*HEADER    ISOMERASE                               20-MAR-16   2NC3              
*TITLE     SOLUTION STRUCTURE OF N-ALLOSYLATED 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 2NC3    0                                                


#
# 1       LYS     HA      2       LEU     H       4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 6, 26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0, 
 &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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 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 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 17, 18, 
 igr2= 14, 15, 
 &end
#
# 1 LYS QE 2 LEU QD1 4        (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 17, 18, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU QD1 18 TYR QE 4.0     (#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 4.5     (#4 to 4.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 35, 36, 37, 
 igr2= 291, 300, 
 &end
#
# 2 LEU QD2 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= 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 
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 46, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 HA 2 LEU QD1 5.0  (#3.5 to 4.0 to 4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 35, 36, 37, 
 &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 HG 2 LEU HB2 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 33, 30, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 LEU HG 2 LEU QD2 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 39, 40, 41, 
 &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 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 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 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 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 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 HB3 2 LEU H 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 31, 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 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 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
#
# 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 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 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 HB3 6 TRP HD1 5.5     (#4.5 to 5.0 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 HD3 6 TRP HD1 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 HB2 6 TRP H 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 80, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 PRO HB2 6 TRP HE1 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 90, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 PRO HA 4 PRO HD3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 50, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 PRO HA 3 PRO HB3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 53, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HG3 3 PRO HB2 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HB3 3 PRO HG2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 49, 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 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 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 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 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 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 HD2 2 LEU HB2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HD3 2 LEU QD1 5.5      (#4.5 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 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 
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 PRO HG3 5 GLY H 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 HG2 4.0     (#3.5 to 4.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HA 4 PRO HG3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 PRO HD2 4 PRO HB3 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HD3 4 PRO HB2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 63, 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 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 368, 369, 370, 
 &end
#
# 5 GLY HA3 20 ASN HD21 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA2 6 TRP H 4.0    (#3.5 to 4.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 HE3 19 PHE H 5.0     (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 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 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 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 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 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 HA 6 TRP H 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 80, 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 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 HA 6 TRP HB2 4.5  (#HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 84, 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 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 5.0     (#W6HB3 to HB2 4.5 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 30, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HB2 2 LEU QD2 5  (#W6HB3 to HB2)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 39, 40, 41, 
 &end
#
# 7 GLU HB2 21 HIS HD2 5.5      (#5 to 5.5  )
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 HB2 8 LYS H 4.5      (#3.5 to 4.5 according to galactose )
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 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 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 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 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 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 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 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 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 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 QE 16 VAL QG2 4.5    (#4 to 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 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 132, 133, 
 igr2= 252, 253, 254, 
 &end
#
# 8 LYS HA 9 ARG H 3 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 141, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 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 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 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 HA 8 LYS HB2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS QE 8 LYS HD3 4 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HB2 8 LYS HG2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS QE 8 LYS HD2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 132, 133, 
 &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 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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 126, 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 H 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HG2 19 PHE QD 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &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 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 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 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 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     HA 10      MET     H       3.5    (#added )
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG HG2 10 MET H 4.o    (#3.5 to 4.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ARG QB 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= 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 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 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 HA 9 ARG H 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG HA 9 ARG HG2 4.0   (#3.5 to 4.0 )
 &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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG HD3 9 ARG HG2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 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 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 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 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 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 HG2 9 ARG H 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 HD3 9 ARG HE 5.0    (#4.5 to 5.0 due to overlap with 0NBH5-F11QE )
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 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 HA 9 ARG QB 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 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
#
# 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 HA 17 TYR QD 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &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 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 252, 253, 254, 
 &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 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 HB2 11 PHE H 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HB3 10 MET HB2 3 
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &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 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
#
# 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 QD 15 THR H 5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 190, 198, 
 &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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 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 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 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 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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 190, 198, 
 &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 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 HA 11 PHE HB3 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE QD 11 PHE H 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 190, 198, 
 &end
#
# 11 PHE HA 11 PHE H 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 11 PHE HB2 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 186, 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 
 &rst
  ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 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 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 HB3 13 NLN HD21 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 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 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 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 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 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 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 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 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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   (#4 to 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 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 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 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 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 5.0   (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR H 14 GLY H 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 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 HB 11 PHE QE 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 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 5.0   (#4.5 to 5.0 )
 &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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 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 HB 16 VAL QG1 3 
 &rst
  ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr2= 252, 253, 254, 
 &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 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 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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 256, 257, 258, 
 &end
#
# 16 VAL HA 16 VAL QG1 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 252, 253, 254, 
 &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 HB3 28 PHE QE 5.5   (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 450, 454, 
 &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 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 5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HB3 27 GLN H 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 HB2 18 TYR H 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR HA 18 TYR H 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR HA 18 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= 291, 300, 
 &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 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 QE 17 TYR QD 3 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 272, 277, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB2 17 TYR QD 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB3 17 TYR QD 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HA 17 TYR HB2 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR HA 17 TYR HB3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR QD 17 TYR H 4 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 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 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 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 HB3 11 PHE QD 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 190, 198, 
 &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 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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 272, 277, 
 &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 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 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 HB3 18 TYR QD 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 291, 300, 
 &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 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 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 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 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 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 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 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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HB3 6 TRP HE3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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       5.0
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 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 QE 20 ASN H 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 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 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 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 HA 19 PHE HB2 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 308, 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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 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 5.0   (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 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
#
# 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 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB3 20 ASN HD21 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HA 7 GLU H 5.5   (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 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 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 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 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 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 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 HD2 21 HIS H 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB3 21 HIS HD2 4.5 
 &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 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 
 &rst
  ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ILE HB 22 ILE QD1 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 368, 369, 370, 
 &end
#
# 22 ILE HB 22 ILE HG13 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 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 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 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 HA 22 ILE HG13 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE HB 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, 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 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 
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HG12 21 HIS HD2 5.5    (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ILE QD1 21 HIS HD2 5 
