      SER  26   3.761  -3.676  -6.666
  206    HG   SER  26           HG       SER  26   4.130  -1.243  -8.111
  207    H    GLN  27           H        GLN  27   1.632  -0.975  -4.818
  208    HA   GLN  27           HA       GLN  27   1.848   1.677  -6.078
  209    HB2  GLN  27           HB2      GLN  27  -0.743   0.389  -5.487
  210    HB3  GLN  27           HB3      GLN  27  -0.552   1.883  -4.599
  211    HG2  GLN  27           HG2      GLN  27  -0.212   1.641  -7.608
  212    HG3  GLN  27           HG3      GLN  27  -1.677   2.163  -6.785
  213   HE21  GLN  27          HE21      GLN  27  -0.813   3.943  -8.574
  214   HE22  GLN  27          HE22      GLN  27  -0.001   5.292  -7.769
  215    H    PHE  28           H        PHE  28   2.173   3.359  -4.683
  216    HA   PHE  28           HA       PHE  28   2.892   2.699  -1.888
  217    HB2  PHE  28           HB2      PHE  28   3.399   5.127  -3.605
  218    HB3  PHE  28           HB3      PHE  28   3.668   5.103  -1.858
  219    HD1  PHE  28           HD1      PHE  28   5.357   3.576  -0.823
  220    HD2  PHE  28           HD2      PHE  28   4.970   4.013  -5.099
  221    HE1  PHE  28           HE1      PHE  28   7.620   2.605  -1.134
  222    HE2  PHE  28           HE2      PHE  28   7.231   3.028  -5.402
  223    HZ   PHE  28           HZ       PHE  28   8.562   2.328  -3.420
  224    H    GLU  29           H        GLU  29   0.392   4.325  -3.672
  225    HA   GLU  29           HA       GLU  29  -0.925   5.445  -1.279
  226    HB2  GLU  29           HB2      GLU  29  -0.943   6.649  -3.411
  227    HB3  GLU  29           HB3      GLU  29  -1.761   5.291  -4.202
  228    HG2  GLU  29           HG2      GLU  29  -3.741   5.610  -2.805
  229    HG3  GLU  29           HG3      GLU  29  -2.913   6.846  -1.850
  230    H    ARG  30           H        ARG  30  -2.814   4.642  -0.345
  231    HA   ARG  30           HA       ARG  30  -3.199   1.831  -0.325
  232    HB2  ARG  30           HB2      ARG  30  -3.594   3.156   1.580
  233    HB3  ARG  30           HB3      ARG  30  -4.829   4.127   0.792
  234    HG2  ARG  30           HG2      ARG  30  -5.240   1.138   1.026
  235    HG3  ARG  30           HG3      ARG  30  -5.423   2.142   2.473
  236    HD2  ARG  30           HD2      ARG  30  -7.353   3.117   1.781
  237    HD3  ARG  30           HD3      ARG  30  -6.833   3.232   0.106
  238    HE   ARG  30           HE       ARG  30  -7.840   1.260  -0.409
  239   HH11  ARG  30          HH11      ARG  30  -7.451   1.108   3.087
  240   HH12  ARG  30          HH12      ARG  30  -8.350  -0.398   3.150
  241   HH21  ARG  30          HH21      ARG  30  -9.241  -0.375  -0.139
  242   HH22  ARG  30          HH22      ARG  30  -9.444  -1.102   1.447
  243    HA   PRO  31           HA       PRO  31  -5.360   1.530  -4.154
  244    HB2  PRO  31           HB2      PRO  31  -5.868  -1.150  -4.282
  245    HB3  PRO  31           HB3      PRO  31  -4.212  -0.467  -4.343
  246    HG2  PRO  31           HG2      PRO  31  -5.690  -1.526  -1.908
  247    HG3  PRO  31           HG3      PRO  31  -4.048  -1.980  -2.475
  248    HD2  PRO  31           HD2      PRO  31  -4.379  -0.126  -0.557
  249    HD3  PRO  31           HD3      PRO  31  -3.148   0.100  -1.834
  250    H    SER  32           H        SER  32  -7.348   1.108  -5.207
  251    HA   SER  32           HA       SER  32  -9.755   0.622  -3.530
  252    HB2  SER  32           HB2      SER  32  -9.221   3.050  -3.472
  253    HB3  SER  32           HB3      SER  32  -9.374   3.106  -5.235
  254    HG   SER  32           HG       SER  32 -11.527   2.326  -4.952
  255    H    GLY  33           H        GLY  33  -8.413  -0.909  -5.728
  256    HA2  GLY  33           HA2      GLY  33 -10.793  -1.663  -7.228
  257    HA3  GLY  33           HA3      GLY  33  -9.589  -0.850  -8.231
  258    H1   GAL 101           H1       GAL  34  12.104   1.793   0.748
  259    H2   GAL 101           H2       GAL  34  13.784   4.066  -0.440
  260    H3   GAL 101           H3       GAL  34  10.895   3.191  -0.950
  261    H4   GAL 101           H4       GAL  34  11.641   2.479  -3.162
  262    H5   GAL 101           H5       GAL  34  11.842   0.748  -1.472
  263    H61  GAL 101           H61      GAL  34  12.750  -0.051  -3.561
  264    H62  GAL 101           H62      GAL  34  14.291   0.794  -3.291
  265    HO2  GAL 101           H2O      GAL  34  11.673   4.052   1.496
  266    HO3  GAL 101           H3O      GAL  34  11.468   5.492  -1.169
  267    HO4  GAL 101           H4O      GAL  34  13.335   4.128  -3.196
  268    HO6  GAL 101           H6O      GAL  34  14.352  -0.486  -1.261
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1 -11.080  -4.398   5.706
    2    H2   LYS   1           H2       LYS   1 -11.379  -3.392   4.453
    3    H3   LYS   1           H3       LYS   1 -10.958  -4.951   4.171
    4    HA   LYS   1           HA       LYS   1  -9.252  -2.892   5.406
    5    HB2  LYS   1           HB2      LYS   1  -8.825  -5.164   6.313
    6    HB3  LYS   1           HB3      LYS   1  -8.530  -5.762   4.686
    7    HG2  LYS   1           HG2      LYS   1  -6.659  -3.935   4.578
    8    HG3  LYS   1           HG3      LYS   1  -6.874  -3.809   6.326
    9    HD2  LYS   1           HD2      LYS   1  -6.386  -6.280   6.495
   10    HD3  LYS   1           HD3      LYS   1  -6.109  -6.308   4.737
   11    HE2  LYS   1           HE2      LYS   1  -4.321  -4.549   5.054
   12    HE3  LYS   1           HE3      LYS   1  -4.562  -4.684   6.803
   13    HZ1  LYS   1           HZ1      LYS   1  -2.753  -6.094   6.211
   14    HZ2  LYS   1           HZ2      LYS   1  -3.991  -7.111   6.515
   15    HZ3  LYS   1           HZ3      LYS   1  -3.531  -6.788   4.968
   16    H    LEU   2           H        LEU   2  -8.449  -5.139   2.790
   17    HA   LEU   2           HA       LEU   2  -8.035  -2.881   0.904
   18    HB2  LEU   2           HB2      LEU   2  -6.360  -5.131   1.891
   19    HB3  LEU   2           HB3      LEU   2  -6.416  -5.011   0.133
   20    HG   LEU   2           HG       LEU   2  -5.610  -2.757   0.162
   21   HD11  LEU   2          HD11      LEU   2  -4.757  -1.604   2.117
   22   HD12  LEU   2          HD12      LEU   2  -6.492  -1.868   2.309
   23   HD13  LEU   2          HD13      LEU   2  -5.327  -2.897   3.181
   24   HD21  LEU   2          HD21      LEU   2  -4.011  -4.628   0.218
   25   HD22  LEU   2          HD22      LEU   2  -3.340  -3.214   1.025
   26   HD23  LEU   2          HD23      LEU   2  -3.974  -4.560   1.992
   27    HA   PRO   3           HA       PRO   3 -10.734  -4.946  -1.937
   28    HB2  PRO   3           HB2      PRO   3  -8.982  -4.326  -4.257
   29    HB3  PRO   3           HB3      PRO   3 -10.634  -3.746  -3.899
   30    HG2  PRO   3           HG2      PRO   3  -8.437  -2.127  -3.687
   31    HG3  PRO   3           HG3      PRO   3  -9.836  -1.983  -2.568
   32    HD2  PRO   3           HD2      PRO   3  -7.219  -3.443  -2.142
   33    HD3  PRO   3           HD3      PRO   3  -8.066  -2.301  -1.058
   34    HA   PRO   4           HA       PRO   4  -9.631  -9.055  -2.992
   35    HB2  PRO   4           HB2      PRO   4 -10.384  -8.582  -5.883
   36    HB3  PRO   4           HB3      PRO   4 -10.828  -9.949  -4.808
   37    HG2  PRO   4           HG2      PRO   4 -12.598  -7.953  -5.232
   38    HG3  PRO   4           HG3      PRO   4 -12.340  -8.561  -3.560
   39    HD2  PRO   4           HD2      PRO   4 -11.168  -6.090  -4.867
   40    HD3  PRO   4           HD3      PRO   4 -11.902  -6.273  -3.242
   41    H    GLY   5           H        GLY   5  -7.750 -10.046  -3.221
   42    HA2  GLY   5           HA2      GLY   5  -5.714 -10.742  -4.016
   43    HA3  GLY   5           HA3      GLY   5  -5.936  -9.749  -5.466
   44    H    TRP   6           H        TRP   6  -6.284  -7.436  -3.177
   45    HA   TRP   6           HA       TRP   6  -3.441  -6.668  -3.209
   46    HB2  TRP   6           HB2      TRP   6  -5.912  -5.276  -2.182
   47    HB3  TRP   6           HB3      TRP   6  -4.271  -4.648  -2.016
   48    HD1  TRP   6           HD1      TRP   6  -6.971  -5.176  -4.626
   49    HE1  TRP   6           HE1      TRP   6  -6.450  -3.758  -6.704
   50    HE3  TRP   6           HE3      TRP   6  -2.195  -3.787  -3.436
   51    HZ2  TRP   6           HZ2      TRP   6  -4.106  -2.521  -7.862
   52    HZ3  TRP   6           HZ3      TRP   6  -0.807  -2.540  -5.084
   53    HH2  TRP   6           HH2      TRP   6  -1.747  -1.904  -7.292
   54    H    GLU   7           H        GLU   7  -2.073  -6.460  -1.506
   55    HA   GLU   7           HA       GLU   7  -3.040  -6.663   1.240
   56    HB2  GLU   7           HB2      GLU   7  -2.663  -9.001   0.742
   57    HB3  GLU   7           HB3      GLU   7  -1.094  -8.654   0.049
   58    HG2  GLU   7           HG2      GLU   7  -0.952  -9.784   2.202
   59    HG3  GLU   7           HG3      GLU   7  -0.105  -8.255   2.167
   60    H    LYS   8           H        LYS   8  -1.578  -5.801   2.794
   61    HA   LYS   8           HA       LYS   8   0.215  -3.710   1.829
   62    HB2  LYS   8           HB2      LYS   8  -0.536  -4.730   4.571
   63    HB3  LYS   8           HB3      LYS   8   0.884  -3.693   4.364
   64    HG2  LYS   8           HG2      LYS   8  -0.469  -1.976   3.233
   65    HG3  LYS   8           HG3      LYS   8  -1.911  -2.997   3.397
   66    HD2  LYS   8           HD2      LYS   8  -1.980  -1.314   5.115
   67    HD3  LYS   8           HD3      LYS   8  -1.649  -2.865   5.901
   68    HE2  LYS   8           HE2      LYS   8   0.781  -2.280   6.001
   69    HE3  LYS   8           HE3      LYS   8   0.447  -0.758   5.172
   70    HZ1  LYS   8           HZ1      LYS   8  -0.641  -1.519   7.830
   71    HZ2  LYS   8           HZ2      LYS   8   0.571  -0.456   7.577
   72    HZ3  LYS   8           HZ3      LYS   8  -0.938  -0.104   7.065
   73    H    ARG   9           H        ARG   9   2.356  -3.495   1.941
   74    HA   ARG   9           HA       ARG   9   4.120  -5.860   2.399
   75    HB2  ARG   9           HB2      ARG   9   3.132  -5.285  -0.138
   76    HB3  ARG   9           HB3      ARG   9   4.542  -4.256  -0.095
   77    HG2  ARG   9           HG2      ARG   9   5.414  -6.176  -1.018
   78    HG3  ARG   9           HG3      ARG   9   5.794  -6.476   0.688
   79    HD2  ARG   9           HD2      ARG   9   3.506  -7.617  -0.977
   80    HD3  ARG   9           HD3      ARG   9   4.926  -8.485  -0.373
   81    HE   ARG   9           HE       ARG   9   2.779  -7.318   1.391
   82   HH11  ARG   9          HH11      ARG   9   2.134  -8.363   3.093
   83   HH12  ARG   9          HH12      ARG   9   2.696  -9.989   3.447
   84   HH21  ARG   9          HH21      ARG   9   4.816 -10.113   0.731
   85   HH22  ARG   9          HH22      ARG   9   4.199 -10.952   2.132
   86    H    MET  10           H        MET  10   6.479  -5.206   2.258
   87    HA   MET  10           HA       MET  10   7.029  -2.375   2.816
   88    HB2  MET  10           HB2      MET  10   6.142  -3.364   4.979
   89    HB3  MET  10           HB3      MET  10   7.529  -4.458   4.976
   90    HG2  MET  10           HG2      MET  10   9.030  -2.409   4.969
   91    HG3  MET  10           HG3      MET  10   7.576  -1.419   5.074
   92    HE1  MET  10           HE1      MET  10   9.405  -4.025   8.421
   93    HE2  MET  10           HE2      MET  10   8.791  -4.772   6.932
   94    HE3  MET  10           HE3      MET  10  10.158  -3.637   6.859
   95    H    PHE  11           H        PHE  11   9.032  -1.785   2.412
   96    HA   PHE  11           HA       PHE  11  10.963  -3.612   1.233
   97    HB2  PHE  11           HB2      PHE  11  10.908  -0.646   1.764
   98    HB3  PHE  11           HB3      PHE  11  12.296  -1.460   1.023
   99    HD1  PHE  11           HD1      PHE  11   9.233   0.219   0.394
  100    HD2  PHE  11           HD2      PHE  11  11.787  -2.904  -1.136
  101    HE1  PHE  11           HE1      PHE  11   8.224   0.497  -1.841
  102    HE2  PHE  11           HE2      PHE  11  10.766  -2.625  -3.386
  103    HZ   PHE  11           HZ       PHE  11   8.989  -0.919  -3.747
  104    H    ALA  12           H        ALA  12  13.264  -3.671   1.809
  105    HA   ALA  12           HA       ALA  12  13.704  -4.476   4.499
  106    HB1  ALA  12           HB1      ALA  12  14.953  -5.311   2.540
  107    HB2  ALA  12           HB2      ALA  12  15.696  -3.707   2.318
  108    HB3  ALA  12           HB3      ALA  12  16.054  -4.665   3.771
  109    H    ASN  13           H        ASN  13  13.922  -1.289   3.102
  110    HA   ASN  13           HA       ASN  13  15.473  -0.085   5.280
  111    HB2  ASN  13           HB2      ASN  13  14.991   2.032   4.080
  112    HB3  ASN  13           HB3      ASN  13  15.695   0.790   3.034
  113   HD21  ASN  13          HD21      ASN  13  14.848   2.215   1.330
  114    H    GLY  14           H        GLY  14  12.286  -1.175   5.179
  115    HA2  GLY  14           HA2      GLY  14  10.722  -0.999   6.894
  116    HA3  GLY  14           HA3      GLY  14  11.524   0.447   7.529
  117    H    THR  15           H        THR  15  10.828   0.579   4.109
  118    HA   THR  15           HA       THR  15   8.657   2.564   4.568
  119    HB   THR  15           HB       THR  15  10.291   1.708   2.148
  120    HG1  THR  15           HG1      THR  15  11.131   3.727   2.364
  121   HG21  THR  15          HG21      THR  15   8.138   2.317   1.221
  122   HG22  THR  15          HG22      THR  15   8.058   3.769   2.251
  123   HG23  THR  15          HG23      THR  15   9.267   3.643   0.952
  124    H    VAL  16           H        VAL  16   6.561   2.127   4.210
  125    HA   VAL  16           HA       VAL  16   5.739  -0.623   3.439
  126    HB   VAL  16           HB       VAL  16   4.363   1.716   4.808
  127   HG11  VAL  16          HG11      VAL  16   2.595   0.676   3.465
  128   HG12  VAL  16          HG12      VAL  16   3.068  -0.938   4.053
  129   HG13  VAL  16          HG13      VAL  16   2.394   0.274   5.166
  130   HG21  VAL  16          HG21      VAL  16   4.971  -1.132   5.719
  131   HG22  VAL  16          HG22      VAL  16   5.883   0.320   6.195
  132   HG23  VAL  16          HG23      VAL  16   4.192   0.132   6.688
  133    H    TYR  17           H        TYR  17   4.324  -1.077   1.830
  134    HA   TYR  17           HA       TYR  17   3.158   0.979   0.092
  135    HB2  TYR  17           HB2      TYR  17   4.148   0.179  -1.942
  136    HB3  TYR  17           HB3      TYR  17   5.424   0.647  -0.858
  137    HD1  TYR  17           HD1      TYR  17   6.760  -1.175   0.365
  138    HD2  TYR  17           HD2      TYR  17   4.085  -2.001  -2.926
  139    HE1  TYR  17           HE1      TYR  17   8.037  -3.240  -0.163
  140    HE2  TYR  17           HE2      TYR  17   5.356  -4.080  -3.428
  141    HH   TYR  17           HH       TYR  17   8.313  -4.962  -1.622
  142    H    TYR  18           H        TYR  18   1.996  -0.378  -1.784
  143    HA   TYR  18           HA       TYR  18   0.482  -2.614  -0.473
  144    HB2  TYR  18           HB2      TYR  18  -0.531  -0.487  -2.399
  145    HB3  TYR  18           HB3      TYR  18  -1.483  -1.739  -1.584
  146    HD1  TYR  18           HD1      TYR  18   0.193   1.533  -1.219
  147    HD2  TYR  18           HD2      TYR  18  -1.954  -1.574   0.851
  148    HE1  TYR  18           HE1      TYR  18  -0.095   3.040   0.736
  149    HE2  TYR  18           HE2      TYR  18  -2.280  -0.057   2.795
  150    HH   TYR  18           HH       TYR  18  -0.941   3.260   2.844
  151    H    PHE  19           H        PHE  19   0.153  -4.434  -1.676
  152    HA   PHE  19           HA       PHE  19   1.081  -4.494  -4.505
  153    HB2  PHE  19           HB2      PHE  19   3.017  -5.013  -3.209
  154    HB3  PHE  19           HB3      PHE  19   2.117  -6.190  -2.238
  155    HD1  PHE  19           HD1      PHE  19   3.120  -5.396  -5.722
  156    HD2  PHE  19           HD2      PHE  19   2.035  -8.515  -2.953
  157    HE1  PHE  19           HE1      PHE  19   3.591  -7.060  -7.451
  158    HE2  PHE  19           HE2      PHE  19   2.581 -10.219  -4.676
  159    HZ   PHE  19           HZ       PHE  19   3.348  -9.512  -6.937
  160    H    ASN  20           H        ASN  20   0.065  -5.820  -5.889
  161    HA   ASN  20           HA       ASN  20  -2.203  -7.418  -4.807
  162    HB2  ASN  20           HB2      ASN  20  -2.606  -5.562  -6.465
  163    HB3  ASN  20           HB3      ASN  20  -1.728  -6.524  -7.664
  164   HD21  ASN  20          HD21      ASN  20  -4.788  -5.769  -6.770
  165   HD22  ASN  20          HD22      ASN  20  -5.579  -7.278  -7.200
  166    H    HIS  21           H        HIS  21  -1.841  -9.538  -4.560
  167    HA   HIS  21           HA       HIS  21   0.475 -10.803  -5.822
  168    HB2  HIS  21           HB2      HIS  21   0.278 -12.436  -4.273
  169    HB3  HIS  21           HB3      HIS  21  -0.493 -11.112  -3.402
  170    HD2  HIS  21           HD2      HIS  21  -3.251 -11.303  -3.108
  171    HE1  HIS  21           HE1      HIS  21  -3.478 -15.445  -4.079
  172    HE2  HIS  21           HE2      HIS  21  -4.725 -13.479  -3.050
  173    H    ILE  22           H        ILE  22  -2.813 -10.504  -6.731
  174    HA   ILE  22           HA       ILE  22  -2.961 -12.945  -8.373
  175    HB   ILE  22           HB       ILE  22  -4.811 -10.539  -8.110
  176   HG12  ILE  22          HG12      ILE  22  -4.539 -11.764  -5.945
  177   HG13  ILE  22          HG13      ILE  22  -6.173 -11.777  -6.582
  178   HG21  ILE  22          HG21      ILE  22  -5.261 -13.221  -9.447
  179   HG22  ILE  22          HG22      ILE  22  -6.555 -12.069  -9.037
  180   HG23  ILE  22          HG23      ILE  22  -5.295 -11.607 -10.183
  181   HD11  ILE  22          HD11      ILE  22  -5.888 -14.109  -7.352
  182   HD12  ILE  22          HD12      ILE  22  -4.209 -14.098  -6.751
  183   HD13  ILE  22          HD13      ILE  22  -5.572 -13.933  -5.624
  184    H    THR  23           H        THR  23  -2.599  -9.443  -8.817
  185    HA   THR  23           HA       THR  23  -2.259  -9.768 -11.749
  186    HB   THR  23           HB       THR  23  -3.065  -7.604 -12.054
  187    HG1  THR  23           HG1      THR  23  -3.627  -6.529  -9.898
  188   HG21  THR  23          HG21      THR  23  -4.716  -8.583  -9.685
  189   HG22  THR  23          HG22      THR  23  -5.225  -7.515 -11.008
  190   HG23  THR  23          HG23      THR  23  -4.861  -9.217 -11.340
  191    H    ASN  24           H        ASN  24  -0.275  -9.191  -9.115
  192    HA   ASN  24           HA       ASN  24   1.773  -8.448  -8.757
  193    HB2  ASN  24           HB2      ASN  24   2.225  -8.695 -11.746
  194    HB3  ASN  24           HB3      ASN  24   3.481  -8.494 -10.518
  195   HD21  ASN  24          HD21      ASN  24   1.982 -10.816 -12.358
  196   HD22  ASN  24          HD22      ASN  24   2.323 -12.196 -11.310
  197    H    ALA  25           H        ALA  25  -0.472  -6.445  -9.653
  198    HA   ALA  25           HA       ALA  25   0.980  -4.037 -10.320
  199    HB1  ALA  25           HB1      ALA  25  -1.106  -2.912  -9.675
  200    HB2  ALA  25           HB2      ALA  25  -1.447  -4.322 -10.696
  201    HB3  ALA  25           HB3      ALA  25  -1.712  -4.409  -8.939
  202    H    SER  26           H        SER  26   1.461  -2.232  -8.937
  203    HA   SER  26           HA       SER  26   1.511  -2.670  -6.025
  204    HB2  SER  26           HB2      SER  26   3.842  -1.993  -5.777
  205    HB3  SER  26           HB3      SER  26   3.682  -3.523  -6.638
  206    HG   SER  26           HG       SER  26   4.096  -2.480  -8.562
  207    H    GLN  27           H        GLN  27   1.598  -0.760  -4.783
  208    HA   GLN  27           HA       GLN  27   1.699   1.883  -6.124
  209    HB2  GLN  27           HB2      GLN  27  -0.714   0.844  -4.575
  210    HB3  GLN  27           HB3      GLN  27  -0.378   2.561  -4.853
  211    HG2  GLN  27           HG2      GLN  27  -0.530   2.305  -7.231
  212    HG3  GLN  27           HG3      GLN  27  -0.827   0.558  -7.073
  213   HE21  GLN  27          HE21      GLN  27  -2.456   2.512  -4.620
  214   HE22  GLN  27          HE22      GLN  27  -4.005   2.541  -5.465
  215    H    PHE  28           H        PHE  28   2.191   3.601  -4.809
  216    HA   PHE  28           HA       PHE  28   3.027   3.029  -2.037
  217    HB2  PHE  28           HB2      PHE  28   3.586   5.325  -3.885
  218    HB3  PHE  28           HB3      PHE  28   3.866   5.433  -2.145
  219    HD1  PHE  28           HD1      PHE  28   5.510   3.968  -0.987
  220    HD2  PHE  28           HD2      PHE  28   5.091   3.993  -5.282
  221    HE1  PHE  28           HE1      PHE  28   7.744   2.909  -1.215
  222    HE2  PHE  28           HE2      PHE  28   7.322   2.921  -5.504
  223    HZ   PHE  28           HZ       PHE  28   8.656   2.388  -3.472
  224    H    GLU  29           H        GLU  29   0.286   4.228  -3.551
  225    HA   GLU  29           HA       GLU  29  -0.828   5.337  -1.001
  226    HB2  GLU  29           HB2      GLU  29  -0.742   6.972  -2.822
  227    HB3  GLU  29           HB3      GLU  29  -1.613   5.859  -3.894
  228    HG2  GLU  29           HG2      GLU  29  -3.607   5.992  -2.477
  229    HG3  GLU  29           HG3      GLU  29  -2.736   6.964  -1.286
  230    H    ARG  30           H        ARG  30  -2.928   4.505  -0.345
  231    HA   ARG  30           HA       ARG  30  -3.012   1.731  -0.740
  232    HB2  ARG  30           HB2      ARG  30  -4.846   1.583   0.693
  233    HB3  ARG  30           HB3      ARG  30  -3.820   2.849   1.308
  234    HG2  ARG  30           HG2      ARG  30  -5.380   4.485   1.025
  235    HG3  ARG  30           HG3      ARG  30  -6.056   3.807  -0.462
  236    HD2  ARG  30           HD2      ARG  30  -6.521   2.690   2.317
  237    HD3  ARG  30           HD3      ARG  30  -7.646   3.730   1.432
  238    HE   ARG  30           HE       ARG  30  -7.385   1.733  -0.377
  239   HH11  ARG  30          HH11      ARG  30  -7.890   1.349   3.102
  240   HH12  ARG  30          HH12      ARG  30  -8.667  -0.204   2.849
  241   HH21  ARG  30          HH21      ARG  30  -8.499  -0.064  -0.558
  242   HH22  ARG  30          HH22      ARG  30  -9.142  -0.891   0.867
  243    HA   PRO  31           HA       PRO  31  -5.407   1.103  -4.379
  244    HB2  PRO  31           HB2      PRO  31  -6.180  -1.492  -4.092
  245    HB3  PRO  31           HB3      PRO  31  -4.467  -1.010  -4.348
  246    HG2  PRO  31           HG2      PRO  31  -5.887  -1.595  -1.731
  247    HG3  PRO  31           HG3      PRO  31  -4.323  -2.273  -2.298
  248    HD2  PRO  31           HD2      PRO  31  -4.432  -0.163  -0.616
  249    HD3  PRO  31           HD3      PRO  31  -3.215  -0.230  -1.932
  250    H    SER  32           H        SER  32  -7.481   0.824  -5.242
  251    HA   SER  32           HA       SER  32  -9.807   0.675  -3.364
  252    HB2  SER  32           HB2      SER  32 -10.938   2.348  -4.745
  253    HB3  SER  32           HB3      SER  32  -9.434   2.981  -4.054
  254    HG   SER  32           HG       SER  32  -9.655   3.496  -6.277
  255    H    GLY  33           H        GLY  33  -8.364  -0.751  -6.109
  256    HA2  GLY  33           HA2      GLY  33 -10.096  -2.877  -6.403
  257    HA3  GLY  33           HA3      GLY  33 -10.755  -1.664  -7.504
  258    H1   GAL 101           H1       GAL  34  12.009   1.531   0.685
  259    H2   GAL 101           H2       GAL  34  13.736   3.872  -0.279
  260    H3   GAL 101           H3       GAL  34  10.912   3.104  -1.174
  261    H4   GAL 101           H4       GAL  34  11.893   2.495  -3.346
  262    H5   GAL 101           H5       GAL  34  11.730   0.717  -1.659
  263    H61  GAL 101           H61      GAL  34  13.278  -0.910  -2.518
  264    H62  GAL 101           H62      GAL  34  12.822   0.148  -3.871
  265    HO2  GAL 101           H2O      GAL  34  11.919   5.069   0.534
  266    HO3  GAL 101           H3O      GAL  34  12.689   4.900  -2.450
  267    HO4  GAL 101           H4O      GAL  34  14.372   2.325  -3.181
  268    HO6  GAL 101           H6O      GAL  34  15.181   0.304  -2.255
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1 -11.453  -1.961   4.017
    2    H2   LYS   1           H2       LYS   1 -11.567  -3.078   5.204
    3    H3   LYS   1           H3       LYS   1 -11.743  -3.530   3.641
    4    HA   LYS   1           HA       LYS   1  -9.291  -2.465   4.868
    5    HB2  LYS   1           HB2      LYS   1  -9.697  -4.662   5.728
    6    HB3  LYS   1           HB3      LYS   1  -9.995  -5.321   4.122
    7    HG2  LYS   1           HG2      LYS   1  -7.655  -5.051   3.509
    8    HG3  LYS   1           HG3      LYS   1  -7.307  -4.191   5.022
    9    HD2  LYS   1           HD2      LYS   1  -7.645  -6.218   6.309
   10    HD3  LYS   1           HD3      LYS   1  -8.388  -7.038   4.930
   11    HE2  LYS   1           HE2      LYS   1  -6.157  -7.905   5.192
   12    HE3  LYS   1           HE3      LYS   1  -6.256  -6.986   3.693
   13    HZ1  LYS   1           HZ1      LYS   1  -5.187  -5.117   4.894
   14    HZ2  LYS   1           HZ2      LYS   1  -5.022  -6.060   6.226
   15    HZ3  LYS   1           HZ3      LYS   1  -4.240  -6.447   4.836
   16    H    LEU   2           H        LEU   2  -9.564  -4.634   2.058
   17    HA   LEU   2           HA       LEU   2  -8.463  -2.532   0.281
   18    HB2  LEU   2           HB2      LEU   2  -7.184  -5.216   0.941
   19    HB3  LEU   2           HB3      LEU   2  -6.662  -4.171  -0.383
   20    HG   LEU   2           HG       LEU   2  -6.537  -3.317   2.535
   21   HD11  LEU   2          HD11      LEU   2  -4.370  -4.425   0.722
   22   HD12  LEU   2          HD12      LEU   2  -4.136  -3.793   2.368
   23   HD13  LEU   2          HD13      LEU   2  -5.090  -5.269   2.110
   24   HD21  LEU   2          HD21      LEU   2  -5.059  -1.586   1.750
   25   HD22  LEU   2          HD22      LEU   2  -5.095  -2.233   0.099
   26   HD23  LEU   2          HD23      LEU   2  -6.544  -1.479   0.803
   27    HA   PRO   3           HA       PRO   3 -10.837  -4.693  -2.828
   28    HB2  PRO   3           HB2      PRO   3  -8.817  -4.175  -4.919
   29    HB3  PRO   3           HB3      PRO   3 -10.460  -3.496  -4.743
   30    HG2  PRO   3           HG2      PRO   3  -8.196  -1.997  -4.339
   31    HG3  PRO   3           HG3      PRO   3  -9.719  -1.724  -3.426
   32    HD2  PRO   3           HD2      PRO   3  -7.282  -3.312  -2.592
   33    HD3  PRO   3           HD3      PRO   3  -8.171  -2.058  -1.679
   34    HA   PRO   4           HA       PRO   4  -9.498  -8.818  -3.298
   35    HB2  PRO   4           HB2      PRO   4  -9.948  -9.615  -5.918
   36    HB3  PRO   4           HB3      PRO   4 -11.201  -9.424  -4.652
   37    HG2  PRO   4           HG2      PRO   4 -10.373  -7.427  -6.776
   38    HG3  PRO   4           HG3      PRO   4 -12.030  -7.925  -6.293
   39    HD2  PRO   4           HD2      PRO   4 -10.945  -5.650  -5.361
   40    HD3  PRO   4           HD3      PRO   4 -11.903  -6.694  -4.264
   41    H    GLY   5           H        GLY   5  -7.637  -9.849  -3.367
   42    HA2  GLY   5           HA2      GLY   5  -5.576 -10.629  -4.081
   43    HA3  GLY   5           HA3      GLY   5  -5.627  -9.532  -5.475
   44    H    TRP   6           H        TRP   6  -6.152  -7.263  -3.312
   45    HA   TRP   6           HA       TRP   6  -3.336  -6.540  -3.067
   46    HB2  TRP   6           HB2      TRP   6  -5.870  -5.162  -2.207
   47    HB3  TRP   6           HB3      TRP   6  -4.250  -4.499  -1.970
   48    HD1  TRP   6           HD1      TRP   6  -6.845  -5.149  -4.645
   49    HE1  TRP   6           HE1      TRP   6  -6.322  -3.738  -6.731
   50    HE3  TRP   6           HE3      TRP   6  -2.109  -3.662  -3.420
   51    HZ2  TRP   6           HZ2      TRP   6  -3.966  -2.577  -7.915
   52    HZ3  TRP   6           HZ3      TRP   6  -0.720  -2.424  -5.080
   53    HH2  TRP   6           HH2      TRP   6  -1.627  -1.887  -7.323
   54    H    GLU   7           H        GLU   7  -2.061  -6.359  -1.316
   55    HA   GLU   7           HA       GLU   7  -3.148  -6.469   1.402
   56    HB2  GLU   7           HB2      GLU   7  -2.712  -8.857   0.778
   57    HB3  GLU   7           HB3      GLU   7  -1.026  -8.451   0.481
   58    HG2  GLU   7           HG2      GLU   7  -1.393  -9.568   2.652
   59    HG3  GLU   7           HG3      GLU   7  -0.667  -7.984   2.841
   60    H    LYS   8           H        LYS   8  -1.574  -5.734   3.015
   61    HA   LYS   8           HA       LYS   8   0.251  -3.674   2.080
   62    HB2  LYS   8           HB2      LYS   8  -0.339  -4.845   4.806
   63    HB3  LYS   8           HB3      LYS   8   1.031  -3.752   4.549
   64    HG2  LYS   8           HG2      LYS   8  -0.451  -2.031   3.597
   65    HG3  LYS   8           HG3      LYS   8  -1.842  -3.114   3.803
   66    HD2  LYS   8           HD2      LYS   8  -1.894  -1.552   5.610
   67    HD3  LYS   8           HD3      LYS   8  -1.377  -3.099   6.299
   68    HE2  LYS   8           HE2      LYS   8   1.010  -2.312   6.185
   69    HE3  LYS   8           HE3      LYS   8   0.453  -0.783   5.497
   70    HZ1  LYS   8           HZ1      LYS   8  -0.274  -1.799   8.194
   71    HZ2  LYS   8           HZ2      LYS   8   0.803  -0.610   7.895
   72    HZ3  LYS   8           HZ3      LYS   8  -0.777  -0.378   7.560
   73    H    ARG   9           H        ARG   9   2.352  -3.506   2.109
   74    HA   ARG   9           HA       ARG   9   4.122  -5.901   2.260
   75    HB2  ARG   9           HB2      ARG   9   2.939  -5.133  -0.117
   76    HB3  ARG   9           HB3      ARG   9   4.325  -4.073  -0.122
   77    HG2  ARG   9           HG2      ARG   9   4.843  -6.049  -1.374
   78    HG3  ARG   9           HG3      ARG   9   5.804  -6.132   0.119
   79    HD2  ARG   9           HD2      ARG   9   4.255  -7.758   1.076
   80    HD3  ARG   9           HD3      ARG   9   3.104  -7.496  -0.256
   81    HE   ARG   9           HE       ARG   9   5.709  -8.396  -1.187
   82   HH11  ARG   9          HH11      ARG   9   5.867 -10.374  -2.176
   83   HH12  ARG   9          HH12      ARG   9   4.620 -11.567  -1.944
   84   HH21  ARG   9          HH21      ARG   9   2.863 -11.152  -0.700
   85   HH22  ARG   9          HH22      ARG   9   2.685  -9.613   0.103
   86    H    MET  10           H        MET  10   6.478  -5.228   2.076
   87    HA   MET  10           HA       MET  10   7.035  -2.424   2.743
   88    HB2  MET  10           HB2      MET  10   6.258  -3.521   4.894
   89    HB3  MET  10           HB3      MET  10   7.658  -4.592   4.781
   90    HG2  MET  10           HG2      MET  10   9.131  -2.524   4.803
   91    HG3  MET  10           HG3      MET  10   7.670  -1.560   5.005
   92    HE1  MET  10           HE1      MET  10   8.993  -4.968   6.680
   93    HE2  MET  10           HE2      MET  10  10.346  -3.816   6.599
   94    HE3  MET  10           HE3      MET  10   9.658  -4.272   8.172
   95    H    PHE  11           H        PHE  11   9.003  -1.781   2.258
   96    HA   PHE  11           HA       PHE  11  10.913  -3.521   0.925
   97    HB2  PHE  11           HB2      PHE  11  10.897  -0.578   1.609
   98    HB3  PHE  11           HB3      PHE  11  12.218  -1.368   0.743
   99    HD1  PHE  11           HD1      PHE  11   9.049   0.269   0.380
  100    HD2  PHE  11           HD2      PHE  11  11.654  -2.629  -1.466
  101    HE1  PHE  11           HE1      PHE  11   7.944   0.669  -1.785
  102    HE2  PHE  11           HE2      PHE  11  10.522  -2.245  -3.644
  103    HZ   PHE  11           HZ       PHE  11   8.672  -0.586  -3.814
  104    H    ALA  12           H        ALA  12  13.229  -3.588   1.405
  105    HA   ALA  12           HA       ALA  12  13.788  -4.527   4.021
  106    HB1  ALA  12           HB1      ALA  12  15.682  -3.604   1.814
  107    HB2  ALA  12           HB2      ALA  12  16.110  -4.640   3.193
  108    HB3  ALA  12           HB3      ALA  12  14.969  -5.227   1.970
  109    H    ASN  13           H        ASN  13  13.928  -1.252   2.809
  110    HA   ASN  13           HA       ASN  13  15.554  -0.204   5.020
  111    HB2  ASN  13           HB2      ASN  13  15.159   1.977   3.951
  112    HB3  ASN  13           HB3      ASN  13  15.749   0.771   2.795