 &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
#
# 23 THR HG1 25 ALA QB 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 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 5.5   (#5 to 5.5 )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 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 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 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 H 22 ILE H 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 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 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 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 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 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 4.0    (#3.5 to 4.0 )
 &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 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 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 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 HB2 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 20 ASN H 5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 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 6 TRP HH2 4 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HZ2 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HZ3 5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, 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 
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 414, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 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 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 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
#
# 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 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 GLN QB 28 PHE H 4.0    (#3.5 to 4.0 )
 &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 27 GLN HE22 4.0    (#28 PHE QE to 27 GLN HE22; 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 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 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 4.0    (#3.5 to 4.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 430, 431, 
 &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 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= 427, 428, 
 &end
#
# 27 GLN QB 6 TRP HZ3 4 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 6 TRP HZ3 5.0    (#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
#
# 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 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 HA 28 PHE QD 4.5    (#4 to 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 HB2 28 PHE QD 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB3 28 PHE QD 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 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 QD 28 PHE H 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 448, 456, 
 &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 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 18 TYR QD 5.0    (#4.5 to 5.0 )
 &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 18 TYR QE 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 29 GLU HA 30 ARG H 3 
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &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 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 H 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 460, 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 HG2 29 GLU H 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 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 4 
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 440, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 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 HG3 30 ARG HG2 3 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 482, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &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 QB 30 ARG HG2 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG QB 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 479, 480, 
 &end
#
# 30 ARG QD 30 ARG QB 4 
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 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 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 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 483, 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 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 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 5.0    (#4.5 to 5.0    )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 479, 480, 
 igr2= 293, 298, 
 &end
#
# 30 ARG HG2 18 TYR QE 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &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 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 HB3 31 PRO HG3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HA 31 PRO HB3 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 507, 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 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 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 HB2 31 PRO HG2 4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HA 30 ARG HE 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 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 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 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 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 HD2 18 TYR QD 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 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 6.0    (#5 to 5.5 to 6.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 90, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &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 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 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 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 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 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 H 32 SER H 5.0    (#4.5 to 5.0 )
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0NB H5 34 0NB H61 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0NB H4 34 0NB H2 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0NB H3 34 0NB H4 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0NB H62 34 0NB H61 3 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 538, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 0NB H3 34 0NB 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 0NB H1 34 0NB 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 0NB H62 34 0NB H5 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 535, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0NB H1 34 0NB H2 4.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 550, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 0NB H1 15 THR QG2 4.2   (#4.5 to 4.2 )
 &rst
  ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0NB 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 0NB H2 13 NLN HD21 3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0NB H1 13 NLN HD21 4.7 
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 221, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 34 0NB H5 11 PHE QD 4.2   (#4.5 to 4.2 )
 &rst
  ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 190, 198, 
 &end
#
# 34 0NB 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 0NB H61 11 PHE QD 4.7  (#5 to 4.7 )
 &rst
  ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 190, 198, 
 &end
#
# 34 0NB H62 11 PHE QD 5 
 &rst
  ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 190, 198, 
 &end
#
# 34      0NB     H61     11      PHE     QE      4.5    (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 192, 196, 
 &end
#
# 34      0NB     H62     11      PHE     QE      5.0    (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 192, 196, 
 &end
#
# 34      0NB     H5      11      PHE     QE      4.7    (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 192, 196, 
 &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 allose_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 -11.196  -5.465   6.182
    2    H2   LYS   1           H2       LYS   1 -11.341  -5.714   4.572
    3    H3   LYS   1           H3       LYS   1 -11.303  -4.188   5.169
    4    HA   LYS   1           HA       LYS   1  -9.060  -4.439   5.928
    5    HB2  LYS   1           HB2      LYS   1  -9.118  -6.809   6.422
    6    HB3  LYS   1           HB3      LYS   1  -9.256  -7.218   4.713
    7    HG2  LYS   1           HG2      LYS   1  -6.980  -6.307   4.299
    8    HG3  LYS   1           HG3      LYS   1  -6.856  -5.834   6.004
    9    HD2  LYS   1           HD2      LYS   1  -7.012  -8.183   6.701
   10    HD3  LYS   1           HD3      LYS   1  -7.292  -8.694   5.024
   11    HE2  LYS   1           HE2      LYS   1  -5.057  -7.856   4.378
   12    HE3  LYS   1           HE3      LYS   1  -4.760  -7.325   6.041
   13    HZ1  LYS   1           HZ1      LYS   1  -4.890  -9.630   6.753
   14    HZ2  LYS   1           HZ2      LYS   1  -5.265 -10.144   5.248
   15    HZ3  LYS   1           HZ3      LYS   1  -3.784  -9.534   5.549
   16    H    LEU   2           H        LEU   2  -9.249  -6.189   2.822
   17    HA   LEU   2           HA       LEU   2  -8.651  -3.760   1.253
   18    HB2  LEU   2           HB2      LEU   2  -6.776  -6.087   1.801
   19    HB3  LEU   2           HB3      LEU   2  -6.684  -5.253   0.257
   20    HG   LEU   2           HG       LEU   2  -6.392  -3.761   2.888
   21   HD11  LEU   2          HD11      LEU   2  -4.213  -4.870   1.094
   22   HD12  LEU   2          HD12      LEU   2  -3.985  -3.845   2.530
   23   HD13  LEU   2          HD13      LEU   2  -4.645  -5.478   2.714
   24   HD21  LEU   2          HD21      LEU   2  -5.578  -3.109   0.018
   25   HD22  LEU   2          HD22      LEU   2  -6.922  -2.349   0.908
   26   HD23  LEU   2          HD23      LEU   2  -5.256  -2.106   1.448
   27    HA   PRO   3           HA       PRO   3 -10.847  -6.022  -1.904
   28    HB2  PRO   3           HB2      PRO   3  -8.927  -5.276  -4.036
   29    HB3  PRO   3           HB3      PRO   3 -10.642  -4.816  -3.846
   30    HG2  PRO   3           HG2      PRO   3  -8.558  -3.062  -3.450
   31    HG3  PRO   3           HG3      PRO   3 -10.110  -2.961  -2.545
   32    HD2  PRO   3           HD2      PRO   3  -7.487  -4.162  -1.651
   33    HD3  PRO   3           HD3      PRO   3  -8.628  -3.110  -0.757
   34    HA   PRO   4           HA       PRO   4  -9.371 -10.022  -2.596
   35    HB2  PRO   4           HB2      PRO   4  -9.732  -9.757  -5.590
   36    HB3  PRO   4           HB3      PRO   4 -10.224 -11.100  -4.507
   37    HG2  PRO   4           HG2      PRO   4 -12.050  -9.261  -5.259
   38    HG3  PRO   4           HG3      PRO   4 -11.971  -9.764  -3.537
   39    HD2  PRO   4           HD2      PRO   4 -10.820  -7.278  -4.829
   40    HD3  PRO   4           HD3      PRO   4 -11.724  -7.444  -3.291
   41    H    GLY   5           H        GLY   5  -7.412 -10.753  -2.325
   42    HA2  GLY   5           HA2      GLY   5  -5.288 -11.510  -2.811
   43    HA3  GLY   5           HA3      GLY   5  -5.328 -10.653  -4.362
   44    H    TRP   6           H        TRP   6  -6.010  -8.087  -2.566
   45    HA   TRP   6           HA       TRP   6  -3.245  -7.194  -2.476
   46    HB2  TRP   6           HB2      TRP   6  -5.824  -5.851  -1.693
   47    HB3  TRP   6           HB3      TRP   6  -4.235  -5.086  -1.578
   48    HD1  TRP   6           HD1      TRP   6  -6.891  -6.111  -4.047
   49    HE1  TRP   6           HE1      TRP   6  -6.410  -5.139  -6.374
   50    HE3  TRP   6           HE3      TRP   6  -2.147  -4.381  -3.220
   51    HZ2  TRP   6           HZ2      TRP   6  -4.169  -4.004  -7.760
   52    HZ3  TRP   6           HZ3      TRP   6  -0.841  -3.362  -5.105
   53    HH2  TRP   6           HH2      TRP   6  -1.838  -3.183  -7.357
   54    H    GLU   7           H        GLU   7  -1.875  -6.891  -0.833
   55    HA   GLU   7           HA       GLU   7  -2.816  -6.656   1.937
   56    HB2  GLU   7           HB2      GLU   7  -2.459  -9.099   1.565
   57    HB3  GLU   7           HB3      GLU   7  -0.756  -8.779   1.207
   58    HG2  GLU   7           HG2      GLU   7  -0.309  -8.125   3.452
   59    HG3  GLU   7           HG3      GLU   7  -2.010  -7.789   3.786
   60    H    LYS   8           H        LYS   8  -1.158  -5.746   3.373
   61    HA   LYS   8           HA       LYS   8   0.556  -3.798   2.124
   62    HB2  LYS   8           HB2      LYS   8   0.221  -4.722   4.987
   63    HB3  LYS   8           HB3      LYS   8   1.507  -3.598   4.519
   64    HG2  LYS   8           HG2      LYS   8  -0.118  -2.040   3.553
   65    HG3  LYS   8           HG3      LYS   8  -1.437  -3.157   3.917
   66    HD2  LYS   8           HD2      LYS   8  -1.465  -1.439   5.582
   67    HD3  LYS   8           HD3      LYS   8  -0.888  -2.917   6.370
   68    HE2  LYS   8           HE2      LYS   8   1.468  -2.100   6.127
   69    HE3  LYS   8           HE3      LYS   8   0.867  -0.646   5.319
   70    HZ1  LYS   8           HZ1      LYS   8  -0.317  -0.073   7.367
   71    HZ2  LYS   8           HZ2      LYS   8   0.225  -1.423   8.114
   72    HZ3  LYS   8           HZ3      LYS   8   1.275  -0.251   7.682
   73    H    ARG   9           H        ARG   9   2.647  -3.564   1.983
   74    HA   ARG   9           HA       ARG   9   4.525  -5.857   2.267
   75    HB2  ARG   9           HB2      ARG   9   3.214  -5.509  -0.082
   76    HB3  ARG   9           HB3      ARG   9   4.415  -4.257  -0.302
   77    HG2  ARG   9           HG2      ARG   9   5.179  -6.238  -1.391
   78    HG3  ARG   9           HG3      ARG   9   6.208  -6.045   0.043
   79    HD2  ARG   9           HD2      ARG   9   4.893  -7.773   1.226
   80    HD3  ARG   9           HD3      ARG   9   3.747  -7.846  -0.121
   81    HE   ARG   9           HE       ARG   9   5.323  -8.946  -1.486
   82   HH11  ARG   9          HH11      ARG   9   7.957 -10.857  -0.423
   83   HH12  ARG   9          HH12      ARG   9   6.873 -10.485  -1.736
   84   HH21  ARG   9          HH21      ARG   9   6.659  -8.549   1.746
   85   HH22  ARG   9          HH22      ARG   9   7.846  -9.796   1.482
   86    H    MET  10           H        MET  10   6.840  -5.089   1.846
   87    HA   MET  10           HA       MET  10   7.292  -2.221   2.286
   88    HB2  MET  10           HB2      MET  10   6.707  -3.132   4.539
   89    HB3  MET  10           HB3      MET  10   8.076  -4.253   4.405
   90    HG2  MET  10           HG2      MET  10   9.566  -2.199   4.144
   91    HG3  MET  10           HG3      MET  10   8.168  -1.216   4.558
   92    HE1  MET  10           HE1      MET  10   7.159  -1.043   7.037
   93    HE2  MET  10           HE2      MET  10   6.701  -2.758   6.876
   94    HE3  MET  10           HE3      MET  10   7.560  -2.196   8.324
   95    H    PHE  11           H        PHE  11   9.161  -1.532   1.581
   96    HA   PHE  11           HA       PHE  11  11.078  -3.257   0.263
   97    HB2  PHE  11           HB2      PHE  11  10.870  -0.275   0.673
   98    HB3  PHE  11           HB3      PHE  11  12.246  -1.029  -0.139
   99    HD1  PHE  11           HD1      PHE  11  11.729  -2.651  -2.124
  100    HD2  PHE  11           HD2      PHE  11   8.987   0.354  -0.660
  101    HE1  PHE  11           HE1      PHE  11  10.528  -2.678  -4.299
  102    HE2  PHE  11           HE2      PHE  11   7.798   0.308  -2.831
  103    HZ   PHE  11           HZ       PHE  11   8.564  -1.191  -4.656
  104    H    ALA  12           H        ALA  12  13.401  -3.239   0.555
  105    HA   ALA  12           HA       ALA  12  14.216  -3.888   3.193
  106    HB1  ALA  12           HB1      ALA  12  15.881  -3.123   0.751
  107    HB2  ALA  12           HB2      ALA  12  16.466  -3.997   2.184
  108    HB3  ALA  12           HB3      ALA  12  15.258  -4.748   1.127
  109    H    ASN  13           H        ASN  13  14.103  -0.762   1.649
  110    HA   ASN  13           HA       ASN  13  15.833   0.592   3.596
  111    HB2  ASN  13           HB2      ASN  13  15.224   2.622   2.335
  112    HB3  ASN  13           HB3      ASN  13  15.812   1.323   1.286
  113   HD21  ASN  13          HD21      ASN  13  14.813   2.444  -0.479
  114    H    GLY  14           H        GLY  14  12.731  -0.615   3.931
  115    HA2  GLY  14           HA2      GLY  14  11.339  -0.360   5.775
  116    HA3  GLY  14           HA3      GLY  14  12.130   1.164   6.210
  117    H    THR  15           H        THR  15  10.993   0.846   2.903
  118    HA   THR  15           HA       THR  15   8.846   2.844   3.412
  119    HB   THR  15           HB       THR  15   9.927   1.766   0.790
  120    HG1  THR  15           HG1      THR  15  11.463   2.877   1.763
  121   HG21  THR  15          HG21      THR  15   7.771   2.591   0.327
  122   HG22  THR  15          HG22      THR  15   7.966   3.992   1.421
  123   HG23  THR  15          HG23      THR  15   8.870   3.907  -0.103
  124    H    VAL  16           H        VAL  16   6.711   2.378   3.370
  125    HA   VAL  16           HA       VAL  16   5.864  -0.435   2.924
  126    HB   VAL  16           HB       VAL  16   4.534   1.970   4.221
  127   HG11  VAL  16          HG11      VAL  16   2.742   0.435   4.966
  128   HG12  VAL  16          HG12      VAL  16   2.713   0.666   3.222
  129   HG13  VAL  16          HG13      VAL  16   3.385  -0.837   3.902
  130   HG21  VAL  16          HG21      VAL  16   5.470  -0.708   5.336
  131   HG22  VAL  16          HG22      VAL  16   6.306   0.849   5.554
  132   HG23  VAL  16          HG23      VAL  16   4.704   0.596   6.265
  133    H    TYR  17           H        TYR  17   4.344  -1.064   1.511
  134    HA   TYR  17           HA       TYR  17   2.810   0.765  -0.180
  135    HB2  TYR  17           HB2      TYR  17   3.641  -0.045  -2.284
  136    HB3  TYR  17           HB3      TYR  17   4.979   0.597  -1.388
  137    HD1  TYR  17           HD1      TYR  17   6.578  -1.063  -0.181
  138    HD2  TYR  17           HD2      TYR  17   3.742  -2.215  -3.227
  139    HE1  TYR  17           HE1      TYR  17   7.951  -3.067  -0.712
  140    HE2  TYR  17           HE2      TYR  17   5.115  -4.229  -3.738
  141    HH   TYR  17           HH       TYR  17   8.237  -4.836  -2.114
  142    H    TYR  18           H        TYR  18   1.725  -0.978  -1.929
  143    HA   TYR  18           HA       TYR  18   0.635  -3.240  -0.304
  144    HB2  TYR  18           HB2      TYR  18  -0.851  -1.412  -2.224
  145    HB3  TYR  18           HB3      TYR  18  -1.525  -2.797  -1.350
  146    HD1  TYR  18           HD1      TYR  18  -2.148  -2.636   0.999
  147    HD2  TYR  18           HD2      TYR  18  -0.195   0.651  -1.002
  148    HE1  TYR  18           HE1      TYR  18  -2.664  -1.139   2.930
  149    HE2  TYR  18           HE2      TYR  18  -0.652   2.121   0.942
  150    HH   TYR  18           HH       TYR  18  -1.576   2.264   3.028
  151    H    PHE  19           H        PHE  19   0.299  -5.154  -1.315
  152    HA   PHE  19           HA       PHE  19   1.142  -5.461  -4.165
  153    HB2  PHE  19           HB2      PHE  19   3.083  -5.846  -2.775
  154    HB3  PHE  19           HB3      PHE  19   2.168  -6.973  -1.755
  155    HD1  PHE  19           HD1      PHE  19   3.246  -6.389  -5.267
  156    HD2  PHE  19           HD2      PHE  19   2.126  -9.332  -2.320
  157    HE1  PHE  19           HE1      PHE  19   3.795  -8.170  -6.862
  158    HE2  PHE  19           HE2      PHE  19   2.754 -11.139  -3.900
  159    HZ   PHE  19           HZ       PHE  19   3.584 -10.579  -6.179
  160    H    ASN  20           H        ASN  20   0.015  -6.882  -5.364
  161    HA   ASN  20           HA       ASN  20  -2.187  -8.367  -4.037
  162    HB2  ASN  20           HB2      ASN  20  -2.606  -6.784  -5.964
  163    HB3  ASN  20           HB3      ASN  20  -1.771  -7.947  -7.007
  164   HD21  ASN  20          HD21      ASN  20  -4.776  -7.010  -6.136
  165   HD22  ASN  20          HD22      ASN  20  -5.620  -8.549  -6.159
  166    H    HIS  21           H        HIS  21  -1.786 -10.423  -3.472
  167    HA   HIS  21           HA       HIS  21   0.513 -11.860  -4.499
  168    HB2  HIS  21           HB2      HIS  21   0.154 -13.347  -2.817
  169    HB3  HIS  21           HB3      HIS  21  -0.603 -11.911  -2.135
  170    HD2  HIS  21           HD2      HIS  21  -3.169 -12.118  -1.481
  171    HE1  HIS  21           HE1      HIS  21  -3.827 -16.115  -2.804
  172    HE2  HIS  21           HE2      HIS  21  -4.813 -14.174  -1.486
  173    H    ILE  22           H        ILE  22  -2.810 -11.749  -5.526
  174    HA   ILE  22           HA       ILE  22  -2.786 -14.335  -6.922
  175    HB   ILE  22           HB       ILE  22  -4.812 -12.055  -6.909
  176   HG12  ILE  22          HG12      ILE  22  -4.748 -14.635  -5.266
  177   HG13  ILE  22          HG13      ILE  22  -4.448 -13.004  -4.640
  178   HG21  ILE  22          HG21      ILE  22  -6.411 -13.728  -7.763
  179   HG22  ILE  22          HG22      ILE  22  -5.072 -13.520  -8.874
  180   HG23  ILE  22          HG23      ILE  22  -5.116 -14.947  -7.814
  181   HD11  ILE  22          HD11      ILE  22  -6.795 -12.375  -5.324
  182   HD12  ILE  22          HD12      ILE  22  -7.089 -14.109  -5.610
  183   HD13  ILE  22          HD13      ILE  22  -6.634 -13.540  -3.994
  184    H    THR  23           H        THR  23  -2.635 -10.884  -7.716
  185    HA   THR  23           HA       THR  23  -2.302 -11.488 -10.599
  186    HB   THR  23           HB       THR  23  -3.263  -9.453 -11.133
  187    HG1  THR  23           HG1      THR  23  -3.858  -8.172  -9.087
  188   HG21  THR  23          HG21      THR  23  -4.928 -11.085 -10.162
  189   HG22  THR  23          HG22      THR  23  -4.807 -10.220  -8.614
  190   HG23  THR  23          HG23      THR  23  -5.410  -9.385 -10.058
  191    H    ASN  24           H        ASN  24  -0.287 -10.619  -8.106
  192    HA   ASN  24           HA       ASN  24   1.782  -9.865  -7.901
  193    HB2  ASN  24           HB2      ASN  24   1.931 -11.538  -9.973
  194    HB3  ASN  24           HB3      ASN  24   2.408 -10.065 -10.835
  195   HD21  ASN  24          HD21      ASN  24   4.184  -8.769  -9.532
  196   HD22  ASN  24          HD22      ASN  24   5.500  -9.791  -8.921
  197    H    ALA  25           H        ALA  25  -0.458  -7.933  -8.829
  198    HA   ALA  25           HA       ALA  25   0.963  -5.636  -9.903
  199    HB1  ALA  25           HB1      ALA  25  -1.134  -4.460  -9.401
  200    HB2  ALA  25           HB2      ALA  25  -1.463  -5.997 -10.221
  201    HB3  ALA  25           HB3      ALA  25  -1.717  -5.855  -8.467
  202    H    SER  26           H        SER  26   1.441  -3.670  -8.772
  203    HA   SER  26           HA       SER  26   1.616  -3.745  -5.817
  204    HB2  SER  26           HB2      SER  26   3.957  -2.967  -5.857
  205    HB3  SER  26           HB3      SER  26   3.762  -4.613  -6.464
  206    HG   SER  26           HG       SER  26   3.942  -2.299  -8.112
  207    H    GLN  27           H        GLN  27   1.357  -1.717  -4.843
  208    HA   GLN  27           HA       GLN  27   1.653   0.739  -6.417
  209    HB2  GLN  27           HB2      GLN  27  -0.594   1.435  -6.428
  210    HB3  GLN  27           HB3      GLN  27  -0.594  -0.213  -7.063
  211    HG2  GLN  27           HG2      GLN  27  -1.464  -1.075  -4.941
  212    HG3  GLN  27           HG3      GLN  27  -1.366   0.523  -4.218
  213   HE21  GLN  27          HE21      GLN  27  -3.337   1.484  -4.101
  214   HE22  GLN  27          HE22      GLN  27  -4.582   1.388  -5.361
  215    H    PHE  28           H        PHE  28   1.501   2.691  -5.184
  216    HA   PHE  28           HA       PHE  28   2.332   2.278  -2.410
  217    HB2  PHE  28           HB2      PHE  28   2.478   4.642  -4.263
  218    HB3  PHE  28           HB3      PHE  28   2.873   4.747  -2.545
  219    HD1  PHE  28           HD1      PHE  28   4.775   3.464  -1.560
  220    HD2  PHE  28           HD2      PHE  28   4.022   3.554  -5.808
  221    HE1  PHE  28           HE1      PHE  28   7.090   2.673  -1.994
  222    HE2  PHE  28           HE2      PHE  28   6.334   2.753  -6.235
  223    HZ   PHE  28           HZ       PHE  28   7.872   2.317  -4.332
  224    H    GLU  29           H        GLU  29  -0.458   3.827  -3.882
  225    HA   GLU  29           HA       GLU  29  -1.464   4.826  -1.286
  226    HB2  GLU  29           HB2      GLU  29  -1.743   6.143  -3.333
  227    HB3  GLU  29           HB3      GLU  29  -2.665   4.830  -4.084
  228    HG2  GLU  29           HG2      GLU  29  -4.455   5.082  -2.440
  229    HG3  GLU  29           HG3      GLU  29  -3.501   6.260  -1.529
  230    H    ARG  30           H        ARG  30  -3.405   4.002  -0.255
  231    HA   ARG  30           HA       ARG  30  -3.499   1.192  -0.137
  232    HB2  ARG  30           HB2      ARG  30  -4.242   2.844   1.644
  233    HB3  ARG  30           HB3      ARG  30  -5.757   2.993   0.753
  234    HG2  ARG  30           HG2      ARG  30  -5.512   0.227   0.941
  235    HG3  ARG  30           HG3      ARG  30  -4.675   0.746   2.410
  236    HD2  ARG  30           HD2      ARG  30  -6.943   0.340   2.989
  237    HD3  ARG  30           HD3      ARG  30  -6.730   2.103   2.982
  238    HE   ARG  30           HE       ARG  30  -7.672   0.961   0.431
  239   HH11  ARG  30          HH11      ARG  30  -8.852   2.041   3.556
  240   HH12  ARG  30          HH12      ARG  30 -10.422   2.456   2.918
  241   HH21  ARG  30          HH21      ARG  30  -9.636   1.694  -0.337
  242   HH22  ARG  30          HH22      ARG  30 -10.859   2.218   0.788
  243    HA   PRO  31           HA       PRO  31  -6.018   0.203  -3.758
  244    HB2  PRO  31           HB2      PRO  31  -6.304  -2.382  -2.237
  245    HB3  PRO  31           HB3      PRO  31  -5.960  -2.138  -3.978
  246    HG2  PRO  31           HG2      PRO  31  -3.968  -2.765  -2.250
  247    HG3  PRO  31           HG3      PRO  31  -3.700  -1.503  -3.498
  248    HD2  PRO  31           HD2      PRO  31  -4.358  -1.165  -0.566
  249    HD3  PRO  31           HD3      PRO  31  -3.193  -0.275  -1.579
  250    H    SER  32           H        SER  32  -8.214  -0.229  -4.291
  251    HA   SER  32           HA       SER  32 -10.258  -0.210  -2.141
  252    HB2  SER  32           HB2      SER  32 -10.005   1.995  -4.230
  253    HB3  SER  32           HB3      SER  32 -11.354   1.781  -3.103
  254    HG   SER  32           HG       SER  32  -8.665   2.452  -2.534
  255    H    GLY  33           H        GLY  33 -12.380  -0.666  -2.857
  256    HA2  GLY  33           HA2      GLY  33 -13.120  -1.261  -5.587
  257    HA3  GLY  33           HA3      GLY  33 -12.694  -2.734  -4.714
  258    H1'  ALL 101           H1       ALL  34  11.884   1.913  -0.671
  259    H2'  ALL 101           H2       ALL  34  13.552   4.062  -2.092
  260    H3'  ALL 101           H3       ALL  34  11.449   4.717  -3.196
  261    H4'  ALL 101           H4       ALL  34  12.854   3.100  -4.378
  262    H5'  ALL 101           H5       ALL  34  11.303   0.900  -2.946
  263   H6'1  ALL 101          H62       ALL  34  12.222   0.393  -5.308
  264   H6'2  ALL 101          H61       ALL  34  12.762  -0.671  -3.994
  265   HO'2  ALL 101          H2O       ALL  34  11.489   4.278  -0.108
  266   HO'3  ALL 101          H3O       ALL  34   9.685   3.121  -2.979
  267   HO'4  ALL 101          H4O       ALL  34  10.878   3.479  -5.380
  268   HO'6  ALL 101          H6O       ALL  34  14.591   0.802  -3.773
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -11.078  -4.524   4.874
    2    H2   LYS   1           H2       LYS   1 -10.747  -5.516   6.127
    3    H3   LYS   1           H3       LYS   1 -10.474  -6.023   4.598
    4    HA   LYS   1           HA       LYS   1  -9.082  -3.824   5.981
    5    HB2  LYS   1           HB2      LYS   1  -8.478  -6.121   6.795
    6    HB3  LYS   1           HB3      LYS   1  -7.911  -6.514   5.171
    7    HG2  LYS   1           HG2      LYS   1  -6.301  -4.519   5.373
    8    HG3  LYS   1           HG3      LYS   1  -6.859  -4.338   7.036
    9    HD2  LYS   1           HD2      LYS   1  -4.817  -5.536   7.141
   10    HD3  LYS   1           HD3      LYS   1  -6.083  -6.733   7.458
   11    HE2  LYS   1           HE2      LYS   1  -5.944  -7.483   5.076
   12    HE3  LYS   1           HE3      LYS   1  -4.724  -6.240   4.763
   13    HZ1  LYS   1           HZ1      LYS   1  -3.301  -7.366   6.421
   14    HZ2  LYS   1           HZ2      LYS   1  -4.409  -8.561   6.582
   15    HZ3  LYS   1           HZ3      LYS   1  -3.646  -8.327   5.148
   16    H    LEU   2           H        LEU   2  -8.569  -5.946   3.112
   17    HA   LEU   2           HA       LEU   2  -8.078  -3.564   1.405
   18    HB2  LEU   2           HB2      LEU   2  -6.302  -6.000   1.844
   19    HB3  LEU   2           HB3      LEU   2  -6.164  -4.997   0.398
   20    HG   LEU   2           HG       LEU   2  -5.803  -3.877   3.197
   21   HD11  LEU   2          HD11      LEU   2  -3.399  -3.972   2.754
   22   HD12  LEU   2          HD12      LEU   2  -4.100  -5.598   2.716
   23   HD13  LEU   2          HD13      LEU   2  -3.696  -4.774   1.194
   24   HD21  LEU   2          HD21      LEU   2  -4.998  -2.817   0.454
   25   HD22  LEU   2          HD22      LEU   2  -6.357  -2.211   1.429
   26   HD23  LEU   2          HD23      LEU   2  -4.702  -2.027   2.017
   27    HA   PRO   3           HA       PRO   3 -10.544  -5.731  -1.550
   28    HB2  PRO   3           HB2      PRO   3  -8.753  -5.129  -3.832
   29    HB3  PRO   3           HB3      PRO   3 -10.413  -4.558  -3.512
   30    HG2  PRO   3           HG2      PRO   3  -8.187  -2.948  -3.300
   31    HG3  PRO   3           HG3      PRO   3  -9.661  -2.725  -2.291
   32    HD2  PRO   3           HD2      PRO   3  -7.062  -4.063  -1.574
   33    HD3  PRO   3           HD3      PRO   3  -8.083  -2.955  -0.606
   34    HA   PRO   4           HA       PRO   4  -9.391  -9.831  -2.369
   35    HB2  PRO   4           HB2      PRO   4  -9.910  -9.506  -5.333
   36    HB3  PRO   4           HB3      PRO   4 -10.426 -10.826  -4.234
   37    HG2  PRO   4           HG2      PRO   4 -12.169  -8.864  -4.864
   38    HG3  PRO   4           HG3      PRO   4 -12.021  -9.389  -3.152
   39    HD2  PRO   4           HD2      PRO   4 -10.782  -6.973  -4.495
   40    HD3  PRO   4           HD3      PRO   4 -11.609  -7.089  -2.909
   41    H    GLY   5           H        GLY   5  -7.468 -10.698  -2.234
   42    HA2  GLY   5           HA2      GLY   5  -5.390 -11.518  -2.818
   43    HA3  GLY   5           HA3      GLY   5  -5.465 -10.639  -4.355
   44    H    TRP   6           H        TRP   6  -6.004  -8.101  -2.440
   45    HA   TRP   6           HA       TRP   6  -3.211  -7.276  -2.474
   46    HB2  TRP   6           HB2      TRP   6  -5.728  -5.893  -1.580
   47    HB3  TRP   6           HB3      TRP   6  -4.121  -5.162  -1.495
   48    HD1  TRP   6           HD1      TRP   6  -6.828  -6.147  -3.948
   49    HE1  TRP   6           HE1      TRP   6  -6.387  -5.114  -6.255
   50    HE3  TRP   6           HE3      TRP   6  -2.114  -4.346  -3.120
   51    HZ2  TRP   6           HZ2      TRP   6  -4.171  -3.930  -7.638
   52    HZ3  TRP   6           HZ3      TRP   6  -0.871  -3.208  -4.956
   53    HH2  TRP   6           HH2      TRP   6  -1.864  -3.036  -7.223
   54    H    GLU   7           H        GLU   7  -1.780  -7.067  -0.918
   55    HA   GLU   7           HA       GLU   7  -2.518  -7.127   1.955
   56    HB2  GLU   7           HB2      GLU   7  -0.428  -8.884   0.605
   57    HB3  GLU   7           HB3      GLU   7  -0.493  -8.614   2.338
   58    HG2  GLU   7           HG2      GLU   7  -2.680  -9.945   0.685
   59    HG3  GLU   7           HG3      GLU   7  -1.474 -10.765   1.661
   60    H    LYS   8           H        LYS   8  -0.856  -6.212   3.346
   61    HA   LYS   8           HA       LYS   8   0.695  -4.052   2.123
   62    HB2  LYS   8           HB2      LYS   8   0.398  -5.041   4.966
   63    HB3  LYS   8           HB3      LYS   8   1.668  -3.891   4.517
   64    HG2  LYS   8           HG2      LYS   8   0.014  -2.327   3.597
   65    HG3  LYS   8           HG3      LYS   8  -1.283  -3.472   3.940
   66    HD2  LYS   8           HD2      LYS   8  -1.322  -1.807   5.662
   67    HD3  LYS   8           HD3      LYS   8  -0.715  -3.299   6.396
   68    HE2  LYS   8           HE2      LYS   8   1.631  -2.430   6.136
   69    HE3  LYS   8           HE3      LYS   8   0.982  -0.953   5.416
   70    HZ1  LYS   8           HZ1      LYS   8   0.421  -1.887   8.180
   71    HZ2  LYS   8           HZ2      LYS   8   1.433  -0.670   7.786
   72    HZ3  LYS   8           HZ3      LYS   8  -0.169  -0.514   7.518
   73    H    ARG   9           H        ARG   9   2.785  -3.776   1.943
   74    HA   ARG   9           HA       ARG   9   4.729  -5.999   2.283
   75    HB2  ARG   9           HB2      ARG   9   3.486  -6.004  -0.024
   76    HB3  ARG   9           HB3      ARG   9   4.351  -4.514  -0.356
   77    HG2  ARG   9           HG2      ARG   9   5.478  -6.330  -1.415
   78    HG3  ARG   9           HG3      ARG   9   6.521  -5.790  -0.085
   79    HD2  ARG   9           HD2      ARG   9   5.714  -7.700   1.298
   80    HD3  ARG   9           HD3      ARG   9   4.628  -8.182  -0.017
   81    HE   ARG   9           HE       ARG   9   6.486  -8.816  -1.371
   82   HH11  ARG   9          HH11      ARG   9   8.396  -9.887  -1.552
   83   HH12  ARG   9          HH12      ARG   9   9.475  -9.988  -0.189