  113   HD21  ASN  13          HD21      ASN  13  14.903   2.386   1.238
  114    H    GLY  14           H        GLY  14  12.383  -1.272   4.968
  115    HA2  GLY  14           HA2      GLY  14  10.848  -1.132   6.713
  116    HA3  GLY  14           HA3      GLY  14  11.667   0.296   7.367
  117    H    THR  15           H        THR  15  10.800   0.366   3.961
  118    HA   THR  15           HA       THR  15   8.739   2.443   4.476
  119    HB   THR  15           HB       THR  15  10.029   1.463   1.907
  120    HG1  THR  15           HG1      THR  15  11.472   2.438   3.164
  121   HG21  THR  15          HG21      THR  15   8.225   3.843   2.427
  122   HG22  THR  15          HG22      THR  15   9.201   3.609   0.955
  123   HG23  THR  15          HG23      THR  15   7.917   2.459   1.342
  124    H    VAL  16           H        VAL  16   6.596   2.033   4.326
  125    HA   VAL  16           HA       VAL  16   5.684  -0.676   3.508
  126    HB   VAL  16           HB       VAL  16   4.388   1.609   5.034
  127   HG11  VAL  16          HG11      VAL  16   2.486   0.100   5.487
  128   HG12  VAL  16          HG12      VAL  16   2.563   0.545   3.788
  129   HG13  VAL  16          HG13      VAL  16   3.120  -1.066   4.304
  130   HG21  VAL  16          HG21      VAL  16   5.133  -1.239   5.840
  131   HG22  VAL  16          HG22      VAL  16   6.029   0.229   6.294
  132   HG23  VAL  16          HG23      VAL  16   4.379  -0.023   6.887
  133    H    TYR  17           H        TYR  17   4.207  -1.070   1.955
  134    HA   TYR  17           HA       TYR  17   2.916   1.028   0.357
  135    HB2  TYR  17           HB2      TYR  17   3.896   0.386  -1.735
  136    HB3  TYR  17           HB3      TYR  17   5.192   0.803  -0.656
  137    HD1  TYR  17           HD1      TYR  17   6.594  -1.063   0.405
  138    HD2  TYR  17           HD2      TYR  17   3.821  -1.733  -2.835
  139    HE1  TYR  17           HE1      TYR  17   7.838  -3.118  -0.245
  140    HE2  TYR  17           HE2      TYR  17   5.033  -3.823  -3.439
  141    HH   TYR  17           HH       TYR  17   8.035  -4.802  -1.764
  142    H    TYR  18           H        TYR  18   1.772  -0.343  -1.572
  143    HA   TYR  18           HA       TYR  18   0.451  -2.722  -0.329
  144    HB2  TYR  18           HB2      TYR  18  -0.735  -0.601  -2.145
  145    HB3  TYR  18           HB3      TYR  18  -1.564  -2.048  -1.551
  146    HD1  TYR  18           HD1      TYR  18  -0.295   1.295  -0.664
  147    HD2  TYR  18           HD2      TYR  18  -2.248  -2.258   0.820
  148    HE1  TYR  18           HE1      TYR  18  -0.957   2.521   1.404
  149    HE2  TYR  18           HE2      TYR  18  -2.927  -1.022   2.872
  150    HH   TYR  18           HH       TYR  18  -2.894   0.968   3.981
  151    H    PHE  19           H        PHE  19   0.151  -4.534  -1.525
  152    HA   PHE  19           HA       PHE  19   1.107  -4.571  -4.351
  153    HB2  PHE  19           HB2      PHE  19   3.020  -5.101  -3.023
  154    HB3  PHE  19           HB3      PHE  19   2.109  -6.299  -2.091
  155    HD1  PHE  19           HD1      PHE  19   3.211  -5.438  -5.522
  156    HD2  PHE  19           HD2      PHE  19   1.992  -8.617  -2.874
  157    HE1  PHE  19           HE1      PHE  19   3.742  -7.067  -7.268
  158    HE2  PHE  19           HE2      PHE  19   2.614 -10.280  -4.606
  159    HZ   PHE  19           HZ       PHE  19   3.480  -9.528  -6.814
  160    H    ASN  20           H        ASN  20   0.043  -5.823  -5.749
  161    HA   ASN  20           HA       ASN  20  -2.226  -7.435  -4.712
  162    HB2  ASN  20           HB2      ASN  20  -2.571  -5.603  -6.413
  163    HB3  ASN  20           HB3      ASN  20  -1.674  -6.597  -7.572
  164   HD21  ASN  20          HD21      ASN  20  -4.735  -5.792  -6.776
  165   HD22  ASN  20          HD22      ASN  20  -5.550  -7.299  -7.154
  166    H    HIS  21           H        HIS  21  -1.872  -9.551  -4.428
  167    HA   HIS  21           HA       HIS  21   0.463 -10.860  -5.562
  168    HB2  HIS  21           HB2      HIS  21   0.074 -12.521  -4.069
  169    HB3  HIS  21           HB3      HIS  21  -0.745 -11.195  -3.249
  170    HD2  HIS  21           HD2      HIS  21  -3.368 -11.464  -2.833
  171    HE1  HIS  21           HE1      HIS  21  -3.865 -15.319  -4.579
  172    HE2  HIS  21           HE2      HIS  21  -4.980 -13.519  -3.165
  173    H    ILE  22           H        ILE  22  -2.827 -10.575  -6.648
  174    HA   ILE  22           HA       ILE  22  -2.833 -12.982  -8.320
  175    HB   ILE  22           HB       ILE  22  -4.765 -10.618  -8.179
  176   HG12  ILE  22          HG12      ILE  22  -4.778 -13.305  -6.713
  177   HG13  ILE  22          HG13      ILE  22  -4.599 -11.701  -5.990
  178   HG21  ILE  22          HG21      ILE  22  -4.967 -11.916 -10.279
  179   HG22  ILE  22          HG22      ILE  22  -5.142 -13.414  -9.336
  180   HG23  ILE  22          HG23      ILE  22  -6.375 -12.132  -9.263
  181   HD11  ILE  22          HD11      ILE  22  -7.113 -12.861  -7.226
  182   HD12  ILE  22          HD12      ILE  22  -6.812 -12.411  -5.542
  183   HD13  ILE  22          HD13      ILE  22  -6.930 -11.144  -6.781
  184    H    THR  23           H        THR  23  -2.498  -9.480  -8.751
  185    HA   THR  23           HA       THR  23  -2.063  -9.799 -11.670
  186    HB   THR  23           HB       THR  23  -2.857  -7.629 -11.985
  187    HG1  THR  23           HG1      THR  23  -3.489  -6.578  -9.837
  188   HG21  THR  23          HG21      THR  23  -5.050  -7.561 -11.011
  189   HG22  THR  23          HG22      THR  23  -4.667  -9.262 -11.329
  190   HG23  THR  23          HG23      THR  23  -4.576  -8.623  -9.672
  191    H    ASN  24           H        ASN  24  -0.152  -9.255  -8.984
  192    HA   ASN  24           HA       ASN  24   1.885  -8.515  -8.559
  193    HB2  ASN  24           HB2      ASN  24   2.426  -8.749 -11.536
  194    HB3  ASN  24           HB3      ASN  24   3.644  -8.570 -10.265
  195   HD21  ASN  24          HD21      ASN  24   2.126 -10.861 -12.158
  196   HD22  ASN  24          HD22      ASN  24   2.445 -12.255 -11.121
  197    H    ALA  25           H        ALA  25  -0.327  -6.511  -9.516
  198    HA   ALA  25           HA       ALA  25   1.144  -4.109 -10.160
  199    HB1  ALA  25           HB1      ALA  25  -1.271  -4.400 -10.609
  200    HB2  ALA  25           HB2      ALA  25  -1.590  -4.471  -8.861
  201    HB3  ALA  25           HB3      ALA  25  -0.961  -2.981  -9.592
  202    H    SER  26           H        SER  26   1.587  -2.301  -8.783
  203    HA   SER  26           HA       SER  26   1.568  -2.717  -5.866
  204    HB2  SER  26           HB2      SER  26   3.884  -2.012  -5.577
  205    HB3  SER  26           HB3      SER  26   3.760  -3.547  -6.435
  206    HG   SER  26           HG       SER  26   4.207  -2.508  -8.352
  207    H    GLN  27           H        GLN  27   1.603  -0.782  -4.641
  208    HA   GLN  27           HA       GLN  27   1.850   1.831  -5.953
  209    HB2  GLN  27           HB2      GLN  27  -0.789   0.603  -5.408
  210    HB3  GLN  27           HB3      GLN  27  -0.588   2.131  -4.577
  211    HG2  GLN  27           HG2      GLN  27  -0.221   1.751  -7.559
  212    HG3  GLN  27           HG3      GLN  27  -1.652   2.395  -6.759
  213   HE21  GLN  27          HE21      GLN  27  -0.508   3.967  -8.693
  214   HE22  GLN  27          HE22      GLN  27   0.304   5.333  -7.916
  215    H    PHE  28           H        PHE  28   2.090   3.559  -4.564
  216    HA   PHE  28           HA       PHE  28   2.757   2.943  -1.752
  217    HB2  PHE  28           HB2      PHE  28   3.200   5.382  -3.471
  218    HB3  PHE  28           HB3      PHE  28   3.450   5.372  -1.722
  219    HD1  PHE  28           HD1      PHE  28   4.827   4.328  -4.943
  220    HD2  PHE  28           HD2      PHE  28   5.187   3.911  -0.662
  221    HE1  PHE  28           HE1      PHE  28   7.132   3.442  -5.221
  222    HE2  PHE  28           HE2      PHE  28   7.494   3.038  -0.948
  223    HZ   PHE  28           HZ       PHE  28   8.471   2.804  -3.224
  224    H    GLU  29           H        GLU  29   0.252   4.550  -3.566
  225    HA   GLU  29           HA       GLU  29  -1.162   5.535  -1.163
  226    HB2  GLU  29           HB2      GLU  29  -1.285   6.942  -3.086
  227    HB3  GLU  29           HB3      GLU  29  -1.650   5.588  -4.147
  228    HG2  GLU  29           HG2      GLU  29  -3.557   7.035  -3.896
  229    HG3  GLU  29           HG3      GLU  29  -3.898   5.418  -3.321
  230    H    ARG  30           H        ARG  30  -3.239   4.688  -0.470
  231    HA   ARG  30           HA       ARG  30  -3.303   1.826  -0.609
  232    HB2  ARG  30           HB2      ARG  30  -5.225   1.814   0.784
  233    HB3  ARG  30           HB3      ARG  30  -4.006   2.907   1.372
  234    HG2  ARG  30           HG2      ARG  30  -6.051   3.908   1.836
  235    HG3  ARG  30           HG3      ARG  30  -5.321   4.858   0.542
  236    HD2  ARG  30           HD2      ARG  30  -7.855   4.431   0.472
  237    HD3  ARG  30           HD3      ARG  30  -6.955   4.220  -1.009
  238    HE   ARG  30           HE       ARG  30  -7.623   2.022  -1.089
  239   HH11  ARG  30          HH11      ARG  30  -7.909   2.860   2.324
  240   HH12  ARG  30          HH12      ARG  30  -8.478   1.253   2.713
  241   HH21  ARG  30          HH21      ARG  30  -8.391   0.140  -0.530
  242   HH22  ARG  30          HH22      ARG  30  -8.709  -0.262   1.163
  243    HA   PRO  31           HA       PRO  31  -5.317   1.302  -4.445
  244    HB2  PRO  31           HB2      PRO  31  -5.928  -1.359  -4.399
  245    HB3  PRO  31           HB3      PRO  31  -4.244  -0.741  -4.465
  246    HG2  PRO  31           HG2      PRO  31  -5.819  -1.596  -2.014
  247    HG3  PRO  31           HG3      PRO  31  -4.169  -2.115  -2.490
  248    HD2  PRO  31           HD2      PRO  31  -4.534  -0.126  -0.705
  249    HD3  PRO  31           HD3      PRO  31  -3.248  -0.022  -1.949
  250    H    SER  32           H        SER  32  -7.288   0.991  -5.515
  251    HA   SER  32           HA       SER  32  -9.763   0.855  -3.843
  252    HB2  SER  32           HB2      SER  32 -10.651   2.724  -5.153
  253    HB3  SER  32           HB3      SER  32  -9.165   3.168  -4.298
  254    HG   SER  32           HG       SER  32  -9.157   3.882  -6.474
  255    H    GLY  33           H        GLY  33  -8.251  -0.689  -6.394
  256    HA2  GLY  33           HA2      GLY  33 -10.388  -2.393  -7.006
  257    HA3  GLY  33           HA3      GLY  33 -10.402  -1.147  -8.254
  258    H1   GAL 101           H1       GAL  34  12.023   1.823   0.671
  259    H2   GAL 101           H2       GAL  34  13.727   4.143  -0.387
  260    H3   GAL 101           H3       GAL  34  10.792   3.400  -0.839
  261    H4   GAL 101           H4       GAL  34  11.419   2.868  -3.137
  262    H5   GAL 101           H5       GAL  34  11.636   0.988  -1.617
  263    H61  GAL 101           H61      GAL  34  12.428   0.352  -3.806
  264    H62  GAL 101           H62      GAL  34  14.005   1.126  -3.533
  265    HO2  GAL 101           H2O      GAL  34  11.703   4.018   1.635
  266    HO3  GAL 101           H3O      GAL  34  11.429   5.696  -0.880
  267    HO4  GAL 101           H4O      GAL  34  13.161   4.464  -3.103
  268    HO6  GAL 101           H6O      GAL  34  14.112  -0.331  -1.629
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -11.142  -5.308   3.502
    2    H2   LYS   1           H2       LYS   1 -11.953  -3.884   3.543
    3    H3   LYS   1           H3       LYS   1 -11.635  -4.685   4.929
    4    HA   LYS   1           HA       LYS   1 -10.187  -2.809   4.740
    5    HB2  LYS   1           HB2      LYS   1  -9.406  -4.968   5.831
    6    HB3  LYS   1           HB3      LYS   1  -8.561  -5.350   4.332
    7    HG2  LYS   1           HG2      LYS   1  -7.346  -3.076   4.613
    8    HG3  LYS   1           HG3      LYS   1  -8.131  -2.967   6.184
    9    HD2  LYS   1           HD2      LYS   1  -5.961  -3.800   6.610
   10    HD3  LYS   1           HD3      LYS   1  -7.035  -5.195   6.785
   11    HE2  LYS   1           HE2      LYS   1  -6.427  -5.911   4.453
   12    HE3  LYS   1           HE3      LYS   1  -5.370  -4.497   4.317
   13    HZ1  LYS   1           HZ1      LYS   1  -4.090  -5.402   6.212
   14    HZ2  LYS   1           HZ2      LYS   1  -5.015  -6.752   6.210
   15    HZ3  LYS   1           HZ3      LYS   1  -4.062  -6.403   4.924
   16    H    LEU   2           H        LEU   2  -9.134  -5.131   2.184
   17    HA   LEU   2           HA       LEU   2  -8.532  -2.829   0.391
   18    HB2  LEU   2           HB2      LEU   2  -6.951  -5.386   0.837
   19    HB3  LEU   2           HB3      LEU   2  -6.594  -4.184  -0.411
   20    HG   LEU   2           HG       LEU   2  -6.529  -3.523   2.549
   21   HD11  LEU   2          HD11      LEU   2  -4.081  -3.704   2.352
   22   HD12  LEU   2          HD12      LEU   2  -4.878  -5.259   2.048
   23   HD13  LEU   2          HD13      LEU   2  -4.260  -4.298   0.685
   24   HD21  LEU   2          HD21      LEU   2  -5.228  -1.595   1.835
   25   HD22  LEU   2          HD22      LEU   2  -5.265  -2.154   0.151
   26   HD23  LEU   2          HD23      LEU   2  -6.753  -1.591   0.947
   27    HA   PRO   3           HA       PRO   3 -10.875  -4.958  -2.703
   28    HB2  PRO   3           HB2      PRO   3  -8.971  -4.229  -4.860
   29    HB3  PRO   3           HB3      PRO   3 -10.657  -3.697  -4.608
   30    HG2  PRO   3           HG2      PRO   3  -8.517  -2.033  -4.202
   31    HG3  PRO   3           HG3      PRO   3 -10.003  -1.941  -3.195
   32    HD2  PRO   3           HD2      PRO   3  -7.401  -3.372  -2.597
   33    HD3  PRO   3           HD3      PRO   3  -8.330  -2.254  -1.558
   34    HA   PRO   4           HA       PRO   4  -9.643  -8.995  -3.700
   35    HB2  PRO   4           HB2      PRO   4  -9.882  -8.498  -6.677
   36    HB3  PRO   4           HB3      PRO   4 -10.498  -9.878  -5.707
   37    HG2  PRO   4           HG2      PRO   4 -12.178  -7.879  -6.386
   38    HG3  PRO   4           HG3      PRO   4 -12.190  -8.500  -4.700
   39    HD2  PRO   4           HD2      PRO   4 -10.832  -6.018  -5.783
   40    HD3  PRO   4           HD3      PRO   4 -11.807  -6.216  -4.292
   41    H    GLY   5           H        GLY   5  -7.756  -9.924  -3.480
   42    HA2  GLY   5           HA2      GLY   5  -5.643 -10.717  -3.897
   43    HA3  GLY   5           HA3      GLY   5  -5.590  -9.801  -5.412
   44    H    TRP   6           H        TRP   6  -6.252  -7.381  -3.277
   45    HA   TRP   6           HA       TRP   6  -3.454  -6.558  -3.088
   46    HB2  TRP   6           HB2      TRP   6  -6.029  -5.266  -2.222
   47    HB3  TRP   6           HB3      TRP   6  -4.435  -4.563  -1.933
   48    HD1  TRP   6           HD1      TRP   6  -6.974  -5.155  -4.666
   49    HE1  TRP   6           HE1      TRP   6  -6.383  -3.759  -6.739
   50    HE3  TRP   6           HE3      TRP   6  -2.264  -3.718  -3.309
   51    HZ2  TRP   6           HZ2      TRP   6  -3.979  -2.613  -7.856
   52    HZ3  TRP   6           HZ3      TRP   6  -0.803  -2.522  -4.938
   53    HH2  TRP   6           HH2      TRP   6  -1.644  -1.968  -7.206
   54    H    GLU   7           H        GLU   7  -2.145  -6.345  -1.369
   55    HA   GLU   7           HA       GLU   7  -3.159  -6.514   1.371
   56    HB2  GLU   7           HB2      GLU   7  -2.677  -8.887   0.683
   57    HB3  GLU   7           HB3      GLU   7  -1.006  -8.430   0.389
   58    HG2  GLU   7           HG2      GLU   7  -1.348  -9.595   2.547
   59    HG3  GLU   7           HG3      GLU   7  -0.639  -8.005   2.748
   60    H    LYS   8           H        LYS   8  -1.573  -5.745   2.955
   61    HA   LYS   8           HA       LYS   8   0.242  -3.684   1.944
   62    HB2  LYS   8           HB2      LYS   8  -0.404  -4.713   4.714
   63    HB3  LYS   8           HB3      LYS   8   0.976  -3.638   4.429
   64    HG2  LYS   8           HG2      LYS   8  -0.469  -1.954   3.381
   65    HG3  LYS   8           HG3      LYS   8  -1.872  -3.024   3.568
   66    HD2  LYS   8           HD2      LYS   8  -1.980  -1.383   5.307
   67    HD3  LYS   8           HD3      LYS   8  -1.538  -2.918   6.071
   68    HE2  LYS   8           HE2      LYS   8   0.869  -2.188   6.068
   69    HE3  LYS   8           HE3      LYS   8   0.387  -0.671   5.302
   70    HZ1  LYS   8           HZ1      LYS   8  -0.513  -1.581   7.984
   71    HZ2  LYS   8           HZ2      LYS   8   0.603  -0.424   7.708
   72    HZ3  LYS   8           HZ3      LYS   8  -0.950  -0.174   7.275
   73    H    ARG   9           H        ARG   9   2.356  -3.529   1.995
   74    HA   ARG   9           HA       ARG   9   4.097  -5.921   2.345
   75    HB2  ARG   9           HB2      ARG   9   3.060  -5.667  -0.028
   76    HB3  ARG   9           HB3      ARG   9   4.032  -4.215  -0.184
   77    HG2  ARG   9           HG2      ARG   9   5.121  -6.007  -1.312
   78    HG3  ARG   9           HG3      ARG   9   6.097  -5.648   0.124
   79    HD2  ARG   9           HD2      ARG   9   5.032  -7.591   1.285
   80    HD3  ARG   9           HD3      ARG   9   4.094  -7.940  -0.179
   81    HE   ARG   9           HE       ARG   9   6.916  -8.516   0.339
   82   HH11  ARG   9          HH11      ARG   9   7.511  -9.889  -2.747
   83   HH12  ARG   9          HH12      ARG   9   8.098  -9.676  -1.121
   84   HH21  ARG   9          HH21      ARG   9   4.627  -8.103  -2.295
   85   HH22  ARG   9          HH22      ARG   9   5.607  -9.031  -3.395
   86    H    MET  10           H        MET  10   6.480  -5.249   2.133
   87    HA   MET  10           HA       MET  10   7.022  -2.422   2.747
   88    HB2  MET  10           HB2      MET  10   6.222  -3.478   4.903
   89    HB3  MET  10           HB3      MET  10   7.594  -4.586   4.809
   90    HG2  MET  10           HG2      MET  10   9.124  -2.564   4.836
   91    HG3  MET  10           HG3      MET  10   7.691  -1.555   5.018
   92    HE1  MET  10           HE1      MET  10   9.558  -4.314   8.219
   93    HE2  MET  10           HE2      MET  10   8.884  -4.996   6.725
   94    HE3  MET  10           HE3      MET  10  10.276  -3.891   6.650
   95    H    PHE  11           H        PHE  11   8.987  -1.793   2.275
   96    HA   PHE  11           HA       PHE  11  10.879  -3.534   0.932
   97    HB2  PHE  11           HB2      PHE  11  10.831  -0.599   1.623
   98    HB3  PHE  11           HB3      PHE  11  12.186  -1.361   0.777
   99    HD1  PHE  11           HD1      PHE  11  11.592  -2.711  -1.418
  100    HD2  PHE  11           HD2      PHE  11   9.093   0.325   0.356
  101    HE1  PHE  11           HE1      PHE  11  10.477  -2.337  -3.608
  102    HE2  PHE  11           HE2      PHE  11   7.989   0.695  -1.824
  103    HZ   PHE  11           HZ       PHE  11   8.679  -0.628  -3.818
  104    H    ALA  12           H        ALA  12  13.203  -3.613   1.385
  105    HA   ALA  12           HA       ALA  12  13.793  -4.544   4.004
  106    HB1  ALA  12           HB1      ALA  12  14.943  -5.268   1.944
  107    HB2  ALA  12           HB2      ALA  12  15.658  -3.647   1.761
  108    HB3  ALA  12           HB3      ALA  12  16.103  -4.669   3.145
  109    H    ASN  13           H        ASN  13  13.917  -1.292   2.746
  110    HA   ASN  13           HA       ASN  13  15.555  -0.184   4.916
  111    HB2  ASN  13           HB2      ASN  13  15.052   1.982   3.828
  112    HB3  ASN  13           HB3      ASN  13  15.704   0.782   2.701
  113   HD21  ASN  13          HD21      ASN  13  14.821   2.226   1.055
  114    H    GLY  14           H        GLY  14  12.378  -1.282   4.894
  115    HA2  GLY  14           HA2      GLY  14  10.900  -1.202   6.687
  116    HA3  GLY  14           HA3      GLY  14  11.716   0.224   7.346
  117    H    THR  15           H        THR  15  10.837   0.515   3.978
  118    HA   THR  15           HA       THR  15   8.663   2.435   4.658
  119    HB   THR  15           HB       THR  15  10.185   1.741   2.115
  120    HG1  THR  15           HG1      THR  15  10.946   3.785   2.380
  121   HG21  THR  15          HG21      THR  15   9.058   3.711   1.076
  122   HG22  THR  15          HG22      THR  15   7.969   2.346   1.329
  123   HG23  THR  15          HG23      THR  15   7.914   3.740   2.437
  124    H    VAL  16           H        VAL  16   6.559   1.984   4.387
  125    HA   VAL  16           HA       VAL  16   5.724  -0.726   3.499
  126    HB   VAL  16           HB       VAL  16   4.393   1.513   5.064
  127   HG11  VAL  16          HG11      VAL  16   2.574   0.519   3.757
  128   HG12  VAL  16          HG12      VAL  16   3.099  -1.117   4.230
  129   HG13  VAL  16          HG13      VAL  16   2.469   0.023   5.441
  130   HG21  VAL  16          HG21      VAL  16   4.331  -0.173   6.862
  131   HG22  VAL  16          HG22      VAL  16   5.080  -1.369   5.789
  132   HG23  VAL  16          HG23      VAL  16   5.995   0.069   6.302
  133    H    TYR  17           H        TYR  17   4.231  -1.099   1.928
  134    HA   TYR  17           HA       TYR  17   2.969   1.047   0.371
  135    HB2  TYR  17           HB2      TYR  17   3.920   0.400  -1.740
  136    HB3  TYR  17           HB3      TYR  17   5.221   0.812  -0.662
  137    HD1  TYR  17           HD1      TYR  17   6.615  -1.064   0.399
  138    HD2  TYR  17           HD2      TYR  17   3.843  -1.717  -2.844
  139    HE1  TYR  17           HE1      TYR  17   7.885  -3.090  -0.286
  140    HE2  TYR  17           HE2      TYR  17   5.086  -3.775  -3.489
  141    HH   TYR  17           HH       TYR  17   8.134  -4.705  -1.873
  142    H    TYR  18           H        TYR  18   1.762  -0.198  -1.556
  143    HA   TYR  18           HA       TYR  18   0.370  -2.565  -0.376
  144    HB2  TYR  18           HB2      TYR  18  -0.697  -0.387  -2.194
  145    HB3  TYR  18           HB3      TYR  18  -1.580  -1.833  -1.684
  146    HD1  TYR  18           HD1      TYR  18  -2.399  -2.096   0.627
  147    HD2  TYR  18           HD2      TYR  18  -0.220   1.423  -0.599
  148    HE1  TYR  18           HE1      TYR  18  -3.096  -0.923   2.717
  149    HE2  TYR  18           HE2      TYR  18  -0.902   2.580   1.497
  150    HH   TYR  18           HH       TYR  18  -2.061   2.412   3.454
  151    H    PHE  19           H        PHE  19   0.081  -4.394  -1.552
  152    HA   PHE  19           HA       PHE  19   1.054  -4.464  -4.367
  153    HB2  PHE  19           HB2      PHE  19   2.984  -4.931  -3.027
  154    HB3  PHE  19           HB3      PHE  19   2.099  -6.140  -2.087
  155    HD1  PHE  19           HD1      PHE  19   3.222  -5.289  -5.511
  156    HD2  PHE  19           HD2      PHE  19   1.986  -8.452  -2.857
  157    HE1  PHE  19           HE1      PHE  19   3.774  -6.927  -7.244
  158    HE2  PHE  19           HE2      PHE  19   2.623 -10.128  -4.577
  159    HZ   PHE  19           HZ       PHE  19   3.515  -9.387  -6.780
  160    H    ASN  20           H        ASN  20   0.062  -5.831  -5.733
  161    HA   ASN  20           HA       ASN  20  -2.198  -7.427  -4.635
  162    HB2  ASN  20           HB2      ASN  20  -2.572  -5.605  -6.349
  163    HB3  ASN  20           HB3      ASN  20  -1.709  -6.620  -7.514
  164   HD21  ASN  20          HD21      ASN  20  -4.742  -5.787  -6.651
  165   HD22  ASN  20          HD22      ASN  20  -5.580  -7.302  -6.930
  166    H    HIS  21           H        HIS  21  -1.838  -9.552  -4.346
  167    HA   HIS  21           HA       HIS  21   0.498 -10.831  -5.540
  168    HB2  HIS  21           HB2      HIS  21   0.255 -12.441  -3.988
  169    HB3  HIS  21           HB3      HIS  21  -0.601 -11.142  -3.160
  170    HD2  HIS  21           HD2      HIS  21  -3.347 -11.421  -2.990
  171    HE1  HIS  21           HE1      HIS  21  -3.425 -15.551  -4.035
  172    HE2  HIS  21           HE2      HIS  21  -4.767 -13.635  -3.034
  173    H    ILE  22           H        ILE  22  -2.788 -10.570  -6.542
  174    HA   ILE  22           HA       ILE  22  -2.843 -12.993  -8.209
  175    HB   ILE  22           HB       ILE  22  -4.717 -10.599  -8.013
  176   HG12  ILE  22          HG12      ILE  22  -4.532 -11.852  -5.853
  177   HG13  ILE  22          HG13      ILE  22  -6.139 -11.854  -6.558
  178   HG21  ILE  22          HG21      ILE  22  -5.107 -11.654 -10.115
  179   HG22  ILE  22          HG22      ILE  22  -5.095 -13.273  -9.390
  180   HG23  ILE  22          HG23      ILE  22  -6.412 -12.131  -9.028
  181   HD11  ILE  22          HD11      ILE  22  -5.822 -14.178  -7.335
  182   HD12  ILE  22          HD12      ILE  22  -4.166 -14.171  -6.675
  183   HD13  ILE  22          HD13      ILE  22  -5.568 -14.021  -5.594
  184    H    THR  23           H        THR  23  -2.471  -9.491  -8.628
  185    HA   THR  23           HA       THR  23  -2.063  -9.807 -11.553
  186    HB   THR  23           HB       THR  23  -2.919  -7.669 -11.879
  187    HG1  THR  23           HG1      THR  23  -3.535  -6.571  -9.766
  188   HG21  THR  23          HG21      THR  23  -4.691  -9.316 -11.164
  189   HG22  THR  23          HG22      THR  23  -4.578  -8.646  -9.518
  190   HG23  THR  23          HG23      THR  23  -5.092  -7.616 -10.866
  191    H    ASN  24           H        ASN  24  -0.131  -9.284  -8.922
  192    HA   ASN  24           HA       ASN  24   1.782  -8.368  -8.413
  193    HB2  ASN  24           HB2      ASN  24   3.682  -8.601  -9.823
  194    HB3  ASN  24           HB3      ASN  24   2.635 -10.018  -9.955
  195   HD21  ASN  24          HD21      ASN  24   3.375  -6.917 -11.600
  196   HD22  ASN  24          HD22      ASN  24   3.166  -7.580 -13.229
  197    H    ALA  25           H        ALA  25  -0.363  -6.465  -9.408
  198    HA   ALA  25           HA       ALA  25   1.088  -4.058 -10.136
  199    HB1  ALA  25           HB1      ALA  25  -1.030  -2.943  -9.580
  200    HB2  ALA  25           HB2      ALA  25  -1.322  -4.377 -10.582
  201    HB3  ALA  25           HB3      ALA  25  -1.642  -4.433  -8.834
  202    H    SER  26           H        SER  26   1.532  -2.227  -8.778
  203    HA   SER  26           HA       SER  26   1.519  -2.619  -5.853
  204    HB2  SER  26           HB2      SER  26   3.833  -1.911  -5.597
  205    HB3  SER  26           HB3      SER  26   3.707  -3.426  -6.493
  206    HG   SER  26           HG       SER  26   5.183  -2.003  -7.472
  207    H    GLN  27           H        GLN  27   1.532  -0.696  -4.629
  208    HA   GLN  27           HA       GLN  27   1.680   1.935  -5.978
  209    HB2  GLN  27           HB2      GLN  27  -0.805   0.933  -4.524
  210    HB3  GLN  27           HB3      GLN  27  -0.425   2.645  -4.786
  211    HG2  GLN  27           HG2      GLN  27  -0.477   2.381  -7.172
  212    HG3  GLN  27           HG3      GLN  27  -0.874   0.653  -7.010
  213   HE21  GLN  27          HE21      GLN  27  -2.485   2.621  -4.592
  214   HE22  GLN  27          HE22      GLN  27  -3.996   2.778  -5.491
  215    H    PHE  28           H        PHE  28   2.274   3.614  -4.690
  216    HA   PHE  28           HA       PHE  28   3.006   3.085  -1.902
  217    HB2  PHE  28           HB2      PHE  28   3.453   5.425  -3.733
  218    HB3  PHE  28           HB3      PHE  28   3.734   5.530  -1.992
  219    HD1  PHE  28           HD1      PHE  28   5.438   4.118  -0.854
  220    HD2  PHE  28           HD2      PHE  28   5.030   4.204  -5.148
  221    HE1  PHE  28           HE1      PHE  28   7.722   3.171  -1.094
  222    HE2  PHE  28           HE2      PHE  28   7.310   3.243  -5.383
  223    HZ   PHE  28           HZ       PHE  28   8.662   2.735  -3.357
  224    H    GLU  29           H        GLU  29   0.245   4.266  -3.442
  225    HA   GLU  29           HA       GLU  29  -0.928   5.259  -0.878
  226    HB2  GLU  29           HB2      GLU  29  -0.936   7.055  -2.436
  227    HB3  GLU  29           HB3      GLU  29  -1.404   6.005  -3.764
  228    HG2  GLU  29           HG2      GLU  29  -3.198   7.492  -3.194
  229    HG3  GLU  29           HG3      GLU  29  -3.668   5.822  -2.949
  230    H    ARG  30           H        ARG  30  -3.101   4.513  -0.368
  231    HA   ARG  30           HA       ARG  30  -3.234   1.727  -0.777
  232    HB2  ARG  30           HB2      ARG  30  -5.161   1.626   0.535
  233    HB3  ARG  30           HB3      ARG  30  -4.133   2.851   1.226
  234    HG2  ARG  30           HG2      ARG  30  -5.621   4.536   0.882
  235    HG3  ARG  30           HG3      ARG  30  -6.208   3.916  -0.667
  236    HD2  ARG  30           HD2      ARG  30  -6.918   2.763   2.043
  237    HD3  ARG  30           HD3      ARG  30  -7.940   3.850   1.094
  238    HE   ARG  30           HE       ARG  30  -7.631   1.893  -0.731
  239   HH11  ARG  30          HH11      ARG  30  -8.277   1.386   2.708
  240   HH12  ARG  30          HH12      ARG  30  -9.044  -0.155   2.367
  241   HH21  ARG  30          HH21      ARG  30  -8.745   0.112  -1.024
  242   HH22  ARG  30          HH22      ARG  30  -9.461  -0.756   0.339
  243    HA   PRO  31           HA       PRO  31  -5.384   1.189  -4.583
  244    HB2  PRO  31           HB2      PRO  31  -6.277  -1.377  -4.346
  245    HB3  PRO  31           HB3      PRO  31  -4.536  -0.959  -4.496
  246    HG2  PRO  31           HG2      PRO  31  -6.131  -1.479  -1.960
  247    HG3  PRO  31           HG3      PRO  31  -4.566  -2.219  -2.439
  248    HD2  PRO  31           HD2      PRO  31  -4.654  -0.102  -0.779
  249    HD3  PRO  31           HD3      PRO  31  -3.395  -0.219  -2.050
  250    H    SER  32           H        SER  32  -7.409   0.934  -5.594
  251    HA   SER  32           HA       SER  32  -9.858   0.913  -3.880
  252    HB2  SER  32           HB2      SER  32 -10.804   2.670  -5.293
  253    HB3  SER  32           HB3      SER  32  -9.319   3.207  -4.493
  254    HG   SER  32           HG       SER  32  -9.363   3.777  -6.712
  255    H    GLY  33           H        GLY  33  -8.313  -0.665  -6.422
  256    HA2  GLY  33           HA2      GLY  33 -10.272  -2.575  -6.893
  257    HA3  GLY  33           HA3      GLY  33 -10.547  -1.352  -8.135
  258    H1   GAL 101           H1       GAL  34  11.972   1.524   0.503
  259    H2   GAL 101           H2       GAL  34  13.475   4.009  -0.484
  260    H3   GAL 101           H3       GAL  34  10.611   3.030  -0.951
  261    H4   GAL 101           H4       GAL  34  11.274   2.633  -3.272
  262    H5   GAL 101           H5       GAL  34  11.642   0.737  -1.809
  263    H61  GAL 101           H61      GAL  34  12.475   0.285  -4.046
  264    H62  GAL 101           H62      GAL  34  14.021   1.084  -3.683
  265    HO2  GAL 101           H2O      GAL  34  12.774   4.458   1.547
  266    HO3  GAL 101           H3O      GAL  34  11.014   5.358  -0.916
  267    HO4  GAL 101           H4O      GAL  34  12.881   4.362  -3.189
  268    HO6  GAL 101           H6O      GAL  34  14.144  -0.479  -1.877
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -12.237  -3.712   3.361
    2    H2   LYS   1           H2       LYS   1 -12.207  -4.708   4.655
    3    H3   LYS   1           H3       LYS   1 -11.668  -5.243   3.206
    4    HA   LYS   1           HA       LYS   1 -10.463  -3.093   4.814
    5    HB2  LYS   1           HB2      LYS   1 -10.104  -5.220   5.900
    6    HB3  LYS   1           HB3      LYS   1  -9.529  -5.955   4.411
    7    HG2  LYS   1           HG2      LYS   1  -7.705  -5.479   5.939
    8    HG3  LYS   1           HG3      LYS   1  -7.507  -4.571   4.447
    9    HD2  LYS   1           HD2      LYS   1  -8.358  -2.518   5.563
   10    HD3  LYS   1           HD3      LYS   1  -8.600  -3.422   7.064
   11    HE2  LYS   1           HE2      LYS   1  -5.919  -3.033   5.649
   12    HE3  LYS   1           HE3      LYS   1  -6.505  -2.036   6.986
   13    HZ1  LYS   1           HZ1      LYS   1  -5.046  -3.771   7.802
   14    HZ2  LYS   1           HZ2      LYS   1  -6.548  -4.035   8.379
   15    HZ3  LYS   1           HZ3      LYS   1  -5.966  -4.952   7.155
   16    H    LEU   2           H        LEU   2  -9.113  -5.294   2.319
   17    HA   LEU   2           HA       LEU   2  -8.371  -2.913   0.687
   18    HB2  LEU   2           HB2      LEU   2  -6.952  -5.540   1.222
   19    HB3  LEU   2           HB3      LEU   2  -6.537  -4.527  -0.164
   20    HG   LEU   2           HG       LEU   2  -6.441  -3.478   2.687
   21   HD11  LEU   2          HD11      LEU   2  -4.864  -5.367   2.430
   22   HD12  LEU   2          HD12      LEU   2  -4.178  -4.597   0.983
   23   HD13  LEU   2          HD13      LEU   2  -4.012  -3.820   2.576
   24   HD21  LEU   2          HD21      LEU   2  -4.994  -1.756   1.707
   25   HD22  LEU   2          HD22      LEU   2  -5.146  -2.507   0.105
   26   HD23  LEU   2          HD23      LEU   2  -6.554  -1.754   0.887
   27    HA   PRO   3           HA       PRO   3 -10.747  -4.623  -2.610
   28    HB2  PRO   3           HB2      PRO   3  -8.782  -3.844  -4.682
   29    HB3  PRO   3           HB3      PRO   3 -10.425  -3.214  -4.383
   30    HG2  PRO   3           HG2      PRO   3  -8.153  -1.762  -3.836
   31    HG3  PRO   3           HG3      PRO   3  -9.659  -1.618  -2.866
   32    HD2  PRO   3           HD2      PRO   3  -7.184  -3.251  -2.279
   33    HD3  PRO   3           HD3      PRO   3  -8.099  -2.161  -1.200
   34    HA   PRO   4           HA       PRO   4  -9.770  -8.643  -3.825
   35    HB2  PRO   4           HB2      PRO   4  -9.931  -7.964  -6.771
   36    HB3  PRO   4           HB3      PRO   4 -10.649  -9.353  -5.890
   37    HG2  PRO   4           HG2      PRO   4 -12.181  -7.209  -6.465
   38    HG3  PRO   4           HG3      PRO   4 -12.257  -7.923  -4.819
   39    HD2  PRO   4           HD2      PRO   4 -10.726  -5.478  -5.743
   40    HD3  PRO   4           HD3      PRO   4 -11.726  -5.700  -4.273
   41    H    GLY   5           H        GLY   5  -7.915  -9.598  -3.510
   42    HA2  GLY   5           HA2      GLY   5  -5.856 -10.533  -3.914
   43    HA3  GLY   5           HA3      GLY   5  -5.742  -9.643  -5.440
   44    H    TRP   6           H        TRP   6  -6.267  -7.190  -3.261
   45    HA   TRP   6           HA       TRP   6  -3.430  -6.499  -3.170
   46    HB2  TRP   6           HB2      TRP   6  -5.910  -5.101  -2.206
   47    HB3  TRP   6           HB3      TRP   6  -4.279  -4.470  -1.948
   48    HD1  TRP   6           HD1      TRP   6  -6.904  -4.939  -4.623
   49    HE1  TRP   6           HE1      TRP   6  -6.310  -3.557  -6.708
   50    HE3  TRP   6           HE3      TRP   6  -2.081  -3.787  -3.420
   51    HZ2  TRP   6           HZ2      TRP   6  -3.907  -2.470  -7.865
   52    HZ3  TRP   6           HZ3      TRP   6  -0.621  -2.636  -5.075
   53    HH2  TRP   6           HH2      TRP   6  -1.515  -1.972  -7.294
   54    H    GLU   7           H        GLU   7  -2.029  -6.513  -1.565
   55    HA   GLU   7           HA       GLU   7  -2.839  -6.831   1.263
   56    HB2  GLU   7           HB2      GLU   7  -1.009  -8.693  -0.302
   57    HB3  GLU   7           HB3      GLU   7  -0.890  -8.529   1.447
   58    HG2  GLU   7           HG2      GLU   7  -3.341  -9.496  -0.076
   59    HG3  GLU   7           HG3      GLU   7  -2.169 -10.499   0.759
   60    H    LYS   8           H        LYS   8  -1.206  -6.230   2.785
   61    HA   LYS   8           HA       LYS   8   0.512  -4.045   1.894
   62    HB2  LYS   8           HB2      LYS   8  -0.126  -5.221   4.603
   63    HB3  LYS   8           HB3      LYS   8   1.242  -4.120   4.389
   64    HG2  LYS   8           HG2      LYS   8  -0.235  -2.416   3.376
   65    HG3  LYS   8           HG3      LYS   8  -1.622  -3.505   3.584
   66    HD2  LYS   8           HD2      LYS   8  -1.681  -1.900   5.365
   67    HD3  LYS   8           HD3      LYS   8  -1.204  -3.450   6.076
   68    HE2  LYS   8           HE2      LYS   8   1.192  -2.712   6.013
   69    HE3  LYS   8           HE3      LYS   8   0.688  -1.178   5.295
   70    HZ1  LYS   8           HZ1      LYS   8  -0.581  -0.721   7.323
   71    HZ2  LYS   8           HZ2      LYS   8  -0.125  -2.147   7.983
   72    HZ3  LYS   8           HZ3      LYS   8   0.986  -0.988   7.698
   73    H    ARG   9           H        ARG   9   2.600  -3.779   1.954
   74    HA   ARG   9           HA       ARG   9   4.503  -6.008   2.511
   75    HB2  ARG   9           HB2      ARG   9   4.504  -4.266   0.015
   76    HB3  ARG   9           HB3      ARG   9   5.764  -5.426   0.443
   77    HG2  ARG   9           HG2      ARG   9   2.898  -6.095  -0.304
   78    HG3  ARG   9           HG3      ARG   9   4.333  -6.257  -1.333
   79    HD2  ARG   9           HD2      ARG   9   5.325  -7.901   0.157
   80    HD3  ARG   9           HD3      ARG   9   3.973  -7.770   1.288
   81    HE   ARG   9           HE       ARG   9   3.973  -9.047  -1.399
   82   HH11  ARG   9          HH11      ARG   9   2.080  -8.379   1.502
   83   HH12  ARG   9          HH12      ARG   9   1.068  -9.778   1.233
   84   HH21  ARG   9          HH21      ARG   9   2.576 -10.726  -1.696
   85   HH22  ARG   9          HH22      ARG   9   1.286 -11.003  -0.561
   86    H    MET  10           H        MET  10   6.791  -5.172   2.531
   87    HA   MET  10           HA       MET  10   7.142  -2.315   2.982
   88    HB2  MET  10           HB2      MET  10   6.298  -3.187   5.199
   89    HB3  MET  10           HB3      MET  10   7.724  -4.228   5.276
   90    HG2  MET  10           HG2      MET  10   9.154  -2.137   5.144
   91    HG3  MET  10           HG3      MET  10   7.669  -1.189   5.165
   92    HE1  MET  10           HE1      MET  10   9.534  -3.495   8.708
   93    HE2  MET  10           HE2      MET  10   8.957  -4.364   7.271
   94    HE3  MET  10           HE3      MET  10  10.294  -3.200   7.129
   95    H    PHE  11           H        PHE  11   9.100  -1.656   2.464
   96    HA   PHE  11           HA       PHE  11  11.136  -3.439   1.431
   97    HB2  PHE  11           HB2      PHE  11  10.980  -0.448   1.814
   98    HB3  PHE  11           HB3      PHE  11  12.377  -1.261   1.104
   99    HD1  PHE  11           HD1      PHE  11  12.010  -2.734  -0.999
  100    HD2  PHE  11           HD2      PHE  11   9.151   0.174   0.409
  101    HE1  PHE  11           HE1      PHE  11  11.004  -2.608  -3.266
  102    HE2  PHE  11           HE2      PHE  11   8.174   0.318  -1.845
  103    HZ   PHE  11           HZ       PHE  11   9.093  -1.072  -3.701
  104    H    ALA  12           H        ALA  12  13.421  -3.397   2.019
  105    HA   ALA  12           HA       ALA  12  13.882  -4.034   4.744
  106    HB1  ALA  12           HB1      ALA  12  16.241  -4.171   4.034
  107    HB2  ALA  12           HB2      ALA  12  15.171  -4.918   2.834
  108    HB3  ALA  12           HB3      ALA  12  15.855  -3.301   2.533
  109    H    ASN  13           H        ASN  13  13.991  -0.904   3.193
  110    HA   ASN  13           HA       ASN  13  15.488   0.423   5.344
  111    HB2  ASN  13           HB2      ASN  13  15.086   2.462   4.035
  112    HB3  ASN  13           HB3      ASN  13  15.752   1.161   3.036
  113   HD21  ASN  13          HD21      ASN  13  14.931   2.587   1.290
  114    H    GLY  14           H        GLY  14  12.356  -0.749   5.281
  115    HA2  GLY  14           HA2      GLY  14  10.749  -0.480   6.944
  116    HA3  GLY  14           HA3      GLY  14  11.491   1.043   7.465
  117    H    THR  15           H        THR  15  10.774   0.717   4.042
  118    HA   THR  15           HA       THR  15   8.611   2.744   4.248
  119    HB   THR  15           HB       THR  15  10.053   1.562   1.850
  120    HG1  THR  15           HG1      THR  15  11.404   2.714   3.059
  121   HG21  THR  15          HG21      THR  15   8.121   3.886   2.055
  122   HG22  THR  15          HG22      THR  15   9.196   3.591   0.668
  123   HG23  THR  15          HG23      THR  15   7.953   2.402   1.075
  124    H    VAL  16           H        VAL  16   6.491   2.212   4.068
  125    HA   VAL  16           HA       VAL  16   5.741  -0.611   3.493
  126    HB   VAL  16           HB       VAL  16   4.288   1.759   4.721
  127   HG11  VAL  16          HG11      VAL  16   2.416   0.233   5.241
  128   HG12  VAL  16          HG12      VAL  16   2.562   0.506   3.510
  129   HG13  VAL  16          HG13      VAL  16   3.147  -1.021   4.212
  130   HG21  VAL  16          HG21      VAL  16   4.259   0.337   6.731
  131   HG22  VAL  16          HG22      VAL  16   5.084  -0.961   5.849
  132   HG23  VAL  16          HG23      VAL  16   5.924   0.573   6.175
  133    H    TYR  17           H        TYR  17   4.354  -1.225   1.898
  134    HA   TYR  17           HA       TYR  17   3.081   0.729   0.108
  135    HB2  TYR  17           HB2      TYR  17   4.059  -0.117  -1.923
  136    HB3  TYR  17           HB3      TYR  17   5.331   0.451  -0.878
  137    HD1  TYR  17           HD1      TYR  17   6.784  -1.225   0.371
  138    HD2  TYR  17           HD2      TYR  17   4.058  -2.384  -2.781
  139    HE1  TYR  17           HE1      TYR  17   8.142  -3.261  -0.067
  140    HE2  TYR  17           HE2      TYR  17   5.423  -4.409  -3.211
  141    HH   TYR  17           HH       TYR  17   8.437  -5.081  -1.409
  142    H    TYR  18           H        TYR  18   1.951  -0.651  -1.706
  143    HA   TYR  18           HA       TYR  18   0.609  -3.020  -0.479
  144    HB2  TYR  18           HB2      TYR  18  -0.590  -0.835  -2.216
  145    HB3  TYR  18           HB3      TYR  18  -1.425  -2.287  -1.645
  146    HD1  TYR  18           HD1      TYR  18  -2.173  -2.510   0.674
  147    HD2  TYR  18           HD2      TYR  18  -0.028   0.994  -0.651
  148    HE1  TYR  18           HE1      TYR  18  -2.811  -1.324   2.767
  149    HE2  TYR  18           HE2      TYR  18  -0.639   2.166   1.465
  150    HH   TYR  18           HH       TYR  18  -2.669   0.608   3.964
  151    H    PHE  19           H        PHE  19   0.239  -4.769  -1.752
  152    HA   PHE  19           HA       PHE  19   1.112  -4.730  -4.603
  153    HB2  PHE  19           HB2      PHE  19   3.060  -5.367  -3.324
  154    HB3  PHE  19           HB3      PHE  19   2.116  -6.594  -2.453
  155    HD1  PHE  19           HD1      PHE  19   3.226  -5.574  -5.846
  156    HD2  PHE  19           HD2      PHE  19   1.898  -8.822  -3.351
  157    HE1  PHE  19           HE1      PHE  19   3.649  -7.132  -7.689
  158    HE2  PHE  19           HE2      PHE  19   2.405 -10.426  -5.184
  159    HZ   PHE  19           HZ       PHE  19   3.273  -9.597  -7.364
  160    H    ASN  20           H        ASN  20  -0.014  -5.991  -5.968
  161    HA   ASN  20           HA       ASN  20  -2.310  -7.488  -4.827
  162    HB2  ASN  20           HB2      ASN  20  -2.619  -5.596  -6.479
  163    HB3  ASN  20           HB3      ASN  20  -1.879  -6.641  -7.704
  164   HD21  ASN  20          HD21      ASN  20  -4.799  -5.615  -6.710
  165   HD22  ASN  20          HD22      ASN  20  -5.756  -7.067  -6.939
  166    H    HIS  21           H        HIS  21  -1.988  -9.635  -4.550
  167    HA   HIS  21           HA       HIS  21   0.183 -11.006  -5.936
  168    HB2  HIS  21           HB2      HIS  21  -0.078 -12.695  -4.444
  169    HB3  HIS  21           HB3      HIS  21  -0.690 -11.337  -3.499
  170    HD2  HIS  21           HD2      HIS  21  -3.441 -11.308  -3.092
  171    HE1  HIS  21           HE1      HIS  21  -4.051 -15.393  -4.138
  172    HE2  HIS  21           HE2      HIS  21  -5.089 -13.357  -3.014
  173    H    ILE  22           H        ILE  22  -3.114 -10.517  -6.730
  174    HA   ILE  22           HA       ILE  22  -3.436 -12.907  -8.419
  175    HB   ILE  22           HB       ILE  22  -5.160 -10.429  -8.018
  176   HG12  ILE  22          HG12      ILE  22  -4.849 -11.773  -5.914
  177   HG13  ILE  22          HG13      ILE  22  -6.507 -11.637  -6.464
  178   HG21  ILE  22          HG21      ILE  22  -5.787 -13.035  -9.431
  179   HG22  ILE  22          HG22      ILE  22  -7.007 -11.839  -8.933
  180   HG23  ILE  22          HG23      ILE  22  -5.768 -11.395 -10.108
  181   HD11  ILE  22          HD11      ILE  22  -6.429 -13.947  -7.346
  182   HD12  ILE  22          HD12      ILE  22  -4.723 -14.078  -6.840
  183   HD13  ILE  22          HD13      ILE  22  -6.010 -13.873  -5.632
  184    H    THR  23           H        THR  23  -2.912  -9.418  -8.798
  185    HA   THR  23           HA       THR  23  -2.689  -9.700 -11.747
  186    HB   THR  23           HB       THR  23  -3.420  -7.508 -11.997
  187    HG1  THR  23           HG1      THR  23  -3.860  -6.449  -9.796
  188   HG21  THR  23          HG21      THR  23  -5.254  -9.051 -11.227
  189   HG22  THR  23          HG22      THR  23  -5.014  -8.442  -9.572
  190   HG23  THR  23          HG23      THR  23  -5.531  -7.339 -10.863
  191    H    ASN  24           H        ASN  24  -0.591  -9.257  -9.179
  192    HA   ASN  24           HA       ASN  24   1.500  -8.620  -8.887
  193    HB2  ASN  24           HB2      ASN  24   1.834  -8.822 -11.895
  194    HB3  ASN  24           HB3      ASN  24   3.139  -8.721 -10.705
  195   HD21  ASN  24          HD21      ASN  24   1.439 -10.908 -12.544
  196   HD22  ASN  24          HD22      ASN  24   1.745 -12.333 -11.546
  197    H    ALA  25           H        ALA  25  -0.674  -6.495  -9.660
  198    HA   ALA  25           HA       ALA  25   0.886  -4.150 -10.332
  199    HB1  ALA  25           HB1      ALA  25  -1.806  -4.417  -8.930
  200    HB2  ALA  25           HB2      ALA  25  -1.142  -2.941  -9.658
  201    HB3  ALA  25           HB3      ALA  25  -1.554  -4.323 -10.689
  202    H    SER  26           H        SER  26   1.406  -2.362  -8.924
  203    HA   SER  26           HA       SER  26   1.530  -2.865  -6.014
  204    HB2  SER  26           HB2      SER  26   3.867  -2.028  -5.897
  205    HB3  SER  26           HB3      SER  26   3.694  -3.617  -6.623
  206    HG   SER  26           HG       SER  26   3.991  -1.160  -8.043
  207    H    GLN  27           H        GLN  27   1.525  -1.011  -4.721
  208    HA   GLN  27           HA       GLN  27   1.656   1.671  -5.974
  209    HB2  GLN  27           HB2      GLN  27  -0.778   0.600  -4.485
  210    HB3  GLN  27           HB3      GLN  27  -0.394   2.322  -4.628
  211    HG2  GLN  27           HG2      GLN  27  -0.449   2.169  -7.072
  212    HG3  GLN  27           HG3      GLN  27  -0.950   0.470  -6.956
  213   HE21  GLN  27          HE21      GLN  27  -3.891   2.784  -5.335
  214   HE22  GLN  27          HE22      GLN  27  -2.397   2.477  -4.444
  215    H    PHE  28           H        PHE  28   2.410   3.260  -4.692
  216    HA   PHE  28           HA       PHE  28   3.244   2.643  -1.953
  217    HB2  PHE  28           HB2      PHE  28   3.641   5.030  -3.737
  218    HB3  PHE  28           HB3      PHE  28   4.014   5.076  -2.012
  219    HD1  PHE  28           HD1      PHE  28   5.824   3.750  -1.022
  220    HD2  PHE  28           HD2      PHE  28   5.044   3.680  -5.266
  221    HE1  PHE  28           HE1      PHE  28   8.073   2.773  -1.426
  222    HE2  PHE  28           HE2      PHE  28   7.285   2.681  -5.660
  223    HZ   PHE  28           HZ       PHE  28   8.805   2.233  -3.741
  224    H    GLU  29           H        GLU  29   0.441   3.926  -3.342
  225    HA   GLU  29           HA       GLU  29  -0.546   4.984  -0.736
  226    HB2  GLU  29           HB2      GLU  29  -0.524   6.745  -2.323
  227    HB3  GLU  29           HB3      GLU  29  -1.157   5.718  -3.597
  228    HG2  GLU  29           HG2      GLU  29  -2.805   7.319  -2.942
  229    HG3  GLU  29           HG3      GLU  29  -3.367   5.694  -2.597
  230    H    ARG  30           H        ARG  30  -2.585   4.424  -0.022
  231    HA   ARG  30           HA       ARG  30  -3.195   1.695  -0.169
  232    HB2  ARG  30           HB2      ARG  30  -3.615   3.018   1.751
  233    HB3  ARG  30           HB3      ARG  30  -4.772   4.044   0.917
  234    HG2  ARG  30           HG2      ARG  30  -5.309   1.072   1.053
  235    HG3  ARG  30           HG3      ARG  30  -5.507   2.031   2.526
  236    HD2  ARG  30           HD2      ARG  30  -7.384   3.079   1.813
  237    HD3  ARG  30           HD3      ARG  30  -6.789   3.277   0.172
  238    HE   ARG  30           HE       ARG  30  -7.776   1.323  -0.500
  239   HH11  ARG  30          HH11      ARG  30  -7.838   1.171   3.025
  240   HH12  ARG  30          HH12      ARG  30  -8.866  -0.252   2.967
  241   HH21  ARG  30          HH21      ARG  30  -9.188  -0.297  -0.418
  242   HH22  ARG  30          HH22      ARG  30  -9.619  -1.013   1.138
  243    HA   PRO  31           HA       PRO  31  -5.264   1.657  -4.079
  244    HB2  PRO  31           HB2      PRO  31  -5.759  -1.010  -4.380
  245    HB3  PRO  31           HB3      PRO  31  -4.101  -0.326  -4.368
  246    HG2  PRO  31           HG2      PRO  31  -5.621  -1.538  -2.034
  247    HG3  PRO  31           HG3      PRO  31  -3.965  -1.946  -2.593
  248    HD2  PRO  31           HD2      PRO  31  -4.354  -0.215  -0.570
  249    HD3  PRO  31           HD3      PRO  31  -3.087   0.082  -1.799
  250    H    SER  32           H        SER  32  -7.231   1.523  -5.119
  251    HA   SER  32           HA       SER  32  -9.662   0.975  -3.442
  252    HB2  SER  32           HB2      SER  32  -9.237   3.084  -5.582
  253    HB3  SER  32           HB3      SER  32 -10.793   2.705  -4.823
  254    HG   SER  32           HG       SER  32  -8.446   3.591  -3.490
  255    H    GLY  33           H        GLY  33  -8.005  -0.266  -6.079
  256    HA2  GLY  33           HA2      GLY  33  -9.838  -2.260  -6.750
  257    HA3  GLY  33           HA3      GLY  33 -10.169  -0.947  -7.881
  258    H1   GAL 101           H1       GAL  34  12.096   1.883   0.668
  259    H2   GAL 101           H2       GAL  34  13.768   4.156  -0.533
  260    H3   GAL 101           H3       GAL  34  10.876   3.273  -1.017
  261    H4   GAL 101           H4       GAL  34  11.606   2.560  -3.232
  262    H5   GAL 101           H5       GAL  34  11.832   0.829  -1.548
  263    H61  GAL 101           H61      GAL  34  12.733   0.036  -3.641
  264    H62  GAL 101           H62      GAL  34  14.268   0.896  -3.384
  265    HO2  GAL 101           H2O      GAL  34  11.661   4.150   1.410
  266    HO3  GAL 101           H3O      GAL  34  11.441   5.577  -1.243
  267    HO4  GAL 101           H4O      GAL  34  13.288   4.220  -3.283
  268    HO6  GAL 101           H6O      GAL  34  14.355  -0.382  -1.352
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1 -10.956  -5.209   3.666
    2    H2   LYS   1           H2       LYS   1 -12.030  -3.989   3.455
    3    H3   LYS   1           H3       LYS   1 -11.573  -4.424   4.960
    4    HA   LYS   1           HA       LYS   1 -10.534  -2.383   4.372
    5    HB2  LYS   1           HB2      LYS   1  -8.179  -2.922   4.772
    6    HB3  LYS   1           HB3      LYS   1  -9.279  -3.669   5.918
    7    HG2  LYS   1           HG2      LYS   1  -8.986  -5.864   4.899
    8    HG3  LYS   1           HG3      LYS   1  -8.038  -5.176   3.573
    9    HD2  LYS   1           HD2      LYS   1  -6.316  -4.411   5.208
   10    HD3  LYS   1           HD3      LYS   1  -7.215  -5.250   6.497
   11    HE2  LYS   1           HE2      LYS   1  -6.978  -7.393   5.279
   12    HE3  LYS   1           HE3      LYS   1  -6.181  -6.561   3.938
   13    HZ1  LYS   1           HZ1      LYS   1  -4.544  -7.573   5.314
   14    HZ2  LYS   1           HZ2      LYS   1  -4.377  -5.970   5.477
   15    HZ3  LYS   1           HZ3      LYS   1  -5.089  -6.833   6.682
   16    H    LEU   2           H        LEU   2  -9.373  -4.888   2.041
   17    HA   LEU   2           HA       LEU   2  -8.673  -2.690   0.157
   18    HB2  LEU   2           HB2      LEU   2  -7.178  -5.259   0.790
   19    HB3  LEU   2           HB3      LEU   2  -6.723  -4.107  -0.472
   20    HG   LEU   2           HG       LEU   2  -6.789  -3.364   2.479
   21   HD11  LEU   2          HD11      LEU   2  -5.147  -5.152   2.073
   22   HD12  LEU   2          HD12      LEU   2  -4.454  -4.218   0.727
   23   HD13  LEU   2          HD13      LEU   2  -4.342  -3.605   2.394
   24   HD21  LEU   2          HD21      LEU   2  -6.908  -1.464   0.831
   25   HD22  LEU   2          HD22      LEU   2  -5.411  -1.483   1.768
   26   HD23  LEU   2          HD23      LEU   2  -5.405  -2.075   0.097
   27    HA   PRO   3           HA       PRO   3 -10.898  -4.937  -2.942
   28    HB2  PRO   3           HB2      PRO   3  -8.893  -4.326  -5.040
   29    HB3  PRO   3           HB3      PRO   3 -10.579  -3.759  -4.884
   30    HG2  PRO   3           HG2      PRO   3  -8.428  -2.109  -4.459
   31    HG3  PRO   3           HG3      PRO   3  -9.958  -1.947  -3.532
   32    HD2  PRO   3           HD2      PRO   3  -7.414  -3.386  -2.738
   33    HD3  PRO   3           HD3      PRO   3  -8.370  -2.207  -1.800
   34    HA   PRO   4           HA       PRO   4  -9.576  -9.028  -3.669
   35    HB2  PRO   4           HB2      PRO   4  -9.808  -8.695  -6.668
   36    HB3  PRO   4           HB3      PRO   4 -10.417 -10.024  -5.626
   37    HG2  PRO   4           HG2      PRO   4 -12.110  -8.083  -6.438
   38    HG3  PRO   4           HG3      PRO   4 -12.138  -8.612  -4.721
   39    HD2  PRO   4           HD2      PRO   4 -10.788  -6.177  -5.919
   40    HD3  PRO   4           HD3      PRO   4 -11.789  -6.304  -4.437
   41    H    GLY   5           H        GLY   5  -7.661  -9.926  -3.431
   42    HA2  GLY   5           HA2      GLY   5  -5.536 -10.707  -3.911
   43    HA3  GLY   5           HA3      GLY   5  -5.489  -9.701  -5.373
   44    H    TRP   6           H        TRP   6  -6.221  -7.388  -3.214
   45    HA   TRP   6           HA       TRP   6  -3.441  -6.527  -3.004
   46    HB2  TRP   6           HB2      TRP   6  -6.048  -5.245  -2.223
   47    HB3  TRP   6           HB3      TRP   6  -4.470  -4.512  -1.922
   48    HD1  TRP   6           HD1      TRP   6  -6.915  -5.265  -4.711
   49    HE1  TRP   6           HE1      TRP   6  -6.287  -3.938  -6.822
   50    HE3  TRP   6           HE3      TRP   6  -2.290  -3.654  -3.259
   51    HZ2  TRP   6           HZ2      TRP   6  -3.892  -2.753  -7.893
   52    HZ3  TRP   6           HZ3      TRP   6  -0.811  -2.476  -4.885
   53    HH2  TRP   6           HH2      TRP   6  -1.595  -2.020  -7.195
   54    H    GLU   7           H        GLU   7  -2.155  -6.269  -1.315
   55    HA   GLU   7           HA       GLU   7  -3.137  -6.304   1.445
   56    HB2  GLU   7           HB2      GLU   7  -1.550  -8.531   0.257
   57    HB3  GLU   7           HB3      GLU   7  -0.843  -7.865   1.711
   58    HG2  GLU   7           HG2      GLU   7  -3.660  -8.970   1.482
   59    HG3  GLU   7           HG3      GLU   7  -2.270  -9.780   2.192
   60    H    LYS   8           H        LYS   8  -1.444  -5.650   2.990
   61    HA   LYS   8           HA       LYS   8   0.351  -3.555   1.879
   62    HB2  LYS   8           HB2      LYS   8  -0.391  -4.377   4.697
   63    HB3  LYS   8           HB3      LYS   8   0.994  -3.318   4.370
   64    HG2  LYS   8           HG2      LYS   8  -0.381  -1.674   3.264
   65    HG3  LYS   8           HG3      LYS   8  -1.776  -2.765   3.285
   66    HD2  LYS   8           HD2      LYS   8  -2.135  -1.135   4.997
   67    HD3  LYS   8           HD3      LYS   8  -1.755  -2.660   5.808
   68    HE2  LYS   8           HE2      LYS   8   0.626  -1.868   6.083
   69    HE3  LYS   8           HE3      LYS   8   0.182  -0.354   5.289
   70    HZ1  LYS   8           HZ1      LYS   8  -1.385   0.066   7.107
   71    HZ2  LYS   8           HZ2      LYS   8  -0.983  -1.340   7.839
   72    HZ3  LYS   8           HZ3      LYS   8   0.118  -0.142   7.705
   73    H    ARG   9           H        ARG   9   2.514  -3.549   1.934
   74    HA   ARG   9           HA       ARG   9   4.032  -5.914   2.924
   75    HB2  ARG   9           HB2      ARG   9   3.380  -6.457   0.615
   76    HB3  ARG   9           HB3      ARG   9   4.116  -4.967   0.024
   77    HG2  ARG   9           HG2      ARG   9   6.333  -5.741   0.560
   78    HG3  ARG   9           HG3      ARG   9   5.706  -7.128   1.477
   79    HD2  ARG   9           HD2      ARG   9   5.191  -6.717  -1.495
   80    HD3  ARG   9           HD3      ARG   9   6.590  -7.611  -0.879
   81    HE   ARG   9           HE       ARG   9   3.769  -8.462  -0.904
   82   HH11  ARG   9          HH11      ARG   9   6.945  -9.226   0.386
   83   HH12  ARG   9          HH12      ARG   9   6.506 -10.886   0.696
   84   HH21  ARG   9          HH21      ARG   9   3.285 -10.575  -0.454
   85   HH22  ARG   9          HH22      ARG   9   4.499 -11.617   0.235
   86    H    MET  10           H        MET  10   6.211  -5.556   3.310
   87    HA   MET  10           HA       MET  10   7.026  -2.699   3.491
   88    HB2  MET  10           HB2      MET  10   6.695  -3.753   5.620
   89    HB3  MET  10           HB3      MET  10   7.805  -5.065   5.206
   90    HG2  MET  10           HG2      MET  10   9.682  -3.576   5.151
   91    HG3  MET  10           HG3      MET  10   8.654  -2.147   5.295
   92    HE1  MET  10           HE1      MET  10   6.653  -2.646   7.657
   93    HE2  MET  10           HE2      MET  10   7.633  -2.067   9.016
   94    HE3  MET  10           HE3      MET  10   7.684  -1.208   7.462
   95    H    PHE  11           H        PHE  11   8.810  -1.937   2.589
   96    HA   PHE  11           HA       PHE  11  10.507  -3.544   0.855
   97    HB2  PHE  11           HB2      PHE  11  10.430  -0.640   1.634
   98    HB3  PHE  11           HB3      PHE  11  11.766  -1.303   0.689
   99    HD1  PHE  11           HD1      PHE  11   8.690   0.346   0.449
  100    HD2  PHE  11           HD2      PHE  11  11.053  -2.703  -1.478
  101    HE1  PHE  11           HE1      PHE  11   7.510   0.781  -1.682
  102    HE2  PHE  11           HE2      PHE  11   9.859  -2.271  -3.615
  103    HZ   PHE  11           HZ       PHE  11   8.092  -0.520  -3.724
  104    H    ALA  12           H        ALA  12  12.900  -3.538   0.948
  105    HA   ALA  12           HA       ALA  12  13.900  -4.573   3.389
  106    HB1  ALA  12           HB1      ALA  12  16.076  -4.490   2.229
  107    HB2  ALA  12           HB2      ALA  12  14.800  -5.080   1.148
  108    HB3  ALA  12           HB3      ALA  12  15.392  -3.408   0.997
  109    H    ASN  13           H        ASN  13  13.661  -1.242   2.395
  110    HA   ASN  13           HA       ASN  13  15.530  -0.194   4.413
  111    HB2  ASN  13           HB2      ASN  13  14.826   2.010   3.503
  112    HB3  ASN  13           HB3      ASN  13  15.420   0.895   2.262
  113   HD21  ASN  13          HD21      ASN  13  14.318   2.401   0.811
  114    H    GLY  14           H        GLY  14  12.380  -1.367   4.667
  115    HA2  GLY  14           HA2      GLY  14  11.085  -1.374   6.605
  116    HA3  GLY  14           HA3      GLY  14  11.923   0.058   7.219
  117    H    THR  15           H        THR  15  10.746   0.427   3.964
  118    HA   THR  15           HA       THR  15   8.583   2.266   4.874
  119    HB   THR  15           HB       THR  15   9.910   1.663   2.199
  120    HG1  THR  15           HG1      THR  15  10.693   3.694   2.441
  121   HG21  THR  15          HG21      THR  15   8.668   3.627   1.289
  122   HG22  THR  15          HG22      THR  15   7.642   2.226   1.584
  123   HG23  THR  15          HG23      THR  15   7.624   3.594   2.727
  124    H    VAL  16           H        VAL  16   6.415   1.841   4.593
  125    HA   VAL  16           HA       VAL  16   5.616  -0.829   3.547
  126    HB   VAL  16           HB       VAL  16   4.007   1.209   5.117
  127   HG11  VAL  16          HG11      VAL  16   2.420  -0.686   5.449
  128   HG12  VAL  16          HG12      VAL  16   2.472  -0.139   3.776
  129   HG13  VAL  16          HG13      VAL  16   3.317  -1.635   4.249
  130   HG21  VAL  16          HG21      VAL  16   5.239  -1.448   5.956
  131   HG22  VAL  16          HG22      VAL  16   5.739   0.166   6.520
  132   HG23  VAL  16          HG23      VAL  16   4.137  -0.465   6.943
  133    H    TYR  17           H        TYR  17   4.249  -1.143   1.897
  134    HA   TYR  17           HA       TYR  17   2.953   1.077   0.429
  135    HB2  TYR  17           HB2      TYR  17   3.982   0.508  -1.652
  136    HB3  TYR  17           HB3      TYR  17   5.276   0.772  -0.519
  137    HD1  TYR  17           HD1      TYR  17   6.420  -1.315   0.540
  138    HD2  TYR  17           HD2      TYR  17   3.853  -1.491  -2.925
  139    HE1  TYR  17           HE1      TYR  17   7.481  -3.461  -0.146
  140    HE2  TYR  17           HE2      TYR  17   4.888  -3.651  -3.584
  141    HH   TYR  17           HH       TYR  17   6.594  -5.115  -3.182
  142    H    TYR  18           H        TYR  18   1.777  -0.145  -1.532
  143    HA   TYR  18           HA       TYR  18   0.328  -2.496  -0.396
  144    HB2  TYR  18           HB2      TYR  18  -0.630  -0.322  -2.280
  145    HB3  TYR  18           HB3      TYR  18  -1.560  -1.744  -1.785
  146    HD1  TYR  18           HD1      TYR  18  -2.415  -1.989   0.521
  147    HD2  TYR  18           HD2      TYR  18  -0.250   1.530  -0.727
  148    HE1  TYR  18           HE1      TYR  18  -3.197  -0.785   2.553
  149    HE2  TYR  18           HE2      TYR  18  -1.031   2.732   1.317
  150    HH   TYR  18           HH       TYR  18  -3.223   1.195   3.687
  151    H    PHE  19           H        PHE  19   0.051  -4.325  -1.563
  152    HA   PHE  19           HA       PHE  19   1.075  -4.447  -4.356
  153    HB2  PHE  19           HB2      PHE  19   2.969  -4.931  -2.944
  154    HB3  PHE  19           HB3      PHE  19   2.046  -6.132  -2.034
  155    HD1  PHE  19           HD1      PHE  19   3.242  -5.262  -5.434
  156    HD2  PHE  19           HD2      PHE  19   1.968  -8.458  -2.831
  157    HE1  PHE  19           HE1      PHE  19   3.861  -6.887  -7.160
  158    HE2  PHE  19           HE2      PHE  19   2.679 -10.113  -4.537
  159    HZ   PHE  19           HZ       PHE  19   3.617  -9.349  -6.711
  160    H    ASN  20           H        ASN  20   0.053  -5.796  -5.710
  161    HA   ASN  20           HA       ASN  20  -2.193  -7.417  -4.622
  162    HB2  ASN  20           HB2      ASN  20  -2.587  -5.641  -6.369
  163    HB3  ASN  20           HB3      ASN  20  -1.668  -6.639  -7.506
  164   HD21  ASN  20          HD21      ASN  20  -4.745  -5.902  -6.670
  165   HD22  ASN  20          HD22      ASN  20  -5.532  -7.436  -6.982
  166    H    HIS  21           H        HIS  21  -1.822  -9.532  -4.325
  167    HA   HIS  21           HA       HIS  21   0.561 -10.801  -5.406
  168    HB2  HIS  21           HB2      HIS  21   0.186 -12.458  -3.906
  169    HB3  HIS  21           HB3      HIS  21  -0.661 -11.136  -3.106
  170    HD2  HIS  21           HD2      HIS  21  -3.283 -11.438  -2.715
  171    HE1  HIS  21           HE1      HIS  21  -3.702 -15.327  -4.408
  172    HE2  HIS  21           HE2      HIS  21  -4.859 -13.525  -3.031
  173    H    ILE  22           H        ILE  22  -2.710 -10.596  -6.552
  174    HA   ILE  22           HA       ILE  22  -2.629 -13.021  -8.204
  175    HB   ILE  22           HB       ILE  22  -4.636 -10.718  -8.104
  176   HG12  ILE  22          HG12      ILE  22  -4.577 -13.378  -6.592
  177   HG13  ILE  22          HG13      ILE  22  -4.461 -11.757  -5.895
  178   HG21  ILE  22          HG21      ILE  22  -4.772 -12.059 -10.184
  179   HG22  ILE  22          HG22      ILE  22  -4.912 -13.544  -9.217
  180   HG23  ILE  22          HG23      ILE  22  -6.185 -12.301  -9.180
  181   HD11  ILE  22          HD11      ILE  22  -6.921 -13.021  -7.137
  182   HD12  ILE  22          HD12      ILE  22  -6.653 -12.533  -5.458
  183   HD13  ILE  22          HD13      ILE  22  -6.799 -11.292  -6.720
  184    H    THR  23           H        THR  23  -2.402  -9.509  -8.645
  185    HA   THR  23           HA       THR  23  -1.935  -9.826 -11.558
  186    HB   THR  23           HB       THR  23  -2.792  -7.688 -11.895
  187    HG1  THR  23           HG1      THR  23  -3.464  -6.640  -9.753
  188   HG21  THR  23          HG21      THR  23  -4.558  -9.364 -11.225
  189   HG22  THR  23          HG22      THR  23  -4.489  -8.704  -9.575
  190   HG23  THR  23          HG23      THR  23  -4.989  -7.670 -10.927
  191    H    ASN  24           H        ASN  24  -0.061  -9.202  -8.859
  192    HA   ASN  24           HA       ASN  24   1.955  -8.406  -8.432
  193    HB2  ASN  24           HB2      ASN  24   2.523  -8.653 -11.402
  194    HB3  ASN  24           HB3      ASN  24   3.725  -8.450 -10.121
  195   HD21  ASN  24          HD21      ASN  24   2.265 -10.769 -12.023