   84   HH21  ARG   9          HH21      ARG   9   7.521  -8.140   1.926
   85   HH22  ARG   9          HH22      ARG   9   9.007  -9.022   1.709
   86    H    MET  10           H        MET  10   7.028  -5.170   1.924
   87    HA   MET  10           HA       MET  10   7.352  -2.282   1.997
   88    HB2  MET  10           HB2      MET  10   8.410  -2.106   4.161
   89    HB3  MET  10           HB3      MET  10   6.737  -2.661   4.324
   90    HG2  MET  10           HG2      MET  10   7.523  -4.978   4.638
   91    HG3  MET  10           HG3      MET  10   9.198  -4.447   4.485
   92    HE1  MET  10           HE1      MET  10   9.352  -1.720   6.205
   93    HE2  MET  10           HE2      MET  10   9.872  -2.442   7.739
   94    HE3  MET  10           HE3      MET  10  10.523  -3.060   6.205
   95    H    PHE  11           H        PHE  11   9.248  -1.513   1.526
   96    HA   PHE  11           HA       PHE  11  11.308  -3.197   0.372
   97    HB2  PHE  11           HB2      PHE  11  11.009  -0.212   0.753
   98    HB3  PHE  11           HB3      PHE  11  12.414  -0.956  -0.019
   99    HD1  PHE  11           HD1      PHE  11   9.097   0.329  -0.592
  100    HD2  PHE  11           HD2      PHE  11  12.002  -2.526  -2.044
  101    HE1  PHE  11           HE1      PHE  11   7.945   0.253  -2.780
  102    HE2  PHE  11           HE2      PHE  11  10.842  -2.578  -4.241
  103    HZ   PHE  11           HZ       PHE  11   8.815  -1.182  -4.612
  104    H    ALA  12           H        ALA  12  13.572  -3.155   0.878
  105    HA   ALA  12           HA       ALA  12  14.167  -3.678   3.604
  106    HB1  ALA  12           HB1      ALA  12  16.486  -3.859   2.780
  107    HB2  ALA  12           HB2      ALA  12  15.354  -4.656   1.674
  108    HB3  ALA  12           HB3      ALA  12  16.024  -3.059   1.263
  109    H    ASN  13           H        ASN  13  14.186  -0.633   1.906
  110    HA   ASN  13           HA       ASN  13  15.819   0.809   3.860
  111    HB2  ASN  13           HB2      ASN  13  15.230   2.786   2.518
  112    HB3  ASN  13           HB3      ASN  13  15.841   1.457   1.522
  113   HD21  ASN  13          HD21      ASN  13  14.874   2.565  -0.279
  114    H    GLY  14           H        GLY  14  12.716  -0.412   4.150
  115    HA2  GLY  14           HA2      GLY  14  11.312  -0.116   5.993
  116    HA3  GLY  14           HA3      GLY  14  12.047   1.456   6.350
  117    H    THR  15           H        THR  15  10.999   0.950   3.047
  118    HA   THR  15           HA       THR  15   8.758   2.871   3.429
  119    HB   THR  15           HB       THR  15   9.939   1.771   0.863
  120    HG1  THR  15           HG1      THR  15  11.428   2.934   1.850
  121   HG21  THR  15          HG21      THR  15   8.850   3.874  -0.088
  122   HG22  THR  15          HG22      THR  15   7.776   2.536   0.335
  123   HG23  THR  15          HG23      THR  15   7.908   3.956   1.413
  124    H    VAL  16           H        VAL  16   6.668   2.292   3.430
  125    HA   VAL  16           HA       VAL  16   5.922  -0.542   2.938
  126    HB   VAL  16           HB       VAL  16   4.458   1.777   4.249
  127   HG11  VAL  16          HG11      VAL  16   2.799   0.111   5.015
  128   HG12  VAL  16          HG12      VAL  16   2.750   0.316   3.269
  129   HG13  VAL  16          HG13      VAL  16   3.544  -1.118   3.966
  130   HG21  VAL  16          HG21      VAL  16   4.728   0.449   6.311
  131   HG22  VAL  16          HG22      VAL  16   5.615  -0.794   5.413
  132   HG23  VAL  16          HG23      VAL  16   6.307   0.833   5.610
  133    H    TYR  17           H        TYR  17   4.413  -1.197   1.507
  134    HA   TYR  17           HA       TYR  17   2.842   0.632  -0.156
  135    HB2  TYR  17           HB2      TYR  17   3.690  -0.139  -2.266
  136    HB3  TYR  17           HB3      TYR  17   5.012   0.517  -1.355
  137    HD1  TYR  17           HD1      TYR  17   6.645  -1.132  -0.176
  138    HD2  TYR  17           HD2      TYR  17   3.835  -2.292  -3.242
  139    HE1  TYR  17           HE1      TYR  17   8.070  -3.093  -0.759
  140    HE2  TYR  17           HE2      TYR  17   5.253  -4.249  -3.805
  141    HH   TYR  17           HH       TYR  17   7.245  -5.307  -3.429
  142    H    TYR  18           H        TYR  18   1.730  -1.045  -1.900
  143    HA   TYR  18           HA       TYR  18   0.681  -3.367  -0.326
  144    HB2  TYR  18           HB2      TYR  18  -0.825  -1.594  -2.279
  145    HB3  TYR  18           HB3      TYR  18  -1.478  -2.946  -1.342
  146    HD1  TYR  18           HD1      TYR  18  -1.876  -2.740   1.095
  147    HD2  TYR  18           HD2      TYR  18  -0.386   0.566  -1.238
  148    HE1  TYR  18           HE1      TYR  18  -2.420  -1.176   2.958
  149    HE2  TYR  18           HE2      TYR  18  -0.897   2.123   0.626
  150    HH   TYR  18           HH       TYR  18  -2.386   0.987   3.683
  151    H    PHE  19           H        PHE  19   0.351  -5.258  -1.398
  152    HA   PHE  19           HA       PHE  19   1.143  -5.496  -4.265
  153    HB2  PHE  19           HB2      PHE  19   3.144  -5.893  -2.949
  154    HB3  PHE  19           HB3      PHE  19   2.281  -7.068  -1.939
  155    HD1  PHE  19           HD1      PHE  19   3.257  -6.342  -5.458
  156    HD2  PHE  19           HD2      PHE  19   2.193  -9.402  -2.609
  157    HE1  PHE  19           HE1      PHE  19   3.760  -8.062  -7.139
  158    HE2  PHE  19           HE2      PHE  19   2.766 -11.143  -4.282
  159    HZ   PHE  19           HZ       PHE  19   3.547 -10.491  -6.552
  160    H    ASN  20           H        ASN  20  -0.034  -6.895  -5.447
  161    HA   ASN  20           HA       ASN  20  -2.191  -8.390  -4.068
  162    HB2  ASN  20           HB2      ASN  20  -2.648  -6.783  -5.963
  163    HB3  ASN  20           HB3      ASN  20  -1.850  -7.938  -7.044
  164   HD21  ASN  20          HD21      ASN  20  -4.815  -6.982  -6.117
  165   HD22  ASN  20          HD22      ASN  20  -5.683  -8.506  -6.156
  166    H    HIS  21           H        HIS  21  -1.798 -10.452  -3.534
  167    HA   HIS  21           HA       HIS  21   0.467 -11.899  -4.625
  168    HB2  HIS  21           HB2      HIS  21   0.142 -13.392  -2.940
  169    HB3  HIS  21           HB3      HIS  21  -0.576 -11.948  -2.231
  170    HD2  HIS  21           HD2      HIS  21  -3.129 -12.121  -1.506
  171    HE1  HIS  21           HE1      HIS  21  -3.866 -16.114  -2.798
  172    HE2  HIS  21           HE2      HIS  21  -4.793 -14.159  -1.458
  173    H    ILE  22           H        ILE  22  -2.874 -11.747  -5.572
  174    HA   ILE  22           HA       ILE  22  -2.905 -14.334  -6.974
  175    HB   ILE  22           HB       ILE  22  -4.927 -12.051  -6.878
  176   HG12  ILE  22          HG12      ILE  22  -4.786 -14.636  -5.248
  177   HG13  ILE  22          HG13      ILE  22  -4.497 -13.000  -4.630
  178   HG21  ILE  22          HG21      ILE  22  -5.252 -13.506  -8.843
  179   HG22  ILE  22          HG22      ILE  22  -5.261 -14.939  -7.789
  180   HG23  ILE  22          HG23      ILE  22  -6.553 -13.719  -7.690
  181   HD11  ILE  22          HD11      ILE  22  -6.650 -13.580  -3.916
  182   HD12  ILE  22          HD12      ILE  22  -6.877 -12.416  -5.238
  183   HD13  ILE  22          HD13      ILE  22  -7.145 -14.156  -5.518
  184    H    THR  23           H        THR  23  -2.773 -10.878  -7.752
  185    HA   THR  23           HA       THR  23  -2.540 -11.466 -10.649
  186    HB   THR  23           HB       THR  23  -3.504  -9.418 -11.136
  187    HG1  THR  23           HG1      THR  23  -4.028  -8.158  -9.054
  188   HG21  THR  23          HG21      THR  23  -5.617  -9.351  -9.991
  189   HG22  THR  23          HG22      THR  23  -5.148 -11.052 -10.133
  190   HG23  THR  23          HG23      THR  23  -4.973 -10.207  -8.578
  191    H    ASN  24           H        ASN  24  -0.439 -10.613  -8.219
  192    HA   ASN  24           HA       ASN  24   1.620  -9.826  -8.069
  193    HB2  ASN  24           HB2      ASN  24   1.847 -10.391 -11.042
  194    HB3  ASN  24           HB3      ASN  24   3.196 -10.084  -9.939
  195   HD21  ASN  24          HD21      ASN  24   1.533 -12.560 -11.403
  196   HD22  ASN  24          HD22      ASN  24   1.943 -13.829 -10.244
  197    H    ALA  25           H        ALA  25  -0.645  -7.910  -8.993
  198    HA   ALA  25           HA       ALA  25   0.756  -5.592 -10.021
  199    HB1  ALA  25           HB1      ALA  25  -1.681  -5.949 -10.283
  200    HB2  ALA  25           HB2      ALA  25  -1.888  -5.840  -8.520
  201    HB3  ALA  25           HB3      ALA  25  -1.332  -4.427  -9.441
  202    H    SER  26           H        SER  26   1.228  -3.634  -8.861
  203    HA   SER  26           HA       SER  26   1.417  -3.771  -5.913
  204    HB2  SER  26           HB2      SER  26   3.675  -2.854  -5.896
  205    HB3  SER  26           HB3      SER  26   3.618  -4.456  -6.638
  206    HG   SER  26           HG       SER  26   4.893  -3.014  -7.855
  207    H    GLN  27           H        GLN  27   1.402  -1.745  -4.848
  208    HA   GLN  27           HA       GLN  27   0.947   0.722  -6.416
  209    HB2  GLN  27           HB2      GLN  27  -1.240  -0.701  -6.212
  210    HB3  GLN  27           HB3      GLN  27  -1.173  -0.303  -4.499
  211    HG2  GLN  27           HG2      GLN  27  -2.654   1.236  -5.514
  212    HG3  GLN  27           HG3      GLN  27  -1.196   2.146  -5.142
  213   HE21  GLN  27          HE21      GLN  27  -0.940   3.682  -6.804
  214   HE22  GLN  27          HE22      GLN  27  -1.145   3.283  -8.517
  215    H    PHE  28           H        PHE  28   1.329   2.579  -5.212
  216    HA   PHE  28           HA       PHE  28   2.376   2.240  -2.464
  217    HB2  PHE  28           HB2      PHE  28   2.556   4.511  -4.429
  218    HB3  PHE  28           HB3      PHE  28   2.960   4.696  -2.719
  219    HD1  PHE  28           HD1      PHE  28   4.857   3.470  -1.682
  220    HD2  PHE  28           HD2      PHE  28   4.059   3.278  -5.918
  221    HE1  PHE  28           HE1      PHE  28   7.162   2.635  -2.083
  222    HE2  PHE  28           HE2      PHE  28   6.362   2.433  -6.312
  223    HZ   PHE  28           HZ       PHE  28   7.919   2.122  -4.400
  224    H    GLU  29           H        GLU  29  -0.245   3.974  -4.029
  225    HA   GLU  29           HA       GLU  29  -1.463   4.953  -1.572
  226    HB2  GLU  29           HB2      GLU  29  -2.731   4.531  -4.320
  227    HB3  GLU  29           HB3      GLU  29  -3.316   5.529  -3.001
  228    HG2  GLU  29           HG2      GLU  29  -2.421   7.103  -4.407
  229    HG3  GLU  29           HG3      GLU  29  -1.131   6.887  -3.231
  230    H    ARG  30           H        ARG  30  -3.550   4.205  -0.759
  231    HA   ARG  30           HA       ARG  30  -3.767   1.404  -0.311
  232    HB2  ARG  30           HB2      ARG  30  -4.735   3.493   0.956
  233    HB3  ARG  30           HB3      ARG  30  -6.126   3.313  -0.094
  234    HG2  ARG  30           HG2      ARG  30  -4.991   1.251   1.846
  235    HG3  ARG  30           HG3      ARG  30  -6.396   2.283   2.127
  236    HD2  ARG  30           HD2      ARG  30  -6.177  -0.030   0.173
  237    HD3  ARG  30           HD3      ARG  30  -7.110   0.024   1.653
  238    HE   ARG  30           HE       ARG  30  -7.896   0.947  -0.954
  239   HH11  ARG  30          HH11      ARG  30  -8.488   1.632   2.442
  240   HH12  ARG  30          HH12      ARG  30 -10.087   2.252   2.123
  241   HH21  ARG  30          HH21      ARG  30  -9.974   1.726  -1.267
  242   HH22  ARG  30          HH22      ARG  30 -10.878   2.312   0.099
  243    HA   PRO  31           HA       PRO  31  -5.259   0.493  -4.455
  244    HB2  PRO  31           HB2      PRO  31  -5.948  -2.179  -4.155
  245    HB3  PRO  31           HB3      PRO  31  -4.279  -1.565  -4.361
  246    HG2  PRO  31           HG2      PRO  31  -5.722  -2.187  -1.764
  247    HG3  PRO  31           HG3      PRO  31  -4.084  -2.723  -2.267
  248    HD2  PRO  31           HD2      PRO  31  -4.333  -0.619  -0.660
  249    HD3  PRO  31           HD3      PRO  31  -3.210  -0.515  -2.041
  250    H    SER  32           H        SER  32  -7.188   0.393  -5.577
  251    HA   SER  32           HA       SER  32  -9.321   1.097  -5.910
  252    HB2  SER  32           HB2      SER  32  -9.936  -1.066  -3.876
  253    HB3  SER  32           HB3      SER  32 -11.128  -0.267  -4.915
  254    HG   SER  32           HG       SER  32 -10.399  -2.196  -5.856
  255    H    GLY  33           H        GLY  33  -8.271   3.051  -4.707
  256    HA2  GLY  33           HA2      GLY  33 -10.328   4.395  -3.217
  257    HA3  GLY  33           HA3      GLY  33  -9.014   3.917  -2.137
  258    H1'  ALL 101           H1       ALL  34  11.966   1.966  -0.549
  259    H2'  ALL 101           H2       ALL  34  13.609   4.169  -1.917
  260    H3'  ALL 101           H3       ALL  34  11.516   4.766  -3.076
  261    H4'  ALL 101           H4       ALL  34  13.010   3.205  -4.222
  262    H5'  ALL 101           H5       ALL  34  11.488   0.944  -2.856
  263   H6'1  ALL 101          H62       ALL  34  12.502   0.487  -5.188
  264   H6'2  ALL 101          H61       ALL  34  13.038  -0.567  -3.864
  265   HO'2  ALL 101          H2O       ALL  34  11.488   4.321   0.011
  266   HO'3  ALL 101          H3O       ALL  34   9.803   3.102  -2.919
  267   HO'4  ALL 101          H4O       ALL  34  11.047   3.528  -5.277
  268   HO'6  ALL 101          H6O       ALL  34  14.806   0.965  -3.575
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -10.663  -5.801   4.809
    2    H2   LYS   1           H2       LYS   1 -11.318  -4.305   4.952
    3    H3   LYS   1           H3       LYS   1 -10.841  -5.120   6.284
    4    HA   LYS   1           HA       LYS   1  -9.278  -3.392   5.793
    5    HB2  LYS   1           HB2      LYS   1  -8.495  -5.532   6.845
    6    HB3  LYS   1           HB3      LYS   1  -8.061  -6.129   5.245
    7    HG2  LYS   1           HG2      LYS   1  -6.562  -4.006   5.057
    8    HG3  LYS   1           HG3      LYS   1  -6.868  -3.788   6.782
    9    HD2  LYS   1           HD2      LYS   1  -5.925  -6.085   7.187
   10    HD3  LYS   1           HD3      LYS   1  -5.586  -6.221   5.446
   11    HE2  LYS   1           HE2      LYS   1  -4.173  -4.141   5.614
   12    HE3  LYS   1           HE3      LYS   1  -4.449  -4.137   7.364
   13    HZ1  LYS   1           HZ1      LYS   1  -2.376  -5.233   6.905
   14    HZ2  LYS   1           HZ2      LYS   1  -3.412  -6.401   7.381
   15    HZ3  LYS   1           HZ3      LYS   1  -3.029  -6.228   5.793
   16    H    LEU   2           H        LEU   2  -8.720  -5.843   3.213
   17    HA   LEU   2           HA       LEU   2  -8.466  -3.670   1.198
   18    HB2  LEU   2           HB2      LEU   2  -6.532  -5.917   1.868
   19    HB3  LEU   2           HB3      LEU   2  -6.481  -5.079   0.321
   20    HG   LEU   2           HG       LEU   2  -6.234  -3.537   2.922
   21   HD11  LEU   2          HD11      LEU   2  -4.012  -4.715   1.219
   22   HD12  LEU   2          HD12      LEU   2  -3.803  -3.608   2.595
   23   HD13  LEU   2          HD13      LEU   2  -4.451  -5.234   2.865
   24   HD21  LEU   2          HD21      LEU   2  -5.137  -1.889   1.493
   25   HD22  LEU   2          HD22      LEU   2  -5.288  -2.975   0.093
   26   HD23  LEU   2          HD23      LEU   2  -6.736  -2.259   0.835
   27    HA   PRO   3           HA       PRO   3 -10.804  -6.336  -1.450
   28    HB2  PRO   3           HB2      PRO   3  -9.089  -5.736  -3.802
   29    HB3  PRO   3           HB3      PRO   3 -10.806  -5.332  -3.520
   30    HG2  PRO   3           HG2      PRO   3  -8.831  -3.438  -3.459
   31    HG3  PRO   3           HG3      PRO   3 -10.262  -3.362  -2.374
   32    HD2  PRO   3           HD2      PRO   3  -7.491  -4.425  -1.749
   33    HD3  PRO   3           HD3      PRO   3  -8.511  -3.296  -0.810
   34    HA   PRO   4           HA       PRO   4  -9.209 -10.359  -2.068
   35    HB2  PRO   4           HB2      PRO   4  -9.857 -10.259  -5.022
   36    HB3  PRO   4           HB3      PRO   4 -10.195 -11.561  -3.835
   37    HG2  PRO   4           HG2      PRO   4 -12.159  -9.840  -4.516
   38    HG3  PRO   4           HG3      PRO   4 -11.913 -10.250  -2.784
   39    HD2  PRO   4           HD2      PRO   4 -10.977  -7.793  -4.292
   40    HD3  PRO   4           HD3      PRO   4 -11.754  -7.905  -2.680
   41    H    GLY   5           H        GLY   5  -7.230 -11.137  -2.094
   42    HA2  GLY   5           HA2      GLY   5  -5.110 -11.733  -2.781
   43    HA3  GLY   5           HA3      GLY   5  -5.331 -10.820  -4.283
   44    H    TRP   6           H        TRP   6  -6.008  -8.355  -2.420
   45    HA   TRP   6           HA       TRP   6  -3.290  -7.319  -2.414
   46    HB2  TRP   6           HB2      TRP   6  -5.933  -6.136  -1.581