  196   HD22  ASN  24          HD22      ASN  24   2.596 -12.156 -10.980
  197    H    ALA  25           H        ALA  25  -0.296  -6.463  -9.439
  198    HA   ALA  25           HA       ALA  25   1.126  -4.039 -10.107
  199    HB1  ALA  25           HB1      ALA  25  -1.609  -4.456  -8.826
  200    HB2  ALA  25           HB2      ALA  25  -1.012  -2.954  -9.564
  201    HB3  ALA  25           HB3      ALA  25  -1.274  -4.387 -10.573
  202    H    SER  26           H        SER  26   1.569  -2.215  -8.761
  203    HA   SER  26           HA       SER  26   1.542  -2.591  -5.833
  204    HB2  SER  26           HB2      SER  26   3.859  -1.891  -5.576
  205    HB3  SER  26           HB3      SER  26   3.727  -3.411  -6.468
  206    HG   SER  26           HG       SER  26   5.212  -1.999  -7.450
  207    H    GLN  27           H        GLN  27   1.554  -0.661  -4.618
  208    HA   GLN  27           HA       GLN  27   1.708   1.962  -5.979
  209    HB2  GLN  27           HB2      GLN  27  -0.794   0.964  -4.552
  210    HB3  GLN  27           HB3      GLN  27  -0.414   2.675  -4.821
  211    HG2  GLN  27           HG2      GLN  27  -0.420   2.384  -7.211
  212    HG3  GLN  27           HG3      GLN  27  -0.840   0.662  -7.031
  213   HE21  GLN  27          HE21      GLN  27  -2.464   2.680  -4.666
  214   HE22  GLN  27          HE22      GLN  27  -3.959   2.846  -5.588
  215    H    PHE  28           H        PHE  28   2.194   3.680  -4.689
  216    HA   PHE  28           HA       PHE  28   2.920   3.179  -1.885
  217    HB2  PHE  28           HB2      PHE  28   3.395   5.494  -3.742
  218    HB3  PHE  28           HB3      PHE  28   3.654   5.619  -2.000
  219    HD1  PHE  28           HD1      PHE  28   4.927   4.144  -5.121
  220    HD2  PHE  28           HD2      PHE  28   5.388   4.311  -0.834
  221    HE1  PHE  28           HE1      PHE  28   7.188   3.135  -5.323
  222    HE2  PHE  28           HE2      PHE  28   7.653   3.316  -1.043
  223    HZ   PHE  28           HZ       PHE  28   8.552   2.722  -3.287
  224    H    GLU  29           H        GLU  29   0.191   4.333  -3.497
  225    HA   GLU  29           HA       GLU  29  -1.042   5.391  -0.979
  226    HB2  GLU  29           HB2      GLU  29  -0.876   7.053  -2.772
  227    HB3  GLU  29           HB3      GLU  29  -1.706   5.961  -3.895
  228    HG2  GLU  29           HG2      GLU  29  -3.760   6.093  -2.582
  229    HG3  GLU  29           HG3      GLU  29  -2.937   7.015  -1.317
  230    H    ARG  30           H        ARG  30  -3.263   4.619  -0.535
  231    HA   ARG  30           HA       ARG  30  -3.351   1.833  -0.862
  232    HB2  ARG  30           HB2      ARG  30  -5.375   1.772   0.320
  233    HB3  ARG  30           HB3      ARG  30  -4.386   3.017   1.036
  234    HG2  ARG  30           HG2      ARG  30  -5.836   4.697   0.529
  235    HG3  ARG  30           HG3      ARG  30  -6.318   4.025  -1.034
  236    HD2  ARG  30           HD2      ARG  30  -7.233   2.996   1.664
  237    HD3  ARG  30           HD3      ARG  30  -8.175   4.034   0.586
  238    HE   ARG  30           HE       ARG  30  -7.748   1.993  -1.112
  239   HH11  ARG  30          HH11      ARG  30  -8.625   1.653   2.296
  240   HH12  ARG  30          HH12      ARG  30  -9.343   0.082   1.984
  241   HH21  ARG  30          HH21      ARG  30  -8.811   0.174  -1.385
  242   HH22  ARG  30          HH22      ARG  30  -9.597  -0.638  -0.027
  243    HA   PRO  31           HA       PRO  31  -5.254   1.114  -4.768
  244    HB2  PRO  31           HB2      PRO  31  -6.164  -1.440  -4.475
  245    HB3  PRO  31           HB3      PRO  31  -4.417  -1.020  -4.535
  246    HG2  PRO  31           HG2      PRO  31  -6.163  -1.447  -2.083
  247    HG3  PRO  31           HG3      PRO  31  -4.567  -2.191  -2.434
  248    HD2  PRO  31           HD2      PRO  31  -4.779  -0.007  -0.870
  249    HD3  PRO  31           HD3      PRO  31  -3.436  -0.169  -2.047
  250    H    SER  32           H        SER  32  -7.201   0.796  -5.902
  251    HA   SER  32           HA       SER  32  -9.763   0.899  -4.360
  252    HB2  SER  32           HB2      SER  32 -10.587   2.551  -5.968
  253    HB3  SER  32           HB3      SER  32  -9.153   3.136  -5.107
  254    HG   SER  32           HG       SER  32  -9.033   3.531  -7.362
  255    H    GLY  33           H        GLY  33  -8.068  -0.799  -6.773
  256    HA2  GLY  33           HA2      GLY  33  -9.972  -2.775  -7.214
  257    HA3  GLY  33           HA3      GLY  33 -10.248  -1.606  -8.507
  258    H1   GAL 101           H1       GAL  34  11.441   1.659   0.480
  259    H2   GAL 101           H2       GAL  34  12.971   4.134  -0.477
  260    H3   GAL 101           H3       GAL  34  10.102   3.335  -1.164
  261    H4   GAL 101           H4       GAL  34  10.891   2.928  -3.468
  262    H5   GAL 101           H5       GAL  34  10.901   1.037  -1.873
  263    H61  GAL 101           H61      GAL  34  12.479  -0.502  -2.948
  264    H62  GAL 101           H62      GAL  34  11.612   0.473  -4.151
  265    HO2  GAL 101           H2O      GAL  34  11.194   5.178   0.599
  266    HO3  GAL 101           H3O      GAL  34  11.708   5.279  -2.453
  267    HO4  GAL 101           H4O      GAL  34  13.376   2.752  -3.481
  268    HO6  GAL 101           H6O      GAL  34  13.943   0.310  -4.488
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -11.996  -5.985   3.326
    2    H2   LYS   1           H2       LYS   1 -12.038  -4.519   4.046
    3    H3   LYS   1           H3       LYS   1 -11.741  -5.858   4.941
    4    HA   LYS   1           HA       LYS   1  -9.720  -4.623   4.607
    5    HB2  LYS   1           HB2      LYS   1  -8.303  -6.423   3.813
    6    HB3  LYS   1           HB3      LYS   1  -9.546  -7.058   4.856
    7    HG2  LYS   1           HG2      LYS   1 -10.715  -8.110   3.105
    8    HG3  LYS   1           HG3      LYS   1  -9.957  -7.151   1.846
    9    HD2  LYS   1           HD2      LYS   1  -8.465  -9.161   3.574
   10    HD3  LYS   1           HD3      LYS   1  -9.169  -9.555   2.013
   11    HE2  LYS   1           HE2      LYS   1  -7.029  -7.409   2.409
   12    HE3  LYS   1           HE3      LYS   1  -6.686  -9.086   2.002
   13    HZ1  LYS   1           HZ1      LYS   1  -8.319  -7.272   0.298
   14    HZ2  LYS   1           HZ2      LYS   1  -6.750  -7.687   0.033
   15    HZ3  LYS   1           HZ3      LYS   1  -7.926  -8.822  -0.045
   16    H    LEU   2           H        LEU   2  -7.893  -4.905   2.614
   17    HA   LEU   2           HA       LEU   2  -8.396  -2.923   0.643
   18    HB2  LEU   2           HB2      LEU   2  -6.430  -5.236   0.867
   19    HB3  LEU   2           HB3      LEU   2  -6.307  -4.012  -0.401
   20    HG   LEU   2           HG       LEU   2  -6.296  -3.204   2.526
   21   HD11  LEU   2          HD11      LEU   2  -4.517  -4.856   2.226
   22   HD12  LEU   2          HD12      LEU   2  -3.936  -3.997   0.777
   23   HD13  LEU   2          HD13      LEU   2  -3.836  -3.228   2.382
   24   HD21  LEU   2          HD21      LEU   2  -5.089  -1.961   0.025
   25   HD22  LEU   2          HD22      LEU   2  -6.635  -1.452   0.744
   26   HD23  LEU   2          HD23      LEU   2  -5.128  -1.247   1.651
   27    HA   PRO   3           HA       PRO   3 -10.657  -4.900  -2.524
   28    HB2  PRO   3           HB2      PRO   3  -8.848  -4.038  -4.721
   29    HB3  PRO   3           HB3      PRO   3 -10.546  -3.589  -4.397
   30    HG2  PRO   3           HG2      PRO   3  -8.453  -1.867  -3.982
   31    HG3  PRO   3           HG3      PRO   3  -9.924  -1.862  -2.945
   32    HD2  PRO   3           HD2      PRO   3  -7.240  -3.148  -2.436
   33    HD3  PRO   3           HD3      PRO   3  -8.247  -2.183  -1.321
   34    HA   PRO   4           HA       PRO   4  -9.602  -8.884  -3.753
   35    HB2  PRO   4           HB2      PRO   4  -9.869  -8.248  -6.702
   36    HB3  PRO   4           HB3      PRO   4 -10.502  -9.659  -5.789
   37    HG2  PRO   4           HG2      PRO   4 -12.143  -7.587  -6.328
   38    HG3  PRO   4           HG3      PRO   4 -12.130  -8.285  -4.672
   39    HD2  PRO   4           HD2      PRO   4 -10.741  -5.789  -5.677
   40    HD3  PRO   4           HD3      PRO   4 -11.672  -6.037  -4.167
   41    H    GLY   5           H        GLY   5  -7.715  -9.774  -3.472
   42    HA2  GLY   5           HA2      GLY   5  -5.600 -10.581  -3.839
   43    HA3  GLY   5           HA3      GLY   5  -5.537  -9.733  -5.391
   44    H    TRP   6           H        TRP   6  -6.208  -7.190  -3.426
   45    HA   TRP   6           HA       TRP   6  -3.406  -6.396  -3.164
   46    HB2  TRP   6           HB2      TRP   6  -5.974  -5.029  -2.391
   47    HB3  TRP   6           HB3      TRP   6  -4.372  -4.361  -2.080
   48    HD1  TRP   6           HD1      TRP   6  -6.874  -4.896  -4.850
   49    HE1  TRP   6           HE1      TRP   6  -6.213  -3.505  -6.902
   50    HE3  TRP   6           HE3      TRP   6  -2.138  -3.607  -3.431
   51    HZ2  TRP   6           HZ2      TRP   6  -3.818  -2.240  -7.921
   52    HZ3  TRP   6           HZ3      TRP   6  -0.661  -2.345  -4.995
   53    HH2  TRP   6           HH2      TRP   6  -1.486  -1.662  -7.228
   54    H    GLU   7           H        GLU   7  -2.139  -6.344  -1.465
   55    HA   GLU   7           HA       GLU   7  -3.138  -6.557   1.312
   56    HB2  GLU   7           HB2      GLU   7  -1.078  -8.419   0.049
   57    HB3  GLU   7           HB3      GLU   7  -1.296  -8.195   1.795
   58    HG2  GLU   7           HG2      GLU   7  -3.708  -8.897   1.505
   59    HG3  GLU   7           HG3      GLU   7  -3.322  -9.333  -0.167
   60    H    LYS   8           H        LYS   8  -1.491  -5.869   2.899
   61    HA   LYS   8           HA       LYS   8   0.299  -3.762   1.910
   62    HB2  LYS   8           HB2      LYS   8  -0.346  -4.808   4.672
   63    HB3  LYS   8           HB3      LYS   8   1.041  -3.745   4.389
   64    HG2  LYS   8           HG2      LYS   8  -0.383  -2.028   3.383
   65    HG3  LYS   8           HG3      LYS   8  -1.795  -3.090   3.537
   66    HD2  LYS   8           HD2      LYS   8  -1.907  -1.486   5.308
   67    HD3  LYS   8           HD3      LYS   8  -1.495  -3.045   6.038
   68    HE2  LYS   8           HE2      LYS   8   0.921  -2.345   6.084
   69    HE3  LYS   8           HE3      LYS   8   0.464  -0.801   5.358
   70    HZ1  LYS   8           HZ1      LYS   8   0.652  -0.628   7.773
   71    HZ2  LYS   8           HZ2      LYS   8  -0.893  -0.347   7.327
   72    HZ3  LYS   8           HZ3      LYS   8  -0.482  -1.780   7.997
   73    H    ARG   9           H        ARG   9   2.419  -3.642   1.942
   74    HA   ARG   9           HA       ARG   9   4.150  -6.008   2.434
   75    HB2  ARG   9           HB2      ARG   9   3.194  -6.062   0.084
   76    HB3  ARG   9           HB3      ARG   9   4.052  -4.557  -0.252
   77    HG2  ARG   9           HG2      ARG   9   6.203  -5.673   0.020
   78    HG3  ARG   9           HG3      ARG   9   5.413  -7.141   0.654
   79    HD2  ARG   9           HD2      ARG   9   4.305  -7.519  -1.503
   80    HD3  ARG   9           HD3      ARG   9   4.965  -6.000  -2.131
   81    HE   ARG   9           HE       ARG   9   7.084  -6.922  -2.343
   82   HH11  ARG   9          HH11      ARG   9   7.933 -10.245  -2.494
   83   HH12  ARG   9          HH12      ARG   9   8.412  -8.610  -2.859
   84   HH21  ARG   9          HH21      ARG   9   4.952  -9.392  -1.037
   85   HH22  ARG   9          HH22      ARG   9   6.032 -10.681  -1.501
   86    H    MET  10           H        MET  10   6.546  -5.327   2.135
   87    HA   MET  10           HA       MET  10   7.037  -2.479   2.701
   88    HB2  MET  10           HB2      MET  10   6.242  -3.533   4.861
   89    HB3  MET  10           HB3      MET  10   7.639  -4.610   4.786
   90    HG2  MET  10           HG2      MET  10   9.112  -2.526   4.788
   91    HG3  MET  10           HG3      MET  10   7.642  -1.581   5.009
   92    HE1  MET  10           HE1      MET  10   9.035  -4.985   6.634
   93    HE2  MET  10           HE2      MET  10  10.365  -3.806   6.556
   94    HE3  MET  10           HE3      MET  10   9.698  -4.295   8.129
   95    H    PHE  11           H        PHE  11   8.998  -1.816   2.243
   96    HA   PHE  11           HA       PHE  11  10.944  -3.513   0.933
   97    HB2  PHE  11           HB2      PHE  11  10.883  -0.583   1.664
   98    HB3  PHE  11           HB3      PHE  11  12.236  -1.340   0.821
   99    HD1  PHE  11           HD1      PHE  11   9.031   0.239   0.401
  100    HD2  PHE  11           HD2      PHE  11  11.758  -2.568  -1.419
  101    HE1  PHE  11           HE1      PHE  11   7.980   0.650  -1.781
  102    HE2  PHE  11           HE2      PHE  11  10.667  -2.179  -3.620
  103    HZ   PHE  11           HZ       PHE  11   8.787  -0.558  -3.812
  104    H    ALA  12           H        ALA  12  13.240  -3.617   1.433
  105    HA   ALA  12           HA       ALA  12  13.793  -4.537   4.060
  106    HB1  ALA  12           HB1      ALA  12  15.692  -3.639   1.845
  107    HB2  ALA  12           HB2      ALA  12  16.116  -4.660   3.236
  108    HB3  ALA  12           HB3      ALA  12  14.977  -5.261   2.019
  109    H    ASN  13           H        ASN  13  13.924  -1.277   2.811
  110    HA   ASN  13           HA       ASN  13  15.549  -0.202   5.007
  111    HB2  ASN  13           HB2      ASN  13  15.178   1.955   3.919
  112    HB3  ASN  13           HB3      ASN  13  15.714   0.736   2.753
  113   HD21  ASN  13          HD21      ASN  13  14.867   2.379   1.228
  114    H    GLY  14           H        GLY  14  12.383  -1.281   4.980
  115    HA2  GLY  14           HA2      GLY  14  10.864  -1.140   6.739
  116    HA3  GLY  14           HA3      GLY  14  11.677   0.301   7.373
  117    H    THR  15           H        THR  15  10.796   0.370   3.975
  118    HA   THR  15           HA       THR  15   8.693   2.402   4.510
  119    HB   THR  15           HB       THR  15  10.005   1.472   1.933
  120    HG1  THR  15           HG1      THR  15  11.419   2.472   3.209
  121   HG21  THR  15          HG21      THR  15   7.877   2.420   1.360
  122   HG22  THR  15          HG22      THR  15   8.133   3.795   2.469
  123   HG23  THR  15          HG23      THR  15   9.128   3.613   1.003
  124    H    VAL  16           H        VAL  16   6.563   1.941   4.361
  125    HA   VAL  16           HA       VAL  16   5.697  -0.774   3.505
  126    HB   VAL  16           HB       VAL  16   4.374   1.476   5.064
  127   HG11  VAL  16          HG11      VAL  16   2.559   0.433   3.787
  128   HG12  VAL  16          HG12      VAL  16   3.119  -1.187   4.272
  129   HG13  VAL  16          HG13      VAL  16   2.478  -0.047   5.478
  130   HG21  VAL  16          HG21      VAL  16   6.010   0.075   6.306
  131   HG22  VAL  16          HG22      VAL  16   4.355  -0.186   6.885
  132   HG23  VAL  16          HG23      VAL  16   5.113  -1.385   5.823
  133    H    TYR  17           H        TYR  17   4.239  -1.163   1.923
  134    HA   TYR  17           HA       TYR  17   2.943   0.982   0.388
  135    HB2  TYR  17           HB2      TYR  17   3.872   0.329  -1.738
  136    HB3  TYR  17           HB3      TYR  17   5.171   0.779  -0.668
  137    HD1  TYR  17           HD1      TYR  17   6.593  -1.052   0.431
  138    HD2  TYR  17           HD2      TYR  17   3.892  -1.789  -2.860
  139    HE1  TYR  17           HE1      TYR  17   7.938  -3.029  -0.242
  140    HE2  TYR  17           HE2      TYR  17   5.219  -3.795  -3.493
  141    HH   TYR  17           HH       TYR  17   8.315  -4.547  -1.896
  142    H    TYR  18           H        TYR  18   1.745  -0.238  -1.543
  143    HA   TYR  18           HA       TYR  18   0.329  -2.604  -0.394
  144    HB2  TYR  18           HB2      TYR  18  -0.708  -0.435  -2.248
  145    HB3  TYR  18           HB3      TYR  18  -1.612  -1.844  -1.677
  146    HD1  TYR  18           HD1      TYR  18  -2.279  -2.057   0.713
  147    HD2  TYR  18           HD2      TYR  18  -0.303   1.471  -0.786
  148    HE1  TYR  18           HE1      TYR  18  -2.926  -0.808   2.778
  149    HE2  TYR  18           HE2      TYR  18  -0.930   2.709   1.278
  150    HH   TYR  18           HH       TYR  18  -1.980   2.596   3.303
  151    H    PHE  19           H        PHE  19   0.076  -4.400  -1.595
  152    HA   PHE  19           HA       PHE  19   1.069  -4.467  -4.399
  153    HB2  PHE  19           HB2      PHE  19   3.015  -4.886  -3.107
  154    HB3  PHE  19           HB3      PHE  19   2.168  -6.072  -2.100
  155    HD1  PHE  19           HD1      PHE  19   3.181  -5.337  -5.593
  156    HD2  PHE  19           HD2      PHE  19   2.109  -8.408  -2.767
  157    HE1  PHE  19           HE1      PHE  19   3.712  -7.036  -7.272
  158    HE2  PHE  19           HE2      PHE  19   2.715 -10.143  -4.439
  159    HZ   PHE  19           HZ       PHE  19   3.509  -9.477  -6.703
  160    H    ASN  20           H        ASN  20   0.036  -5.778  -5.756
  161    HA   ASN  20           HA       ASN  20  -2.177  -7.410  -4.642
  162    HB2  ASN  20           HB2      ASN  20  -2.582  -5.592  -6.358
  163    HB3  ASN  20           HB3      ASN  20  -1.737  -6.618  -7.531
  164   HD21  ASN  20          HD21      ASN  20  -5.592  -7.336  -6.793
  165   HD22  ASN  20          HD22      ASN  20  -4.765  -5.803  -6.553
  166    H    HIS  21           H        HIS  21  -1.710  -9.507  -4.285
  167    HA   HIS  21           HA       HIS  21   0.600 -10.750  -5.562
  168    HB2  HIS  21           HB2      HIS  21   0.438 -12.391  -4.004
  169    HB3  HIS  21           HB3      HIS  21  -0.309 -11.051  -3.135
  170    HD2  HIS  21           HD2      HIS  21  -3.100 -11.200  -2.894
  171    HE1  HIS  21           HE1      HIS  21  -3.315 -15.388  -3.648
  172    HE2  HIS  21           HE2      HIS  21  -4.577 -13.371  -2.743
  173    H    ILE  22           H        ILE  22  -2.698 -10.559  -6.468
  174    HA   ILE  22           HA       ILE  22  -2.786 -13.033  -8.058
  175    HB   ILE  22           HB       ILE  22  -4.680 -10.654  -7.886
  176   HG12  ILE  22          HG12      ILE  22  -4.404 -11.801  -5.676
  177   HG13  ILE  22          HG13      ILE  22  -6.033 -11.860  -6.325
  178   HG21  ILE  22          HG21      ILE  22  -5.120 -11.806  -9.925
  179   HG22  ILE  22          HG22      ILE  22  -5.066 -13.391  -9.128
  180   HG23  ILE  22          HG23      ILE  22  -6.385 -12.249  -8.776
  181   HD11  ILE  22          HD11      ILE  22  -5.703 -14.213  -7.009
  182   HD12  ILE  22          HD12      ILE  22  -4.029 -14.151  -6.399
  183   HD13  ILE  22          HD13      ILE  22  -5.402 -13.969  -5.286
  184    H    THR  23           H        THR  23  -2.467  -9.538  -8.584
  185    HA   THR  23           HA       THR  23  -2.104  -9.935 -11.505
  186    HB   THR  23           HB       THR  23  -2.954  -7.798 -11.874
  187    HG1  THR  23           HG1      THR  23  -3.560  -6.668  -9.770
  188   HG21  THR  23          HG21      THR  23  -4.598  -8.743  -9.490
  189   HG22  THR  23          HG22      THR  23  -5.125  -7.735 -10.852
  190   HG23  THR  23          HG23      THR  23  -4.715  -9.438 -11.124
  191    H    ASN  24           H        ASN  24  -0.151  -9.258  -8.879
  192    HA   ASN  24           HA       ASN  24   1.878  -8.473  -8.522
  193    HB2  ASN  24           HB2      ASN  24   2.358  -8.766 -11.503
  194    HB3  ASN  24           HB3      ASN  24   3.601  -8.519 -10.269
  195   HD21  ASN  24          HD21      ASN  24   2.244 -10.900 -12.101
  196   HD22  ASN  24          HD22      ASN  24   2.573 -12.255 -11.018
  197    H    ALA  25           H        ALA  25  -0.397  -6.530  -9.451
  198    HA   ALA  25           HA       ALA  25   1.013  -4.111 -10.169
  199    HB1  ALA  25           HB1      ALA  25  -1.409  -4.448 -10.541
  200    HB2  ALA  25           HB2      ALA  25  -1.674  -4.495  -8.783
  201    HB3  ALA  25           HB3      ALA  25  -1.092  -3.009  -9.555
  202    H    SER  26           H        SER  26   1.499  -2.287  -8.839
  203    HA   SER  26           HA       SER  26   1.613  -2.656  -5.905
  204    HB2  SER  26           HB2      SER  26   3.954  -1.861  -5.817
  205    HB3  SER  26           HB3      SER  26   3.771  -3.458  -6.539
  206    HG   SER  26           HG       SER  26   4.061  -1.014  -7.983
  207    H    GLN  27           H        GLN  27   1.556  -0.754  -4.704
  208    HA   GLN  27           HA       GLN  27   1.778   1.876  -6.002
  209    HB2  GLN  27           HB2      GLN  27  -0.825   0.591  -5.445
  210    HB3  GLN  27           HB3      GLN  27  -0.655   2.104  -4.582
  211    HG2  GLN  27           HG2      GLN  27  -0.256   1.806  -7.576
  212    HG3  GLN  27           HG3      GLN  27  -1.734   2.348  -6.788
  213   HE21  GLN  27          HE21      GLN  27  -0.800   4.083  -8.605
  214   HE22  GLN  27          HE22      GLN  27  -0.012   5.448  -7.805
  215    H    PHE  28           H        PHE  28   2.066   3.585  -4.609
  216    HA   PHE  28           HA       PHE  28   2.735   2.941  -1.801
  217    HB2  PHE  28           HB2      PHE  28   3.210   5.387  -3.499
  218    HB3  PHE  28           HB3      PHE  28   3.445   5.367  -1.748
  219    HD1  PHE  28           HD1      PHE  28   5.167   3.894  -0.680
  220    HD2  PHE  28           HD2      PHE  28   4.834   4.314  -4.963
  221    HE1  PHE  28           HE1      PHE  28   7.464   2.998  -0.954
  222    HE2  PHE  28           HE2      PHE  28   7.131   3.407  -5.229
  223    HZ   PHE  28           HZ       PHE  28   8.453   2.755  -3.225
  224    H    GLU  29           H        GLU  29   0.216   4.507  -3.605
  225    HA   GLU  29           HA       GLU  29  -1.150   5.563  -1.213
  226    HB2  GLU  29           HB2      GLU  29  -1.254   6.931  -3.166
  227    HB3  GLU  29           HB3      GLU  29  -1.690   5.570  -4.187
  228    HG2  GLU  29           HG2      GLU  29  -3.549   7.060  -3.939
  229    HG3  GLU  29           HG3      GLU  29  -3.925   5.482  -3.276
  230    H    ARG  30           H        ARG  30  -3.151   4.807  -0.431
  231    HA   ARG  30           HA       ARG  30  -3.497   1.965  -0.418
  232    HB2  ARG  30           HB2      ARG  30  -4.084   3.297   1.478
  233    HB3  ARG  30           HB3      ARG  30  -5.301   4.197   0.579
  234    HG2  ARG  30           HG2      ARG  30  -5.555   1.189   0.728
  235    HG3  ARG  30           HG3      ARG  30  -5.906   2.126   2.187
  236    HD2  ARG  30           HD2      ARG  30  -7.792   3.126   1.321
  237    HD3  ARG  30           HD3      ARG  30  -7.208   3.085  -0.330
  238    HE   ARG  30           HE       ARG  30  -7.996   0.947  -0.667
  239   HH11  ARG  30          HH11      ARG  30  -8.544   1.694   2.722
  240   HH12  ARG  30          HH12      ARG  30  -9.758   0.450   2.874
  241   HH21  ARG  30          HH21      ARG  30  -9.561  -0.524  -0.420
  242   HH22  ARG  30          HH22      ARG  30 -10.301  -0.799   1.136
  243    HA   PRO  31           HA       PRO  31  -5.553   1.739  -4.367
  244    HB2  PRO  31           HB2      PRO  31  -6.122  -0.945  -4.492
  245    HB3  PRO  31           HB3      PRO  31  -4.468  -0.274  -4.650
  246    HG2  PRO  31           HG2      PRO  31  -5.795  -1.363  -2.145
  247    HG3  PRO  31           HG3      PRO  31  -4.183  -1.789  -2.806
  248    HD2  PRO  31           HD2      PRO  31  -4.410   0.029  -0.847
  249    HD3  PRO  31           HD3      PRO  31  -3.272   0.302  -2.201
  250    H    SER  32           H        SER  32  -7.561   2.268  -4.979
  251    HA   SER  32           HA       SER  32  -9.837   1.936  -3.153
  252    HB2  SER  32           HB2      SER  32 -10.974   3.438  -4.738
  253    HB3  SER  32           HB3      SER  32  -9.431   4.093  -4.167
  254    HG   SER  32           HG       SER  32  -9.695   4.316  -6.436
  255    H    GLY  33           H        GLY  33  -8.674   0.263  -5.956
  256    HA2  GLY  33           HA2      GLY  33 -10.569  -1.827  -5.925
  257    HA3  GLY  33           HA3      GLY  33 -11.135  -0.653  -7.110
  258    H1   GAL 101           H1       GAL  34  11.936   2.011   0.779
  259    H2   GAL 101           H2       GAL  34  13.755   4.277  -0.198
  260    H3   GAL 101           H3       GAL  34  10.767   3.798  -0.643
  261    H4   GAL 101           H4       GAL  34  11.312   3.363  -2.982
  262    H5   GAL 101           H5       GAL  34  11.348   1.409  -1.521
  263    H61  GAL 101           H61      GAL  34  12.756  -0.159  -2.737
  264    H62  GAL 101           H62      GAL  34  12.031   0.992  -3.878
  265    HO2  GAL 101           H2O      GAL  34  11.713   4.146   1.813
  266    HO3  GAL 101           H3O      GAL  34  11.595   6.026  -0.563
  267    HO4  GAL 101           H4O      GAL  34  13.207   4.773  -2.882
  268    HO6  GAL 101           H6O      GAL  34  14.097   2.225  -3.381
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -11.457  -3.035   4.342
    2    H2   LYS   1           H2       LYS   1 -11.446  -4.309   5.365
    3    H3   LYS   1           H3       LYS   1 -11.641  -4.557   3.761
    4    HA   LYS   1           HA       LYS   1  -9.235  -3.476   5.061
    5    HB2  LYS   1           HB2      LYS   1  -9.486  -5.821   5.601
    6    HB3  LYS   1           HB3      LYS   1  -9.739  -6.240   3.916
    7    HG2  LYS   1           HG2      LYS   1  -7.550  -6.914   4.581
    8    HG3  LYS   1           HG3      LYS   1  -7.383  -5.631   3.399
    9    HD2  LYS   1           HD2      LYS   1  -7.013  -4.009   5.337
   10    HD3  LYS   1           HD3      LYS   1  -6.982  -5.410   6.416
   11    HE2  LYS   1           HE2      LYS   1  -5.121  -4.884   4.055
   12    HE3  LYS   1           HE3      LYS   1  -4.703  -4.656   5.750
   13    HZ1  LYS   1           HZ1      LYS   1  -4.839  -7.013   6.097
   14    HZ2  LYS   1           HZ2      LYS   1  -5.467  -7.287   4.609
   15    HZ3  LYS   1           HZ3      LYS   1  -3.928  -6.800   4.743
   16    H    LEU   2           H        LEU   2  -9.341  -5.283   2.009
   17    HA   LEU   2           HA       LEU   2  -8.552  -2.874   0.473
   18    HB2  LEU   2           HB2      LEU   2  -6.969  -5.440   0.901
   19    HB3  LEU   2           HB3      LEU   2  -6.634  -4.317  -0.418
   20    HG   LEU   2           HG       LEU   2  -6.468  -3.504   2.502
   21   HD11  LEU   2          HD11      LEU   2  -4.044  -3.678   2.227
   22   HD12  LEU   2          HD12      LEU   2  -4.814  -5.252   1.943
   23   HD13  LEU   2          HD13      LEU   2  -4.252  -4.279   0.567
   24   HD21  LEU   2          HD21      LEU   2  -5.211  -1.597   1.606
   25   HD22  LEU   2          HD22      LEU   2  -5.416  -2.212  -0.048
   26   HD23  LEU   2          HD23      LEU   2  -6.819  -1.642   0.886
   27    HA   PRO   3           HA       PRO   3 -10.802  -4.776  -2.823
   28    HB2  PRO   3           HB2      PRO   3  -8.811  -4.022  -4.882
   29    HB3  PRO   3           HB3      PRO   3 -10.482  -3.435  -4.649
   30    HG2  PRO   3           HG2      PRO   3  -8.269  -1.886  -4.115
   31    HG3  PRO   3           HG3      PRO   3  -9.803  -1.746  -3.189
   32    HD2  PRO   3           HD2      PRO   3  -7.293  -3.268  -2.472
   33    HD3  PRO   3           HD3      PRO   3  -8.278  -2.172  -1.459
   34    HA   PRO   4           HA       PRO   4  -9.659  -8.806  -3.883
   35    HB2  PRO   4           HB2      PRO   4  -9.780  -8.231  -6.853
   36    HB3  PRO   4           HB3      PRO   4 -10.472  -9.613  -5.939
   37    HG2  PRO   4           HG2      PRO   4 -12.061  -7.542  -6.621
   38    HG3  PRO   4           HG3      PRO   4 -12.150  -8.202  -4.952
   39    HD2  PRO   4           HD2      PRO   4 -10.678  -5.741  -5.929
   40    HD3  PRO   4           HD3      PRO   4 -11.705  -5.945  -4.475
   41    H    GLY   5           H        GLY   5  -7.796  -9.742  -3.555
   42    HA2  GLY   5           HA2      GLY   5  -5.698 -10.607  -3.893
   43    HA3  GLY   5           HA3      GLY   5  -5.579  -9.734  -5.429
   44    H    TRP   6           H        TRP   6  -6.224  -7.264  -3.327
   45    HA   TRP   6           HA       TRP   6  -3.414  -6.488  -3.120
   46    HB2  TRP   6           HB2      TRP   6  -5.980  -5.163  -2.293
   47    HB3  TRP   6           HB3      TRP   6  -4.387  -4.467  -1.976
   48    HD1  TRP   6           HD1      TRP   6  -6.892  -5.054  -4.737
   49    HE1  TRP   6           HE1      TRP   6  -6.266  -3.680  -6.816
   50    HE3  TRP   6           HE3      TRP   6  -2.175  -3.679  -3.354
   51    HZ2  TRP   6           HZ2      TRP   6  -3.853  -2.547  -7.908
   52    HZ3  TRP   6           HZ3      TRP   6  -0.690  -2.505  -4.975
   53    HH2  TRP   6           HH2      TRP   6  -1.509  -1.940  -7.249
   54    H    GLU   7           H        GLU   7  -2.109  -6.344  -1.404
   55    HA   GLU   7           HA       GLU   7  -3.088  -6.544   1.349
   56    HB2  GLU   7           HB2      GLU   7  -2.825  -8.876   0.807
   57    HB3  GLU   7           HB3      GLU   7  -1.263  -8.590   0.070
   58    HG2  GLU   7           HG2      GLU   7  -1.087  -9.777   2.173
   59    HG3  GLU   7           HG3      GLU   7  -0.200  -8.271   2.180
   60    H    LYS   8           H        LYS   8  -1.524  -5.823   2.922
   61    HA   LYS   8           HA       LYS   8   0.321  -3.781   1.925
   62    HB2  LYS   8           HB2      LYS   8  -0.371  -4.775   4.697
   63    HB3  LYS   8           HB3      LYS   8   1.006  -3.695   4.419
   64    HG2  LYS   8           HG2      LYS   8  -0.430  -2.033   3.332
   65    HG3  LYS   8           HG3      LYS   8  -1.827  -3.113   3.501
   66    HD2  LYS   8           HD2      LYS   8  -1.987  -1.458   5.223
   67    HD3  LYS   8           HD3      LYS   8  -1.549  -2.984   6.008
   68    HE2  LYS   8           HE2      LYS   8   0.854  -2.230   6.049
   69    HE3  LYS   8           HE3      LYS   8   0.371  -0.722   5.268
   70    HZ1  LYS   8           HZ1      LYS   8   0.536  -0.465   7.677
   71    HZ2  LYS   8           HZ2      LYS   8  -1.011  -0.232   7.210
   72    HZ3  LYS   8           HZ3      LYS   8  -0.576  -1.633   7.933
   73    H    ARG   9           H        ARG   9   2.435  -3.628   2.005
   74    HA   ARG   9           HA       ARG   9   4.183  -5.980   2.524
   75    HB2  ARG   9           HB2      ARG   9   3.190  -6.020   0.168
   76    HB3  ARG   9           HB3      ARG   9   4.099  -4.547  -0.172
   77    HG2  ARG   9           HG2      ARG   9   6.210  -5.737   0.110
   78    HG3  ARG   9           HG3      ARG   9   5.368  -7.168   0.760
   79    HD2  ARG   9           HD2      ARG   9   4.239  -7.526  -1.394
   80    HD3  ARG   9           HD3      ARG   9   4.971  -6.049  -2.042
   81    HE   ARG   9           HE       ARG   9   7.045  -7.077  -2.238
   82   HH11  ARG   9          HH11      ARG   9   8.297  -8.837  -2.704
   83   HH12  ARG   9          HH12      ARG   9   7.744 -10.438  -2.296
   84   HH21  ARG   9          HH21      ARG   9   4.803  -9.414  -0.869
   85   HH22  ARG   9          HH22      ARG   9   5.824 -10.760  -1.298
   86    H    MET  10           H        MET  10   6.575  -5.296   2.202
   87    HA   MET  10           HA       MET  10   7.063  -2.440   2.759
   88    HB2  MET  10           HB2      MET  10   6.274  -3.480   4.920
   89    HB3  MET  10           HB3      MET  10   7.655  -4.577   4.843
   90    HG2  MET  10           HG2      MET  10   9.171  -2.550   4.870
   91    HG3  MET  10           HG3      MET  10   7.732  -1.544   5.024
   92    HE1  MET  10           HE1      MET  10  10.294  -3.872   6.709
   93    HE2  MET  10           HE2      MET  10   9.560  -4.267   8.279
   94    HE3  MET  10           HE3      MET  10   8.894  -4.967   6.790
   95    H    PHE  11           H        PHE  11   9.012  -1.771   2.297
   96    HA   PHE  11           HA       PHE  11  10.947  -3.472   0.970
   97    HB2  PHE  11           HB2      PHE  11  10.825  -0.535   1.639
   98    HB3  PHE  11           HB3      PHE  11  12.202  -1.268   0.804
   99    HD1  PHE  11           HD1      PHE  11  11.659  -2.641  -1.385
  100    HD2  PHE  11           HD2      PHE  11   9.056   0.327   0.360
  101    HE1  PHE  11           HE1      PHE  11  10.547  -2.311  -3.583
  102    HE2  PHE  11           HE2      PHE  11   7.958   0.655  -1.827
  103    HZ   PHE  11           HZ       PHE  11   8.700  -0.655  -3.811
  104    H    ALA  12           H        ALA  12  13.273  -3.490   1.420
  105    HA   ALA  12           HA       ALA  12  13.885  -4.404   4.040
  106    HB1  ALA  12           HB1      ALA  12  15.728  -3.457   1.799
  107    HB2  ALA  12           HB2      ALA  12  16.199  -4.468   3.181
  108    HB3  ALA  12           HB3      ALA  12  15.057  -5.096   1.980
  109    H    ASN  13           H        ASN  13  13.933  -1.150   2.780
  110    HA   ASN  13           HA       ASN  13  15.540  -0.002   4.953
  111    HB2  ASN  13           HB2      ASN  13  14.986   2.150   3.858
  112    HB3  ASN  13           HB3      ASN  13  15.675   0.964   2.740
  113   HD21  ASN  13          HD21      ASN  13  14.766   2.380   1.083
  114    H    GLY  14           H        GLY  14  12.387  -1.172   4.925
  115    HA2  GLY  14           HA2      GLY  14  10.895  -1.115   6.706
  116    HA3  GLY  14           HA3      GLY  14  11.681   0.329   7.368
  117    H    THR  15           H        THR  15  10.809   0.581   3.991
  118    HA   THR  15           HA       THR  15   8.598   2.468   4.649
  119    HB   THR  15           HB       THR  15  10.141   1.780   2.116
  120    HG1  THR  15           HG1      THR  15  10.853   3.845   2.361
  121   HG21  THR  15          HG21      THR  15   8.976   3.714   1.054
  122   HG22  THR  15          HG22      THR  15   7.917   2.328   1.314
  123   HG23  THR  15          HG23      THR  15   7.824   3.730   2.409
  124    H    VAL  16           H        VAL  16   6.507   1.959   4.399
  125    HA   VAL  16           HA       VAL  16   5.729  -0.769   3.510
  126    HB   VAL  16           HB       VAL  16   4.362   1.439   5.090
  127   HG11  VAL  16          HG11      VAL  16   2.553   0.434   3.778
  128   HG12  VAL  16          HG12      VAL  16   3.102  -1.200   4.230
  129   HG13  VAL  16          HG13      VAL  16   2.459  -0.083   5.456
  130   HG21  VAL  16          HG21      VAL  16   5.982   0.002   6.314
  131   HG22  VAL  16          HG22      VAL  16   4.319  -0.262   6.872
  132   HG23  VAL  16          HG23      VAL  16   5.081  -1.442   5.790
  133    H    TYR  17           H        TYR  17   4.245  -1.170   1.939
  134    HA   TYR  17           HA       TYR  17   2.945   0.966   0.393
  135    HB2  TYR  17           HB2      TYR  17   3.880   0.294  -1.729
  136    HB3  TYR  17           HB3      TYR  17   5.175   0.759  -0.662
  137    HD1  TYR  17           HD1      TYR  17   6.609  -1.060   0.444
  138    HD2  TYR  17           HD2      TYR  17   3.879  -1.839  -2.809
  139    HE1  TYR  17           HE1      TYR  17   7.936  -3.060  -0.200
  140    HE2  TYR  17           HE2      TYR  17   5.190  -3.865  -3.420
  141    HH   TYR  17           HH       TYR  17   8.283  -4.626  -1.816
  142    H    TYR  18           H        TYR  18   1.743  -0.268  -1.526
  143    HA   TYR  18           HA       TYR  18   0.351  -2.641  -0.371
  144    HB2  TYR  18           HB2      TYR  18  -0.703  -0.454  -2.186
  145    HB3  TYR  18           HB3      TYR  18  -1.589  -1.909  -1.705
  146    HD1  TYR  18           HD1      TYR  18  -0.266   1.343  -0.565
  147    HD2  TYR  18           HD2      TYR  18  -2.434  -2.206   0.588
  148    HE1  TYR  18           HE1      TYR  18  -0.968   2.464   1.545
  149    HE2  TYR  18           HE2      TYR  18  -3.153  -1.071   2.694
  150    HH   TYR  18           HH       TYR  18  -2.128   2.252   3.500
  151    H    PHE  19           H        PHE  19   0.104  -4.470  -1.544
  152    HA   PHE  19           HA       PHE  19   1.077  -4.524  -4.356
  153    HB2  PHE  19           HB2      PHE  19   3.012  -4.994  -3.073
  154    HB3  PHE  19           HB3      PHE  19   2.143  -6.171  -2.073
  155    HD1  PHE  19           HD1      PHE  19   3.151  -5.427  -5.563
  156    HD2  PHE  19           HD2      PHE  19   2.048  -8.510  -2.758
  157    HE1  PHE  19           HE1      PHE  19   3.626  -7.114  -7.265
  158    HE2  PHE  19           HE2      PHE  19   2.605 -10.236  -4.453
  159    HZ   PHE  19           HZ       PHE  19   3.384  -9.561  -6.719
  160    H    ASN  20           H        ASN  20   0.087  -5.844  -5.749
  161    HA   ASN  20           HA       ASN  20  -2.199  -7.420  -4.697
  162    HB2  ASN  20           HB2      ASN  20  -2.506  -5.581  -6.410
  163    HB3  ASN  20           HB3      ASN  20  -1.666  -6.623  -7.569
  164   HD21  ASN  20          HD21      ASN  20  -4.675  -5.706  -6.732
  165   HD22  ASN  20          HD22      ASN  20  -5.555  -7.201  -6.978
  166    H    HIS  21           H        HIS  21  -1.822  -9.528  -4.361
  167    HA   HIS  21           HA       HIS  21   0.473 -10.855  -5.580
  168    HB2  HIS  21           HB2      HIS  21   0.238 -12.436  -3.996
  169    HB3  HIS  21           HB3      HIS  21  -0.580 -11.111  -3.175
  170    HD2  HIS  21           HD2      HIS  21  -3.328 -11.337  -2.945
  171    HE1  HIS  21           HE1      HIS  21  -3.500 -15.482  -3.922
  172    HE2  HIS  21           HE2      HIS  21  -4.789 -13.525  -2.927
  173    H    ILE  22           H        ILE  22  -2.818 -10.543  -6.528
  174    HA   ILE  22           HA       ILE  22  -2.953 -12.990  -8.159
  175    HB   ILE  22           HB       ILE  22  -4.788 -10.567  -7.932
  176   HG12  ILE  22          HG12      ILE  22  -4.570 -11.821  -5.778
  177   HG13  ILE  22          HG13      ILE  22  -6.194 -11.811  -6.448
  178   HG21  ILE  22          HG21      ILE  22  -5.243 -11.614 -10.025
  179   HG22  ILE  22          HG22      ILE  22  -5.236 -13.234  -9.301
  180   HG23  ILE  22          HG23      ILE  22  -6.528 -12.075  -8.906
  181   HD11  ILE  22          HD11      ILE  22  -5.909 -14.140  -7.229
  182   HD12  ILE  22          HD12      ILE  22  -4.241 -14.144  -6.597
  183   HD13  ILE  22          HD13      ILE  22  -5.622 -13.979  -5.494
  184    H    THR  23           H        THR  23  -2.540  -9.498  -8.633
  185    HA   THR  23           HA       THR  23  -2.187  -9.868 -11.558
  186    HB   THR  23           HB       THR  23  -3.001  -7.719 -11.910
  187    HG1  THR  23           HG1      THR  23  -3.575  -6.595  -9.786
  188   HG21  THR  23          HG21      THR  23  -4.796  -9.320 -11.167
  189   HG22  THR  23          HG22      THR  23  -4.656  -8.649  -9.525
  190   HG23  THR  23          HG23      THR  23  -5.165  -7.612 -10.872
  191    H    ASN  24           H        ASN  24  -0.208  -9.270  -8.938
  192    HA   ASN  24           HA       ASN  24   1.841  -8.523  -8.589
  193    HB2  ASN  24           HB2      ASN  24   2.265  -8.840 -11.579
  194    HB3  ASN  24           HB3      ASN  24   3.539  -8.550 -10.388
  195   HD21  ASN  24          HD21      ASN  24   4.249 -10.248  -9.054
  196   HD22  ASN  24          HD22      ASN  24   3.683 -11.901  -9.305
  197    H    ALA  25           H        ALA  25  -0.402  -6.523  -9.539
  198    HA   ALA  25           HA       ALA  25   1.070  -4.123 -10.191
  199    HB1  ALA  25           HB1      ALA  25  -1.030  -2.992  -9.607
  200    HB2  ALA  25           HB2      ALA  25  -1.348  -4.410 -10.624
  201    HB3  ALA  25           HB3      ALA  25  -1.653  -4.484  -8.873
  202    H    SER  26           H        SER  26   1.480  -2.293  -8.797
  203    HA   SER  26           HA       SER  26   1.488  -2.740  -5.885
  204    HB2  SER  26           HB2      SER  26   3.792  -2.002  -5.593
  205    HB3  SER  26           HB3      SER  26   3.690  -3.530  -6.466
  206    HG   SER  26           HG       SER  26   4.110  -2.461  -8.376
  207    H    GLN  27           H        GLN  27   1.510  -0.824  -4.638
  208    HA   GLN  27           HA       GLN  27   1.597   1.813  -5.979
  209    HB2  GLN  27           HB2      GLN  27  -0.863   0.726  -4.540
  210    HB3  GLN  27           HB3      GLN  27  -0.514   2.452  -4.718
  211    HG2  GLN  27           HG2      GLN  27  -0.477   2.226  -7.159
  212    HG3  GLN  27           HG3      GLN  27  -0.961   0.523  -7.005
  213   HE21  GLN  27          HE21      GLN  27  -2.522   2.582  -4.609
  214   HE22  GLN  27          HE22      GLN  27  -3.988   2.839  -5.561
  215    H    PHE  28           H        PHE  28   2.264   3.465  -4.722
  216    HA   PHE  28           HA       PHE  28   3.012   2.955  -1.939
  217    HB2  PHE  28           HB2      PHE  28   3.415   5.294  -3.782
  218    HB3  PHE  28           HB3      PHE  28   3.711   5.412  -2.045
  219    HD1  PHE  28           HD1      PHE  28   4.970   4.033  -5.205
  220    HD2  PHE  28           HD2      PHE  28   5.466   4.078  -0.920
  221    HE1  PHE  28           HE1      PHE  28   7.258   3.098  -5.460
  222    HE2  PHE  28           HE2      PHE  28   7.759   3.158  -1.180
  223    HZ   PHE  28           HZ       PHE  28   8.658   2.668  -3.449
  224    H    GLU  29           H        GLU  29   0.223   4.123  -3.457
  225    HA   GLU  29           HA       GLU  29  -0.878   5.249  -0.915
  226    HB2  GLU  29           HB2      GLU  29  -0.744   6.859  -2.732
  227    HB3  GLU  29           HB3      GLU  29  -1.649   5.779  -3.807
  228    HG2  GLU  29           HG2      GLU  29  -3.643   5.983  -2.408
  229    HG3  GLU  29           HG3      GLU  29  -2.747   6.917  -1.205
  230    H    ARG  30           H        ARG  30  -2.899   4.562  -0.200
  231    HA   ARG  30           HA       ARG  30  -3.443   1.830  -0.396
  232    HB2  ARG  30           HB2      ARG  30  -3.975   3.132   1.521
  233    HB3  ARG  30           HB3      ARG  30  -5.125   4.131   0.646
  234    HG2  ARG  30           HG2      ARG  30  -5.579   1.143   0.763
  235    HG3  ARG  30           HG3      ARG  30  -5.882   2.108   2.215
  236    HD2  ARG  30           HD2      ARG  30  -7.723   3.149   1.372
  237    HD3  ARG  30           HD3      ARG  30  -7.076   3.246  -0.257
  238    HE   ARG  30           HE       ARG  30  -8.086   1.286  -0.838
  239   HH11  ARG  30          HH11      ARG  30  -9.866  -1.030   0.909
  240   HH12  ARG  30          HH12      ARG  30  -9.506  -0.338  -0.663
  241   HH21  ARG  30          HH21      ARG  30  -7.953   1.164   2.675
  242   HH22  ARG  30          HH22      ARG  30  -8.852  -0.341   2.687
  243    HA   PRO  31           HA       PRO  31  -5.406   1.732  -4.348
  244    HB2  PRO  31           HB2      PRO  31  -5.925  -0.933  -4.624
  245    HB3  PRO  31           HB3      PRO  31  -4.260  -0.266  -4.575
  246    HG2  PRO  31           HG2      PRO  31  -5.862  -1.423  -2.265
  247    HG3  PRO  31           HG3      PRO  31  -4.196  -1.859  -2.768
  248    HD2  PRO  31           HD2      PRO  31  -4.612  -0.092  -0.788
  249    HD3  PRO  31           HD3      PRO  31  -3.319   0.182  -1.994
  250    H    SER  32           H        SER  32  -7.340   1.844  -5.367
  251    HA   SER  32           HA       SER  32  -9.840   1.394  -3.822
  252    HB2  SER  32           HB2      SER  32 -10.871   2.789  -5.563
  253    HB3  SER  32           HB3      SER  32  -9.525   3.606  -4.754
  254    HG   SER  32           HG       SER  32  -9.446   3.841  -7.034
  255    H    GLY  33           H        GLY  33  -8.061  -0.021  -6.460
  256    HA2  GLY  33           HA2      GLY  33  -9.659  -2.352  -6.717
  257    HA3  GLY  33           HA3      GLY  33 -10.168  -1.223  -7.971
  258    H1   GAL 101           H1       GAL  34  11.940   1.600   0.517
  259    H2   GAL 101           H2       GAL  34  13.395   4.107  -0.488
  260    H3   GAL 101           H3       GAL  34  10.557   3.057  -0.970
  261    H4   GAL 101           H4       GAL  34  11.251   2.646  -3.280
  262    H5   GAL 101           H5       GAL  34  11.645   0.778  -1.786
  263    H61  GAL 101           H61      GAL  34  12.507   0.313  -4.010
  264    H62  GAL 101           H62      GAL  34  14.033   1.150  -3.646
  265    HO2  GAL 101           H2O      GAL  34  12.663   4.570   1.528
  266    HO3  GAL 101           H3O      GAL  34  10.908   5.394  -0.962
  267    HO4  GAL 101           H4O      GAL  34  12.821   4.410  -3.204
  268    HO6  GAL 101           H6O      GAL  34  14.176  -0.384  -1.818
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -12.464  -5.113   4.025
    2    H2   LYS   1           H2       LYS   1 -11.812  -3.721   4.577
    3    H3   LYS   1           H3       LYS   1 -11.852  -5.042   5.544
    4    HA   LYS   1           HA       LYS   1  -9.640  -4.686   4.711
    5    HB2  LYS   1           HB2      LYS   1 -10.490  -6.987   5.198
    6    HB3  LYS   1           HB3      LYS   1 -10.967  -7.157   3.515
    7    HG2  LYS   1           HG2      LYS   1  -8.913  -8.364   4.001
    8    HG3  LYS   1           HG3      LYS   1  -8.612  -7.118   2.808
    9    HD2  LYS   1           HD2      LYS   1  -7.730  -5.646   4.735
   10    HD3  LYS   1           HD3      LYS   1  -7.876  -7.059   5.777
   11    HE2  LYS   1           HE2      LYS   1  -6.185  -6.881   3.233
   12    HE3  LYS   1           HE3      LYS   1  -5.573  -6.652   4.872
   13    HZ1  LYS   1           HZ1      LYS   1  -6.222  -8.947   5.367
   14    HZ2  LYS   1           HZ2      LYS   1  -6.738  -9.171   3.826
   15    HZ3  LYS   1           HZ3      LYS   1  -5.154  -8.874   4.129
   16    H    LEU   2           H        LEU   2  -8.208  -5.003   2.774
   17    HA   LEU   2           HA       LEU   2  -8.741  -3.155   0.711
   18    HB2  LEU   2           HB2      LEU   2  -6.735  -5.427   1.021
   19    HB3  LEU   2           HB3      LEU   2  -6.647  -4.257  -0.296
   20    HG   LEU   2           HG       LEU   2  -6.570  -3.383   2.613
   21   HD11  LEU   2          HD11      LEU   2  -4.256  -4.016   0.737
   22   HD12  LEU   2          HD12      LEU   2  -4.122  -3.246   2.336
   23   HD13  LEU   2          HD13      LEU   2  -4.701  -4.912   2.210
   24   HD21  LEU   2          HD21      LEU   2  -7.117  -1.633   0.900
   25   HD22  LEU   2          HD22      LEU   2  -5.550  -1.362   1.669
   26   HD23  LEU   2          HD23      LEU   2  -5.618  -2.061   0.039
   27    HA   PRO   3           HA       PRO   3 -10.926  -5.304  -2.434
   28    HB2  PRO   3           HB2      PRO   3  -9.098  -4.404  -4.599
   29    HB3  PRO   3           HB3      PRO   3 -10.819  -4.011  -4.331
   30    HG2  PRO   3           HG2      PRO   3  -8.798  -2.210  -3.900
   31    HG3  PRO   3           HG3      PRO   3 -10.298  -2.233  -2.904
   32    HD2  PRO   3           HD2      PRO   3  -7.587  -3.396  -2.274
   33    HD3  PRO   3           HD3      PRO   3  -8.690  -2.450  -1.230
   34    HA   PRO   4           HA       PRO   4  -9.566  -9.248  -3.584
   35    HB2  PRO   4           HB2      PRO   4  -9.923  -8.657  -6.533
   36    HB3  PRO   4           HB3      PRO   4 -10.433 -10.105  -5.601
   37    HG2  PRO   4           HG2      PRO   4 -12.236  -8.173  -6.137
   38    HG3  PRO   4           HG3      PRO   4 -12.152  -8.856  -4.477
   39    HD2  PRO   4           HD2      PRO   4 -10.974  -6.266  -5.512
   40    HD3  PRO   4           HD3      PRO   4 -11.868  -6.575  -3.989
   41    H    GLY   5           H        GLY   5  -7.633 -10.052  -3.396
   42    HA2  GLY   5           HA2      GLY   5  -5.486 -10.724  -3.842
   43    HA3  GLY   5           HA3      GLY   5  -5.505  -9.808  -5.357
   44    H    TRP   6           H        TRP   6  -6.275  -7.399  -3.272
   45    HA   TRP   6           HA       TRP   6  -3.522  -6.445  -3.080
   46    HB2  TRP   6           HB2      TRP   6  -6.158  -5.244  -2.262
   47    HB3  TRP   6           HB3      TRP   6  -4.600  -4.479  -1.940
   48    HD1  TRP   6           HD1      TRP   6  -7.050  -5.167  -4.726
   49    HE1  TRP   6           HE1      TRP   6  -6.370  -3.913  -6.862
   50    HE3  TRP   6           HE3      TRP   6  -2.416  -3.567  -3.262
   51    HZ2  TRP   6           HZ2      TRP   6  -3.997  -2.680  -7.904
   52    HZ3  TRP   6           HZ3      TRP   6  -0.932  -2.394  -4.883
   53    HH2  TRP   6           HH2      TRP   6  -1.703  -1.947  -7.198
   54    H    GLU   7           H        GLU   7  -2.223  -6.195  -1.384
   55    HA   GLU   7           HA       GLU   7  -3.170  -6.438   1.380
   56    HB2  GLU   7           HB2      GLU   7  -2.658  -8.781   0.599
   57    HB3  GLU   7           HB3      GLU   7  -1.007  -8.277   0.256
   58    HG2  GLU   7           HG2      GLU   7  -1.241  -9.519   2.384
   59    HG3  GLU   7           HG3      GLU   7  -0.570  -7.915   2.618
   60    H    LYS   8           H        LYS   8  -1.551  -5.640   2.934
   61    HA   LYS   8           HA       LYS   8   0.256  -3.595   1.820
   62    HB2  LYS   8           HB2      LYS   8  -0.433  -4.443   4.637
   63    HB3  LYS   8           HB3      LYS   8   0.957  -3.394   4.300
   64    HG2  LYS   8           HG2      LYS   8  -0.448  -1.758   3.161
   65    HG3  LYS   8           HG3      LYS   8  -1.860  -2.818   3.321
   66    HD2  LYS   8           HD2      LYS   8  -2.054  -1.114   4.987
   67    HD3  LYS   8           HD3      LYS   8  -1.657  -2.620   5.828
   68    HE2  LYS   8           HE2      LYS   8   0.751  -1.889   5.926
   69    HE3  LYS   8           HE3      LYS   8   0.309  -0.401   5.083
   70    HZ1  LYS   8           HZ1      LYS   8  -0.734  -1.219   7.742
   71    HZ2  LYS   8           HZ2      LYS   8   0.397  -0.070   7.487
   72    HZ3  LYS   8           HZ3      LYS   8  -1.132   0.162   6.963
   73    H    ARG   9           H        ARG   9   2.388  -3.488   1.874
   74    HA   ARG   9           HA       ARG   9   4.062  -5.874   2.481
   75    HB2  ARG   9           HB2      ARG   9   3.107  -5.967   0.119
   76    HB3  ARG   9           HB3      ARG   9   4.050  -4.524  -0.260
   77    HG2  ARG   9           HG2      ARG   9   6.132  -5.738   0.077
   78    HG3  ARG   9           HG3      ARG   9   5.267  -7.117   0.803
   79    HD2  ARG   9           HD2      ARG   9   4.150  -7.580  -1.336
   80    HD3  ARG   9           HD3      ARG   9   4.951  -6.169  -2.071
   81    HE   ARG   9           HE       ARG   9   6.828  -8.069  -0.905
   82   HH11  ARG   9          HH11      ARG   9   7.956  -9.205  -3.940
   83   HH12  ARG   9          HH12      ARG   9   8.266  -9.100  -2.229
   84   HH21  ARG   9          HH21      ARG   9   4.977  -7.523  -3.842
   85   HH22  ARG   9          HH22      ARG   9   6.164  -8.324  -4.829
   86    H    MET  10           H        MET  10   6.478  -5.265   2.153
   87    HA   MET  10           HA       MET  10   7.032  -2.419   2.711
   88    HB2  MET  10           HB2      MET  10   6.192  -3.465   4.858
   89    HB3  MET  10           HB3      MET  10   7.563  -4.576   4.790
   90    HG2  MET  10           HG2      MET  10   9.088  -2.537   4.823
   91    HG3  MET  10           HG3      MET  10   7.645  -1.548   5.021
   92    HE1  MET  10           HE1      MET  10  10.269  -3.864   6.609
   93    HE2  MET  10           HE2      MET  10   9.561  -4.330   8.172
   94    HE3  MET  10           HE3      MET  10   8.899  -4.997   6.667
   95    H    PHE  11           H        PHE  11   9.003  -1.802   2.266
   96    HA   PHE  11           HA       PHE  11  10.913  -3.553   0.963
   97    HB2  PHE  11           HB2      PHE  11  10.869  -0.615   1.648
   98    HB3  PHE  11           HB3      PHE  11  12.223  -1.389   0.810
   99    HD1  PHE  11           HD1      PHE  11  11.652  -2.710  -1.395
  100    HD2  PHE  11           HD2      PHE  11   9.112   0.291   0.383
  101    HE1  PHE  11           HE1      PHE  11  10.545  -2.335  -3.589
  102    HE2  PHE  11           HE2      PHE  11   8.019   0.664  -1.802
  103    HZ   PHE  11           HZ       PHE  11   8.732  -0.642  -3.799
  104    H    ALA  12           H        ALA  12  13.226  -3.644   1.466
  105    HA   ALA  12           HA       ALA  12  13.740  -4.593   4.091
  106    HB1  ALA  12           HB1      ALA  12  14.935  -5.314   2.056
  107    HB2  ALA  12           HB2      ALA  12  15.675  -3.701   1.906
  108    HB3  ALA  12           HB3      ALA  12  16.070  -4.740   3.292
  109    H    ASN  13           H        ASN  13  13.926  -1.334   2.872
  110    HA   ASN  13           HA       ASN  13  15.530  -0.259   5.082
  111    HB2  ASN  13           HB2      ASN  13  15.054   1.921   4.001
  112    HB3  ASN  13           HB3      ASN  13  15.730   0.726   2.882
  113   HD21  ASN  13          HD21      ASN  13  14.887   2.184   1.226
  114    H    GLY  14           H        GLY  14  12.338  -1.322   4.981
  115    HA2  GLY  14           HA2      GLY  14  10.827  -1.239   6.749
  116    HA3  GLY  14           HA3      GLY  14  11.638   0.179   7.430
  117    H    THR  15           H        THR  15  10.835   0.479   4.043
  118    HA   THR  15           HA       THR  15   8.665   2.420   4.677
  119    HB   THR  15           HB       THR  15  10.236   1.712   2.167
  120    HG1  THR  15           HG1      THR  15  11.006   3.755   2.450
  121   HG21  THR  15          HG21      THR  15   9.149   3.692   1.105
  122   HG22  THR  15          HG22      THR  15   8.043   2.338   1.333
  123   HG23  THR  15          HG23      THR  15   7.974   3.731   2.440
  124    H    VAL  16           H        VAL  16   6.565   1.979   4.375
  125    HA   VAL  16           HA       VAL  16   5.726  -0.720   3.457
  126    HB   VAL  16           HB       VAL  16   4.382   1.521   5.011
  127   HG11  VAL  16          HG11      VAL  16   3.091  -1.099   4.141
  128   HG12  VAL  16          HG12      VAL  16   2.449   0.032   5.353
  129   HG13  VAL  16          HG13      VAL  16   2.578   0.543   3.675
  130   HG21  VAL  16          HG21      VAL  16   4.272  -0.174   6.797
  131   HG22  VAL  16          HG22      VAL  16   5.044  -1.366   5.737
  132   HG23  VAL  16          HG23      VAL  16   5.950   0.068   6.276
  133    H    TYR  17           H        TYR  17   4.242  -1.073   1.870
  134    HA   TYR  17           HA       TYR  17   3.020   1.102   0.315
  135    HB2  TYR  17           HB2      TYR  17   3.957   0.421  -1.795
  136    HB3  TYR  17           HB3      TYR  17   5.263   0.812  -0.715
  137    HD1  TYR  17           HD1      TYR  17   6.602  -1.090   0.377
  138    HD2  TYR  17           HD2      TYR  17   3.866  -1.690  -2.912
  139    HE1  TYR  17           HE1      TYR  17   7.837  -3.141  -0.284
  140    HE2  TYR  17           HE2      TYR  17   5.085  -3.767  -3.539
  141    HH   TYR  17           HH       TYR  17   8.082  -4.757  -1.871
  142    H    TYR  18           H        TYR  18   1.793  -0.109  -1.607
  143    HA   TYR  18           HA       TYR  18   0.318  -2.426  -0.449
  144    HB2  TYR  18           HB2      TYR  18  -0.650  -0.198  -2.255
  145    HB3  TYR  18           HB3      TYR  18  -1.577  -1.646  -1.844
  146    HD1  TYR  18           HD1      TYR  18  -0.167   1.511  -0.532
  147    HD2  TYR  18           HD2      TYR  18  -2.551  -1.971   0.381
  148    HE1  TYR  18           HE1      TYR  18  -0.942   2.596   1.571
  149    HE2  TYR  18           HE2      TYR  18  -3.341  -0.869   2.471
  150    HH   TYR  18           HH       TYR  18  -2.256   2.397   3.424
  151    H    PHE  19           H        PHE  19   0.020  -4.263  -1.593
  152    HA   PHE  19           HA       PHE  19   1.012  -4.388  -4.397
  153    HB2  PHE  19           HB2      PHE  19   2.936  -4.841  -3.058
  154    HB3  PHE  19           HB3      PHE  19   2.045  -6.014  -2.076
  155    HD1  PHE  19           HD1      PHE  19   3.123  -5.277  -5.549
  156    HD2  PHE  19           HD2      PHE  19   1.973  -8.352  -2.755
  157    HE1  PHE  19           HE1      PHE  19   3.648  -6.975  -7.233
  158    HE2  PHE  19           HE2      PHE  19   2.574 -10.083  -4.428
  159    HZ   PHE  19           HZ       PHE  19   3.399  -9.415  -6.682
  160    H    ASN  20           H        ASN  20   0.065  -5.808  -5.746
  161    HA   ASN  20           HA       ASN  20  -2.182  -7.414  -4.630
  162    HB2  ASN  20           HB2      ASN  20  -2.642  -5.587  -6.299
  163    HB3  ASN  20           HB3      ASN  20  -1.764  -6.546  -7.502
  164   HD21  ASN  20          HD21      ASN  20  -4.802  -5.828  -6.588
  165   HD22  ASN  20          HD22      ASN  20  -5.600  -7.358  -6.911
  166    H    HIS  21           H        HIS  21  -1.754  -9.529  -4.361
  167    HA   HIS  21           HA       HIS  21   0.566 -10.737  -5.661
  168    HB2  HIS  21           HB2      HIS  21   0.445 -12.362  -4.105
  169    HB3  HIS  21           HB3      HIS  21  -0.388 -11.079  -3.232
  170    HD2  HIS  21           HD2      HIS  21  -3.168 -11.361  -3.058
  171    HE1  HIS  21           HE1      HIS  21  -3.185 -15.533  -3.924
  172    HE2  HIS  21           HE2      HIS  21  -4.555 -13.597  -3.001
  173    H    ILE  22           H        ILE  22  -2.749 -10.548  -6.548
  174    HA   ILE  22           HA       ILE  22  -2.813 -12.987  -8.198
  175    HB   ILE  22           HB       ILE  22  -4.720 -10.622  -7.969
  176   HG12  ILE  22          HG12      ILE  22  -4.477 -11.839  -5.805
  177   HG13  ILE  22          HG13      ILE  22  -6.096 -11.905  -6.486
  178   HG21  ILE  22          HG21      ILE  22  -6.412 -12.190  -8.932
  179   HG22  ILE  22          HG22      ILE  22  -5.142 -11.699 -10.054
  180   HG23  ILE  22          HG23      ILE  22  -5.085 -13.313  -9.317
  181   HD11  ILE  22          HD11      ILE  22  -5.706 -14.231  -7.233
  182   HD12  ILE  22          HD12      ILE  22  -4.043 -14.154  -6.588
  183   HD13  ILE  22          HD13      ILE  22  -5.439 -14.035  -5.497
  184    H    THR  23           H        THR  23  -2.519  -9.479  -8.633
  185    HA   THR  23           HA       THR  23  -2.166  -9.794 -11.563
  186    HB   THR  23           HB       THR  23  -3.017  -7.648 -11.867
  187    HG1  THR  23           HG1      THR  23  -3.599  -6.577  -9.724
  188   HG21  THR  23          HG21      THR  23  -5.178  -7.607 -10.822
  189   HG22  THR  23          HG22      THR  23  -4.778  -9.303 -11.142
  190   HG23  THR  23          HG23      THR  23  -4.644  -8.652  -9.491
  191    H    ASN  24           H        ASN  24  -0.197  -9.184  -8.927
  192    HA   ASN  24           HA       ASN  24   1.834  -8.403  -8.561
  193    HB2  ASN  24           HB2      ASN  24   2.299  -8.663 -11.547
  194    HB3  ASN  24           HB3      ASN  24   3.550  -8.425 -10.320
  195   HD21  ASN  24          HD21      ASN  24   2.504 -12.157 -11.087
  196   HD22  ASN  24          HD22      ASN  24   2.161 -10.792 -12.156
  197    H    ALA  25           H        ALA  25  -0.440  -6.449  -9.466
  198    HA   ALA  25           HA       ALA  25   0.964  -4.026 -10.173
  199    HB1  ALA  25           HB1      ALA  25  -1.148  -2.934  -9.560
  200    HB2  ALA  25           HB2      ALA  25  -1.452  -4.368 -10.558
  201    HB3  ALA  25           HB3      ALA  25  -1.727  -4.431  -8.801
  202    H    SER  26           H        SER  26   1.443  -2.206  -8.845
  203    HA   SER  26           HA       SER  26   1.559  -2.572  -5.914
  204    HB2  SER  26           HB2      SER  26   3.920  -1.840  -5.827
  205    HB3  SER  26           HB3      SER  26   3.698  -3.428  -6.555
  206    HG   SER  26           HG       SER  26   4.032  -0.992  -7.999
  207    H    GLN  27           H        GLN  27   1.528  -0.670  -4.725
  208    HA   GLN  27           HA       GLN  27   1.773   1.966  -6.068
  209    HB2  GLN  27           HB2      GLN  27  -0.727   0.971  -4.640
  210    HB3  GLN  27           HB3      GLN  27  -0.329   2.687  -4.848
  211    HG2  GLN  27           HG2      GLN  27  -0.375   2.493  -7.242
  212    HG3  GLN  27           HG3      GLN  27  -0.790   0.765  -7.133
  213   HE21  GLN  27          HE21      GLN  27  -3.882   2.874  -5.519
  214   HE22  GLN  27          HE22      GLN  27  -2.372   2.643  -4.639
  215    H    PHE  28           H        PHE  28   2.385   3.639  -4.744
  216    HA   PHE  28           HA       PHE  28   3.122   3.031  -1.977
  217    HB2  PHE  28           HB2      PHE  28   3.558   5.425  -3.731
  218    HB3  PHE  28           HB3      PHE  28   3.821   5.490  -1.986
  219    HD1  PHE  28           HD1      PHE  28   5.125   4.178  -5.161
  220    HD2  PHE  28           HD2      PHE  28   5.549   4.118  -0.868
  221    HE1  PHE  28           HE1      PHE  28   7.404   3.216  -5.397
  222    HE2  PHE  28           HE2      PHE  28   7.833   3.171  -1.110
  223    HZ   PHE  28           HZ       PHE  28   8.763   2.720  -3.374
  224    H    GLU  29           H        GLU  29   0.334   4.252  -3.451
  225    HA   GLU  29           HA       GLU  29  -0.814   5.125  -0.829
  226    HB2  GLU  29           HB2      GLU  29  -0.715   6.905  -2.555
  227    HB3  GLU  29           HB3      GLU  29  -1.619   5.881  -3.667
  228    HG2  GLU  29           HG2      GLU  29  -3.029   7.613  -2.662
  229    HG3  GLU  29           HG3      GLU  29  -3.606   6.010  -2.245
  230    H    ARG  30           H        ARG  30  -3.062   4.417  -0.420
  231    HA   ARG  30           HA       ARG  30  -3.351   1.626  -0.874
  232    HB2  ARG  30           HB2      ARG  30  -5.479   1.761   0.219
  233    HB3  ARG  30           HB3      ARG  30  -4.321   2.751   1.075
  234    HG2  ARG  30           HG2      ARG  30  -5.404   4.718   0.627
  235    HG3  ARG  30           HG3      ARG  30  -6.016   4.202  -0.952
  236    HD2  ARG  30           HD2      ARG  30  -7.070   3.207   1.710
  237    HD3  ARG  30           HD3      ARG  30  -7.806   4.492   0.738
  238    HE   ARG  30           HE       ARG  30  -7.674   2.414  -1.067
  239   HH11  ARG  30          HH11      ARG  30  -9.118   0.903  -1.459
  240   HH12  ARG  30          HH12      ARG  30 -10.282   0.392  -0.241
  241   HH21  ARG  30          HH21      ARG  30  -9.103   2.580   2.143
  242   HH22  ARG  30          HH22      ARG  30 -10.252   1.321   1.769
  243    HA   PRO  31           HA       PRO  31  -5.359   1.293  -4.809
  244    HB2  PRO  31           HB2      PRO  31  -6.767  -1.041  -4.578
  245    HB3  PRO  31           HB3      PRO  31  -4.975  -0.980  -4.649
  246    HG2  PRO  31           HG2      PRO  31  -6.727  -1.088  -2.164
  247    HG3  PRO  31           HG3      PRO  31  -5.340  -2.152  -2.573
  248    HD2  PRO  31           HD2      PRO  31  -5.025  -0.022  -0.961
  249    HD3  PRO  31           HD3      PRO  31  -3.777  -0.416  -2.181
  250    H    SER  32           H        SER  32  -7.239   1.887  -5.837
  251    HA   SER  32           HA       SER  32  -9.217   3.266  -4.268
  252    HB2  SER  32           HB2      SER  32  -9.102   2.658  -7.248
  253    HB3  SER  32           HB3      SER  32 -10.218   3.798  -6.472
  254    HG   SER  32           HG       SER  32  -8.358   4.846  -7.285
  255    H    GLY  33           H        GLY  33  -9.214   0.060  -5.659
  256    HA2  GLY  33           HA2      GLY  33 -10.750  -1.682  -5.612
  257    HA3  GLY  33           HA3      GLY  33 -11.738  -0.751  -4.485
  258    H1   GAL 101           H1       GAL  34  12.044   1.507   0.611
  259    H2   GAL 101           H2       GAL  34  13.606   3.967  -0.345
  260    H3   GAL 101           H3       GAL  34  10.739   3.031  -0.884
  261    H4   GAL 101           H4       GAL  34  11.453   2.618  -3.186
  262    H5   GAL 101           H5       GAL  34  11.749   0.721  -1.706
  263    H61  GAL 101           H61      GAL  34  12.625   0.241  -3.920
  264    H62  GAL 101           H62      GAL  34  14.176   1.018  -3.529
  265    HO2  GAL 101           H2O      GAL  34  12.859   4.433   1.666
  266    HO3  GAL 101           H3O      GAL  34  11.181   5.352  -0.844
  267    HO4  GAL 101           H4O      GAL  34  13.090   4.318  -3.066
  268    HO6  GAL 101           H6O      GAL  34  14.238  -0.534  -1.713
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -10.996  -5.945   3.346
    2    H2   LYS   1           H2       LYS   1 -11.935  -4.613   3.519
    3    H3   LYS   1           H3       LYS   1 -11.556  -5.520   4.822
    4    HA   LYS   1           HA       LYS   1 -10.287  -3.505   4.841
    5    HB2  LYS   1           HB2      LYS   1  -9.316  -5.624   5.780
    6    HB3  LYS   1           HB3      LYS   1  -8.481  -5.886   4.250
    7    HG2  LYS   1           HG2      LYS   1  -7.375  -3.578   4.610
    8    HG3  LYS   1           HG3      LYS   1  -8.141  -3.563   6.197
    9    HD2  LYS   1           HD2      LYS   1  -5.921  -4.303   6.550
   10    HD3  LYS   1           HD3      LYS   1  -6.924  -5.754   6.700