   47    HB3  TRP   6           HB3      TRP   6  -4.395  -5.275  -1.457
   48    HD1  TRP   6           HD1      TRP   6  -6.990  -6.386  -3.962
   49    HE1  TRP   6           HE1      TRP   6  -6.556  -5.285  -6.243
   50    HE3  TRP   6           HE3      TRP   6  -2.326  -4.498  -3.050
   51    HZ2  TRP   6           HZ2      TRP   6  -4.343  -4.047  -7.584
   52    HZ3  TRP   6           HZ3      TRP   6  -1.043  -3.400  -4.879
   53    HH2  TRP   6           HH2      TRP   6  -2.034  -3.163  -7.142
   54    H    GLU   7           H        GLU   7  -1.893  -6.999  -0.817
   55    HA   GLU   7           HA       GLU   7  -2.771  -6.602   1.918
   56    HB2  GLU   7           HB2      GLU   7  -2.706  -8.945   2.115
   57    HB3  GLU   7           HB3      GLU   7  -1.233  -9.084   1.186
   58    HG2  GLU   7           HG2      GLU   7  -0.836  -9.618   3.490
   59    HG3  GLU   7           HG3      GLU   7   0.092  -8.206   3.022
   60    H    LYS   8           H        LYS   8  -1.334  -5.505   3.186
   61    HA   LYS   8           HA       LYS   8   0.512  -3.737   1.894
   62    HB2  LYS   8           HB2      LYS   8  -0.159  -4.305   4.784
   63    HB3  LYS   8           HB3      LYS   8   1.234  -3.298   4.369
   64    HG2  LYS   8           HG2      LYS   8  -0.190  -1.807   3.013
   65    HG3  LYS   8           HG3      LYS   8  -1.601  -2.797   3.400
   66    HD2  LYS   8           HD2      LYS   8  -1.636  -0.859   4.819
   67    HD3  LYS   8           HD3      LYS   8  -1.251  -2.255   5.836
   68    HE2  LYS   8           HE2      LYS   8   1.171  -1.638   5.739
   69    HE3  LYS   8           HE3      LYS   8   0.778  -0.270   4.692
   70    HZ1  LYS   8           HZ1      LYS   8  -0.537   0.664   6.516
   71    HZ2  LYS   8           HZ2      LYS   8  -0.191  -0.611   7.481
   72    HZ3  LYS   8           HZ3      LYS   8   0.995   0.406   7.015
   73    H    ARG   9           H        ARG   9   2.628  -3.480   1.951
   74    HA   ARG   9           HA       ARG   9   4.434  -5.760   2.598
   75    HB2  ARG   9           HB2      ARG   9   3.335  -5.225   0.029
   76    HB3  ARG   9           HB3      ARG   9   4.893  -4.455  -0.018
   77    HG2  ARG   9           HG2      ARG   9   5.005  -6.727  -0.894
   78    HG3  ARG   9           HG3      ARG   9   5.999  -6.590   0.566
   79    HD2  ARG   9           HD2      ARG   9   4.764  -8.704   0.473
   80    HD3  ARG   9           HD3      ARG   9   4.289  -7.756   1.889
   81    HE   ARG   9           HE       ARG   9   2.284  -7.010   0.468
   82   HH11  ARG   9          HH11      ARG   9   3.583 -10.266   0.260
   83   HH12  ARG   9          HH12      ARG   9   2.074 -10.902  -0.332
   84   HH21  ARG   9          HH21      ARG   9   0.483  -7.848  -0.382
   85   HH22  ARG   9          HH22      ARG   9   0.362  -9.561  -0.698
   86    H    MET  10           H        MET  10   6.771  -5.097   2.098
   87    HA   MET  10           HA       MET  10   7.381  -2.297   2.848
   88    HB2  MET  10           HB2      MET  10   6.718  -3.340   4.961
   89    HB3  MET  10           HB3      MET  10   7.800  -4.710   4.649
   90    HG2  MET  10           HG2      MET  10   8.892  -3.371   6.244
   91    HG3  MET  10           HG3      MET  10   9.751  -3.123   4.742
   92    HE1  MET  10           HE1      MET  10   8.017  -1.592   7.747
   93    HE2  MET  10           HE2      MET  10   7.297  -0.074   7.170
   94    HE3  MET  10           HE3      MET  10   6.594  -1.633   6.683
   95    H    PHE  11           H        PHE  11   9.224  -1.664   2.043
   96    HA   PHE  11           HA       PHE  11  11.172  -3.494   0.857
   97    HB2  PHE  11           HB2      PHE  11  10.900  -0.495   0.897
   98    HB3  PHE  11           HB3      PHE  11  12.323  -1.308   0.242
   99    HD1  PHE  11           HD1      PHE  11  11.781  -3.314  -1.471
  100    HD2  PHE  11           HD2      PHE  11   9.245   0.099  -0.697
  101    HE1  PHE  11           HE1      PHE  11  10.728  -3.582  -3.703
  102    HE2  PHE  11           HE2      PHE  11   8.217  -0.170  -2.935
  103    HZ   PHE  11           HZ       PHE  11   8.952  -2.003  -4.441
  104    H    ALA  12           H        ALA  12  13.464  -3.440   1.208
  105    HA   ALA  12           HA       ALA  12  14.216  -3.741   3.928
  106    HB1  ALA  12           HB1      ALA  12  15.937  -3.307   1.445
  107    HB2  ALA  12           HB2      ALA  12  16.486  -3.986   2.992
  108    HB3  ALA  12           HB3      ALA  12  15.298  -4.867   2.016
  109    H    ASN  13           H        ASN  13  14.153  -0.842   1.985
  110    HA   ASN  13           HA       ASN  13  15.845   0.738   3.794
  111    HB2  ASN  13           HB2      ASN  13  15.321   2.595   2.253
  112    HB3  ASN  13           HB3      ASN  13  15.957   1.167   1.425
  113   HD21  ASN  13          HD21      ASN  13  15.094   1.998  -0.528
  114    H    GLY  14           H        GLY  14  12.759  -0.398   4.236
  115    HA2  GLY  14           HA2      GLY  14  11.324   0.127   5.983
  116    HA3  GLY  14           HA3      GLY  14  12.122   1.692   6.217
  117    H    THR  15           H        THR  15  11.057   0.908   2.978
  118    HA   THR  15           HA       THR  15   8.900   2.953   3.129
  119    HB   THR  15           HB       THR  15  10.109   1.578   0.717
  120    HG1  THR  15           HG1      THR  15  11.623   2.762   1.514
  121   HG21  THR  15          HG21      THR  15   7.941   2.387   0.105
  122   HG22  THR  15          HG22      THR  15   8.219   3.946   0.930
  123   HG23  THR  15          HG23      THR  15   9.142   3.516  -0.529
  124    H    VAL  16           H        VAL  16   6.774   2.512   2.997
  125    HA   VAL  16           HA       VAL  16   5.889  -0.329   2.891
  126    HB   VAL  16           HB       VAL  16   4.558   2.278   3.727
  127   HG11  VAL  16          HG11      VAL  16   2.615   0.938   4.476
  128   HG12  VAL  16          HG12      VAL  16   2.759   0.951   2.725
  129   HG13  VAL  16          HG13      VAL  16   3.275  -0.487   3.641
  130   HG21  VAL  16          HG21      VAL  16   4.457   1.193   5.933
  131   HG22  VAL  16          HG22      VAL  16   5.201  -0.273   5.263
  132   HG23  VAL  16          HG23      VAL  16   6.131   1.243   5.354
  133    H    TYR  17           H        TYR  17   4.475  -1.112   1.413
  134    HA   TYR  17           HA       TYR  17   3.156   0.597  -0.561
  135    HB2  TYR  17           HB2      TYR  17   4.006  -0.520  -2.522
  136    HB3  TYR  17           HB3      TYR  17   5.318   0.207  -1.649
  137    HD1  TYR  17           HD1      TYR  17   6.824  -1.317  -0.174
  138    HD2  TYR  17           HD2      TYR  17   4.095  -2.793  -3.185
  139    HE1  TYR  17           HE1      TYR  17   8.167  -3.398  -0.384
  140    HE2  TYR  17           HE2      TYR  17   5.446  -4.876  -3.378
  141    HH   TYR  17           HH       TYR  17   8.448  -5.359  -1.501
  142    H    TYR  18           H        TYR  18   1.938  -1.013  -2.135
  143    HA   TYR  18           HA       TYR  18   0.589  -3.140  -0.523
  144    HB2  TYR  18           HB2      TYR  18  -0.593  -1.227  -2.577
  145    HB3  TYR  18           HB3      TYR  18  -1.455  -2.540  -1.764
  146    HD1  TYR  18           HD1      TYR  18   0.257   0.738  -1.223
  147    HD2  TYR  18           HD2      TYR  18  -2.395  -2.245   0.421
  148    HE1  TYR  18           HE1      TYR  18  -0.221   2.231   0.712
  149    HE2  TYR  18           HE2      TYR  18  -2.937  -0.716   2.296
  150    HH   TYR  18           HH       TYR  18  -2.472   1.281   3.317
  151    H    PHE  19           H        PHE  19   0.277  -5.101  -1.513
  152    HA   PHE  19           HA       PHE  19   0.973  -5.382  -4.396
  153    HB2  PHE  19           HB2      PHE  19   3.040  -5.737  -3.154
  154    HB3  PHE  19           HB3      PHE  19   2.243  -6.946  -2.139
  155    HD1  PHE  19           HD1      PHE  19   3.058  -6.120  -5.665
  156    HD2  PHE  19           HD2      PHE  19   2.218  -9.284  -2.864
  157    HE1  PHE  19           HE1      PHE  19   3.590  -7.774  -7.401
  158    HE2  PHE  19           HE2      PHE  19   2.822 -10.959  -4.589
  159    HZ   PHE  19           HZ       PHE  19   3.508 -10.224  -6.863
  160    H    ASN  20           H        ASN  20  -0.111  -6.898  -5.502
  161    HA   ASN  20           HA       ASN  20  -2.205  -8.432  -4.053
  162    HB2  ASN  20           HB2      ASN  20  -2.805  -6.819  -5.895
  163    HB3  ASN  20           HB3      ASN  20  -1.984  -7.899  -7.033
  164   HD21  ASN  20          HD21      ASN  20  -4.962  -7.112  -6.037
  165   HD22  ASN  20          HD22      ASN  20  -5.759  -8.674  -6.127
  166    H    HIS  21           H        HIS  21  -1.718 -10.498  -3.581
  167    HA   HIS  21           HA       HIS  21   0.567 -11.819  -4.790
  168    HB2  HIS  21           HB2      HIS  21   0.367 -13.374  -3.139
  169    HB3  HIS  21           HB3      HIS  21  -0.375 -11.977  -2.363
  170    HD2  HIS  21           HD2      HIS  21  -2.896 -12.258  -1.557
  171    HE1  HIS  21           HE1      HIS  21  -3.527 -16.251  -2.907
  172    HE2  HIS  21           HE2      HIS  21  -4.478 -14.360  -1.493
  173    H    ILE  22           H        ILE  22  -2.798 -11.786  -5.637
  174    HA   ILE  22           HA       ILE  22  -2.765 -14.348  -7.087
  175    HB   ILE  22           HB       ILE  22  -4.881 -12.161  -6.866
  176   HG12  ILE  22          HG12      ILE  22  -4.586 -14.784  -5.317
  177   HG13  ILE  22          HG13      ILE  22  -4.323 -13.158  -4.662
  178   HG21  ILE  22          HG21      ILE  22  -5.215 -13.576  -8.858
  179   HG22  ILE  22          HG22      ILE  22  -5.121 -15.036  -7.846
  180   HG23  ILE  22          HG23      ILE  22  -6.461 -13.881  -7.665
  181   HD11  ILE  22          HD11      ILE  22  -6.429 -13.823  -3.886
  182   HD12  ILE  22          HD12      ILE  22  -6.739 -12.631  -5.164
  183   HD13  ILE  22          HD13      ILE  22  -6.967 -14.369  -5.485
  184    H    THR  23           H        THR  23  -2.814 -10.875  -7.795
  185    HA   THR  23           HA       THR  23  -2.660 -11.395 -10.710
  186    HB   THR  23           HB       THR  23  -3.739  -9.387 -11.118
  187    HG1  THR  23           HG1      THR  23  -4.246  -8.191  -8.994
  188   HG21  THR  23          HG21      THR  23  -5.811  -9.450  -9.900
  189   HG22  THR  23          HG22      THR  23  -5.264 -11.120 -10.105
  190   HG23  THR  23          HG23      THR  23  -5.076 -10.312  -8.533
  191    H    ASN  24           H        ASN  24  -0.521 -10.473  -8.334
  192    HA   ASN  24           HA       ASN  24   1.502  -9.589  -8.244
  193    HB2  ASN  24           HB2      ASN  24   1.654 -10.088 -11.234
  194    HB3  ASN  24           HB3      ASN  24   3.022  -9.753 -10.164
  195   HD21  ASN  24          HD21      ASN  24   1.383 -12.255 -11.629
  196   HD22  ASN  24          HD22      ASN  24   1.887 -13.536 -10.522
  197    H    ALA  25           H        ALA  25  -0.882  -7.768  -9.054
  198    HA   ALA  25           HA       ALA  25   0.365  -5.379 -10.112
  199    HB1  ALA  25           HB1      ALA  25  -2.055  -5.842 -10.286
  200    HB2  ALA  25           HB2      ALA  25  -2.201  -5.781  -8.516
  201    HB3  ALA  25           HB3      ALA  25  -1.752  -4.322  -9.426
  202    H    SER  26           H        SER  26   0.869  -3.434  -8.973
  203    HA   SER  26           HA       SER  26   1.174  -3.558  -6.041
  204    HB2  SER  26           HB2      SER  26   3.474  -2.743  -6.107
  205    HB3  SER  26           HB3      SER  26   3.318  -4.347  -6.828
  206    HG   SER  26           HG       SER  26   4.616  -2.986  -8.103
  207    H    GLN  27           H        GLN  27   1.305  -1.556  -4.988
  208    HA   GLN  27           HA       GLN  27   1.195   0.980  -6.494
  209    HB2  GLN  27           HB2      GLN  27  -1.103  -0.053  -4.778
  210    HB3  GLN  27           HB3      GLN  27  -0.785   1.672  -5.021
  211    HG2  GLN  27           HG2      GLN  27  -1.069   1.506  -7.384
  212    HG3  GLN  27           HG3      GLN  27  -1.370  -0.246  -7.276
  213   HE21  GLN  27          HE21      GLN  27  -2.820   1.696  -4.688
  214   HE22  GLN  27          HE22      GLN  27  -4.421   1.749  -5.430
  215    H    PHE  28           H        PHE  28   1.712   2.815  -5.250
  216    HA   PHE  28           HA       PHE  28   2.839   2.296  -2.573
  217    HB2  PHE  28           HB2      PHE  28   3.080   4.630  -4.444
  218    HB3  PHE  28           HB3      PHE  28   3.550   4.727  -2.743
  219    HD1  PHE  28           HD1      PHE  28   5.322   3.211  -1.798
  220    HD2  PHE  28           HD2      PHE  28   4.514   3.473  -6.029
  221    HE1  PHE  28           HE1      PHE  28   7.537   2.195  -2.290
  222    HE2  PHE  28           HE2      PHE  28   6.727   2.452  -6.513
  223    HZ   PHE  28           HZ       PHE  28   8.242   1.818  -4.643
  224    H    GLU  29           H        GLU  29  -0.094   3.504  -3.788
  225    HA   GLU  29           HA       GLU  29  -0.948   4.301  -1.025
  226    HB2  GLU  29           HB2      GLU  29  -2.082   5.197  -3.700
  227    HB3  GLU  29           HB3      GLU  29  -2.804   5.522  -2.113
  228    HG2  GLU  29           HG2      GLU  29  -0.715   6.704  -1.426
  229    HG3  GLU  29           HG3      GLU  29  -0.064   6.474  -3.052
  230    H    ARG  30           H        ARG  30  -3.097   3.535  -0.364
  231    HA   ARG  30           HA       ARG  30  -3.341   0.779  -0.982
  232    HB2  ARG  30           HB2      ARG  30  -5.233   0.676   0.466
  233    HB3  ARG  30           HB3      ARG  30  -4.012   1.675   1.195
  234    HG2  ARG  30           HG2      ARG  30  -5.206   3.572   1.133
  235    HG3  ARG  30           HG3      ARG  30  -6.129   3.151  -0.329
  236    HD2  ARG  30           HD2      ARG  30  -6.530   1.927   2.420
  237    HD3  ARG  30           HD3      ARG  30  -7.565   3.158   1.681
  238    HE   ARG  30           HE       ARG  30  -7.753   1.287  -0.231
  239   HH11  ARG  30          HH11      ARG  30  -7.864   0.604   3.226
  240   HH12  ARG  30          HH12      ARG  30  -8.701  -0.909   2.944
  241   HH21  ARG  30          HH21      ARG  30  -8.931  -0.451  -0.454
  242   HH22  ARG  30          HH22      ARG  30  -9.472  -1.380   0.941
  243    HA   PRO  31           HA       PRO  31  -6.058   0.614  -4.507
  244    HB2  PRO  31           HB2      PRO  31  -7.266  -1.807  -4.176
  245    HB3  PRO  31           HB3      PRO  31  -5.535  -1.641  -4.622
  246    HG2  PRO  31           HG2      PRO  31  -6.729  -2.069  -1.867
  247    HG3  PRO  31           HG3      PRO  31  -5.377  -2.968  -2.628
  248    HD2  PRO  31           HD2      PRO  31  -4.966  -0.935  -0.893
  249    HD3  PRO  31           HD3      PRO  31  -3.879  -1.162  -2.274
  250    H    SER  32           H        SER  32  -8.240   0.911  -5.096
  251    HA   SER  32           HA       SER  32 -10.016   2.003  -3.078
  252    HB2  SER  32           HB2      SER  32 -11.540   2.375  -4.979
  253    HB3  SER  32           HB3      SER  32  -9.914   3.011  -5.264
  254    HG   SER  32           HG       SER  32 -10.739   1.862  -7.069
  255    H    GLY  33           H        GLY  33 -12.206   1.359  -2.705
  256    HA2  GLY  33           HA2      GLY  33 -13.310  -1.215  -3.378
  257    HA3  GLY  33           HA3      GLY  33 -12.576  -1.263  -1.774
  258    H1'  ALL 101           H1       ALL  34  12.179   1.454  -0.859
  259    H2'  ALL 101           H2       ALL  34  14.070   3.181  -2.557
  260    H3'  ALL 101           H3       ALL  34  12.178   3.549  -4.063
  261    H4'  ALL 101           H4       ALL  34  13.558   1.638  -4.653
  262    H5'  ALL 101           H5       ALL  34  11.788  -0.081  -2.866
  263   H6'1  ALL 101          H62       ALL  34  12.921  -1.190  -4.912
  264   H6'2  ALL 101          H61       ALL  34  13.276  -1.893  -3.321
  265   HO'2  ALL 101          H2O       ALL  34  13.100   4.192  -0.647
  266   HO'3  ALL 101          H3O       ALL  34  10.571   3.256  -2.373
  267   HO'4  ALL 101          H4O       ALL  34  10.748   1.297  -4.744
  268   HO'6  ALL 101          H6O       ALL  34  15.133  -0.435  -3.278
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1 -10.188  -6.219   4.784
    2    H2   LYS   1           H2       LYS   1 -11.605  -5.523   4.347
    3    H3   LYS   1           H3       LYS   1 -11.220  -5.668   5.928
    4    HA   LYS   1           HA       LYS   1 -10.948  -3.408   5.225
    5    HB2  LYS   1           HB2      LYS   1  -9.524  -4.235   7.026
    6    HB3  LYS   1           HB3      LYS   1  -8.309  -4.782   5.869
    7    HG2  LYS   1           HG2      LYS   1  -7.915  -2.440   5.155
    8    HG3  LYS   1           HG3      LYS   1  -9.196  -1.884   6.250
    9    HD2  LYS   1           HD2      LYS   1  -7.910  -2.736   8.190