   11    HE2  LYS   1           HE2      LYS   1  -6.339  -6.367   4.339
   12    HE3  LYS   1           HE3      LYS   1  -5.370  -4.891   4.213
   13    HZ1  LYS   1           HZ1      LYS   1  -3.966  -5.770   6.021
   14    HZ2  LYS   1           HZ2      LYS   1  -4.825  -7.163   6.040
   15    HZ3  LYS   1           HZ3      LYS   1  -3.949  -6.752   4.717
   16    H    LEU   2           H        LEU   2  -8.894  -5.449   2.149
   17    HA   LEU   2           HA       LEU   2  -8.503  -2.951   0.567
   18    HB2  LEU   2           HB2      LEU   2  -6.804  -5.446   0.909
   19    HB3  LEU   2           HB3      LEU   2  -6.543  -4.299  -0.407
   20    HG   LEU   2           HG       LEU   2  -6.459  -3.424   2.495
   21   HD11  LEU   2          HD11      LEU   2  -4.019  -3.572   2.341
   22   HD12  LEU   2          HD12      LEU   2  -4.751  -5.169   2.103
   23   HD13  LEU   2          HD13      LEU   2  -4.146  -4.259   0.704
   24   HD21  LEU   2          HD21      LEU   2  -6.744  -1.647   0.734
   25   HD22  LEU   2          HD22      LEU   2  -5.212  -1.529   1.600
   26   HD23  LEU   2          HD23      LEU   2  -5.253  -2.229  -0.033
   27    HA   PRO   3           HA       PRO   3 -10.785  -4.800  -2.734
   28    HB2  PRO   3           HB2      PRO   3  -8.830  -3.969  -4.806
   29    HB3  PRO   3           HB3      PRO   3 -10.516  -3.437  -4.559
   30    HG2  PRO   3           HG2      PRO   3  -8.367  -1.825  -4.011
   31    HG3  PRO   3           HG3      PRO   3  -9.886  -1.775  -3.047
   32    HD2  PRO   3           HD2      PRO   3  -7.304  -3.207  -2.413
   33    HD3  PRO   3           HD3      PRO   3  -8.317  -2.177  -1.359
   34    HA   PRO   4           HA       PRO   4  -9.655  -8.793  -3.924
   35    HB2  PRO   4           HB2      PRO   4  -9.798  -8.124  -6.875
   36    HB3  PRO   4           HB3      PRO   4 -10.468  -9.544  -6.004
   37    HG2  PRO   4           HG2      PRO   4 -12.086  -7.469  -6.595
   38    HG3  PRO   4           HG3      PRO   4 -12.148  -8.186  -4.949
   39    HD2  PRO   4           HD2      PRO   4 -10.719  -5.676  -5.859
   40    HD3  PRO   4           HD3      PRO   4 -11.719  -5.943  -4.397
   41    H    GLY   5           H        GLY   5  -7.786  -9.698  -3.595
   42    HA2  GLY   5           HA2      GLY   5  -5.686 -10.549  -3.936
   43    HA3  GLY   5           HA3      GLY   5  -5.569  -9.669  -5.467
   44    H    TRP   6           H        TRP   6  -6.219  -7.181  -3.408
   45    HA   TRP   6           HA       TRP   6  -3.412  -6.414  -3.177
   46    HB2  TRP   6           HB2      TRP   6  -5.977  -5.075  -2.366
   47    HB3  TRP   6           HB3      TRP   6  -4.382  -4.387  -2.040
   48    HD1  TRP   6           HD1      TRP   6  -6.889  -4.932  -4.798
   49    HE1  TRP   6           HE1      TRP   6  -6.185  -3.686  -6.930
   50    HE3  TRP   6           HE3      TRP   6  -2.133  -3.674  -3.427
   51    HZ2  TRP   6           HZ2      TRP   6  -3.772  -2.550  -7.997
   52    HZ3  TRP   6           HZ3      TRP   6  -0.623  -2.547  -5.050
   53    HH2  TRP   6           HH2      TRP   6  -1.421  -1.983  -7.333
   54    H    GLU   7           H        GLU   7  -2.100  -6.318  -1.464
   55    HA   GLU   7           HA       GLU   7  -3.099  -6.483   1.283
   56    HB2  GLU   7           HB2      GLU   7  -2.892  -8.826   0.737
   57    HB3  GLU   7           HB3      GLU   7  -1.309  -8.579   0.031
   58    HG2  GLU   7           HG2      GLU   7  -1.198  -9.765   2.139
   59    HG3  GLU   7           HG3      GLU   7  -0.284  -8.274   2.169
   60    H    LYS   8           H        LYS   8  -1.530  -5.809   2.869
   61    HA   LYS   8           HA       LYS   8   0.358  -3.803   1.905
   62    HB2  LYS   8           HB2      LYS   8  -0.359  -4.821   4.661
   63    HB3  LYS   8           HB3      LYS   8   1.039  -3.764   4.405
   64    HG2  LYS   8           HG2      LYS   8  -0.363  -2.065   3.327
   65    HG3  LYS   8           HG3      LYS   8  -1.781  -3.119   3.493
   66    HD2  LYS   8           HD2      LYS   8  -1.899  -1.470   5.225
   67    HD3  LYS   8           HD3      LYS   8  -1.493  -3.009   5.998
   68    HE2  LYS   8           HE2      LYS   8   0.923  -2.313   6.041
   69    HE3  LYS   8           HE3      LYS   8   0.477  -0.790   5.264
   70    HZ1  LYS   8           HZ1      LYS   8  -0.489  -1.684   7.928
   71    HZ2  LYS   8           HZ2      LYS   8   0.651  -0.544   7.674
   72    HZ3  LYS   8           HZ3      LYS   8  -0.890  -0.270   7.210
   73    H    ARG   9           H        ARG   9   2.469  -3.669   1.984
   74    HA   ARG   9           HA       ARG   9   4.210  -5.979   2.644
   75    HB2  ARG   9           HB2      ARG   9   3.368  -6.204   0.268
   76    HB3  ARG   9           HB3      ARG   9   4.183  -4.694  -0.129
   77    HG2  ARG   9           HG2      ARG   9   6.351  -5.668   0.248
   78    HG3  ARG   9           HG3      ARG   9   5.661  -7.095   1.049
   79    HD2  ARG   9           HD2      ARG   9   5.102  -6.403  -1.865
   80    HD3  ARG   9           HD3      ARG   9   6.490  -7.381  -1.336
   81    HE   ARG   9           HE       ARG   9   3.915  -8.334  -0.316
   82   HH11  ARG   9          HH11      ARG   9   4.032 -11.207  -2.193
   83   HH12  ARG   9          HH12      ARG   9   3.292 -10.393  -0.843
   84   HH21  ARG   9          HH21      ARG   9   6.123  -8.624  -3.022
   85   HH22  ARG   9          HH22      ARG   9   5.585 -10.240  -3.398
   86    H    MET  10           H        MET  10   6.607  -5.279   2.358
   87    HA   MET  10           HA       MET  10   7.061  -2.401   2.799
   88    HB2  MET  10           HB2      MET  10   6.248  -3.346   4.996
   89    HB3  MET  10           HB3      MET  10   7.633  -4.440   4.986
   90    HG2  MET  10           HG2      MET  10   9.136  -2.391   4.926
   91    HG3  MET  10           HG3      MET  10   7.684  -1.402   5.052
   92    HE1  MET  10           HE1      MET  10   8.940  -4.740   6.912
   93    HE2  MET  10           HE2      MET  10  10.305  -3.604   6.802
   94    HE3  MET  10           HE3      MET  10   9.583  -3.980   8.382
   95    H    PHE  11           H        PHE  11   9.022  -1.754   2.324
   96    HA   PHE  11           HA       PHE  11  10.969  -3.517   1.104
   97    HB2  PHE  11           HB2      PHE  11  10.851  -0.553   1.645
   98    HB3  PHE  11           HB3      PHE  11  12.232  -1.328   0.855
   99    HD1  PHE  11           HD1      PHE  11   9.098   0.261   0.316
  100    HD2  PHE  11           HD2      PHE  11  11.699  -2.790  -1.279
  101    HE1  PHE  11           HE1      PHE  11   8.021   0.502  -1.894
  102    HE2  PHE  11           HE2      PHE  11  10.608  -2.550  -3.498
  103    HZ   PHE  11           HZ       PHE  11   8.774  -0.896  -3.814
  104    H    ALA  12           H        ALA  12  13.283  -3.538   1.589
  105    HA   ALA  12           HA       ALA  12  13.850  -4.325   4.261
  106    HB1  ALA  12           HB1      ALA  12  15.037  -5.139   2.255
  107    HB2  ALA  12           HB2      ALA  12  15.734  -3.521   1.999
  108    HB3  ALA  12           HB3      ALA  12  16.172  -4.465   3.439
  109    H    ASN  13           H        ASN  13  13.947  -1.140   2.842
  110    HA   ASN  13           HA       ASN  13  15.545   0.099   4.969
  111    HB2  ASN  13           HB2      ASN  13  15.013   2.202   3.770
  112    HB3  ASN  13           HB3      ASN  13  15.699   0.959   2.712
  113   HD21  ASN  13          HD21      ASN  13  14.811   2.298   0.985
  114    H    GLY  14           H        GLY  14  12.384  -1.049   4.973
  115    HA2  GLY  14           HA2      GLY  14  10.892  -0.907   6.752
  116    HA3  GLY  14           HA3      GLY  14  11.675   0.569   7.340
  117    H    THR  15           H        THR  15  10.821   0.662   3.954
  118    HA   THR  15           HA       THR  15   8.605   2.573   4.514
  119    HB   THR  15           HB       THR  15  10.164   1.775   2.024
  120    HG1  THR  15           HG1      THR  15  10.883   3.845   2.186
  121   HG21  THR  15          HG21      THR  15   7.847   3.739   2.219
  122   HG22  THR  15          HG22      THR  15   9.009   3.664   0.873
  123   HG23  THR  15          HG23      THR  15   7.946   2.291   1.185
  124    H    VAL  16           H        VAL  16   6.517   2.048   4.285
  125    HA   VAL  16           HA       VAL  16   5.737  -0.712   3.497
  126    HB   VAL  16           HB       VAL  16   4.361   1.560   4.978
  127   HG11  VAL  16          HG11      VAL  16   2.466   0.044   5.406
  128   HG12  VAL  16          HG12      VAL  16   2.565   0.484   3.706
  129   HG13  VAL  16          HG13      VAL  16   3.122  -1.124   4.236
  130   HG21  VAL  16          HG21      VAL  16   4.325  -0.050   6.839
  131   HG22  VAL  16          HG22      VAL  16   5.092  -1.279   5.817
  132   HG23  VAL  16          HG23      VAL  16   5.987   0.191   6.271
  133    H    TYR  17           H        TYR  17   4.259  -1.166   1.927
  134    HA   TYR  17           HA       TYR  17   2.963   0.920   0.314
  135    HB2  TYR  17           HB2      TYR  17   3.926   0.230  -1.780
  136    HB3  TYR  17           HB3      TYR  17   5.218   0.692  -0.710
  137    HD1  TYR  17           HD1      TYR  17   6.618  -1.141   0.431
  138    HD2  TYR  17           HD2      TYR  17   3.916  -1.905  -2.851
  139    HE1  TYR  17           HE1      TYR  17   7.924  -3.165  -0.181
  140    HE2  TYR  17           HE2      TYR  17   5.205  -3.952  -3.430
  141    HH   TYR  17           HH       TYR  17   8.250  -4.775  -1.768
  142    H    TYR  18           H        TYR  18   1.796  -0.365  -1.579
  143    HA   TYR  18           HA       TYR  18   0.419  -2.738  -0.406
  144    HB2  TYR  18           HB2      TYR  18  -0.673  -0.543  -2.192
  145    HB3  TYR  18           HB3      TYR  18  -1.548  -2.000  -1.701
  146    HD1  TYR  18           HD1      TYR  18  -0.126   1.217  -0.525
  147    HD2  TYR  18           HD2      TYR  18  -2.439  -2.262   0.556
  148    HE1  TYR  18           HE1      TYR  18  -0.763   2.311   1.618
  149    HE2  TYR  18           HE2      TYR  18  -3.109  -1.143   2.686
  150    HH   TYR  18           HH       TYR  18  -1.909   2.095   3.582
  151    H    PHE  19           H        PHE  19   0.173  -4.556  -1.596
  152    HA   PHE  19           HA       PHE  19   1.130  -4.581  -4.420
  153    HB2  PHE  19           HB2      PHE  19   3.057  -5.097  -3.097
  154    HB3  PHE  19           HB3      PHE  19   2.164  -6.312  -2.170
  155    HD1  PHE  19           HD1      PHE  19   3.352  -5.412  -5.561
  156    HD2  PHE  19           HD2      PHE  19   1.912  -8.593  -3.035
  157    HE1  PHE  19           HE1      PHE  19   3.835  -7.021  -7.346
  158    HE2  PHE  19           HE2      PHE  19   2.480 -10.242  -4.805
  159    HZ   PHE  19           HZ       PHE  19   3.439  -9.474  -6.969
  160    H    ASN  20           H        ASN  20   0.123  -5.920  -5.806
  161    HA   ASN  20           HA       ASN  20  -2.197  -7.431  -4.729
  162    HB2  ASN  20           HB2      ASN  20  -2.476  -5.592  -6.441
  163    HB3  ASN  20           HB3      ASN  20  -1.665  -6.652  -7.606
  164   HD21  ASN  20          HD21      ASN  20  -4.647  -5.676  -6.723
  165   HD22  ASN  20          HD22      ASN  20  -5.563  -7.152  -6.981
  166    H    HIS  21           H        HIS  21  -1.897  -9.556  -4.405
  167    HA   HIS  21           HA       HIS  21   0.351 -10.957  -5.625
  168    HB2  HIS  21           HB2      HIS  21   0.045 -12.546  -4.059
  169    HB3  HIS  21           HB3      HIS  21  -0.719 -11.194  -3.227
  170    HD2  HIS  21           HD2      HIS  21  -3.468 -11.318  -2.985
  171    HE1  HIS  21           HE1      HIS  21  -3.811 -15.437  -4.020
  172    HE2  HIS  21           HE2      HIS  21  -5.016 -13.444  -2.991
  173    H    ILE  22           H        ILE  22  -2.920 -10.531  -6.597
  174    HA   ILE  22           HA       ILE  22  -3.115 -12.970  -8.238
  175    HB   ILE  22           HB       ILE  22  -4.889 -10.506  -7.999
  176   HG12  ILE  22          HG12      ILE  22  -4.697 -11.796  -5.854
  177   HG13  ILE  22          HG13      ILE  22  -6.321 -11.705  -6.514
  178   HG21  ILE  22          HG21      ILE  22  -5.403 -13.149  -9.389
  179   HG22  ILE  22          HG22      ILE  22  -6.665 -11.959  -8.988
  180   HG23  ILE  22          HG23      ILE  22  -5.365 -11.524 -10.099
  181   HD11  ILE  22          HD11      ILE  22  -4.471 -14.118  -6.711
  182   HD12  ILE  22          HD12      ILE  22  -5.834 -13.909  -5.591
  183   HD13  ILE  22          HD13      ILE  22  -6.143 -14.034  -7.325
  184    H    THR  23           H        THR  23  -2.621  -9.485  -8.682
  185    HA   THR  23           HA       THR  23  -2.270  -9.835 -11.609
  186    HB   THR  23           HB       THR  23  -3.036  -7.666 -11.943
  187    HG1  THR  23           HG1      THR  23  -3.580  -6.544  -9.812
  188   HG21  THR  23          HG21      THR  23  -4.709  -8.571  -9.560
  189   HG22  THR  23          HG22      THR  23  -5.194  -7.516 -10.901
  190   HG23  THR  23          HG23      THR  23  -4.867  -9.230 -11.205
  191    H    ASN  24           H        ASN  24  -0.285  -9.283  -8.973
  192    HA   ASN  24           HA       ASN  24   1.778  -8.584  -8.616
  193    HB2  ASN  24           HB2      ASN  24   2.237  -8.859 -11.602
  194    HB3  ASN  24           HB3      ASN  24   3.490  -8.697 -10.364
  195   HD21  ASN  24          HD21      ASN  24   1.922 -10.970 -12.213
  196   HD22  ASN  24          HD22      ASN  24   2.215 -12.361 -11.166
  197    H    ALA  25           H        ALA  25  -0.413  -6.541  -9.554
  198    HA   ALA  25           HA       ALA  25   1.112  -4.175 -10.226
  199    HB1  ALA  25           HB1      ALA  25  -1.633  -4.478  -8.937
  200    HB2  ALA  25           HB2      ALA  25  -0.976  -3.004  -9.678
  201    HB3  ALA  25           HB3      ALA  25  -1.305  -4.426 -10.685
  202    H    SER  26           H        SER  26   1.511  -2.329  -8.845
  203    HA   SER  26           HA       SER  26   1.520  -2.764  -5.924
  204    HB2  SER  26           HB2      SER  26   3.810  -1.970  -5.671
  205    HB3  SER  26           HB3      SER  26   3.726  -3.494  -6.556
  206    HG   SER  26           HG       SER  26   5.155  -2.033  -7.552
  207    H    GLN  27           H        GLN  27   1.507  -0.868  -4.670
  208    HA   GLN  27           HA       GLN  27   1.533   1.786  -5.978
  209    HB2  GLN  27           HB2      GLN  27  -0.877   0.655  -4.491
  210    HB3  GLN  27           HB3      GLN  27  -0.552   2.387  -4.645
  211    HG2  GLN  27           HG2      GLN  27  -0.585   2.215  -7.086
  212    HG3  GLN  27           HG3      GLN  27  -1.023   0.499  -6.962
  213   HE21  GLN  27          HE21      GLN  27  -2.556   2.523  -4.497
  214   HE22  GLN  27          HE22      GLN  27  -4.057   2.736  -5.402
  215    H    PHE  28           H        PHE  28   2.251   3.415  -4.711
  216    HA   PHE  28           HA       PHE  28   3.058   2.844  -1.955
  217    HB2  PHE  28           HB2      PHE  28   3.446   5.216  -3.756
  218    HB3  PHE  28           HB3      PHE  28   3.779   5.293  -2.025
  219    HD1  PHE  28           HD1      PHE  28   5.550   3.930  -0.967
  220    HD2  PHE  28           HD2      PHE  28   4.943   3.947  -5.239
  221    HE1  PHE  28           HE1      PHE  28   7.821   2.977  -1.298
  222    HE2  PHE  28           HE2      PHE  28   7.208   2.979  -5.563
  223    HZ   PHE  28           HZ       PHE  28   8.653   2.501  -3.595
  224    H    GLU  29           H        GLU  29   0.241   4.054  -3.383
  225    HA   GLU  29           HA       GLU  29  -0.782   5.161  -0.801
  226    HB2  GLU  29           HB2      GLU  29  -0.668   6.771  -2.633
  227    HB3  GLU  29           HB3      GLU  29  -1.652   5.712  -3.660
  228    HG2  GLU  29           HG2      GLU  29  -3.571   5.970  -2.171
  229    HG3  GLU  29           HG3      GLU  29  -2.591   6.863  -1.002
  230    H    ARG  30           H        ARG  30  -2.755   4.464  -0.007
  231    HA   ARG  30           HA       ARG  30  -3.351   1.739  -0.277
  232    HB2  ARG  30           HB2      ARG  30  -3.724   2.986   1.730
  233    HB3  ARG  30           HB3      ARG  30  -4.932   4.010   0.974
  234    HG2  ARG  30           HG2      ARG  30  -5.395   1.027   0.966
  235    HG3  ARG  30           HG3      ARG  30  -5.547   1.882   2.507
  236    HD2  ARG  30           HD2      ARG  30  -7.456   2.985   1.922
  237    HD3  ARG  30           HD3      ARG  30  -6.956   3.204   0.253
  238    HE   ARG  30           HE       ARG  30  -7.956   1.254  -0.391
  239   HH11  ARG  30          HH11      ARG  30  -7.857   1.081   3.129
  240   HH12  ARG  30          HH12      ARG  30  -8.922  -0.311   3.128
  241   HH21  ARG  30          HH21      ARG  30  -9.416  -0.347  -0.243
  242   HH22  ARG  30          HH22      ARG  30  -9.743  -1.089   1.322
  243    HA   PRO  31           HA       PRO  31  -5.572   1.926  -4.083
  244    HB2  PRO  31           HB2      PRO  31  -6.238  -0.702  -4.471
  245    HB3  PRO  31           HB3      PRO  31  -4.590  -0.007  -4.586
  246    HG2  PRO  31           HG2      PRO  31  -5.866  -1.392  -2.198
  247    HG3  PRO  31           HG3      PRO  31  -4.267  -1.745  -2.931
  248    HD2  PRO  31           HD2      PRO  31  -4.496  -0.152  -0.760
  249    HD3  PRO  31           HD3      PRO  31  -3.322   0.222  -2.057
  250    H    SER  32           H        SER  32  -7.548   2.079  -4.987
  251    HA   SER  32           HA       SER  32  -9.697   2.727  -5.020
  252    HB2  SER  32           HB2      SER  32 -10.093   0.271  -4.812
  253    HB3  SER  32           HB3      SER  32 -10.298   0.494  -3.063
  254    HG   SER  32           HG       SER  32 -11.964   2.010  -3.573
  255    H    GLY  33           H        GLY  33  -7.780   3.584  -2.768
  256    HA2  GLY  33           HA2      GLY  33  -9.283   4.515  -0.510
  257    HA3  GLY  33           HA3      GLY  33  -7.743   5.163  -1.075
  258    H1   GAL 101           H1       GAL  34  11.983   1.515   0.438
  259    H2   GAL 101           H2       GAL  34  13.449   3.978  -0.652
  260    H3   GAL 101           H3       GAL  34  10.611   2.920  -1.109
  261    H4   GAL 101           H4       GAL  34  11.313   2.423  -3.398
  262    H5   GAL 101           H5       GAL  34  11.697   0.609  -1.836
  263    H61  GAL 101           H61      GAL  34  12.567   0.062  -4.037
  264    H62  GAL 101           H62      GAL  34  14.094   0.907  -3.696
  265    HO2  GAL 101           H2O      GAL  34  12.711   4.509   1.347
  266    HO3  GAL 101           H3O      GAL  34  10.971   5.255  -1.183
  267    HO4  GAL 101           H4O      GAL  34  12.887   4.185  -3.380
  268    HO6  GAL 101           H6O      GAL  34  14.221  -0.561  -1.813
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1 -11.053  -4.677   4.285
    2    H2   LYS   1           H2       LYS   1 -10.317  -5.489   5.493
    3    H3   LYS   1           H3       LYS   1 -10.035  -5.912   3.938
    4    HA   LYS   1           HA       LYS   1  -9.281  -3.359   5.217
    5    HB2  LYS   1           HB2      LYS   1  -7.419  -5.543   4.206
    6    HB3  LYS   1           HB3      LYS   1  -6.954  -3.993   4.911
    7    HG2  LYS   1           HG2      LYS   1  -8.089  -4.762   7.065
    8    HG3  LYS   1           HG3      LYS   1  -8.223  -6.365   6.320
    9    HD2  LYS   1           HD2      LYS   1  -5.681  -4.806   6.942
   10    HD3  LYS   1           HD3      LYS   1  -6.227  -6.307   7.700
   11    HE2  LYS   1           HE2      LYS   1  -5.919  -7.513   5.537
   12    HE3  LYS   1           HE3      LYS   1  -5.409  -6.003   4.772
   13    HZ1  LYS   1           HZ1      LYS   1  -3.469  -7.162   5.342
   14    HZ2  LYS   1           HZ2      LYS   1  -3.561  -5.940   6.414
   15    HZ3  LYS   1           HZ3      LYS   1  -3.954  -7.459   6.887
   16    H    LEU   2           H        LEU   2  -8.376  -5.275   2.329
   17    HA   LEU   2           HA       LEU   2  -8.156  -2.777   0.724
   18    HB2  LEU   2           HB2      LEU   2  -6.450  -5.287   0.849
   19    HB3  LEU   2           HB3      LEU   2  -6.230  -4.011  -0.355
   20    HG   LEU   2           HG       LEU   2  -6.054  -3.375   2.608
   21   HD11  LEU   2          HD11      LEU   2  -4.445  -5.153   2.165
   22   HD12  LEU   2          HD12      LEU   2  -3.821  -4.266   0.751
   23   HD13  LEU   2          HD13      LEU   2  -3.619  -3.605   2.392
   24   HD21  LEU   2          HD21      LEU   2  -4.751  -1.483   1.822
   25   HD22  LEU   2          HD22      LEU   2  -4.795  -2.096   0.155
   26   HD23  LEU   2          HD23      LEU   2  -6.280  -1.501   0.933
   27    HA   PRO   3           HA       PRO   3 -10.655  -4.593  -2.418
   28    HB2  PRO   3           HB2      PRO   3  -8.794  -3.880  -4.618
   29    HB3  PRO   3           HB3      PRO   3 -10.442  -3.277  -4.286
   30    HG2  PRO   3           HG2      PRO   3  -8.201  -1.738  -3.889
   31    HG3  PRO   3           HG3      PRO   3  -9.655  -1.610  -2.838
   32    HD2  PRO   3           HD2      PRO   3  -7.105  -3.163  -2.364
   33    HD3  PRO   3           HD3      PRO   3  -7.971  -2.068  -1.248
   34    HA   PRO   4           HA       PRO   4  -9.711  -8.664  -3.517
   35    HB2  PRO   4           HB2      PRO   4 -10.146  -8.118  -6.462
   36    HB3  PRO   4           HB3      PRO   4 -10.760  -9.476  -5.462
   37    HG2  PRO   4           HG2      PRO   4 -12.374  -7.378  -5.992
   38    HG3  PRO   4           HG3      PRO   4 -12.294  -8.022  -4.317
   39    HD2  PRO   4           HD2      PRO   4 -10.894  -5.597  -5.472
   40    HD3  PRO   4           HD3      PRO   4 -11.758  -5.772  -3.912
   41    H    GLY   5           H        GLY   5  -7.825  -9.614  -3.371
   42    HA2  GLY   5           HA2      GLY   5  -5.808 -10.551  -4.041
   43    HA3  GLY   5           HA3      GLY   5  -5.778  -9.500  -5.467
   44    H    TRP   6           H        TRP   6  -6.201  -7.159  -3.305
   45    HA   TRP   6           HA       TRP   6  -3.358  -6.531  -3.150
   46    HB2  TRP   6           HB2      TRP   6  -5.826  -5.099  -2.212
   47    HB3  TRP   6           HB3      TRP   6  -4.190  -4.485  -1.958
   48    HD1  TRP   6           HD1      TRP   6  -6.841  -4.892  -4.615
   49    HE1  TRP   6           HE1      TRP   6  -6.257  -3.464  -6.670
   50    HE3  TRP   6           HE3      TRP   6  -2.007  -3.767  -3.419
   51    HZ2  TRP   6           HZ2      TRP   6  -3.885  -2.227  -7.771
   52    HZ3  TRP   6           HZ3      TRP   6  -0.578  -2.508  -5.025
   53    HH2  TRP   6           HH2      TRP   6  -1.501  -1.735  -7.193
   54    H    GLU   7           H        GLU   7  -1.991  -6.479  -1.456
   55    HA   GLU   7           HA       GLU   7  -2.952  -6.634   1.317
   56    HB2  GLU   7           HB2      GLU   7  -2.717  -9.004   0.580
   57    HB3  GLU   7           HB3      GLU   7  -1.033  -8.701   0.175
   58    HG2  GLU   7           HG2      GLU   7  -1.285  -9.879   2.315
   59    HG3  GLU   7           HG3      GLU   7  -0.488  -8.333   2.531
   60    H    LYS   8           H        LYS   8  -1.315  -6.054   2.881
   61    HA   LYS   8           HA       LYS   8   0.503  -3.979   1.996
   62    HB2  LYS   8           HB2      LYS   8  -0.107  -5.229   4.682
   63    HB3  LYS   8           HB3      LYS   8   1.269  -4.135   4.476
   64    HG2  LYS   8           HG2      LYS   8  -0.193  -2.374   3.577
   65    HG3  LYS   8           HG3      LYS   8  -1.594  -3.454   3.726
   66    HD2  LYS   8           HD2      LYS   8  -1.622  -1.923   5.580
   67    HD3  LYS   8           HD3      LYS   8  -1.215  -3.528   6.209
   68    HE2  LYS   8           HE2      LYS   8   1.200  -2.889   6.236
   69    HE3  LYS   8           HE3      LYS   8   0.785  -1.303   5.575
   70    HZ1  LYS   8           HZ1      LYS   8  -0.508  -0.876   7.596
   71    HZ2  LYS   8           HZ2      LYS   8  -0.131  -2.346   8.203
   72    HZ3  LYS   8           HZ3      LYS   8   1.037  -1.226   7.988
   73    H    ARG   9           H        ARG   9   2.588  -3.775   2.010
   74    HA   ARG   9           HA       ARG   9   4.467  -6.025   2.551
   75    HB2  ARG   9           HB2      ARG   9   4.460  -4.297   0.046
   76    HB3  ARG   9           HB3      ARG   9   5.716  -5.461   0.470
   77    HG2  ARG   9           HG2      ARG   9   2.842  -6.126  -0.250
   78    HG3  ARG   9           HG3      ARG   9   4.265  -6.290  -1.293
   79    HD2  ARG   9           HD2      ARG   9   5.277  -7.921   0.208
   80    HD3  ARG   9           HD3      ARG   9   3.917  -7.799   1.332
   81    HE   ARG   9           HE       ARG   9   3.952  -9.093  -1.343
   82   HH11  ARG   9          HH11      ARG   9   2.538 -10.755  -1.657
   83   HH12  ARG   9          HH12      ARG   9   1.215 -11.001  -0.554
   84   HH21  ARG   9          HH21      ARG   9   1.997  -8.364   1.500
   85   HH22  ARG   9          HH22      ARG   9   0.971  -9.749   1.219
   86    H    MET  10           H        MET  10   6.768  -5.191   2.543
   87    HA   MET  10           HA       MET  10   7.130  -2.331   2.998
   88    HB2  MET  10           HB2      MET  10   6.292  -3.207   5.217
   89    HB3  MET  10           HB3      MET  10   7.709  -4.259   5.280
   90    HG2  MET  10           HG2      MET  10   9.154  -2.175   5.149
   91    HG3  MET  10           HG3      MET  10   7.675  -1.219   5.192
   92    HE1  MET  10           HE1      MET  10   8.970  -4.421   7.254
   93    HE2  MET  10           HE2      MET  10  10.310  -3.259   7.110
   94    HE3  MET  10           HE3      MET  10   9.563  -3.569   8.693
   95    H    PHE  11           H        PHE  11   9.079  -1.677   2.480
   96    HA   PHE  11           HA       PHE  11  11.095  -3.458   1.409
   97    HB2  PHE  11           HB2      PHE  11  10.894  -0.477   1.793
   98    HB3  PHE  11           HB3      PHE  11  12.319  -1.252   1.085
   99    HD1  PHE  11           HD1      PHE  11  11.886  -2.822  -0.998
  100    HD2  PHE  11           HD2      PHE  11   9.168   0.229   0.388
  101    HE1  PHE  11           HE1      PHE  11  10.856  -2.699  -3.258
  102    HE2  PHE  11           HE2      PHE  11   8.155   0.355  -1.859
  103    HZ   PHE  11           HZ       PHE  11   8.997  -1.103  -3.697
  104    H    ALA  12           H        ALA  12  13.403  -3.381   1.951
  105    HA   ALA  12           HA       ALA  12  13.917  -4.028   4.670
  106    HB1  ALA  12           HB1      ALA  12  15.840  -3.274   2.424
  107    HB2  ALA  12           HB2      ALA  12  16.264  -4.139   3.916
  108    HB3  ALA  12           HB3      ALA  12  15.180  -4.898   2.737
  109    H    ASN  13           H        ASN  13  13.961  -0.908   3.115
  110    HA   ASN  13           HA       ASN  13  15.473   0.476   5.212
  111    HB2  ASN  13           HB2      ASN  13  14.880   2.505   3.914
  112    HB3  ASN  13           HB3      ASN  13  15.635   1.247   2.924
  113   HD21  ASN  13          HD21      ASN  13  14.702   2.549   1.161
  114    H    GLY  14           H        GLY  14  12.347  -0.774   5.205
  115    HA2  GLY  14           HA2      GLY  14  10.793  -0.590   6.927
  116    HA3  GLY  14           HA3      GLY  14  11.522   0.928   7.475
  117    H    THR  15           H        THR  15  10.798   0.851   4.063
  118    HA   THR  15           HA       THR  15   8.529   2.741   4.444
  119    HB   THR  15           HB       THR  15  10.192   1.857   2.053
  120    HG1  THR  15           HG1      THR  15  10.931   3.923   2.171
  121   HG21  THR  15          HG21      THR  15   9.063   3.684   0.784
  122   HG22  THR  15          HG22      THR  15   8.007   2.313   1.120
  123   HG23  THR  15          HG23      THR  15   7.857   3.805   2.085
  124    H    VAL  16           H        VAL  16   6.457   2.192   4.104
  125    HA   VAL  16           HA       VAL  16   5.764  -0.632   3.501
  126    HB   VAL  16           HB       VAL  16   4.246   1.715   4.697
  127   HG11  VAL  16          HG11      VAL  16   2.569   0.382   3.500
  128   HG12  VAL  16          HG12      VAL  16   3.191  -1.109   4.250
  129   HG13  VAL  16          HG13      VAL  16   2.419   0.152   5.237
  130   HG21  VAL  16          HG21      VAL  16   4.254   0.329   6.735
  131   HG22  VAL  16          HG22      VAL  16   5.138  -0.952   5.881
  132   HG23  VAL  16          HG23      VAL  16   5.909   0.621   6.185
  133    H    TYR  17           H        TYR  17   4.349  -1.255   1.913
  134    HA   TYR  17           HA       TYR  17   3.094   0.686   0.100
  135    HB2  TYR  17           HB2      TYR  17   4.067  -0.179  -1.922
  136    HB3  TYR  17           HB3      TYR  17   5.341   0.391  -0.885
  137    HD1  TYR  17           HD1      TYR  17   6.797  -1.286   0.370
  138    HD2  TYR  17           HD2      TYR  17   4.042  -2.452  -2.750
  139    HE1  TYR  17           HE1      TYR  17   8.131  -3.348  -0.056
  140    HE2  TYR  17           HE2      TYR  17   5.368  -4.499  -3.161
  141    HH   TYR  17           HH       TYR  17   7.257  -5.671  -2.626
  142    H    TYR  18           H        TYR  18   1.952  -0.721  -1.707
  143    HA   TYR  18           HA       TYR  18   0.601  -3.069  -0.435
  144    HB2  TYR  18           HB2      TYR  18  -0.604  -0.924  -2.225
  145    HB3  TYR  18           HB3      TYR  18  -1.448  -2.317  -1.534
  146    HD1  TYR  18           HD1      TYR  18  -1.966  -2.424   0.887
  147    HD2  TYR  18           HD2      TYR  18  -0.087   1.041  -0.863
  148    HE1  TYR  18           HE1      TYR  18  -2.496  -1.104   2.931
  149    HE2  TYR  18           HE2      TYR  18  -0.577   2.349   1.199
  150    HH   TYR  18           HH       TYR  18  -2.321   0.913   3.976
  151    H    PHE  19           H        PHE  19   0.206  -4.820  -1.720
  152    HA   PHE  19           HA       PHE  19   1.075  -4.782  -4.578
  153    HB2  PHE  19           HB2      PHE  19   2.998  -5.456  -3.289
  154    HB3  PHE  19           HB3      PHE  19   2.035  -6.668  -2.423
  155    HD1  PHE  19           HD1      PHE  19   3.181  -5.659  -5.800
  156    HD2  PHE  19           HD2      PHE  19   1.769  -8.907  -3.347
  157    HE1  PHE  19           HE1      PHE  19   3.627  -7.211  -7.639
  158    HE2  PHE  19           HE2      PHE  19   2.309 -10.504  -5.171
  159    HZ   PHE  19           HZ       PHE  19   3.232  -9.676  -7.326
  160    H    ASN  20           H        ASN  20  -0.129  -5.953  -5.957
  161    HA   ASN  20           HA       ASN  20  -2.393  -7.512  -4.833
  162    HB2  ASN  20           HB2      ASN  20  -2.766  -5.623  -6.478
  163    HB3  ASN  20           HB3      ASN  20  -2.000  -6.644  -7.707
  164   HD21  ASN  20          HD21      ASN  20  -5.862  -7.240  -6.799
  165   HD22  ASN  20          HD22      ASN  20  -4.957  -5.767  -6.477
  166    H    HIS  21           H        HIS  21  -2.124  -9.651  -4.634
  167    HA   HIS  21           HA       HIS  21   0.111 -11.009  -5.887
  168    HB2  HIS  21           HB2      HIS  21  -0.323 -12.732  -4.469
  169    HB3  HIS  21           HB3      HIS  21  -1.022 -11.393  -3.559
  170    HD2  HIS  21           HD2      HIS  21  -3.634 -11.531  -3.031
  171    HE1  HIS  21           HE1      HIS  21  -4.433 -15.273  -4.907
  172    HE2  HIS  21           HE2      HIS  21  -5.376 -13.477  -3.370
  173    H    ILE  22           H        ILE  22  -3.196 -10.579  -6.880
  174    HA   ILE  22           HA       ILE  22  -3.316 -12.930  -8.624
  175    HB   ILE  22           HB       ILE  22  -5.177 -10.522  -8.416
  176   HG12  ILE  22          HG12      ILE  22  -5.270 -13.182  -6.908
  177   HG13  ILE  22          HG13      ILE  22  -4.961 -11.588  -6.204
  178   HG21  ILE  22          HG21      ILE  22  -5.465 -11.860 -10.479
  179   HG22  ILE  22          HG22      ILE  22  -5.663 -13.329  -9.497
  180   HG23  ILE  22          HG23      ILE  22  -6.855 -12.010  -9.424
  181   HD11  ILE  22          HD11      ILE  22  -7.268 -10.875  -6.909
  182   HD12  ILE  22          HD12      ILE  22  -7.588 -12.575  -7.345
  183   HD13  ILE  22          HD13      ILE  22  -7.194 -12.149  -5.674
  184    H    THR  23           H        THR  23  -2.894  -9.425  -8.954
  185    HA   THR  23           HA       THR  23  -2.556  -9.655 -11.893
  186    HB   THR  23           HB       THR  23  -3.273  -7.445 -12.106