   10    HD3  LYS   1           HD3      LYS   1  -6.633  -3.315   7.097
   11    HE2  LYS   1           HE2      LYS   1  -6.231  -1.003   6.318
   12    HE3  LYS   1           HE3      LYS   1  -7.533  -0.410   7.362
   13    HZ1  LYS   1           HZ1      LYS   1  -6.255  -1.170   9.285
   14    HZ2  LYS   1           HZ2      LYS   1  -5.053  -1.731   8.329
   15    HZ3  LYS   1           HZ3      LYS   1  -5.360  -0.127   8.406
   16    H    LEU   2           H        LEU   2  -8.108  -5.004   3.701
   17    HA   LEU   2           HA       LEU   2  -8.200  -3.286   1.348
   18    HB2  LEU   2           HB2      LEU   2  -6.563  -5.624   2.338
   19    HB3  LEU   2           HB3      LEU   2  -6.560  -5.273   0.610
   20    HG   LEU   2           HG       LEU   2  -5.694  -3.043   0.949
   21   HD11  LEU   2          HD11      LEU   2  -6.600  -2.392   3.120
   22   HD12  LEU   2          HD12      LEU   2  -5.635  -3.657   3.928
   23   HD13  LEU   2          HD13      LEU   2  -4.832  -2.286   3.121
   24   HD21  LEU   2          HD21      LEU   2  -3.469  -3.717   1.927
   25   HD22  LEU   2          HD22      LEU   2  -4.205  -5.234   2.450
   26   HD23  LEU   2          HD23      LEU   2  -4.096  -4.844   0.716
   27    HA   PRO   3           HA       PRO   3 -10.935  -5.815  -1.162
   28    HB2  PRO   3           HB2      PRO   3 -10.017  -5.346  -3.706
   29    HB3  PRO   3           HB3      PRO   3 -10.859  -4.108  -2.720
   30    HG2  PRO   3           HG2      PRO   3  -7.869  -4.511  -3.045
   31    HG3  PRO   3           HG3      PRO   3  -8.804  -3.000  -3.246
   32    HD2  PRO   3           HD2      PRO   3  -7.514  -3.604  -0.929
   33    HD3  PRO   3           HD3      PRO   3  -9.111  -2.792  -0.902
   34    HA   PRO   4           HA       PRO   4  -9.385  -9.813  -1.715
   35    HB2  PRO   4           HB2      PRO   4 -10.360  -9.862  -4.580
   36    HB3  PRO   4           HB3      PRO   4 -10.568 -11.098  -3.296
   37    HG2  PRO   4           HG2      PRO   4 -12.588  -9.393  -3.837
   38    HG3  PRO   4           HG3      PRO   4 -12.145  -9.713  -2.126
   39    HD2  PRO   4           HD2      PRO   4 -11.379  -7.351  -3.860
   40    HD3  PRO   4           HD3      PRO   4 -11.967  -7.374  -2.168
   41    H    GLY   5           H        GLY   5  -7.512 -10.810  -2.051
   42    HA2  GLY   5           HA2      GLY   5  -5.513 -11.491  -2.980
   43    HA3  GLY   5           HA3      GLY   5  -5.841 -10.510  -4.419
   44    H    TRP   6           H        TRP   6  -6.160  -8.048  -2.511
   45    HA   TRP   6           HA       TRP   6  -3.344  -7.280  -2.614
   46    HB2  TRP   6           HB2      TRP   6  -5.822  -5.758  -1.810
   47    HB3  TRP   6           HB3      TRP   6  -4.184  -5.102  -1.764
   48    HD1  TRP   6           HD1      TRP   6  -6.849  -6.239  -4.241
   49    HE1  TRP   6           HE1      TRP   6  -6.361  -5.274  -6.570
   50    HE3  TRP   6           HE3      TRP   6  -2.162  -4.357  -3.372
   51    HZ2  TRP   6           HZ2      TRP   6  -4.163  -4.001  -7.921
   52    HZ3  TRP   6           HZ3      TRP   6  -0.870  -3.314  -5.240
   53    HH2  TRP   6           HH2      TRP   6  -1.856  -3.140  -7.499
   54    H    GLU   7           H        GLU   7  -1.943  -6.851  -1.028
   55    HA   GLU   7           HA       GLU   7  -2.677  -6.900   1.822
   56    HB2  GLU   7           HB2      GLU   7  -2.370  -9.226   1.439
   57    HB3  GLU   7           HB3      GLU   7  -0.974  -8.960   0.412
   58    HG2  GLU   7           HG2      GLU   7  -0.357 -10.002   2.489
   59    HG3  GLU   7           HG3      GLU   7   0.437  -8.458   2.276
   60    H    LYS   8           H        LYS   8  -1.031  -6.024   3.205
   61    HA   LYS   8           HA       LYS   8   0.593  -3.925   2.015
   62    HB2  LYS   8           HB2      LYS   8   0.248  -4.975   4.829
   63    HB3  LYS   8           HB3      LYS   8   1.589  -3.890   4.437
   64    HG2  LYS   8           HG2      LYS   8   0.045  -2.206   3.539
   65    HG3  LYS   8           HG3      LYS   8  -1.326  -3.275   3.851
   66    HD2  LYS   8           HD2      LYS   8  -1.237  -1.627   5.604
   67    HD3  LYS   8           HD3      LYS   8  -0.785  -3.188   6.305
   68    HE2  LYS   8           HE2      LYS   8   1.628  -2.549   6.132
   69    HE3  LYS   8           HE3      LYS   8   1.162  -1.004   5.410
   70    HZ1  LYS   8           HZ1      LYS   8   1.569  -0.792   7.795
   71    HZ2  LYS   8           HZ2      LYS   8  -0.000  -0.465   7.484
   72    HZ3  LYS   8           HZ3      LYS   8   0.422  -1.899   8.146
   73    H    ARG   9           H        ARG   9   2.702  -3.656   1.809
   74    HA   ARG   9           HA       ARG   9   4.635  -5.884   2.201
   75    HB2  ARG   9           HB2      ARG   9   3.389  -5.555  -0.250
   76    HB3  ARG   9           HB3      ARG   9   4.687  -4.394  -0.405
   77    HG2  ARG   9           HG2      ARG   9   5.659  -6.270  -1.301
   78    HG3  ARG   9           HG3      ARG   9   6.222  -6.432   0.370
   79    HD2  ARG   9           HD2      ARG   9   3.953  -7.903  -1.034
   80    HD3  ARG   9           HD3      ARG   9   5.481  -8.579  -0.450
   81    HE   ARG   9           HE       ARG   9   3.325  -7.480   1.347
   82   HH11  ARG   9          HH11      ARG   9   5.105 -10.912   2.255
   83   HH12  ARG   9          HH12      ARG   9   5.566 -10.131   0.763
   84   HH21  ARG   9          HH21      ARG   9   2.865  -8.449   3.154
   85   HH22  ARG   9          HH22      ARG   9   3.589  -9.988   3.585
   86    H    MET  10           H        MET  10   6.925  -5.088   1.843
   87    HA   MET  10           HA       MET  10   7.305  -2.195   2.156
   88    HB2  MET  10           HB2      MET  10   6.652  -3.063   4.443
   89    HB3  MET  10           HB3      MET  10   8.114  -4.070   4.411
   90    HG2  MET  10           HG2      MET  10   9.463  -1.938   4.148
   91    HG3  MET  10           HG3      MET  10   7.958  -1.035   4.287
   92    HE1  MET  10           HE1      MET  10  10.182  -3.260   7.669
   93    HE2  MET  10           HE2      MET  10   9.515  -4.155   6.290
   94    HE3  MET  10           HE3      MET  10  10.799  -2.951   6.031
   95    H    PHE  11           H        PHE  11   9.215  -1.494   1.545
   96    HA   PHE  11           HA       PHE  11  11.223  -3.236   0.393
   97    HB2  PHE  11           HB2      PHE  11  10.983  -0.247   0.731
   98    HB3  PHE  11           HB3      PHE  11  12.402  -1.015   0.012
   99    HD1  PHE  11           HD1      PHE  11  11.982  -2.682  -1.969
  100    HD2  PHE  11           HD2      PHE  11   9.190   0.376  -0.724
  101    HE1  PHE  11           HE1      PHE  11  10.915  -2.732  -4.211
  102    HE2  PHE  11           HE2      PHE  11   8.138   0.312  -2.962
  103    HZ   PHE  11           HZ       PHE  11   8.996  -1.228  -4.712
  104    H    ALA  12           H        ALA  12  13.519  -3.207   0.851
  105    HA   ALA  12           HA       ALA  12  14.129  -3.808   3.554
  106    HB1  ALA  12           HB1      ALA  12  15.311  -4.721   1.589
  107    HB2  ALA  12           HB2      ALA  12  15.982  -3.111   1.231
  108    HB3  ALA  12           HB3      ALA  12  16.445  -3.963   2.720
  109    H    ASN  13           H        ASN  13  14.159  -0.712   1.949
  110    HA   ASN  13           HA       ASN  13  15.769   0.668   3.980
  111    HB2  ASN  13           HB2      ASN  13  15.229   2.682   2.659
  112    HB3  ASN  13           HB3      ASN  13  15.875   1.372   1.658
  113   HD21  ASN  13          HD21      ASN  13  14.957   2.588  -0.125
  114    H    GLY  14           H        GLY  14  12.642  -0.525   4.137
  115    HA2  GLY  14           HA2      GLY  14  11.129  -0.231   5.879
  116    HA3  GLY  14           HA3      GLY  14  11.899   1.295   6.343
  117    H    THR  15           H        THR  15  10.979   0.882   2.972
  118    HA   THR  15           HA       THR  15   8.813   2.906   3.281
  119    HB   THR  15           HB       THR  15  10.021   1.759   0.751
  120    HG1  THR  15           HG1      THR  15  11.518   2.858   1.834
  121   HG21  THR  15          HG21      THR  15   9.054   3.897  -0.236
  122   HG22  THR  15          HG22      THR  15   7.903   2.622   0.173
  123   HG23  THR  15          HG23      THR  15   8.087   4.041   1.243
  124    H    VAL  16           H        VAL  16   6.711   2.368   3.293
  125    HA   VAL  16           HA       VAL  16   5.925  -0.454   2.813
  126    HB   VAL  16           HB       VAL  16   4.539   1.905   4.138
  127   HG11  VAL  16          HG11      VAL  16   2.759   0.526   3.158
  128   HG12  VAL  16          HG12      VAL  16   3.492  -0.944   3.846
  129   HG13  VAL  16          HG13      VAL  16   2.811   0.314   4.903
  130   HG21  VAL  16          HG21      VAL  16   6.367   0.855   5.456
  131   HG22  VAL  16          HG22      VAL  16   4.782   0.552   6.184
  132   HG23  VAL  16          HG23      VAL  16   5.585  -0.731   5.260
  133    H    TYR  17           H        TYR  17   4.405  -1.107   1.404
  134    HA   TYR  17           HA       TYR  17   2.866   0.717  -0.293
  135    HB2  TYR  17           HB2      TYR  17   3.700  -0.127  -2.393
  136    HB3  TYR  17           HB3      TYR  17   5.010   0.575  -1.497
  137    HD1  TYR  17           HD1      TYR  17   6.706  -0.958  -0.326
  138    HD2  TYR  17           HD2      TYR  17   3.817  -2.370  -3.208
  139    HE1  TYR  17           HE1      TYR  17   8.149  -2.921  -0.818
  140    HE2  TYR  17           HE2      TYR  17   5.264  -4.341  -3.686
  141    HH   TYR  17           HH       TYR  17   8.464  -4.741  -2.142
  142    H    TYR  18           H        TYR  18   1.766  -0.973  -2.047
  143    HA   TYR  18           HA       TYR  18   0.606  -3.215  -0.438
  144    HB2  TYR  18           HB2      TYR  18  -0.842  -1.284  -2.285
  145    HB3  TYR  18           HB3      TYR  18  -1.560  -2.628  -1.382
  146    HD1  TYR  18           HD1      TYR  18  -0.077   0.761  -1.122
  147    HD2  TYR  18           HD2      TYR  18  -2.001  -2.439   1.032
  148    HE1  TYR  18           HE1      TYR  18  -0.344   2.250   0.859
  149    HE2  TYR  18           HE2      TYR  18  -2.299  -0.945   2.993
  150    HH   TYR  18           HH       TYR  18  -1.882   1.121   3.881
  151    H    PHE  19           H        PHE  19   0.148  -5.081  -1.498
  152    HA   PHE  19           HA       PHE  19   1.027  -5.401  -4.342
  153    HB2  PHE  19           HB2      PHE  19   2.942  -5.744  -2.892
  154    HB3  PHE  19           HB3      PHE  19   2.013  -6.870  -1.886
  155    HD1  PHE  19           HD1      PHE  19   3.185  -6.305  -5.369
  156    HD2  PHE  19           HD2      PHE  19   2.022  -9.234  -2.428
  157    HE1  PHE  19           HE1      PHE  19   3.834  -8.091  -6.919
  158    HE2  PHE  19           HE2      PHE  19   2.745 -11.046  -3.963
  159    HZ   PHE  19           HZ       PHE  19   3.650 -10.495  -6.215
  160    H    ASN  20           H        ASN  20  -0.133  -6.822  -5.539
  161    HA   ASN  20           HA       ASN  20  -2.278  -8.362  -4.184
  162    HB2  ASN  20           HB2      ASN  20  -2.787  -6.854  -6.133
  163    HB3  ASN  20           HB3      ASN  20  -1.869  -7.970  -7.159
  164   HD21  ASN  20          HD21      ASN  20  -5.668  -8.869  -6.266
  165   HD22  ASN  20          HD22      ASN  20  -4.957  -7.282  -5.980
  166    H    HIS  21           H        HIS  21  -1.888 -10.419  -3.630
  167    HA   HIS  21           HA       HIS  21   0.510 -11.779  -4.542
  168    HB2  HIS  21           HB2      HIS  21   0.124 -13.285  -2.865
  169    HB3  HIS  21           HB3      HIS  21  -0.643 -11.837  -2.216
  170    HD2  HIS  21           HD2      HIS  21  -3.240 -12.015  -1.646
  171    HE1  HIS  21           HE1      HIS  21  -3.856 -16.050  -2.870
  172    HE2  HIS  21           HE2      HIS  21  -4.884 -14.070  -1.644
  173    H    ILE  22           H        ILE  22  -2.745 -11.782  -5.725
  174    HA   ILE  22           HA       ILE  22  -2.622 -14.417  -7.011
  175    HB   ILE  22           HB       ILE  22  -4.694 -12.191  -7.244
  176   HG12  ILE  22          HG12      ILE  22  -4.638 -14.563  -5.316
  177   HG13  ILE  22          HG13      ILE  22  -4.414 -12.862  -4.868
  178   HG21  ILE  22          HG21      ILE  22  -6.210 -13.981  -7.984
  179   HG22  ILE  22          HG22      ILE  22  -4.814 -13.886  -9.041
  180   HG23  ILE  22          HG23      ILE  22  -4.900 -15.175  -7.819
  181   HD11  ILE  22          HD11      ILE  22  -6.609 -13.432  -4.259
  182   HD12  ILE  22          HD12      ILE  22  -6.733 -12.376  -5.681
  183   HD13  ILE  22          HD13      ILE  22  -6.978 -14.136  -5.843
  184    H    THR  23           H        THR  23  -2.503 -10.996  -7.936
  185    HA   THR  23           HA       THR  23  -2.004 -11.694 -10.778
  186    HB   THR  23           HB       THR  23  -2.963  -9.660 -11.409
  187    HG1  THR  23           HG1      THR  23  -3.744  -8.351  -9.491
  188   HG21  THR  23          HG21      THR  23  -4.631 -11.366 -10.574
  189   HG22  THR  23          HG22      THR  23  -4.673 -10.497  -9.024
  190   HG23  THR  23          HG23      THR  23  -5.190  -9.687 -10.517
  191    H    ASN  24           H        ASN  24  -0.163 -10.677  -8.200
  192    HA   ASN  24           HA       ASN  24   1.853  -9.822  -7.901
  193    HB2  ASN  24           HB2      ASN  24   2.364 -10.453 -10.826
  194    HB3  ASN  24           HB3      ASN  24   3.595 -10.102  -9.604
  195   HD21  ASN  24          HD21      ASN  24   2.124 -12.631 -11.179
  196   HD22  ASN  24          HD22      ASN  24   2.438 -13.875  -9.964
  197    H    ALA  25           H        ALA  25  -0.376  -8.003  -9.025
  198    HA   ALA  25           HA       ALA  25   1.015  -5.679 -10.057
  199    HB1  ALA  25           HB1      ALA  25  -1.694  -5.951  -8.679
  200    HB2  ALA  25           HB2      ALA  25  -1.129  -4.557  -9.625
  201    HB3  ALA  25           HB3      ALA  25  -1.399  -6.119 -10.424
  202    H    SER  26           H        SER  26   1.478  -3.705  -8.938
  203    HA   SER  26           HA       SER  26   1.481  -3.733  -5.979
  204    HB2  SER  26           HB2      SER  26   3.784  -2.969  -5.841
  205    HB3  SER  26           HB3      SER  26   3.683  -4.573  -6.576
  206    HG   SER  26           HG       SER  26   5.111  -3.232  -7.719
  207    H    GLN  27           H        GLN  27   1.403  -1.676  -4.996
  208    HA   GLN  27           HA       GLN  27   1.604   0.765  -6.586
  209    HB2  GLN  27           HB2      GLN  27  -0.645   1.497  -6.440
  210    HB3  GLN  27           HB3      GLN  27  -0.684  -0.126  -7.134
  211    HG2  GLN  27           HG2      GLN  27  -1.421  -1.061  -4.977
  212    HG3  GLN  27           HG3      GLN  27  -1.308   0.527  -4.237
  213   HE21  GLN  27          HE21      GLN  27  -3.322   1.362  -3.949
  214   HE22  GLN  27          HE22      GLN  27  -4.625   1.279  -5.153
  215    H    PHE  28           H        PHE  28   1.534   2.716  -5.320
  216    HA   PHE  28           HA       PHE  28   2.482   2.258  -2.598
  217    HB2  PHE  28           HB2      PHE  28   2.597   4.631  -4.423
  218    HB3  PHE  28           HB3      PHE  28   3.008   4.743  -2.709
  219    HD1  PHE  28           HD1      PHE  28   4.125   3.526  -5.974
  220    HD2  PHE  28           HD2      PHE  28   4.908   3.447  -1.729
  221    HE1  PHE  28           HE1      PHE  28   6.426   2.701  -6.412
  222    HE2  PHE  28           HE2      PHE  28   7.209   2.629  -2.176
  223    HZ   PHE  28           HZ       PHE  28   7.973   2.259  -4.515
  224    H    GLU  29           H        GLU  29  -0.455   3.633  -3.862
  225    HA   GLU  29           HA       GLU  29  -1.295   4.619  -1.181
  226    HB2  GLU  29           HB2      GLU  29  -2.665   4.689  -3.898
  227    HB3  GLU  29           HB3      GLU  29  -3.348   5.355  -2.422
  228    HG2  GLU  29           HG2      GLU  29  -0.763   6.283  -3.753
  229    HG3  GLU  29           HG3      GLU  29  -2.332   7.065  -3.891
  230    H    ARG  30           H        ARG  30  -3.269   3.868  -0.158
  231    HA   ARG  30           HA       ARG  30  -3.378   1.036  -0.055
  232    HB2  ARG  30           HB2      ARG  30  -4.059   2.832   1.726
  233    HB3  ARG  30           HB3      ARG  30  -5.643   2.767   0.963
  234    HG2  ARG  30           HG2      ARG  30  -4.973   0.040   1.358
  235    HG3  ARG  30           HG3      ARG  30  -4.266   0.866   2.751
  236    HD2  ARG  30           HD2      ARG  30  -6.319   0.369   3.572
  237    HD3  ARG  30           HD3      ARG  30  -6.651   1.992   2.952
  238    HE   ARG  30           HE       ARG  30  -7.262   0.289   0.815
  239   HH11  ARG  30          HH11      ARG  30  -8.453   0.416   4.124
  240   HH12  ARG  30          HH12      ARG  30  -9.873  -0.511   3.701
  241   HH21  ARG  30          HH21      ARG  30  -9.025  -0.813   0.398
  242   HH22  ARG  30          HH22      ARG  30 -10.110  -1.334   1.691
  243    HA   PRO  31           HA       PRO  31  -6.163   0.442  -3.577
  244    HB2  PRO  31           HB2      PRO  31  -6.469  -2.288  -3.442
  245    HB3  PRO  31           HB3      PRO  31  -5.010  -1.482  -4.094
  246    HG2  PRO  31           HG2      PRO  31  -5.455  -2.613  -1.323
  247    HG3  PRO  31           HG3      PRO  31  -4.025  -2.807  -2.389
  248    HD2  PRO  31           HD2      PRO  31  -4.071  -0.997  -0.385
  249    HD3  PRO  31           HD3      PRO  31  -3.264  -0.637  -1.941
  250    H    SER  32           H        SER  32  -8.363  -0.103  -3.986
  251    HA   SER  32           HA       SER  32 -10.119  -0.995  -1.805
  252    HB2  SER  32           HB2      SER  32  -9.850   1.446  -1.399
  253    HB3  SER  32           HB3      SER  32 -10.466   1.764  -3.032
  254    HG   SER  32           HG       SER  32 -12.097   1.877  -1.415
  255    H    GLY  33           H        GLY  33 -12.240  -1.525  -2.516
  256    HA2  GLY  33           HA2      GLY  33 -13.182  -1.422  -5.226
  257    HA3  GLY  33           HA3      GLY  33 -12.386  -2.972  -4.935
  258    H1'  ALL 101           H1       ALL  34  12.066   1.962  -0.531
  259    H2'  ALL 101           H2       ALL  34  13.827   4.095  -1.854
  260    H3'  ALL 101           H3       ALL  34  11.909   4.676  -3.240
  261    H4'  ALL 101           H4       ALL  34  13.380   2.994  -4.202
  262    H5'  ALL 101           H5       ALL  34  11.686   0.874  -2.808
  263   H6'1  ALL 101          H62       ALL  34  12.825   0.249  -5.051
  264   H6'2  ALL 101          H61       ALL  34  13.219  -0.754  -3.639
  265   HO'2  ALL 101          H2O       ALL  34  11.738   4.244   0.073
  266   HO'3  ALL 101          H3O       ALL  34  10.197   4.093  -1.896
  267   HO'4  ALL 101          H4O       ALL  34  10.586   2.575  -4.387
  268   HO'6  ALL 101          H6O       ALL  34  15.030   0.729  -3.309
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1 -10.467  -3.898   7.010
    2    H2   LYS   1           H2       LYS   1 -11.310  -4.145   5.626
    3    H3   LYS   1           H3       LYS   1 -10.450  -2.771   5.822
    4    HA   LYS   1           HA       LYS   1  -8.385  -3.958   5.828
    5    HB2  LYS   1           HB2      LYS   1  -9.341  -6.021   6.853
    6    HB3  LYS   1           HB3      LYS   1 -10.126  -6.410   5.328
    7    HG2  LYS   1           HG2      LYS   1  -8.154  -7.773   5.671
    8    HG3  LYS   1           HG3      LYS   1  -7.933  -6.763   4.257
    9    HD2  LYS   1           HD2      LYS   1  -6.597  -5.149   5.776
   10    HD3  LYS   1           HD3      LYS   1  -6.692  -6.388   7.027
   11    HE2  LYS   1           HE2      LYS   1  -5.464  -6.738   4.247
   12    HE3  LYS   1           HE3      LYS   1  -4.556  -6.393   5.717
   13    HZ1  LYS   1           HZ1      LYS   1  -6.152  -8.848   5.248
   14    HZ2  LYS   1           HZ2      LYS   1  -4.519  -8.728   5.208
   15    HZ3  LYS   1           HZ3      LYS   1  -5.318  -8.513   6.622
   16    H    LEU   2           H        LEU   2  -7.274  -4.652   3.827
   17    HA   LEU   2           HA       LEU   2  -8.037  -3.261   1.485
   18    HB2  LEU   2           HB2      LEU   2  -5.986  -5.374   2.230
   19    HB3  LEU   2           HB3      LEU   2  -6.259  -5.013   0.526
   20    HG   LEU   2           HG       LEU   2  -5.798  -2.611   0.933
   21   HD11  LEU   2          HD11      LEU   2  -4.972  -3.557   3.713
   22   HD12  LEU   2          HD12      LEU   2  -4.506  -2.003   2.996
   23   HD13  LEU   2          HD13      LEU   2  -6.215  -2.342   3.317
   24   HD21  LEU   2          HD21      LEU   2  -3.523  -4.390   1.875
   25   HD22  LEU   2          HD22      LEU   2  -4.068  -4.295   0.188
   26   HD23  LEU   2          HD23      LEU   2  -3.445  -2.853   0.975
   27    HA   PRO   3           HA       PRO   3 -10.763  -5.978  -0.729
   28    HB2  PRO   3           HB2      PRO   3 -10.075  -5.590  -3.359
   29    HB3  PRO   3           HB3      PRO   3 -10.850  -4.323  -2.354
   30    HG2  PRO   3           HG2      PRO   3  -7.883  -4.719  -2.886
   31    HG3  PRO   3           HG3      PRO   3  -8.843  -3.230  -3.114
   32    HD2  PRO   3           HD2      PRO   3  -7.417  -3.636  -0.862
   33    HD3  PRO   3           HD3      PRO   3  -9.047  -2.907  -0.755
   34    HA   PRO   4           HA       PRO   4  -9.114  -9.976  -1.379
   35    HB2  PRO   4           HB2      PRO   4 -10.397 -10.065  -4.118
   36    HB3  PRO   4           HB3      PRO   4 -10.416 -11.305  -2.822
   37    HG2  PRO   4           HG2      PRO   4 -12.550  -9.683  -3.146
   38    HG3  PRO   4           HG3      PRO   4 -11.920  -9.987  -1.491
   39    HD2  PRO   4           HD2      PRO   4 -11.433  -7.592  -3.282
   40    HD3  PRO   4           HD3      PRO   4 -11.839  -7.642  -1.538
   41    H    GLY   5           H        GLY   5  -7.296 -10.982  -2.034
   42    HA2  GLY   5           HA2      GLY   5  -5.364 -11.499  -3.197
   43    HA3  GLY   5           HA3      GLY   5  -5.853 -10.409  -4.509
   44    H    TRP   6           H        TRP   6  -6.125  -8.072  -2.609
   45    HA   TRP   6           HA       TRP   6  -3.322  -7.240  -2.638
   46    HB2  TRP   6           HB2      TRP   6  -5.874  -5.781  -1.932
   47    HB3  TRP   6           HB3      TRP   6  -4.256  -5.082  -1.849
   48    HD1  TRP   6           HD1      TRP   6  -6.827  -6.231  -4.416
   49    HE1  TRP   6           HE1      TRP   6  -6.237  -5.244  -6.712
   50    HE3  TRP   6           HE3      TRP   6  -2.176  -4.401  -3.320
   51    HZ2  TRP   6           HZ2      TRP   6  -3.938  -4.034  -7.967
   52    HZ3  TRP   6           HZ3      TRP   6  -0.778  -3.389  -5.104
   53    HH2  TRP   6           HH2      TRP   6  -1.641  -3.195  -7.424
   54    H    GLU   7           H        GLU   7  -1.978  -6.798  -0.986
   55    HA   GLU   7           HA       GLU   7  -2.888  -6.767   1.818
   56    HB2  GLU   7           HB2      GLU   7  -2.468  -9.168   1.225
   57    HB3  GLU   7           HB3      GLU   7  -0.823  -8.753   0.763
   58    HG2  GLU   7           HG2      GLU   7  -0.959  -9.831   2.970
   59    HG3  GLU   7           HG3      GLU   7  -0.251  -8.230   3.073
   60    H    LYS   8           H        LYS   8  -1.194  -5.985   3.299
   61    HA   LYS   8           HA       LYS   8   0.496  -3.889   2.231
   62    HB2  LYS   8           HB2      LYS   8   0.151  -5.135   4.962
   63    HB3  LYS   8           HB3      LYS   8   1.534  -4.082   4.632
   64    HG2  LYS   8           HG2      LYS   8   0.050  -2.271   3.888
   65    HG3  LYS   8           HG3      LYS   8  -1.365  -3.297   4.163
   66    HD2  LYS   8           HD2      LYS   8  -1.137  -1.768   6.016
   67    HD3  LYS   8           HD3      LYS   8  -0.778  -3.400   6.596
   68    HE2  LYS   8           HE2      LYS   8   1.661  -2.916   6.439
   69    HE3  LYS   8           HE3      LYS   8   1.307  -1.303   5.812
   70    HZ1  LYS   8           HZ1      LYS   8   1.743  -1.257   8.199
   71    HZ2  LYS   8           HZ2      LYS   8   0.199  -0.801   7.924
   72    HZ3  LYS   8           HZ3      LYS   8   0.522  -2.297   8.499
   73    H    ARG   9           H        ARG   9   2.594  -3.656   2.014
   74    HA   ARG   9           HA       ARG   9   4.478  -5.951   2.142
   75    HB2  ARG   9           HB2      ARG   9   3.135  -5.510  -0.169
   76    HB3  ARG   9           HB3      ARG   9   4.317  -4.234  -0.351
   77    HG2  ARG   9           HG2      ARG   9   5.071  -6.169  -1.534
   78    HG3  ARG   9           HG3      ARG   9   6.139  -6.000  -0.123
   79    HD2  ARG   9           HD2      ARG   9   4.949  -7.803   1.029
   80    HD3  ARG   9           HD3      ARG   9   3.698  -7.824  -0.238
   81    HE   ARG   9           HE       ARG   9   6.392  -8.314  -1.254
   82   HH11  ARG   9          HH11      ARG   9   6.829 -10.268  -2.199
   83   HH12  ARG   9          HH12      ARG   9   5.794 -11.636  -1.895
   84   HH21  ARG   9          HH21      ARG   9   3.639  -9.954   0.173
   85   HH22  ARG   9          HH22      ARG   9   4.035 -11.468  -0.599
   86    H    MET  10           H        MET  10   6.780  -5.174   1.814
   87    HA   MET  10           HA       MET  10   7.224  -2.302   2.217
   88    HB2  MET  10           HB2      MET  10   6.611  -3.197   4.490
   89    HB3  MET  10           HB3      MET  10   8.028  -4.262   4.398
   90    HG2  MET  10           HG2      MET  10   9.469  -2.201   4.171
   91    HG3  MET  10           HG3      MET  10   8.013  -1.221   4.329
   92    HE1  MET  10           HE1      MET  10  10.129  -3.596   7.679
   93    HE2  MET  10           HE2      MET  10   9.406  -4.440   6.296
   94    HE3  MET  10           HE3      MET  10  10.754  -3.308   6.041
   95    H    PHE  11           H        PHE  11   9.114  -1.618   1.553
   96    HA   PHE  11           HA       PHE  11  11.029  -3.373   0.278
   97    HB2  PHE  11           HB2      PHE  11  10.869  -0.385   0.670
   98    HB3  PHE  11           HB3      PHE  11  12.226  -1.171  -0.143
   99    HD1  PHE  11           HD1      PHE  11   9.039   0.318  -0.682
  100    HD2  PHE  11           HD2      PHE  11  11.619  -2.850  -2.091
  101    HE1  PHE  11           HE1      PHE  11   7.841   0.293  -2.849
  102    HE2  PHE  11           HE2      PHE  11  10.416  -2.856  -4.264
  103    HZ   PHE  11           HZ       PHE  11   8.530  -1.278  -4.647
  104    H    ALA  12           H        ALA  12  13.359  -3.340   0.582
  105    HA   ALA  12           HA       ALA  12  14.153  -4.009   3.223
  106    HB1  ALA  12           HB1      ALA  12  15.834  -3.228   0.798
  107    HB2  ALA  12           HB2      ALA  12  16.410  -4.108   2.230
  108    HB3  ALA  12           HB3      ALA  12  15.211  -4.856   1.160
  109    H    ASN  13           H        ASN  13  14.064  -0.875   1.681
  110    HA   ASN  13           HA       ASN  13  15.750   0.461   3.682
  111    HB2  ASN  13           HB2      ASN  13  15.188   2.508   2.423
  112    HB3  ASN  13           HB3      ASN  13  15.822   1.217   1.391
  113   HD21  ASN  13          HD21      ASN  13  14.924   2.251  -0.432
  114    H    GLY  14           H        GLY  14  12.683  -0.770   3.980
  115    HA2  GLY  14           HA2      GLY  14  11.258  -0.534   5.792
  116    HA3  GLY  14           HA3      GLY  14  12.046   0.983   6.258
  117    H    THR  15           H        THR  15  10.952   0.725   2.941
  118    HA   THR  15           HA       THR  15   8.820   2.741   3.446
  119    HB   THR  15           HB       THR  15   9.990   1.689   0.849
  120    HG1  THR  15           HG1      THR  15  11.488   2.807   1.772
  121   HG21  THR  15          HG21      THR  15   7.791   2.527   0.365
  122   HG22  THR  15          HG22      THR  15   8.057   3.979   1.370
  123   HG23  THR  15          HG23      THR  15   8.966   3.744  -0.142
  124    H    VAL  16           H        VAL  16   6.716   2.236   3.499
  125    HA   VAL  16           HA       VAL  16   5.867  -0.552   2.938
  126    HB   VAL  16           HB       VAL  16   4.550   1.766   4.396
  127   HG11  VAL  16          HG11      VAL  16   2.732   0.436   3.420
  128   HG12  VAL  16          HG12      VAL  16   3.475  -1.063   4.026
  129   HG13  VAL  16          HG13      VAL  16   2.834   0.154   5.153
  130   HG21  VAL  16          HG21      VAL  16   5.621  -0.915   5.383
  131   HG22  VAL  16          HG22      VAL  16   6.410   0.662   5.618
  132   HG23  VAL  16          HG23      VAL  16   4.847   0.331   6.382
  133    H    TYR  17           H        TYR  17   4.308  -1.124   1.550
  134    HA   TYR  17           HA       TYR  17   2.749   0.765  -0.060
  135    HB2  TYR  17           HB2      TYR  17   3.581   0.030  -2.188
  136    HB3  TYR  17           HB3      TYR  17   4.923   0.637  -1.276
  137    HD1  TYR  17           HD1      TYR  17   6.510  -1.097  -0.119
  138    HD2  TYR  17           HD2      TYR  17   3.677  -2.083  -3.220
  139    HE1  TYR  17           HE1      TYR  17   7.855  -3.107  -0.725
  140    HE2  TYR  17           HE2      TYR  17   5.018  -4.091  -3.812
  141    HH   TYR  17           HH       TYR  17   6.967  -5.231  -3.445
  142    H    TYR  18           H        TYR  18   1.653  -0.933  -1.855
  143    HA   TYR  18           HA       TYR  18   0.591  -3.249  -0.271
  144    HB2  TYR  18           HB2      TYR  18  -0.956  -1.446  -2.161
  145    HB3  TYR  18           HB3      TYR  18  -1.598  -2.719  -1.113
  146    HD1  TYR  18           HD1      TYR  18  -0.774   0.788  -1.384
  147    HD2  TYR  18           HD2      TYR  18  -1.338  -2.398   1.464
  148    HE1  TYR  18           HE1      TYR  18  -1.098   2.466   0.424
  149    HE2  TYR  18           HE2      TYR  18  -1.724  -0.718   3.263
  150    HH   TYR  18           HH       TYR  18  -1.406   2.790   2.667
  151    H    PHE  19           H        PHE  19   0.154  -5.088  -1.408
  152    HA   PHE  19           HA       PHE  19   1.088  -5.320  -4.242
  153    HB2  PHE  19           HB2      PHE  19   2.982  -5.662  -2.760
  154    HB3  PHE  19           HB3      PHE  19   2.063  -6.855  -1.821
  155    HD1  PHE  19           HD1      PHE  19   3.288  -6.114  -5.259
  156    HD2  PHE  19           HD2      PHE  19   2.164  -9.185  -2.447
  157    HE1  PHE  19           HE1      PHE  19   4.034  -7.826  -6.853
  158    HE2  PHE  19           HE2      PHE  19   2.978 -10.918  -4.029
  159    HZ   PHE  19           HZ       PHE  19   3.918 -10.256  -6.234
  160    H    ASN  20           H        ASN  20   0.034  -6.780  -5.474
  161    HA   ASN  20           HA       ASN  20  -2.183  -8.316  -4.241
  162    HB2  ASN  20           HB2      ASN  20  -2.551  -6.790  -6.201
  163    HB3  ASN  20           HB3      ASN  20  -1.571  -7.890  -7.182
  164   HD21  ASN  20          HD21      ASN  20  -4.672  -7.122  -6.671
  165   HD22  ASN  20          HD22      ASN  20  -5.403  -8.712  -6.892
  166    H    HIS  21           H        HIS  21  -1.765 -10.360  -3.624
  167    HA   HIS  21           HA       HIS  21   0.660 -11.720  -4.459
  168    HB2  HIS  21           HB2      HIS  21   0.226 -13.225  -2.795
  169    HB3  HIS  21           HB3      HIS  21  -0.567 -11.780  -2.170
  170    HD2  HIS  21           HD2      HIS  21  -3.172 -11.976  -1.664
  171    HE1  HIS  21           HE1      HIS  21  -3.737 -16.009  -2.917
  172    HE2  HIS  21           HE2      HIS  21  -4.804 -14.041  -1.708
  173    H    ILE  22           H        ILE  22  -2.560 -11.728  -5.736
  174    HA   ILE  22           HA       ILE  22  -2.386 -14.357  -7.037
  175    HB   ILE  22           HB       ILE  22  -4.471 -12.143  -7.265
  176   HG12  ILE  22          HG12      ILE  22  -4.439 -14.582  -5.424
  177   HG13  ILE  22          HG13      ILE  22  -4.232 -12.897  -4.912
  178   HG21  ILE  22          HG21      ILE  22  -4.550 -13.765  -9.125
  179   HG22  ILE  22          HG22      ILE  22  -4.638 -15.105  -7.957
  180   HG23  ILE  22          HG23      ILE  22  -5.959 -13.921  -8.095
  181   HD11  ILE  22          HD11      ILE  22  -6.535 -12.392  -5.758
  182   HD12  ILE  22          HD12      ILE  22  -6.770 -14.147  -5.978
  183   HD13  ILE  22          HD13      ILE  22  -6.437 -13.490  -4.367
  184    H    THR  23           H        THR  23  -2.274 -10.927  -7.927
  185    HA   THR  23           HA       THR  23  -1.737 -11.602 -10.767
  186    HB   THR  23           HB       THR  23  -2.737  -9.610 -11.418
  187    HG1  THR  23           HG1      THR  23  -3.536  -8.293  -9.495
  188   HG21  THR  23          HG21      THR  23  -4.433 -10.423  -9.014
  189   HG22  THR  23          HG22      THR  23  -4.963  -9.636 -10.513
  190   HG23  THR  23          HG23      THR  23  -4.392 -11.311 -10.553
  191    H    ASN  24           H        ASN  24   0.058 -10.549  -8.170
  192    HA   ASN  24           HA       ASN  24   2.046  -9.640  -7.849
  193    HB2  ASN  24           HB2      ASN  24   2.613 -10.244 -10.769
  194    HB3  ASN  24           HB3      ASN  24   3.815  -9.869  -9.526
  195   HD21  ASN  24          HD21      ASN  24   2.431 -12.423 -11.140
  196   HD22  ASN  24          HD22      ASN  24   2.766 -13.668  -9.932
  197    H    ALA  25           H        ALA  25  -0.225  -7.888  -9.045
  198    HA   ALA  25           HA       ALA  25   1.130  -5.513 -10.003
  199    HB1  ALA  25           HB1      ALA  25  -1.252  -6.014 -10.462
  200    HB2  ALA  25           HB2      ALA  25  -1.614  -5.879  -8.726
  201    HB3  ALA  25           HB3      ALA  25  -1.058  -4.457  -9.633
  202    H    SER  26           H        SER  26   1.388  -3.501  -8.840
  203    HA   SER  26           HA       SER  26   1.444  -3.619  -5.882