  187    HG1  THR  23           HG1      THR  23  -3.800  -6.447  -9.910
  188   HG21  THR  23          HG21      THR  23  -5.121  -9.039 -11.443
  189   HG22  THR  23          HG22      THR  23  -4.955  -8.451  -9.773
  190   HG23  THR  23          HG23      THR  23  -5.432  -7.334 -11.067
  191    H    ASN  24           H        ASN  24  -0.547  -9.277  -9.248
  192    HA   ASN  24           HA       ASN  24   1.530  -8.632  -8.863
  193    HB2  ASN  24           HB2      ASN  24   1.976  -8.787 -11.861
  194    HB3  ASN  24           HB3      ASN  24   3.235  -8.706 -10.621
  195   HD21  ASN  24          HD21      ASN  24   1.579 -10.859 -12.553
  196   HD22  ASN  24          HD22      ASN  24   1.862 -12.303 -11.573
  197    H    ALA  25           H        ALA  25  -0.624  -6.512  -9.660
  198    HA   ALA  25           HA       ALA  25   0.912  -4.150 -10.298
  199    HB1  ALA  25           HB1      ALA  25  -1.532  -4.326 -10.629
  200    HB2  ALA  25           HB2      ALA  25  -1.763  -4.446  -8.868
  201    HB3  ALA  25           HB3      ALA  25  -1.112  -2.958  -9.582
  202    H    SER  26           H        SER  26   1.525  -2.420  -8.902
  203    HA   SER  26           HA       SER  26   1.572  -2.898  -5.994
  204    HB2  SER  26           HB2      SER  26   3.909  -2.183  -5.768
  205    HB3  SER  26           HB3      SER  26   3.737  -3.738  -6.571
  206    HG   SER  26           HG       SER  26   4.139  -2.762  -8.537
  207    H    GLN  27           H        GLN  27   1.687  -1.007  -4.722
  208    HA   GLN  27           HA       GLN  27   1.911   1.635  -5.978
  209    HB2  GLN  27           HB2      GLN  27  -0.713   0.416  -5.406
  210    HB3  GLN  27           HB3      GLN  27  -0.484   1.886  -4.485
  211    HG2  GLN  27           HG2      GLN  27  -0.164   1.697  -7.500
  212    HG3  GLN  27           HG3      GLN  27  -1.603   2.253  -6.655
  213   HE21  GLN  27          HE21      GLN  27  -0.640   4.013  -8.442
  214   HE22  GLN  27          HE22      GLN  27   0.203   5.327  -7.612
  215    H    PHE  28           H        PHE  28   2.300   3.295  -4.571
  216    HA   PHE  28           HA       PHE  28   3.043   2.612  -1.793
  217    HB2  PHE  28           HB2      PHE  28   3.460   5.080  -3.487
  218    HB3  PHE  28           HB3      PHE  28   3.793   5.023  -1.753
  219    HD1  PHE  28           HD1      PHE  28   4.953   3.952  -5.068
  220    HD2  PHE  28           HD2      PHE  28   5.595   3.598  -0.816
  221    HE1  PHE  28           HE1      PHE  28   7.228   3.043  -5.485
  222    HE2  PHE  28           HE2      PHE  28   7.876   2.710  -1.242
  223    HZ   PHE  28           HZ       PHE  28   8.695   2.428  -3.571
  224    H    GLU  29           H        GLU  29   0.530   4.309  -3.520
  225    HA   GLU  29           HA       GLU  29  -0.749   5.406  -1.095
  226    HB2  GLU  29           HB2      GLU  29  -0.738   6.648  -3.210
  227    HB3  GLU  29           HB3      GLU  29  -1.597   5.324  -4.019
  228    HG2  GLU  29           HG2      GLU  29  -3.563   5.681  -2.612
  229    HG3  GLU  29           HG3      GLU  29  -2.698   6.876  -1.641
  230    H    ARG  30           H        ARG  30  -2.687   4.633  -0.182
  231    HA   ARG  30           HA       ARG  30  -3.144   1.830  -0.253
  232    HB2  ARG  30           HB2      ARG  30  -3.566   3.092   1.696
  233    HB3  ARG  30           HB3      ARG  30  -4.772   4.105   0.911
  234    HG2  ARG  30           HG2      ARG  30  -5.206   1.111   0.990
  235    HG3  ARG  30           HG3      ARG  30  -5.427   2.039   2.480
  236    HD2  ARG  30           HD2      ARG  30  -7.340   3.048   1.789
  237    HD3  ARG  30           HD3      ARG  30  -6.775   3.256   0.141
  238    HE   ARG  30           HE       ARG  30  -7.723   1.272  -0.511
  239   HH11  ARG  30          HH11      ARG  30  -9.597  -1.013   1.187
  240   HH12  ARG  30          HH12      ARG  30  -9.201  -0.309  -0.375
  241   HH21  ARG  30          HH21      ARG  30  -7.671   1.114   3.010
  242   HH22  ARG  30          HH22      ARG  30  -8.690  -0.316   2.990
  243    HA   PRO  31           HA       PRO  31  -5.234   1.767  -4.140
  244    HB2  PRO  31           HB2      PRO  31  -5.818  -0.902  -4.388
  245    HB3  PRO  31           HB3      PRO  31  -4.152  -0.243  -4.461
  246    HG2  PRO  31           HG2      PRO  31  -5.580  -1.404  -2.042
  247    HG3  PRO  31           HG3      PRO  31  -3.956  -1.837  -2.670
  248    HD2  PRO  31           HD2      PRO  31  -4.213  -0.079  -0.656
  249    HD3  PRO  31           HD3      PRO  31  -3.030   0.215  -1.964
  250    H    SER  32           H        SER  32  -7.215   1.949  -5.051
  251    HA   SER  32           HA       SER  32  -9.646   1.496  -3.396
  252    HB2  SER  32           HB2      SER  32 -10.731   2.985  -5.020
  253    HB3  SER  32           HB3      SER  32  -9.321   3.738  -4.255
  254    HG   SER  32           HG       SER  32  -9.362   4.062  -6.525
  255    H    GLY  33           H        GLY  33  -8.035   0.137  -6.161
  256    HA2  GLY  33           HA2      GLY  33  -9.684  -2.150  -6.408
  257    HA3  GLY  33           HA3      GLY  33 -10.250  -0.976  -7.597
  258    H1   GAL 101           H1       GAL  34  11.896   1.692   0.582
  259    H2   GAL 101           H2       GAL  34  13.491   4.068  -0.516
  260    H3   GAL 101           H3       GAL  34  10.698   3.114  -1.327
  261    H4   GAL 101           H4       GAL  34  11.679   2.453  -3.483
  262    H5   GAL 101           H5       GAL  34  11.637   0.751  -1.714
  263    H61  GAL 101           H61      GAL  34  13.260  -0.829  -2.519
  264    H62  GAL 101           H62      GAL  34  12.729   0.137  -3.912
  265    HO2  GAL 101           H2O      GAL  34  11.626   5.211   0.268
  266    HO3  GAL 101           H3O      GAL  34  12.360   4.937  -2.716
  267    HO4  GAL 101           H4O      GAL  34  14.166   2.422  -3.351
  268    HO6  GAL 101           H6O      GAL  34  15.098   0.496  -2.344
  Start of MODEL   18
    1    H1   LYS   1           H1       LYS   1 -10.858  -5.588   3.381
    2    H2   LYS   1           H2       LYS   1 -12.069  -5.025   4.325
    3    H3   LYS   1           H3       LYS   1 -12.184  -4.910   2.702
    4    HA   LYS   1           HA       LYS   1 -11.713  -2.786   3.632
    5    HB2  LYS   1           HB2      LYS   1  -9.568  -2.305   4.726
    6    HB3  LYS   1           HB3      LYS   1 -10.659  -3.313   5.662
    7    HG2  LYS   1           HG2      LYS   1  -9.313  -5.325   5.124
    8    HG3  LYS   1           HG3      LYS   1  -8.195  -4.325   4.174
    9    HD2  LYS   1           HD2      LYS   1  -7.701  -2.962   6.190
   10    HD3  LYS   1           HD3      LYS   1  -8.740  -4.014   7.157
   11    HE2  LYS   1           HE2      LYS   1  -6.261  -4.913   5.610
   12    HE3  LYS   1           HE3      LYS   1  -6.286  -4.513   7.330
   13    HZ1  LYS   1           HZ1      LYS   1  -7.877  -6.327   7.670
   14    HZ2  LYS   1           HZ2      LYS   1  -7.823  -6.728   6.084
   15    HZ3  LYS   1           HZ3      LYS   1  -6.494  -6.889   7.016
   16    H    LEU   2           H        LEU   2  -8.899  -4.660   2.330
   17    HA   LEU   2           HA       LEU   2  -8.467  -2.618   0.274
   18    HB2  LEU   2           HB2      LEU   2  -7.146  -5.278   0.926
   19    HB3  LEU   2           HB3      LEU   2  -6.650  -4.258  -0.429
   20    HG   LEU   2           HG       LEU   2  -6.600  -3.314   2.465
   21   HD11  LEU   2          HD11      LEU   2  -4.170  -3.653   2.337
   22   HD12  LEU   2          HD12      LEU   2  -5.028  -5.186   2.105
   23   HD13  LEU   2          HD13      LEU   2  -4.335  -4.338   0.703
   24   HD21  LEU   2          HD21      LEU   2  -5.121  -1.551   1.571
   25   HD22  LEU   2          HD22      LEU   2  -5.324  -2.197  -0.070
   26   HD23  LEU   2          HD23      LEU   2  -6.701  -1.470   0.794
   27    HA   PRO   3           HA       PRO   3 -10.797  -4.628  -2.961
   28    HB2  PRO   3           HB2      PRO   3  -8.721  -4.083  -4.994
   29    HB3  PRO   3           HB3      PRO   3 -10.365  -3.402  -4.844
   30    HG2  PRO   3           HG2      PRO   3  -8.104  -1.918  -4.349
   31    HG3  PRO   3           HG3      PRO   3  -9.652  -1.662  -3.474
   32    HD2  PRO   3           HD2      PRO   3  -7.237  -3.256  -2.601
   33    HD3  PRO   3           HD3      PRO   3  -8.172  -2.041  -1.685
   34    HA   PRO   4           HA       PRO   4  -9.591  -8.759  -3.455
   35    HB2  PRO   4           HB2      PRO   4  -9.994  -9.528  -6.094
   36    HB3  PRO   4           HB3      PRO   4 -11.272  -9.298  -4.860
   37    HG2  PRO   4           HG2      PRO   4 -10.316  -7.322  -6.950
   38    HG3  PRO   4           HG3      PRO   4 -12.002  -7.758  -6.511
   39    HD2  PRO   4           HD2      PRO   4 -10.857  -5.531  -5.538
   40    HD3  PRO   4           HD3      PRO   4 -11.877  -6.545  -4.470
   41    H    GLY   5           H        GLY   5  -7.734  -9.769  -3.373
   42    HA2  GLY   5           HA2      GLY   5  -5.660 -10.617  -3.958
   43    HA3  GLY   5           HA3      GLY   5  -5.665  -9.640  -5.438
   44    H    TRP   6           H        TRP   6  -6.233  -7.231  -3.376
   45    HA   TRP   6           HA       TRP   6  -3.417  -6.484  -3.171
   46    HB2  TRP   6           HB2      TRP   6  -5.961  -5.089  -2.392
   47    HB3  TRP   6           HB3      TRP   6  -4.355  -4.424  -2.092
   48    HD1  TRP   6           HD1      TRP   6  -6.803  -5.120  -4.903
   49    HE1  TRP   6           HE1      TRP   6  -6.154  -3.750  -6.983
   50    HE3  TRP   6           HE3      TRP   6  -2.145  -3.646  -3.427
   51    HZ2  TRP   6           HZ2      TRP   6  -3.793  -2.397  -7.962
   52    HZ3  TRP   6           HZ3      TRP   6  -0.677  -2.379  -4.987
   53    HH2  TRP   6           HH2      TRP   6  -1.490  -1.742  -7.243
   54    H    GLU   7           H        GLU   7  -2.122  -6.338  -1.494
   55    HA   GLU   7           HA       GLU   7  -3.056  -6.692   1.303
   56    HB2  GLU   7           HB2      GLU   7  -0.850  -8.298  -0.060
   57    HB3  GLU   7           HB3      GLU   7  -1.145  -8.232   1.688
   58    HG2  GLU   7           HG2      GLU   7  -3.416  -9.197   1.302
   59    HG3  GLU   7           HG3      GLU   7  -3.009  -9.395  -0.411
   60    H    LYS   8           H        LYS   8  -1.476  -5.919   2.880
   61    HA   LYS   8           HA       LYS   8   0.255  -3.744   1.919
   62    HB2  LYS   8           HB2      LYS   8  -0.435  -4.787   4.670
   63    HB3  LYS   8           HB3      LYS   8   0.959  -3.724   4.420
   64    HG2  LYS   8           HG2      LYS   8  -0.458  -2.028   3.335
   65    HG3  LYS   8           HG3      LYS   8  -1.871  -3.084   3.524
   66    HD2  LYS   8           HD2      LYS   8  -1.966  -1.424   5.249
   67    HD3  LYS   8           HD3      LYS   8  -1.549  -2.961   6.026
   68    HE2  LYS   8           HE2      LYS   8   0.866  -2.265   6.038
   69    HE3  LYS   8           HE3      LYS   8   0.416  -0.749   5.252
   70    HZ1  LYS   8           HZ1      LYS   8  -0.930  -0.208   7.208
   71    HZ2  LYS   8           HZ2      LYS   8  -0.525  -1.617   7.933
   72    HZ3  LYS   8           HZ3      LYS   8   0.615  -0.484   7.659
   73    H    ARG   9           H        ARG   9   2.376  -3.569   1.995
   74    HA   ARG   9           HA       ARG   9   4.129  -5.951   2.397
   75    HB2  ARG   9           HB2      ARG   9   3.127  -5.346  -0.125
   76    HB3  ARG   9           HB3      ARG   9   4.523  -4.299  -0.076
   77    HG2  ARG   9           HG2      ARG   9   5.549  -6.128  -0.936
   78    HG3  ARG   9           HG3      ARG   9   5.721  -6.599   0.762
   79    HD2  ARG   9           HD2      ARG   9   3.731  -7.567  -1.316
   80    HD3  ARG   9           HD3      ARG   9   4.954  -8.513  -0.446
   81    HE   ARG   9           HE       ARG   9   3.085  -7.394   1.427
   82   HH11  ARG   9          HH11      ARG   9   1.676 -10.686  -0.274
   83   HH12  ARG   9          HH12      ARG   9   3.074  -9.934  -1.017
   84   HH21  ARG   9          HH21      ARG   9   1.386  -8.401   2.237
   85   HH22  ARG   9          HH22      ARG   9   0.727  -9.841   1.456
   86    H    MET  10           H        MET  10   6.504  -5.267   2.183
   87    HA   MET  10           HA       MET  10   7.031  -2.449   2.798
   88    HB2  MET  10           HB2      MET  10   6.237  -3.471   4.966
   89    HB3  MET  10           HB3      MET  10   7.609  -4.580   4.889
   90    HG2  MET  10           HG2      MET  10   9.143  -2.566   4.891
   91    HG3  MET  10           HG3      MET  10   7.714  -1.545   5.035
   92    HE1  MET  10           HE1      MET  10   9.530  -4.238   8.322
   93    HE2  MET  10           HE2      MET  10   8.860  -4.952   6.841
   94    HE3  MET  10           HE3      MET  10  10.265  -3.864   6.749
   95    H    PHE  11           H        PHE  11   8.988  -1.815   2.293
   96    HA   PHE  11           HA       PHE  11  10.889  -3.564   0.981
   97    HB2  PHE  11           HB2      PHE  11  10.862  -0.613   1.631
   98    HB3  PHE  11           HB3      PHE  11  12.182  -1.402   0.762
   99    HD1  PHE  11           HD1      PHE  11  11.490  -2.828  -1.373
  100    HD2  PHE  11           HD2      PHE  11   9.117   0.338   0.350
  101    HE1  PHE  11           HE1      PHE  11  10.361  -2.471  -3.557
  102    HE2  PHE  11           HE2      PHE  11   8.019   0.706  -1.820
  103    HZ   PHE  11           HZ       PHE  11   8.635  -0.691  -3.793
  104    H    ALA  12           H        ALA  12  13.220  -3.595   1.411
  105    HA   ALA  12           HA       ALA  12  13.859  -4.476   4.035
  106    HB1  ALA  12           HB1      ALA  12  15.680  -3.560   1.763
  107    HB2  ALA  12           HB2      ALA  12  16.163  -4.554   3.154
  108    HB3  ALA  12           HB3      ALA  12  15.008  -5.196   1.972
  109    H    ASN  13           H        ASN  13  13.916  -1.231   2.729
  110    HA   ASN  13           HA       ASN  13  15.519  -0.091   4.912
  111    HB2  ASN  13           HB2      ASN  13  15.041   2.068   3.798
  112    HB3  ASN  13           HB3      ASN  13  15.728   0.856   2.707
  113   HD21  ASN  13          HD21      ASN  13  14.940   2.036   0.917
  114    H    GLY  14           H        GLY  14  12.418  -1.277   4.952
  115    HA2  GLY  14           HA2      GLY  14  10.900  -1.159   6.697
  116    HA3  GLY  14           HA3      GLY  14  11.698   0.288   7.339
  117    H    THR  15           H        THR  15  10.802   0.402   3.956
  118    HA   THR  15           HA       THR  15   8.690   2.410   4.527
  119    HB   THR  15           HB       THR  15  10.065   1.542   1.959
  120    HG1  THR  15           HG1      THR  15  11.466   2.567   3.109
  121   HG21  THR  15          HG21      THR  15   7.931   2.431   1.325
  122   HG22  THR  15          HG22      THR  15   8.108   3.806   2.452
  123   HG23  THR  15          HG23      THR  15   9.160   3.663   1.022
  124    H    VAL  16           H        VAL  16   6.558   1.993   4.300
  125    HA   VAL  16           HA       VAL  16   5.701  -0.737   3.498
  126    HB   VAL  16           HB       VAL  16   4.384   1.561   4.987
  127   HG11  VAL  16          HG11      VAL  16   3.066  -1.077   4.216
  128   HG12  VAL  16          HG12      VAL  16   2.438   0.102   5.391
  129   HG13  VAL  16          HG13      VAL  16   2.562   0.550   3.694
  130   HG21  VAL  16          HG21      VAL  16   5.036  -1.310   5.790
  131   HG22  VAL  16          HG22      VAL  16   5.966   0.131   6.267
  132   HG23  VAL  16          HG23      VAL  16   4.298  -0.077   6.828
  133    H    TYR  17           H        TYR  17   4.257  -1.165   1.914
  134    HA   TYR  17           HA       TYR  17   3.016   0.948   0.288
  135    HB2  TYR  17           HB2      TYR  17   3.938   0.190  -1.808
  136    HB3  TYR  17           HB3      TYR  17   5.234   0.672  -0.748
  137    HD1  TYR  17           HD1      TYR  17   6.653  -1.118   0.413
  138    HD2  TYR  17           HD2      TYR  17   3.930  -1.982  -2.829
  139    HE1  TYR  17           HE1      TYR  17   7.979  -3.143  -0.186
  140    HE2  TYR  17           HE2      TYR  17   5.239  -4.006  -3.395
  141    HH   TYR  17           HH       TYR  17   7.158  -5.188  -2.987
  142    H    TYR  18           H        TYR  18   1.793  -0.302  -1.596
  143    HA   TYR  18           HA       TYR  18   0.365  -2.648  -0.419
  144    HB2  TYR  18           HB2      TYR  18  -0.684  -0.466  -2.249
  145    HB3  TYR  18           HB3      TYR  18  -1.582  -1.890  -1.709
  146    HD1  TYR  18           HD1      TYR  18  -2.362  -2.115   0.622
  147    HD2  TYR  18           HD2      TYR  18  -0.228   1.390  -0.714
  148    HE1  TYR  18           HE1      TYR  18  -3.048  -0.896   2.691
  149    HE2  TYR  18           HE2      TYR  18  -0.894   2.593   1.360
  150    HH   TYR  18           HH       TYR  18  -2.022   2.462   3.339
  151    H    PHE  19           H        PHE  19   0.045  -4.439  -1.646
  152    HA   PHE  19           HA       PHE  19   1.052  -4.498  -4.452
  153    HB2  PHE  19           HB2      PHE  19   2.967  -4.962  -3.053
  154    HB3  PHE  19           HB3      PHE  19   2.059  -6.192  -2.160
  155    HD1  PHE  19           HD1      PHE  19   3.250  -5.263  -5.552
  156    HD2  PHE  19           HD2      PHE  19   2.012  -8.490  -2.975
  157    HE1  PHE  19           HE1      PHE  19   3.891  -6.871  -7.289
  158    HE2  PHE  19           HE2      PHE  19   2.742 -10.129  -4.695
  159    HZ   PHE  19           HZ       PHE  19   3.677  -9.337  -6.860
  160    H    ASN  20           H        ASN  20  -0.058  -5.780  -5.805
  161    HA   ASN  20           HA       ASN  20  -2.238  -7.441  -4.671
  162    HB2  ASN  20           HB2      ASN  20  -2.665  -5.700  -6.454
  163    HB3  ASN  20           HB3      ASN  20  -1.770  -6.736  -7.577
  164   HD21  ASN  20          HD21      ASN  20  -5.623  -7.541  -6.870
  165   HD22  ASN  20          HD22      ASN  20  -4.840  -5.993  -6.581
  166    H    HIS  21           H        HIS  21  -1.837  -9.537  -4.311
  167    HA   HIS  21           HA       HIS  21   0.564 -10.798  -5.356
  168    HB2  HIS  21           HB2      HIS  21   0.163 -12.489  -3.860
  169    HB3  HIS  21           HB3      HIS  21  -0.570 -11.105  -3.049
  170    HD2  HIS  21           HD2      HIS  21  -3.202 -11.237  -2.573
  171    HE1  HIS  21           HE1      HIS  21  -3.864 -15.167  -4.078
  172    HE2  HIS  21           HE2      HIS  21  -4.882 -13.257  -2.739
  173    H    ILE  22           H        ILE  22  -2.676 -10.643  -6.552
  174    HA   ILE  22           HA       ILE  22  -2.544 -13.117  -8.133
  175    HB   ILE  22           HB       ILE  22  -4.637 -10.899  -8.131
  176   HG12  ILE  22          HG12      ILE  22  -4.430 -13.379  -6.360
  177   HG13  ILE  22          HG13      ILE  22  -4.403 -11.690  -5.834
  178   HG21  ILE  22          HG21      ILE  22  -4.723 -12.450 -10.064
  179   HG22  ILE  22          HG22      ILE  22  -4.809 -13.831  -8.946
  180   HG23  ILE  22          HG23      ILE  22  -6.125 -12.634  -9.029
  181   HD11  ILE  22          HD11      ILE  22  -6.794 -13.212  -6.897
  182   HD12  ILE  22          HD12      ILE  22  -6.525 -12.551  -5.277
  183   HD13  ILE  22          HD13      ILE  22  -6.768 -11.446  -6.648
  184    H    THR  23           H        THR  23  -2.450  -9.606  -8.646
  185    HA   THR  23           HA       THR  23  -1.983  -9.963 -11.555
  186    HB   THR  23           HB       THR  23  -2.897  -7.856 -11.930
  187    HG1  THR  23           HG1      THR  23  -3.589  -6.791  -9.799
  188   HG21  THR  23          HG21      THR  23  -4.554  -8.861  -9.580
  189   HG22  THR  23          HG22      THR  23  -5.087  -7.873 -10.955
  190   HG23  THR  23          HG23      THR  23  -4.615  -9.563 -11.214
  191    H    ASN  24           H        ASN  24  -0.114  -9.252  -8.879
  192    HA   ASN  24           HA       ASN  24   1.887  -8.409  -8.476
  193    HB2  ASN  24           HB2      ASN  24   2.444  -8.655 -11.449
  194    HB3  ASN  24           HB3      ASN  24   3.647  -8.435 -10.171
  195   HD21  ASN  24          HD21      ASN  24   2.242 -10.773 -12.081
  196   HD22  ASN  24          HD22      ASN  24   2.589 -12.157 -11.040
  197    H    ALA  25           H        ALA  25  -0.417  -6.522  -9.458
  198    HA   ALA  25           HA       ALA  25   0.933  -4.069 -10.161
  199    HB1  ALA  25           HB1      ALA  25  -1.203  -3.024  -9.543
  200    HB2  ALA  25           HB2      ALA  25  -1.477  -4.469 -10.533
  201    HB3  ALA  25           HB3      ALA  25  -1.742  -4.531  -8.776
  202    H    SER  26           H        SER  26   1.359  -2.222  -8.821
  203    HA   SER  26           HA       SER  26   1.546  -2.628  -5.894
  204    HB2  SER  26           HB2      SER  26   3.878  -1.813  -5.853
  205    HB3  SER  26           HB3      SER  26   3.693  -3.395  -6.605
  206    HG   SER  26           HG       SER  26   3.902  -0.922  -8.010
  207    H    GLN  27           H        GLN  27   1.460  -0.751  -4.665
  208    HA   GLN  27           HA       GLN  27   1.639   1.908  -5.954
  209    HB2  GLN  27           HB2      GLN  27  -0.870   0.858  -4.576
  210    HB3  GLN  27           HB3      GLN  27  -0.472   2.578  -4.701
  211    HG2  GLN  27           HG2      GLN  27  -0.396   2.412  -7.148
  212    HG3  GLN  27           HG3      GLN  27  -0.940   0.724  -7.044
  213   HE21  GLN  27          HE21      GLN  27  -2.481   2.727  -4.604
  214   HE22  GLN  27          HE22      GLN  27  -3.914   3.087  -5.572
  215    H    PHE  28           H        PHE  28   2.238   3.559  -4.632
  216    HA   PHE  28           HA       PHE  28   2.997   2.955  -1.867
  217    HB2  PHE  28           HB2      PHE  28   3.381   5.363  -3.625
  218    HB3  PHE  28           HB3      PHE  28   3.680   5.415  -1.885
  219    HD1  PHE  28           HD1      PHE  28   4.934   4.161  -5.100
  220    HD2  PHE  28           HD2      PHE  28   5.451   4.057  -0.818
  221    HE1  PHE  28           HE1      PHE  28   7.227   3.250  -5.398
  222    HE2  PHE  28           HE2      PHE  28   7.749   3.162  -1.122
  223    HZ   PHE  28           HZ       PHE  28   8.641   2.759  -3.409
  224    H    GLU  29           H        GLU  29   0.215   4.179  -3.362
  225    HA   GLU  29           HA       GLU  29  -0.918   5.161  -0.784
  226    HB2  GLU  29           HB2      GLU  29  -0.871   6.952  -2.337
  227    HB3  GLU  29           HB3      GLU  29  -1.411   5.931  -3.657
  228    HG2  GLU  29           HG2      GLU  29  -3.130   7.479  -3.060
  229    HG3  GLU  29           HG3      GLU  29  -3.666   5.835  -2.778
  230    H    ARG  30           H        ARG  30  -3.012   4.550  -0.207
  231    HA   ARG  30           HA       ARG  30  -3.534   1.812  -0.400
  232    HB2  ARG  30           HB2      ARG  30  -4.198   3.095   1.470
  233    HB3  ARG  30           HB3      ARG  30  -5.276   4.113   0.527
  234    HG2  ARG  30           HG2      ARG  30  -5.781   1.132   0.578
  235    HG3  ARG  30           HG3      ARG  30  -6.148   2.073   2.031
  236    HD2  ARG  30           HD2      ARG  30  -7.949   3.118   1.126
  237    HD3  ARG  30           HD3      ARG  30  -7.197   3.307  -0.447
  238    HE   ARG  30           HE       ARG  30  -8.042   1.298  -1.191
  239   HH11  ARG  30          HH11      ARG  30  -9.886   0.074   2.102
  240   HH12  ARG  30          HH12      ARG  30  -8.744   1.393   2.261
  241   HH21  ARG  30          HH21      ARG  30 -10.257  -0.866   0.201
  242   HH22  ARG  30          HH22      ARG  30  -9.513  -0.258  -1.277
  243    HA   PRO  31           HA       PRO  31  -5.215   1.659  -4.486
  244    HB2  PRO  31           HB2      PRO  31  -5.745  -1.015  -4.735
  245    HB3  PRO  31           HB3      PRO  31  -4.084  -0.346  -4.634
  246    HG2  PRO  31           HG2      PRO  31  -5.775  -1.452  -2.360
  247    HG3  PRO  31           HG3      PRO  31  -4.093  -1.902  -2.789
  248    HD2  PRO  31           HD2      PRO  31  -4.554  -0.101  -0.869
  249    HD3  PRO  31           HD3      PRO  31  -3.244   0.173  -2.060
  250    H    SER  32           H        SER  32  -7.089   1.820  -5.604
  251    HA   SER  32           HA       SER  32  -9.668   1.470  -4.183
  252    HB2  SER  32           HB2      SER  32 -10.573   2.808  -6.039
  253    HB3  SER  32           HB3      SER  32  -9.246   3.623  -5.196
  254    HG   SER  32           HG       SER  32  -9.049   3.751  -7.479
  255    H    GLY  33           H        GLY  33  -7.837  -0.075  -6.728
  256    HA2  GLY  33           HA2      GLY  33  -9.443  -2.402  -6.929
  257    HA3  GLY  33           HA3      GLY  33  -9.945  -1.309  -8.218
  258    H1   GAL 101           H1       GAL  34  12.097   1.370   0.322
  259    H2   GAL 101           H2       GAL  34  13.815   3.622  -0.864
  260    H3   GAL 101           H3       GAL  34  11.024   2.668  -1.689
  261    H4   GAL 101           H4       GAL  34  12.034   1.882  -3.775
  262    H5   GAL 101           H5       GAL  34  11.944   0.271  -1.950
  263    H61  GAL 101           H61      GAL  34  13.019  -0.660  -3.921
  264    H62  GAL 101           H62      GAL  34  14.579   0.066  -3.474
  265    HO2  GAL 101           H2O      GAL  34  12.556   4.030   1.124
  266    HO3  GAL 101           H3O      GAL  34  11.584   4.946  -1.938
  267    HO4  GAL 101           H4O      GAL  34  13.767   3.481  -3.670
  268    HO6  GAL 101           H6O      GAL  34  14.322  -1.142  -1.440
  Start of MODEL   19
    1    H1   LYS   1           H1       LYS   1 -11.655  -5.781   5.298
    2    H2   LYS   1           H2       LYS   1 -11.915  -6.099   3.710
    3    H3   LYS   1           H3       LYS   1 -12.049  -4.570   4.269
    4    HA   LYS   1           HA       LYS   1  -9.724  -4.462   4.800
    5    HB2  LYS   1           HB2      LYS   1  -8.197  -6.241   4.170
    6    HB3  LYS   1           HB3      LYS   1  -9.378  -6.834   5.304
    7    HG2  LYS   1           HG2      LYS   1 -10.402  -8.246   3.793
    8    HG3  LYS   1           HG3      LYS   1  -9.995  -7.278   2.381
    9    HD2  LYS   1           HD2      LYS   1  -7.883  -8.802   3.962
   10    HD3  LYS   1           HD3      LYS   1  -8.788  -9.510   2.613
   11    HE2  LYS   1           HE2      LYS   1  -8.013  -7.737   1.097
   12    HE3  LYS   1           HE3      LYS   1  -7.112  -6.968   2.410
   13    HZ1  LYS   1           HZ1      LYS   1  -5.630  -8.814   2.509
   14    HZ2  LYS   1           HZ2      LYS   1  -6.554  -9.726   1.490
   15    HZ3  LYS   1           HZ3      LYS   1  -5.760  -8.400   0.943
   16    H    LEU   2           H        LEU   2  -7.909  -4.874   2.799
   17    HA   LEU   2           HA       LEU   2  -8.481  -3.021   0.765
   18    HB2  LEU   2           HB2      LEU   2  -6.472  -5.300   0.990
   19    HB3  LEU   2           HB3      LEU   2  -6.393  -4.086  -0.286
   20    HG   LEU   2           HG       LEU   2  -6.355  -3.233   2.627
   21   HD11  LEU   2          HD11      LEU   2  -3.999  -4.033   0.875
   22   HD12  LEU   2          HD12      LEU   2  -3.892  -3.205   2.447
   23   HD13  LEU   2          HD13      LEU   2  -4.546  -4.845   2.367
   24   HD21  LEU   2          HD21      LEU   2  -5.169  -2.020   0.104
   25   HD22  LEU   2          HD22      LEU   2  -6.726  -1.518   0.809
   26   HD23  LEU   2          HD23      LEU   2  -5.223  -1.277   1.714
   27    HA   PRO   3           HA       PRO   3 -10.743  -5.053  -2.373
   28    HB2  PRO   3           HB2      PRO   3  -8.942  -4.202  -4.578
   29    HB3  PRO   3           HB3      PRO   3 -10.635  -3.739  -4.255
   30    HG2  PRO   3           HG2      PRO   3  -8.515  -2.039  -3.860
   31    HG3  PRO   3           HG3      PRO   3  -9.996  -1.992  -2.840
   32    HD2  PRO   3           HD2      PRO   3  -7.332  -3.289  -2.277
   33    HD3  PRO   3           HD3      PRO   3  -8.357  -2.303  -1.192
   34    HA   PRO   4           HA       PRO   4  -9.550  -9.038  -3.570
   35    HB2  PRO   4           HB2      PRO   4  -9.984  -8.430  -6.504
   36    HB3  PRO   4           HB3      PRO   4 -10.517  -9.858  -5.555
   37    HG2  PRO   4           HG2      PRO   4 -12.263  -7.859  -6.039
   38    HG3  PRO   4           HG3      PRO   4 -12.157  -8.547  -4.383
   39    HD2  PRO   4           HD2      PRO   4 -10.912  -6.001  -5.449
   40    HD3  PRO   4           HD3      PRO   4 -11.774  -6.279  -3.903
   41    H    GLY   5           H        GLY   5  -7.631  -9.912  -3.460
   42    HA2  GLY   5           HA2      GLY   5  -5.526 -10.657  -4.064
   43    HA3  GLY   5           HA3      GLY   5  -5.542  -9.590  -5.482
   44    H    TRP   6           H        TRP   6  -6.199  -7.311  -3.314
   45    HA   TRP   6           HA       TRP   6  -3.408  -6.500  -3.064
   46    HB2  TRP   6           HB2      TRP   6  -5.981  -5.186  -2.208
   47    HB3  TRP   6           HB3      TRP   6  -4.378  -4.493  -1.950
   48    HD1  TRP   6           HD1      TRP   6  -6.951  -5.101  -4.652
   49    HE1  TRP   6           HE1      TRP   6  -6.341  -3.793  -6.774
   50    HE3  TRP   6           HE3      TRP   6  -2.219  -3.685  -3.348
   51    HZ2  TRP   6           HZ2      TRP   6  -3.942  -2.653  -7.910
   52    HZ3  TRP   6           HZ3      TRP   6  -0.759  -2.524  -5.000
   53    HH2  TRP   6           HH2      TRP   6  -1.604  -2.001  -7.274
   54    H    GLU   7           H        GLU   7  -2.138  -6.285  -1.313
   55    HA   GLU   7           HA       GLU   7  -3.227  -6.441   1.394
   56    HB2  GLU   7           HB2      GLU   7  -2.733  -8.828   0.694
   57    HB3  GLU   7           HB3      GLU   7  -1.041  -8.381   0.508
   58    HG2  GLU   7           HG2      GLU   7  -1.607  -9.551   2.657
   59    HG3  GLU   7           HG3      GLU   7  -0.808  -8.002   2.876
   60    H    LYS   8           H        LYS   8  -1.628  -5.723   3.037
   61    HA   LYS   8           HA       LYS   8   0.179  -3.651   2.066
   62    HB2  LYS   8           HB2      LYS   8  -0.436  -4.754   4.813
   63    HB3  LYS   8           HB3      LYS   8   0.944  -3.677   4.543
   64    HG2  LYS   8           HG2      LYS   8  -0.513  -1.962   3.548
   65    HG3  LYS   8           HG3      LYS   8  -1.913  -3.031   3.747
   66    HD2  LYS   8           HD2      LYS   8  -1.980  -1.430   5.520
   67    HD3  LYS   8           HD3      LYS   8  -1.521  -2.980   6.242
   68    HE2  LYS   8           HE2      LYS   8   0.885  -2.250   6.199
   69    HE3  LYS   8           HE3      LYS   8   0.386  -0.719   5.472
   70    HZ1  LYS   8           HZ1      LYS   8  -0.456  -1.679   8.155
   71    HZ2  LYS   8           HZ2      LYS   8   0.659  -0.519   7.877
   72    HZ3  LYS   8           HZ3      LYS   8  -0.903  -0.256   7.484
   73    H    ARG   9           H        ARG   9   2.288  -3.488   2.104
   74    HA   ARG   9           HA       ARG   9   4.035  -5.899   2.275
   75    HB2  ARG   9           HB2      ARG   9   2.865  -5.153  -0.096
   76    HB3  ARG   9           HB3      ARG   9   4.225  -4.057  -0.107
   77    HG2  ARG   9           HG2      ARG   9   4.789  -6.016  -1.363
   78    HG3  ARG   9           HG3      ARG   9   5.755  -6.081   0.129
   79    HD2  ARG   9           HD2      ARG   9   4.239  -7.747   1.080
   80    HD3  ARG   9           HD3      ARG   9   3.091  -7.513  -0.262
   81    HE   ARG   9           HE       ARG   9   5.736  -8.341  -1.161
   82   HH11  ARG   9          HH11      ARG   9   5.957 -10.302  -2.167
   83   HH12  ARG   9          HH12      ARG   9   4.732 -11.526  -1.971
   84   HH21  ARG   9          HH21      ARG   9   2.717  -9.639   0.061
   85   HH22  ARG   9          HH22      ARG   9   2.944 -11.164  -0.756
   86    H    MET  10           H        MET  10   6.399  -5.240   2.086
   87    HA   MET  10           HA       MET  10   6.987  -2.441   2.761
   88    HB2  MET  10           HB2      MET  10   6.209  -3.536   4.911
   89    HB3  MET  10           HB3      MET  10   7.586  -4.634   4.781
   90    HG2  MET  10           HG2      MET  10   9.102  -2.600   4.806
   91    HG3  MET  10           HG3      MET  10   7.666  -1.604   5.025
   92    HE1  MET  10           HE1      MET  10   9.612  -4.387   8.158
   93    HE2  MET  10           HE2      MET  10   8.918  -5.056   6.667
   94    HE3  MET  10           HE3      MET  10  10.299  -3.936   6.582
   95    H    PHE  11           H        PHE  11   8.956  -1.822   2.276
   96    HA   PHE  11           HA       PHE  11  10.819  -3.573   0.896
   97    HB2  PHE  11           HB2      PHE  11  10.804  -0.642   1.600
   98    HB3  PHE  11           HB3      PHE  11  12.148  -1.413   0.744
   99    HD1  PHE  11           HD1      PHE  11  11.561  -2.712  -1.467
  100    HD2  PHE  11           HD2      PHE  11   9.028   0.256   0.370
  101    HE1  PHE  11           HE1      PHE  11  10.417  -2.331  -3.643
  102    HE2  PHE  11           HE2      PHE  11   7.894   0.634  -1.793
  103    HZ   PHE  11           HZ       PHE  11   8.587  -0.653  -3.812
  104    H    ALA  12           H        ALA  12  13.143  -3.678   1.332
  105    HA   ALA  12           HA       ALA  12  13.752  -4.612   3.948
  106    HB1  ALA  12           HB1      ALA  12  15.601  -3.724   1.688
  107    HB2  ALA  12           HB2      ALA  12  16.054  -4.746   3.068
  108    HB3  ALA  12           HB3      ALA  12  14.883  -5.342   1.879
  109    H    ASN  13           H        ASN  13  13.875  -1.362   2.683
  110    HA   ASN  13           HA       ASN  13  15.542  -0.259   4.832
  111    HB2  ASN  13           HB2      ASN  13  15.054   1.902   3.746
  112    HB3  ASN  13           HB3      ASN  13  15.654   0.693   2.600
  113   HD21  ASN  13          HD21      ASN  13  14.752   2.175   0.992
  114    H    GLY  14           H        GLY  14  12.355  -1.339   4.848
  115    HA2  GLY  14           HA2      GLY  14  10.901  -1.251   6.660
  116    HA3  GLY  14           HA3      GLY  14  11.733   0.171   7.309
  117    H    THR  15           H        THR  15  10.823   0.485   3.956
  118    HA   THR  15           HA       THR  15   8.659   2.405   4.668
  119    HB   THR  15           HB       THR  15  10.170   1.733   2.114
  120    HG1  THR  15           HG1      THR  15  10.925   3.787   2.399
  121   HG21  THR  15          HG21      THR  15   9.035   3.709   1.091
  122   HG22  THR  15          HG22      THR  15   7.959   2.331   1.326
  123   HG23  THR  15          HG23      THR  15   7.885   3.712   2.448
  124    H    VAL  16           H        VAL  16   6.552   1.981   4.386
  125    HA   VAL  16           HA       VAL  16   5.692  -0.723   3.507
  126    HB   VAL  16           HB       VAL  16   4.379   1.527   5.071
  127   HG11  VAL  16          HG11      VAL  16   2.552   0.521   3.781
  128   HG12  VAL  16          HG12      VAL  16   3.079  -1.110   4.267
  129   HG13  VAL  16          HG13      VAL  16   2.455   0.041   5.470
  130   HG21  VAL  16          HG21      VAL  16   4.333  -0.150   6.879
  131   HG22  VAL  16          HG22      VAL  16   5.082  -1.349   5.808
  132   HG23  VAL  16          HG23      VAL  16   5.992   0.097   6.307
  133    H    TYR  17           H        TYR  17   4.179  -1.089   1.952
  134    HA   TYR  17           HA       TYR  17   2.929   1.050   0.377
  135    HB2  TYR  17           HB2      TYR  17   3.889   0.404  -1.726
  136    HB3  TYR  17           HB3      TYR  17   5.192   0.802  -0.645
  137    HD1  TYR  17           HD1      TYR  17   6.559  -1.106   0.420
  138    HD2  TYR  17           HD2      TYR  17   3.795  -1.695  -2.840
  139    HE1  TYR  17           HE1      TYR  17   7.776  -3.170  -0.245
  140    HE2  TYR  17           HE2      TYR  17   4.981  -3.797  -3.463
  141    HH   TYR  17           HH       TYR  17   7.964  -4.832  -1.789
  142    H    TYR  18           H        TYR  18   1.716  -0.222  -1.542
  143    HA   TYR  18           HA       TYR  18   0.340  -2.591  -0.336
  144    HB2  TYR  18           HB2      TYR  18  -0.733  -0.477  -2.230
  145    HB3  TYR  18           HB3      TYR  18  -1.619  -1.885  -1.625
  146    HD1  TYR  18           HD1      TYR  18  -2.245  -2.062   0.791
  147    HD2  TYR  18           HD2      TYR  18  -0.384   1.475  -0.836
  148    HE1  TYR  18           HE1      TYR  18  -2.918  -0.766   2.817
  149    HE2  TYR  18           HE2      TYR  18  -1.041   2.760   1.193
  150    HH   TYR  18           HH       TYR  18  -2.082   2.682   3.222
  151    H    PHE  19           H        PHE  19   0.076  -4.431  -1.514
  152    HA   PHE  19           HA       PHE  19   1.074  -4.497  -4.327
  153    HB2  PHE  19           HB2      PHE  19   2.968  -5.013  -2.953
  154    HB3  PHE  19           HB3      PHE  19   2.041  -6.216  -2.044
  155    HD1  PHE  19           HD1      PHE  19   3.192  -5.346  -5.458
  156    HD2  PHE  19           HD2      PHE  19   1.980  -8.532  -2.817
  157    HE1  PHE  19           HE1      PHE  19   3.779  -6.975  -7.188
  158    HE2  PHE  19           HE2      PHE  19   2.653 -10.193  -4.532
  159    HZ   PHE  19           HZ       PHE  19   3.545  -9.437  -6.729
  160    H    ASN  20           H        ASN  20   0.046  -5.794  -5.721
  161    HA   ASN  20           HA       ASN  20  -2.217  -7.415  -4.680
  162    HB2  ASN  20           HB2      ASN  20  -2.584  -5.604  -6.398
  163    HB3  ASN  20           HB3      ASN  20  -1.674  -6.598  -7.547
  164   HD21  ASN  20          HD21      ASN  20  -4.747  -5.831  -6.740
  165   HD22  ASN  20          HD22      ASN  20  -5.544  -7.355  -7.079
  166    H    HIS  21           H        HIS  21  -1.844  -9.528  -4.386
  167    HA   HIS  21           HA       HIS  21   0.519 -10.809  -5.492
  168    HB2  HIS  21           HB2      HIS  21   0.136 -12.473  -4.000
  169    HB3  HIS  21           HB3      HIS  21  -0.704 -11.154  -3.190
  170    HD2  HIS  21           HD2      HIS  21  -3.335 -11.443  -2.815
  171    HE1  HIS  21           HE1      HIS  21  -3.763 -15.321  -4.529
  172    HE2  HIS  21           HE2      HIS  21  -4.919 -13.521  -3.150
  173    H    ILE  22           H        ILE  22  -2.763 -10.575  -6.614
  174    HA   ILE  22           HA       ILE  22  -2.714 -12.987  -8.281
  175    HB   ILE  22           HB       ILE  22  -4.683 -10.653  -8.164
  176   HG12  ILE  22          HG12      ILE  22  -4.671 -13.338  -6.695
  177   HG13  ILE  22          HG13      ILE  22  -4.527 -11.732  -5.972
  178   HG21  ILE  22          HG21      ILE  22  -4.840 -11.956 -10.265
  179   HG22  ILE  22          HG22      ILE  22  -5.003 -13.456  -9.322
  180   HG23  ILE  22          HG23      ILE  22  -6.257 -12.195  -9.266
  181   HD11  ILE  22          HD11      ILE  22  -6.857 -11.213  -6.792
  182   HD12  ILE  22          HD12      ILE  22  -7.007 -12.933  -7.237
  183   HD13  ILE  22          HD13      ILE  22  -6.733 -12.476  -5.550
  184    H    THR  23           H        THR  23  -2.429  -9.481  -8.712
  185    HA   THR  23           HA       THR  23  -1.967  -9.797 -11.626
  186    HB   THR  23           HB       THR  23  -2.798  -7.645 -11.955
  187    HG1  THR  23           HG1      THR  23  -3.455  -6.593  -9.815
  188   HG21  THR  23          HG21      THR  23  -4.584  -9.305 -11.291
  189   HG22  THR  23          HG22      THR  23  -4.510  -8.648  -9.639
  190   HG23  THR  23          HG23      THR  23  -4.996  -7.607 -10.990
  191    H    ASN  24           H        ASN  24  -0.084  -9.213  -8.928
  192    HA   ASN  24           HA       ASN  24   1.938  -8.438  -8.492
  193    HB2  ASN  24           HB2      ASN  24   2.504  -8.685 -11.463
  194    HB3  ASN  24           HB3      ASN  24   3.711  -8.477 -10.187
  195   HD21  ASN  24          HD21      ASN  24   2.288 -10.804 -12.085
  196   HD22  ASN  24          HD22      ASN  24   2.604 -12.186 -11.029
  197    H    ALA  25           H        ALA  25  -0.296  -6.474  -9.486
  198    HA   ALA  25           HA       ALA  25   1.143  -4.052 -10.127
  199    HB1  ALA  25           HB1      ALA  25  -1.260  -4.382 -10.599
  200    HB2  ALA  25           HB2      ALA  25  -1.596  -4.456  -8.854
  201    HB3  ALA  25           HB3      ALA  25  -0.985  -2.956  -9.583
  202    H    SER  26           H        SER  26   1.544  -2.229  -8.749
  203    HA   SER  26           HA       SER  26   1.534  -2.652  -5.831
  204    HB2  SER  26           HB2      SER  26   3.850  -1.978  -5.539
  205    HB3  SER  26           HB3      SER  26   3.722  -3.488  -6.445
  206    HG   SER  26           HG       SER  26   4.166  -2.395  -8.329
  207    H    GLN  27           H        GLN  27   1.526  -0.735  -4.601
  208    HA   GLN  27           HA       GLN  27   1.681   1.896  -5.958
  209    HB2  GLN  27           HB2      GLN  27  -0.810   0.876  -4.528
  210    HB3  GLN  27           HB3      GLN  27  -0.445   2.589  -4.805
  211    HG2  GLN  27           HG2      GLN  27  -0.459   2.289  -7.193
  212    HG3  GLN  27           HG3      GLN  27  -0.844   0.561  -7.008
  213   HE21  GLN  27          HE21      GLN  27  -2.496   2.583  -4.653
  214   HE22  GLN  27          HE22      GLN  27  -3.997   2.709  -5.572
  215    H    PHE  28           H        PHE  28   2.272   3.573  -4.687
  216    HA   PHE  28           HA       PHE  28   2.944   3.086  -1.873
  217    HB2  PHE  28           HB2      PHE  28   3.432   5.402  -3.729
  218    HB3  PHE  28           HB3      PHE  28   3.700   5.514  -1.987
  219    HD1  PHE  28           HD1      PHE  28   5.384   4.085  -0.830
  220    HD2  PHE  28           HD2      PHE  28   5.012   4.171  -5.128
  221    HE1  PHE  28           HE1      PHE  28   7.660   3.115  -1.051
  222    HE2  PHE  28           HE2      PHE  28   7.282   3.188  -5.343
  223    HZ   PHE  28           HZ       PHE  28   8.613   2.667  -3.307
  224    H    GLU  29           H        GLU  29   0.231   4.252  -3.505
  225    HA   GLU  29           HA       GLU  29  -0.993   5.345  -1.007
  226    HB2  GLU  29           HB2      GLU  29  -0.923   7.082  -2.629
  227    HB3  GLU  29           HB3      GLU  29  -1.383   5.995  -3.930
  228    HG2  GLU  29           HG2      GLU  29  -3.156   7.536  -3.462
  229    HG3  GLU  29           HG3      GLU  29  -3.671   5.887  -3.159
  230    H    ARG  30           H        ARG  30  -3.196   4.684  -0.545
  231    HA   ARG  30           HA       ARG  30  -3.408   1.899  -0.792
  232    HB2  ARG  30           HB2      ARG  30  -5.567   2.008   0.331
  233    HB3  ARG  30           HB3      ARG  30  -4.291   2.907   1.105
  234    HG2  ARG  30           HG2      ARG  30  -6.275   4.134   1.369
  235    HG3  ARG  30           HG3      ARG  30  -5.235   5.046   0.273
  236    HD2  ARG  30           HD2      ARG  30  -7.683   5.074  -0.288
  237    HD3  ARG  30           HD3      ARG  30  -6.649   4.572  -1.597
  238    HE   ARG  30           HE       ARG  30  -7.590   2.422  -1.559
  239   HH11  ARG  30          HH11      ARG  30  -8.785   4.108   1.290
  240   HH12  ARG  30          HH12      ARG  30  -9.956   2.855   1.609
  241   HH21  ARG  30          HH21      ARG  30 -10.094   1.081   0.283
  242   HH22  ARG  30          HH22      ARG  30  -8.999   0.932  -1.088
  243    HA   PRO  31           HA       PRO  31  -5.425   1.216  -4.686
  244    HB2  PRO  31           HB2      PRO  31  -6.066  -1.409  -4.464
  245    HB3  PRO  31           HB3      PRO  31  -4.362  -0.848  -4.572
  246    HG2  PRO  31           HG2      PRO  31  -5.962  -1.508  -2.073
  247    HG3  PRO  31           HG3      PRO  31  -4.330  -2.109  -2.513
  248    HD2  PRO  31           HD2      PRO  31  -4.652   0.001  -0.857
  249    HD3  PRO  31           HD3      PRO  31  -3.338  -0.030  -2.075
  250    H    SER  32           H        SER  32  -7.462   0.818  -5.647
  251    HA   SER  32           HA       SER  32  -9.839   0.578  -3.841
  252    HB2  SER  32           HB2      SER  32  -9.432   2.610  -6.058
  253    HB3  SER  32           HB3      SER  32 -10.970   2.308  -5.230
  254    HG   SER  32           HG       SER  32  -9.798   4.043  -4.302
  255    H    GLY  33           H        GLY  33  -8.321  -0.965  -6.308
  256    HA2  GLY  33           HA2      GLY  33 -10.194  -2.875  -6.876
  257    HA3  GLY  33           HA3      GLY  33 -10.576  -1.621  -8.059
  258    H1   GAL 101           H1       GAL  34  11.848   1.625   0.547
  259    H2   GAL 101           H2       GAL  34  13.483   4.029  -0.430
  260    H3   GAL 101           H3       GAL  34  10.554   3.277  -0.907
  261    H4   GAL 101           H4       GAL  34  11.173   2.886  -3.244
  262    H5   GAL 101           H5       GAL  34  11.346   0.961  -1.761
  263    H61  GAL 101           H61      GAL  34  12.869  -0.508  -2.946
  264    H62  GAL 101           H62      GAL  34  12.089   0.587  -4.106
  265    HO2  GAL 101           H2O      GAL  34  12.811   4.464   1.617
  266    HO3  GAL 101           H3O      GAL  34  11.140   5.561  -0.830
  267    HO4  GAL 101           H4O      GAL  34  12.943   4.448  -3.129
  268    HO6  GAL 101           H6O      GAL  34  14.053   1.964  -3.588
  Start of MODEL   20
    1    H1   LYS   1           H1       LYS   1 -11.779  -3.283   4.159
    2    H2   LYS   1           H2       LYS   1 -11.753  -4.566   5.173
    3    H3   LYS   1           H3       LYS   1 -11.843  -4.807   3.557
    4    HA   LYS   1           HA       LYS   1  -9.578  -3.606   5.001
    5    HB2  LYS   1           HB2      LYS   1  -9.713  -5.957   5.513
    6    HB3  LYS   1           HB3      LYS   1  -9.849  -6.386   3.811
    7    HG2  LYS   1           HG2      LYS   1  -7.536  -5.629   3.405
    8    HG3  LYS   1           HG3      LYS   1  -7.396  -5.088   5.088
    9    HD2  LYS   1           HD2      LYS   1  -7.491  -7.360   5.898
   10    HD3  LYS   1           HD3      LYS   1  -8.081  -7.960   4.344
   11    HE2  LYS   1           HE2      LYS   1  -5.777  -8.603   4.557
   12    HE3  LYS   1           HE3      LYS   1  -5.938  -7.415   3.264
   13    HZ1  LYS   1           HZ1      LYS   1  -4.043  -6.908   4.603
   14    HZ2  LYS   1           HZ2      LYS   1  -5.138  -5.720   4.862
   15    HZ3  LYS   1           HZ3      LYS   1  -4.911  -6.885   5.996
   16    H    LEU   2           H        LEU   2  -9.456  -5.377   1.929
   17    HA   LEU   2           HA       LEU   2  -8.669  -2.926   0.461
   18    HB2  LEU   2           HB2      LEU   2  -7.090  -5.497   0.880
   19    HB3  LEU   2           HB3      LEU   2  -6.709  -4.338  -0.395
   20    HG   LEU   2           HG       LEU   2  -6.695  -3.551   2.537
   21   HD11  LEU   2          HD11      LEU   2  -4.373  -4.408   0.775
   22   HD12  LEU   2          HD12      LEU   2  -4.258  -3.770   2.430
   23   HD13  LEU   2          HD13      LEU   2  -5.037  -5.337   2.136
   24   HD21  LEU   2          HD21      LEU   2  -5.340  -2.316   0.112
   25   HD22  LEU   2          HD22      LEU   2  -6.879  -1.740   0.785
   26   HD23  LEU   2          HD23      LEU   2  -5.413  -1.658   1.763
   27    HA   PRO   3           HA       PRO   3 -10.854  -4.777  -2.904
   28    HB2  PRO   3           HB2      PRO   3  -8.838  -3.961  -4.917
   29    HB3  PRO   3           HB3      PRO   3 -10.520  -3.404  -4.708
   30    HG2  PRO   3           HG2      PRO   3  -8.351  -1.833  -4.106
   31    HG3  PRO   3           HG3      PRO   3  -9.896  -1.737  -3.193
   32    HD2  PRO   3           HD2      PRO   3  -7.368  -3.232  -2.478
   33    HD3  PRO   3           HD3      PRO   3  -8.380  -2.178  -1.449
   34    HA   PRO   4           HA       PRO   4  -9.658  -8.784  -3.982
   35    HB2  PRO   4           HB2      PRO   4  -9.777  -8.186  -6.948
   36    HB3  PRO   4           HB3      PRO   4 -10.453  -9.584  -6.047
   37    HG2  PRO   4           HG2      PRO   4 -12.067  -7.528  -6.717
   38    HG3  PRO   4           HG3      PRO   4 -12.153  -8.205  -5.055
   39    HD2  PRO   4           HD2      PRO   4 -10.714  -5.714  -6.002
   40    HD3  PRO   4           HD3      PRO   4 -11.741  -5.949  -4.553
   41    H    GLY   5           H        GLY   5  -7.768  -9.654  -3.616
   42    HA2  GLY   5           HA2      GLY   5  -5.665 -10.524  -4.030
   43    HA3  GLY   5           HA3      GLY   5  -5.531  -9.527  -5.492
   44    H    TRP   6           H        TRP   6  -6.232  -7.168  -3.378
   45    HA   TRP   6           HA       TRP   6  -3.441  -6.396  -3.097
   46    HB2  TRP   6           HB2      TRP   6  -6.025  -5.076  -2.319
   47    HB3  TRP   6           HB3      TRP   6  -4.438  -4.373  -1.977
   48    HD1  TRP   6           HD1      TRP   6  -6.899  -4.973  -4.774
   49    HE1  TRP   6           HE1      TRP   6  -6.176  -3.733  -6.903
   50    HE3  TRP   6           HE3      TRP   6  -2.194  -3.633  -3.328
   51    HZ2  TRP   6           HZ2      TRP   6  -3.737  -2.635  -7.961
   52    HZ3  TRP   6           HZ3      TRP   6  -0.648  -2.546  -4.954
   53    HH2  TRP   6           HH2      TRP   6  -1.401  -2.050  -7.267
   54    H    GLU   7           H        GLU   7  -2.140  -6.290  -1.393
   55    HA   GLU   7           HA       GLU   7  -3.110  -6.468   1.366
   56    HB2  GLU   7           HB2      GLU   7  -2.918  -8.798   0.867
   57    HB3  GLU   7           HB3      GLU   7  -1.385  -8.572   0.046
   58    HG2  GLU   7           HG2      GLU   7  -1.123  -9.746   2.138
   59    HG3  GLU   7           HG3      GLU   7  -0.213  -8.252   2.107
   60    H    LYS   8           H        LYS   8  -1.535  -5.782   2.928
   61    HA   LYS   8           HA       LYS   8   0.343  -3.773   1.929
   62    HB2  LYS   8           HB2      LYS   8  -0.373  -4.744   4.705
   63    HB3  LYS   8           HB3      LYS   8   1.005  -3.664   4.425
   64    HG2  LYS   8           HG2      LYS   8  -0.423  -2.012   3.321
   65    HG3  LYS   8           HG3      LYS   8  -1.819  -3.096   3.477
   66    HD2  LYS   8           HD2      LYS   8  -2.007  -1.430   5.186
   67    HD3  LYS   8           HD3      LYS   8  -1.578  -2.951   5.985
   68    HE2  LYS   8           HE2      LYS   8   0.820  -2.194   6.059
   69    HE3  LYS   8           HE3      LYS   8   0.350  -0.693   5.257
   70    HZ1  LYS   8           HZ1      LYS   8  -0.639  -1.579   7.915
   71    HZ2  LYS   8           HZ2      LYS   8   0.477  -0.414   7.665
   72    HZ3  LYS   8           HZ3      LYS   8  -1.063  -0.185   7.173
   73    H    ARG   9           H        ARG   9   2.455  -3.646   2.020
   74    HA   ARG   9           HA       ARG   9   4.176  -5.967   2.704
   75    HB2  ARG   9           HB2      ARG   9   3.298  -6.193   0.330
   76    HB3  ARG   9           HB3      ARG   9   4.170  -4.722  -0.088
   77    HG2  ARG   9           HG2      ARG   9   6.295  -5.774   0.265
   78    HG3  ARG   9           HG3      ARG   9   5.573  -7.138   1.145
   79    HD2  ARG   9           HD2      ARG   9   4.988  -6.565  -1.788
   80    HD3  ARG   9           HD3      ARG   9   6.341  -7.577  -1.229
   81    HE   ARG   9           HE       ARG   9   3.705  -8.332  -0.165
   82   HH11  ARG   9          HH11      ARG   9   2.975 -10.384  -0.557
   83   HH12  ARG   9          HH12      ARG   9   3.707 -11.343  -1.812
   84   HH21  ARG   9          HH21      ARG   9   5.979  -8.964  -2.759
   85   HH22  ARG   9          HH22      ARG   9   5.357 -10.571  -3.023
   86    H    MET  10           H        MET  10   6.585  -5.284   2.306
   87    HA   MET  10           HA       MET  10   7.067  -2.427   2.847
   88    HB2  MET  10           HB2      MET  10   6.313  -3.432   5.020
   89    HB3  MET  10           HB3      MET  10   7.645  -4.584   4.912
   90    HG2  MET  10           HG2      MET  10   9.202  -2.531   4.830
   91    HG3  MET  10           HG3      MET  10   7.799  -1.578   5.299
   92    HE1  MET  10           HE1      MET  10   6.258  -3.359   7.403
   93    HE2  MET  10           HE2      MET  10   7.066  -2.944   8.928
   94    HE3  MET  10           HE3      MET  10   6.695  -1.668   7.754
   95    H    PHE  11           H        PHE  11   8.998  -1.776   2.290
   96    HA   PHE  11           HA       PHE  11  10.901  -3.501   0.948
   97    HB2  PHE  11           HB2      PHE  11  10.810  -0.553   1.585
   98    HB3  PHE  11           HB3      PHE  11  12.150  -1.306   0.707
   99    HD1  PHE  11           HD1      PHE  11  11.531  -2.673  -1.456
  100    HD2  PHE  11           HD2      PHE  11   8.983   0.280   0.384
  101    HE1  PHE  11           HE1      PHE  11  10.328  -2.362  -3.609
  102    HE2  PHE  11           HE2      PHE  11   7.786   0.586  -1.761
  103    HZ   PHE  11           HZ       PHE  11   8.458  -0.727  -3.767
  104    H    ALA  12           H        ALA  12  13.239  -3.509   1.347
  105    HA   ALA  12           HA       ALA  12  13.910  -4.386   3.963
  106    HB1  ALA  12           HB1      ALA  12  16.204  -4.458   3.059
  107    HB2  ALA  12           HB2      ALA  12  15.039  -5.100   1.888
  108    HB3  ALA  12           HB3      ALA  12  15.706  -3.463   1.675
  109    H    ASN  13           H        ASN  13  13.911  -1.143   2.681
  110    HA   ASN  13           HA       ASN  13  15.574   0.026   4.799
  111    HB2  ASN  13           HB2      ASN  13  14.983   2.169   3.706
  112    HB3  ASN  13           HB3      ASN  13  15.644   0.977   2.575
  113   HD21  ASN  13          HD21      ASN  13  14.684   2.374   0.936
  114    H    GLY  14           H        GLY  14  12.421  -1.148   4.862
  115    HA2  GLY  14           HA2      GLY  14  10.997  -1.092   6.700
  116    HA3  GLY  14           HA3      GLY  14  11.781   0.372   7.314
  117    H    THR  15           H        THR  15  10.815   0.590   3.970
  118    HA   THR  15           HA       THR  15   8.604   2.459   4.678
  119    HB   THR  15           HB       THR  15  10.091   1.769   2.112
  120    HG1  THR  15           HG1      THR  15  10.793   3.841   2.326
  121   HG21  THR  15          HG21      THR  15   7.766   3.703   2.438
  122   HG22  THR  15          HG22      THR  15   8.889   3.687   1.061
  123   HG23  THR  15          HG23      THR  15   7.847   2.294   1.353
  124    H    VAL  16           H        VAL  16   6.496   1.991   4.390
  125    HA   VAL  16           HA       VAL  16   5.687  -0.748   3.560
  126    HB   VAL  16           HB       VAL  16   4.314   1.520   5.051
  127   HG11  VAL  16          HG11      VAL  16   3.069  -1.149   4.266
  128   HG12  VAL  16          HG12      VAL  16   2.406   0.008   5.444
  129   HG13  VAL  16          HG13      VAL  16   2.524   0.468   3.751
  130   HG21  VAL  16          HG21      VAL  16   4.245  -0.123   6.890
  131   HG22  VAL  16          HG22      VAL  16   5.032  -1.331   5.857
  132   HG23  VAL  16          HG23      VAL  16   5.914   0.138   6.349
  133    H    TYR  17           H        TYR  17   4.212  -1.159   1.973
  134    HA   TYR  17           HA       TYR  17   2.936   0.964   0.389
  135    HB2  TYR  17           HB2      TYR  17   3.924   0.335  -1.700
  136    HB3  TYR  17           HB3      TYR  17   5.226   0.709  -0.610
  137    HD1  TYR  17           HD1      TYR  17   6.530  -1.249   0.484
  138    HD2  TYR  17           HD2      TYR  17   3.842  -1.732  -2.857
  139    HE1  TYR  17           HE1      TYR  17   7.717  -3.338  -0.185
  140    HE2  TYR  17           HE2      TYR  17   4.993  -3.840  -3.486
  141    HH   TYR  17           HH       TYR  17   6.873  -5.115  -3.151
  142    H    TYR  18           H        TYR  18   1.763  -0.306  -1.523
  143    HA   TYR  18           HA       TYR  18   0.399  -2.693  -0.365
  144    HB2  TYR  18           HB2      TYR  18  -0.689  -0.496  -2.144
  145    HB3  TYR  18           HB3      TYR  18  -1.553  -1.975  -1.705
  146    HD1  TYR  18           HD1      TYR  18  -2.492  -2.308   0.524
  147    HD2  TYR  18           HD2      TYR  18  -0.216   1.233  -0.429
  148    HE1  TYR  18           HE1      TYR  18  -3.264  -1.229   2.639
  149    HE2  TYR  18           HE2      TYR  18  -0.959   2.289   1.699
  150    HH   TYR  18           HH       TYR  18  -2.185   2.032   3.608
  151    H    PHE  19           H        PHE  19   0.129  -4.522  -1.544
  152    HA   PHE  19           HA       PHE  19   1.122  -4.577  -4.358
  153    HB2  PHE  19           HB2      PHE  19   3.011  -5.110  -2.983
  154    HB3  PHE  19           HB3      PHE  19   2.085  -6.313  -2.080
  155    HD1  PHE  19           HD1      PHE  19   3.356  -5.419  -5.439
  156    HD2  PHE  19           HD2      PHE  19   1.845  -8.608  -2.957
  157    HE1  PHE  19           HE1      PHE  19   3.902  -7.028  -7.204
  158    HE2  PHE  19           HE2      PHE  19   2.488 -10.252  -4.700
  159    HZ   PHE  19           HZ       PHE  19   3.513  -9.483  -6.832
  160    H    ASN  20           H        ASN  20   0.092  -5.887  -5.753
  161    HA   ASN  20           HA       ASN  20  -2.234  -7.411  -4.702
  162    HB2  ASN  20           HB2      ASN  20  -2.518  -5.609  -6.442
  163    HB3  ASN  20           HB3      ASN  20  -1.650  -6.657  -7.577
  164   HD21  ASN  20          HD21      ASN  20  -4.675  -5.750  -6.772
  165   HD22  ASN  20          HD22      ASN  20  -5.553  -7.245  -7.041
  166    H    HIS  21           H        HIS  21  -1.936  -9.530  -4.367
  167    HA   HIS  21           HA       HIS  21   0.367 -10.927  -5.454
  168    HB2  HIS  21           HB2      HIS  21  -0.087 -12.554  -3.944
  169    HB3  HIS  21           HB3      HIS  21  -0.876 -11.193  -3.152
  170    HD2  HIS  21           HD2      HIS  21  -3.516 -11.372  -2.781
  171    HE1  HIS  21           HE1      HIS  21  -4.090 -15.255  -4.443
  172    HE2  HIS  21           HE2      HIS  21  -5.178 -13.392  -3.090
  173    H    ILE  22           H        ILE  22  -2.897 -10.568  -6.590
  174    HA   ILE  22           HA       ILE  22  -2.937 -12.998  -8.234
  175    HB   ILE  22           HB       ILE  22  -4.823 -10.595  -8.124
  176   HG12  ILE  22          HG12      ILE  22  -4.895 -13.279  -6.651
  177   HG13  ILE  22          HG13      ILE  22  -4.705 -11.676  -5.934
  178   HG21  ILE  22          HG21      ILE  22  -5.028 -11.892 -10.225
  179   HG22  ILE  22          HG22      ILE  22  -5.241 -13.386  -9.284
  180   HG23  ILE  22          HG23      ILE  22  -6.451 -12.082  -9.226
  181   HD11  ILE  22          HD11      ILE  22  -7.020 -11.092  -6.761
  182   HD12  ILE  22          HD12      ILE  22  -7.218 -12.809  -7.197
  183   HD13  ILE  22          HD13      ILE  22  -6.934 -12.353  -5.512
  184    H    THR  23           H        THR  23  -2.524  -9.508  -8.692
  185    HA   THR  23           HA       THR  23  -2.079  -9.866 -11.604
  186    HB   THR  23           HB       THR  23  -2.858  -7.703 -11.959
  187    HG1  THR  23           HG1      THR  23  -3.480  -6.598  -9.837
  188   HG21  THR  23          HG21      THR  23  -4.685  -9.304 -11.264
  189   HG22  THR  23          HG22      THR  23  -4.587  -8.624  -9.623
  190   HG23  THR  23          HG23      THR  23  -5.050  -7.592 -10.989
  191    H    ASN  24           H        ASN  24  -0.173  -9.305  -8.918
  192    HA   ASN  24           HA       ASN  24   1.870  -8.578  -8.497
  193    HB2  ASN  24           HB2      ASN  24   2.420  -8.861 -11.468
  194    HB3  ASN  24           HB3      ASN  24   3.635  -8.681 -10.196
  195   HD21  ASN  24          HD21      ASN  24   2.146 -10.978 -12.080
  196   HD22  ASN  24          HD22      ASN  24   2.424 -12.361 -11.018
  197    H    ALA  25           H        ALA  25  -0.314  -6.568  -9.506
  198    HA   ALA  25           HA       ALA  25   1.185  -4.186 -10.161
  199    HB1  ALA  25           HB1      ALA  25  -1.566  -4.516  -8.892
  200    HB2  ALA  25           HB2      ALA  25  -0.920  -3.036  -9.631
  201    HB3  ALA  25           HB3      ALA  25  -1.226  -4.464 -10.637
  202    H    SER  26           H        SER  26   1.538  -2.331  -8.777
  203    HA   SER  26           HA       SER  26   1.544  -2.769  -5.862
  204    HB2  SER  26           HB2      SER  26   3.834  -2.002  -5.571
  205    HB3  SER  26           HB3      SER  26   3.759  -3.521  -6.468
  206    HG   SER  26           HG       SER  26   4.162  -2.420  -8.360
  207    H    GLN  27           H        GLN  27   1.532  -0.864  -4.615
  208    HA   GLN  27           HA       GLN  27   1.493   1.776  -5.966
  209    HB2  GLN  27           HB2      GLN  27  -0.864   0.592  -4.437
  210    HB3  GLN  27           HB3      GLN  27  -0.607   2.329  -4.649
  211    HG2  GLN  27           HG2      GLN  27  -0.662   2.081  -7.083
  212    HG3  GLN  27           HG3      GLN  27  -1.015   0.350  -6.902
  213   HE21  GLN  27          HE21      GLN  27  -2.617   2.356  -4.472
  214   HE22  GLN  27          HE22      GLN  27  -4.141   2.465  -5.359
  215    H    PHE  28           H        PHE  28   2.144   3.449  -4.744
  216    HA   PHE  28           HA       PHE  28   2.943   2.985  -1.959
  217    HB2  PHE  28           HB2      PHE  28   3.377   5.267  -3.860
  218    HB3  PHE  28           HB3      PHE  28   3.669   5.430  -2.126
  219    HD1  PHE  28           HD1      PHE  28   4.903   3.915  -5.240
  220    HD2  PHE  28           HD2      PHE  28   5.406   4.116  -0.958
  221    HE1  PHE  28           HE1      PHE  28   7.169   2.920  -5.456
  222    HE2  PHE  28           HE2      PHE  28   7.676   3.134  -1.182
  223    HZ   PHE  28           HZ       PHE  28   8.562   2.535  -3.431
  224    H    GLU  29           H        GLU  29   0.130   4.065  -3.458
  225    HA   GLU  29           HA       GLU  29  -0.926   5.267  -0.938
  226    HB2  GLU  29           HB2      GLU  29  -0.879   6.796  -2.879
  227    HB3  GLU  29           HB3      GLU  29  -1.830   5.646  -3.817
  228    HG2  GLU  29           HG2      GLU  29  -3.219   7.476  -3.013
  229    HG3  GLU  29           HG3      GLU  29  -3.754   5.957  -2.316
  230    H    ARG  30           H        ARG  30  -2.971   4.635  -0.209
  231    HA   ARG  30           HA       ARG  30  -3.399   1.827  -0.259
  232    HB2  ARG  30           HB2      ARG  30  -3.765   3.149   1.680
  233    HB3  ARG  30           HB3      ARG  30  -4.993   4.132   0.903
  234    HG2  ARG  30           HG2      ARG  30  -5.439   1.147   1.072
  235    HG3  ARG  30           HG3      ARG  30  -5.574   2.101   2.558
  236    HD2  ARG  30           HD2      ARG  30  -7.521   3.092   1.962
  237    HD3  ARG  30           HD3      ARG  30  -7.023   3.330   0.294
  238    HE   ARG  30           HE       ARG  30  -7.980   1.348  -0.351
  239   HH11  ARG  30          HH11      ARG  30  -7.820   1.139   3.164
  240   HH12  ARG  30          HH12      ARG  30  -8.774  -0.333   3.142
  241   HH21  ARG  30          HH21      ARG  30  -9.311  -0.326  -0.219
  242   HH22  ARG  30          HH22      ARG  30  -9.627  -1.083   1.345
  243    HA   PRO  31           HA       PRO  31  -5.699   1.711  -4.044
  244    HB2  PRO  31           HB2      PRO  31  -6.158  -0.966  -4.305
  245    HB3  PRO  31           HB3      PRO  31  -4.521  -0.249  -4.417
  246    HG2  PRO  31           HG2      PRO  31  -5.831  -1.500  -1.986
  247    HG3  PRO  31           HG3      PRO  31  -4.206  -1.852  -2.661
  248    HD2  PRO  31           HD2      PRO  31  -4.523  -0.131  -0.601
  249    HD3  PRO  31           HD3      PRO  31  -3.334   0.196  -1.899
  250    H    SER  32           H        SER  32  -7.764   1.839  -4.778
  251    HA   SER  32           HA       SER  32  -9.979   1.281  -2.832
  252    HB2  SER  32           HB2      SER  32  -9.561   3.722  -4.585
  253    HB3  SER  32           HB3      SER  32 -10.999   3.398  -3.601
  254    HG   SER  32           HG       SER  32  -8.335   3.736  -2.672
  255    H    GLY  33           H        GLY  33  -8.971   0.005  -5.573
  256    HA2  GLY  33           HA2      GLY  33 -11.501  -1.103  -6.337
  257    HA3  GLY  33           HA3      GLY  33 -11.013   0.126  -7.508
  258    H1   GAL 101           H1       GAL  34  11.842   1.592   0.457
  259    H2   GAL 101           H2       GAL  34  13.266   4.100  -0.588
  260    H3   GAL 101           H3       GAL  34  10.418   3.049  -1.002
  261    H4   GAL 101           H4       GAL  34  11.056   2.640  -3.328
  262    H5   GAL 101           H5       GAL  34  11.481   0.771  -1.842
  263    H61  GAL 101           H61      GAL  34  12.283   0.301  -4.085
  264    H62  GAL 101           H62      GAL  34  13.818   1.139  -3.766
  265    HO2  GAL 101           H2O      GAL  34  12.584   4.557   1.447
  266    HO3  GAL 101           H3O      GAL  34  10.769   5.386  -1.000
  267    HO4  GAL 101           H4O      GAL  34  12.630   4.402  -3.289
  268    HO6  GAL 101           H6O      GAL  34  14.011  -0.392  -1.938