  204    HB2  SER  26           HB2      SER  26   3.699  -2.732  -5.764
  205    HB3  SER  26           HB3      SER  26   3.670  -4.314  -6.556
  206    HG   SER  26           HG       SER  26   4.995  -2.844  -7.677
  207    H    GLN  27           H        GLN  27   1.336  -1.615  -4.825
  208    HA   GLN  27           HA       GLN  27   1.118   0.892  -6.368
  209    HB2  GLN  27           HB2      GLN  27  -1.232  -0.432  -4.957
  210    HB3  GLN  27           HB3      GLN  27  -1.098   1.324  -5.069
  211    HG2  GLN  27           HG2      GLN  27  -0.907   1.159  -7.534
  212    HG3  GLN  27           HG3      GLN  27  -1.304  -0.566  -7.423
  213   HE21  GLN  27          HE21      GLN  27  -4.359   1.885  -7.721
  214   HE22  GLN  27          HE22      GLN  27  -2.731   2.157  -8.353
  215    H    PHE  28           H        PHE  28   1.662   2.668  -5.238
  216    HA   PHE  28           HA       PHE  28   2.387   2.431  -2.400
  217    HB2  PHE  28           HB2      PHE  28   2.641   4.683  -4.394
  218    HB3  PHE  28           HB3      PHE  28   3.003   4.860  -2.675
  219    HD1  PHE  28           HD1      PHE  28   4.850   3.523  -1.589
  220    HD2  PHE  28           HD2      PHE  28   4.225   3.587  -5.862
  221    HE1  PHE  28           HE1      PHE  28   7.167   2.707  -1.950
  222    HE2  PHE  28           HE2      PHE  28   6.543   2.767  -6.211
  223    HZ   PHE  28           HZ       PHE  28   8.020   2.339  -4.254
  224    H    GLU  29           H        GLU  29  -0.315   3.632  -4.218
  225    HA   GLU  29           HA       GLU  29  -1.592   4.913  -1.884
  226    HB2  GLU  29           HB2      GLU  29  -1.835   6.101  -3.923
  227    HB3  GLU  29           HB3      GLU  29  -2.214   4.645  -4.827
  228    HG2  GLU  29           HG2      GLU  29  -4.138   6.023  -4.667
  229    HG3  GLU  29           HG3      GLU  29  -4.423   4.503  -3.840
  230    H    ARG  30           H        ARG  30  -3.551   4.192  -0.994
  231    HA   ARG  30           HA       ARG  30  -3.720   1.424  -0.448
  232    HB2  ARG  30           HB2      ARG  30  -5.094   3.857   0.335
  233    HB3  ARG  30           HB3      ARG  30  -6.300   2.634   0.019
  234    HG2  ARG  30           HG2      ARG  30  -3.990   2.444   1.975
  235    HG3  ARG  30           HG3      ARG  30  -5.703   2.666   2.356
  236    HD2  ARG  30           HD2      ARG  30  -4.374   0.171   1.243
  237    HD3  ARG  30           HD3      ARG  30  -5.075   0.381   2.829
  238    HE   ARG  30           HE       ARG  30  -6.523  -0.059   0.273
  239   HH11  ARG  30          HH11      ARG  30  -8.573  -0.574   0.282
  240   HH12  ARG  30          HH12      ARG  30  -9.532  -0.540   1.756
  241   HH21  ARG  30          HH21      ARG  30  -6.949   0.665   3.690
  242   HH22  ARG  30          HH22      ARG  30  -8.622   0.177   3.644
  243    HA   PRO  31           HA       PRO  31  -6.124   0.153  -4.124
  244    HB2  PRO  31           HB2      PRO  31  -6.231  -2.538  -3.640
  245    HB3  PRO  31           HB3      PRO  31  -4.773  -1.720  -4.279
  246    HG2  PRO  31           HG2      PRO  31  -5.384  -2.446  -1.401
  247    HG3  PRO  31           HG3      PRO  31  -3.879  -2.762  -2.324
  248    HD2  PRO  31           HD2      PRO  31  -4.083  -0.646  -0.669
  249    HD3  PRO  31           HD3      PRO  31  -3.224  -0.504  -2.228
  250    H    SER  32           H        SER  32  -8.304  -0.448  -4.441
  251    HA   SER  32           HA       SER  32 -10.032  -1.097  -2.138
  252    HB2  SER  32           HB2      SER  32 -11.508   0.806  -2.501
  253    HB3  SER  32           HB3      SER  32  -9.880   1.349  -2.074
  254    HG   SER  32           HG       SER  32 -10.731   2.537  -3.821
  255    H    GLY  33           H        GLY  33 -12.262  -1.549  -2.755
  256    HA2  GLY  33           HA2      GLY  33 -13.264  -1.892  -5.370
  257    HA3  GLY  33           HA3      GLY  33 -12.456  -3.400  -4.933
  258    H1'  ALL 101           H1       ALL  34  11.993   1.800  -0.762
  259    H2'  ALL 101           H2       ALL  34  13.881   3.707  -2.259
  260    H3'  ALL 101           H3       ALL  34  11.966   4.302  -3.661
  261    H4'  ALL 101           H4       ALL  34  13.306   2.469  -4.528
  262    H5'  ALL 101           H5       ALL  34  11.535   0.548  -2.959
  263   H6'1  ALL 101          H62       ALL  34  12.621  -0.284  -5.156
  264   H6'2  ALL 101          H61       ALL  34  12.996  -1.202  -3.684
  265   HO'2  ALL 101          H2O       ALL  34  12.977   4.481  -0.217
  266   HO'3  ALL 101          H3O       ALL  34  10.386   3.807  -1.992
  267   HO'4  ALL 101          H4O       ALL  34  10.490   2.201  -4.616
  268   HO'6  ALL 101          H6O       ALL  34  14.871   0.216  -3.476
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -11.184  -4.719   6.082
    2    H2   LYS   1           H2       LYS   1 -11.387  -3.671   4.838
    3    H3   LYS   1           H3       LYS   1 -11.228  -5.278   4.542
    4    HA   LYS   1           HA       LYS   1  -9.175  -3.525   5.711
    5    HB2  LYS   1           HB2      LYS   1  -8.898  -5.761   6.570
    6    HB3  LYS   1           HB3      LYS   1  -8.999  -6.462   4.952
    7    HG2  LYS   1           HG2      LYS   1  -6.897  -5.336   4.308
    8    HG3  LYS   1           HG3      LYS   1  -6.798  -4.566   5.901
    9    HD2  LYS   1           HD2      LYS   1  -6.467  -6.735   6.970
   10    HD3  LYS   1           HD3      LYS   1  -6.812  -7.584   5.443
   11    HE2  LYS   1           HE2      LYS   1  -4.866  -6.457   4.383
   12    HE3  LYS   1           HE3      LYS   1  -4.479  -5.666   5.915
   13    HZ1  LYS   1           HZ1      LYS   1  -3.200  -7.718   5.434
   14    HZ2  LYS   1           HZ2      LYS   1  -4.006  -7.812   6.869
   15    HZ3  LYS   1           HZ3      LYS   1  -4.560  -8.610   5.548
   16    H    LEU   2           H        LEU   2  -9.354  -5.669   2.829
   17    HA   LEU   2           HA       LEU   2  -8.643  -3.462   1.002
   18    HB2  LEU   2           HB2      LEU   2  -6.887  -5.846   1.735
   19    HB3  LEU   2           HB3      LEU   2  -6.721  -5.038   0.182
   20    HG   LEU   2           HG       LEU   2  -6.332  -3.593   2.825
   21   HD11  LEU   2          HD11      LEU   2  -4.657  -5.394   2.490
   22   HD12  LEU   2          HD12      LEU   2  -4.248  -4.699   0.909
   23   HD13  LEU   2          HD13      LEU   2  -3.950  -3.773   2.398
   24   HD21  LEU   2          HD21      LEU   2  -6.895  -2.120   0.890
   25   HD22  LEU   2          HD22      LEU   2  -5.223  -1.908   1.419
   26   HD23  LEU   2          HD23      LEU   2  -5.577  -2.866  -0.037
   27    HA   PRO   3           HA       PRO   3 -10.890  -6.024  -1.893
   28    HB2  PRO   3           HB2      PRO   3  -8.947  -5.540  -4.085
   29    HB3  PRO   3           HB3      PRO   3 -10.662  -5.058  -3.965
   30    HG2  PRO   3           HG2      PRO   3  -8.594  -3.259  -3.750
   31    HG3  PRO   3           HG3      PRO   3 -10.139  -3.081  -2.861
   32    HD2  PRO   3           HD2      PRO   3  -7.504  -4.186  -1.863
   33    HD3  PRO   3           HD3      PRO   3  -8.629  -3.048  -1.064
   34    HA   PRO   4           HA       PRO   4  -9.340 -10.108  -2.270
   35    HB2  PRO   4           HB2      PRO   4  -9.852 -10.075  -5.253
   36    HB3  PRO   4           HB3      PRO   4 -10.277 -11.333  -4.047
   37    HG2  PRO   4           HG2      PRO   4 -12.163  -9.587  -4.874
   38    HG3  PRO   4           HG3      PRO   4 -12.013  -9.954  -3.121
   39    HD2  PRO   4           HD2      PRO   4 -10.941  -7.562  -4.643
   40    HD3  PRO   4           HD3      PRO   4 -11.804  -7.613  -3.074
   41    H    GLY   5           H        GLY   5  -7.374 -10.920  -2.195
   42    HA2  GLY   5           HA2      GLY   5  -5.250 -11.588  -2.802
   43    HA3  GLY   5           HA3      GLY   5  -5.391 -10.688  -4.322
   44    H    TRP   6           H        TRP   6  -6.066  -8.186  -2.477
   45    HA   TRP   6           HA       TRP   6  -3.326  -7.224  -2.450
   46    HB2  TRP   6           HB2      TRP   6  -5.938  -5.959  -1.658
   47    HB3  TRP   6           HB3      TRP   6  -4.376  -5.142  -1.510
   48    HD1  TRP   6           HD1      TRP   6  -6.898  -6.311  -4.079
   49    HE1  TRP   6           HE1      TRP   6  -6.398  -5.268  -6.374
   50    HE3  TRP   6           HE3      TRP   6  -2.294  -4.335  -3.058
   51    HZ2  TRP   6           HZ2      TRP   6  -4.143  -4.059  -7.677
   52    HZ3  TRP   6           HZ3      TRP   6  -0.960  -3.276  -4.875
   53    HH2  TRP   6           HH2      TRP   6  -1.859  -3.145  -7.182
   54    H    GLU   7           H        GLU   7  -1.931  -6.888  -0.875
   55    HA   GLU   7           HA       GLU   7  -2.655  -6.908   1.975
   56    HB2  GLU   7           HB2      GLU   7  -2.392  -9.251   1.605
   57    HB3  GLU   7           HB3      GLU   7  -0.990  -9.016   0.581
   58    HG2  GLU   7           HG2      GLU   7  -0.385 -10.055   2.656
   59    HG3  GLU   7           HG3      GLU   7   0.418  -8.512   2.460
   60    H    LYS   8           H        LYS   8  -0.954  -6.091   3.344
   61    HA   LYS   8           HA       LYS   8   0.668  -4.020   2.095
   62    HB2  LYS   8           HB2      LYS   8   0.352  -4.986   4.941
   63    HB3  LYS   8           HB3      LYS   8   1.653  -3.870   4.497
   64    HG2  LYS   8           HG2      LYS   8   0.051  -2.274   3.554
   65    HG3  LYS   8           HG3      LYS   8  -1.285  -3.379   3.896
   66    HD2  LYS   8           HD2      LYS   8  -1.276  -1.684   5.594
   67    HD3  LYS   8           HD3      LYS   8  -0.740  -3.192   6.353
   68    HE2  LYS   8           HE2      LYS   8   1.639  -2.426   6.128
   69    HE3  LYS   8           HE3      LYS   8   1.073  -0.938   5.364
   70    HZ1  LYS   8           HZ1      LYS   8   0.413  -1.780   8.135
   71    HZ2  LYS   8           HZ2      LYS   8   1.489  -0.621   7.736
   72    HZ3  LYS   8           HZ3      LYS   8  -0.098  -0.397   7.428
   73    H    ARG   9           H        ARG   9   2.760  -3.746   1.903
   74    HA   ARG   9           HA       ARG   9   4.692  -5.988   2.218
   75    HB2  ARG   9           HB2      ARG   9   3.437  -5.929  -0.079
   76    HB3  ARG   9           HB3      ARG   9   4.316  -4.441  -0.383
   77    HG2  ARG   9           HG2      ARG   9   5.432  -6.231  -1.491
   78    HG3  ARG   9           HG3      ARG   9   6.474  -5.755  -0.137
   79    HD2  ARG   9           HD2      ARG   9   5.606  -7.687   1.175
   80    HD3  ARG   9           HD3      ARG   9   4.556  -8.140  -0.180
   81    HE   ARG   9           HE       ARG   9   7.445  -8.566   0.094
   82   HH11  ARG   9          HH11      ARG   9   8.528  -9.770  -1.409
   83   HH12  ARG   9          HH12      ARG   9   7.780 -10.131  -2.941
   84   HH21  ARG   9          HH21      ARG   9   4.865  -8.460  -2.291
   85   HH22  ARG   9          HH22      ARG   9   5.770  -9.417  -3.427
   86    H    MET  10           H        MET  10   6.989  -5.178   1.869
   87    HA   MET  10           HA       MET  10   7.350  -2.277   2.165
   88    HB2  MET  10           HB2      MET  10   6.719  -3.145   4.457
   89    HB3  MET  10           HB3      MET  10   8.185  -4.145   4.416
   90    HG2  MET  10           HG2      MET  10   9.521  -2.004   4.137
   91    HG3  MET  10           HG3      MET  10   8.012  -1.112   4.295
   92    HE1  MET  10           HE1      MET  10  10.302  -3.313   7.646
   93    HE2  MET  10           HE2      MET  10   9.630  -4.216   6.273
   94    HE3  MET  10           HE3      MET  10  10.893  -2.993   6.001
   95    H    PHE  11           H        PHE  11   9.239  -1.561   1.530
   96    HA   PHE  11           HA       PHE  11  11.255  -3.286   0.368
   97    HB2  PHE  11           HB2      PHE  11  10.985  -0.299   0.690
   98    HB3  PHE  11           HB3      PHE  11  12.401  -1.056  -0.047
   99    HD1  PHE  11           HD1      PHE  11   9.145   0.277  -0.729
  100    HD2  PHE  11           HD2      PHE  11  11.979  -2.726  -2.016
  101    HE1  PHE  11           HE1      PHE  11   8.049   0.177  -2.942
  102    HE2  PHE  11           HE2      PHE  11  10.870  -2.808  -4.238
  103    HZ   PHE  11           HZ       PHE  11   8.908  -1.350  -4.706
  104    H    ALA  12           H        ALA  12  13.553  -3.230   0.795
  105    HA   ALA  12           HA       ALA  12  14.209  -3.800   3.495
  106    HB1  ALA  12           HB1      ALA  12  15.369  -4.721   1.521
  107    HB2  ALA  12           HB2      ALA  12  16.016  -3.109   1.134
  108    HB3  ALA  12           HB3      ALA  12  16.514  -3.938   2.624
  109    H    ASN  13           H        ASN  13  14.178  -0.719   1.865
  110    HA   ASN  13           HA       ASN  13  15.809   0.696   3.851
  111    HB2  ASN  13           HB2      ASN  13  15.221   2.692   2.524
  112    HB3  ASN  13           HB3      ASN  13  15.865   1.382   1.524
  113   HD21  ASN  13          HD21      ASN  13  14.899   2.565  -0.257
  114    H    GLY  14           H        GLY  14  12.702  -0.533   4.081
  115    HA2  GLY  14           HA2      GLY  14  11.218  -0.243   5.851
  116    HA3  GLY  14           HA3      GLY  14  11.982   1.295   6.290
  117    H    THR  15           H        THR  15  10.990   0.827   2.944
  118    HA   THR  15           HA       THR  15   8.816   2.842   3.271
  119    HB   THR  15           HB       THR  15   9.985   1.676   0.732
  120    HG1  THR  15           HG1      THR  15  11.490   2.804   1.771
  121   HG21  THR  15          HG21      THR  15   8.973   3.784  -0.265
  122   HG22  THR  15          HG22      THR  15   7.842   2.508   0.193
  123   HG23  THR  15          HG23      THR  15   8.037   3.947   1.233
  124    H    VAL  16           H        VAL  16   6.731   2.266   3.383
  125    HA   VAL  16           HA       VAL  16   5.943  -0.553   2.881
  126    HB   VAL  16           HB       VAL  16   4.604   1.783   4.291
  127   HG11  VAL  16          HG11      VAL  16   2.780   0.465   3.317
  128   HG12  VAL  16          HG12      VAL  16   3.506  -1.039   3.935
  129   HG13  VAL  16          HG13      VAL  16   2.872   0.193   5.051
  130   HG21  VAL  16          HG21      VAL  16   6.442   0.668   5.540
  131   HG22  VAL  16          HG22      VAL  16   4.867   0.370   6.292
  132   HG23  VAL  16          HG23      VAL  16   5.628  -0.900   5.318
  133    H    TYR  17           H        TYR  17   4.397  -1.183   1.489
  134    HA   TYR  17           HA       TYR  17   2.812   0.670  -0.137
  135    HB2  TYR  17           HB2      TYR  17   3.648  -0.080  -2.263
  136    HB3  TYR  17           HB3      TYR  17   4.973   0.567  -1.346
  137    HD1  TYR  17           HD1      TYR  17   6.643  -1.048  -0.233
  138    HD2  TYR  17           HD2      TYR  17   3.750  -2.271  -3.195
  139    HE1  TYR  17           HE1      TYR  17   8.066  -2.998  -0.826
  140    HE2  TYR  17           HE2      TYR  17   5.169  -4.235  -3.766
  141    HH   TYR  17           HH       TYR  17   8.386  -4.714  -2.292
  142    H    TYR  18           H        TYR  18   1.696  -0.956  -1.901
  143    HA   TYR  18           HA       TYR  18   0.578  -3.256  -0.360
  144    HB2  TYR  18           HB2      TYR  18  -0.859  -1.324  -2.211
  145    HB3  TYR  18           HB3      TYR  18  -1.570  -2.741  -1.423
  146    HD1  TYR  18           HD1      TYR  18  -0.165   0.646  -0.862
  147    HD2  TYR  18           HD2      TYR  18  -2.148  -2.733   0.951
  148    HE1  TYR  18           HE1      TYR  18  -0.473   1.957   1.217
  149    HE2  TYR  18           HE2      TYR  18  -2.525  -1.387   3.018
  150    HH   TYR  18           HH       TYR  18  -1.224   1.916   3.387
  151    H    PHE  19           H        PHE  19   0.215  -5.146  -1.389
  152    HA   PHE  19           HA       PHE  19   1.055  -5.437  -4.242
  153    HB2  PHE  19           HB2      PHE  19   3.013  -5.784  -2.850
  154    HB3  PHE  19           HB3      PHE  19   2.127  -6.944  -1.844
  155    HD1  PHE  19           HD1      PHE  19   3.242  -6.281  -5.328
  156    HD2  PHE  19           HD2      PHE  19   2.057  -9.292  -2.475
  157    HE1  PHE  19           HE1      PHE  19   3.834  -8.028  -6.949
  158    HE2  PHE  19           HE2      PHE  19   2.729 -11.062  -4.080
  159    HZ   PHE  19           HZ       PHE  19   3.614 -10.449  -6.323
  160    H    ASN  20           H        ASN  20  -0.055  -6.894  -5.420
  161    HA   ASN  20           HA       ASN  20  -2.230  -8.395  -4.061
  162    HB2  ASN  20           HB2      ASN  20  -2.699  -6.822  -5.970
  163    HB3  ASN  20           HB3      ASN  20  -1.838  -7.949  -7.033
  164   HD21  ASN  20          HD21      ASN  20  -4.857  -7.094  -6.184
  165   HD22  ASN  20          HD22      ASN  20  -5.667  -8.651  -6.269
  166    H    HIS  21           H        HIS  21  -1.794 -10.448  -3.493
  167    HA   HIS  21           HA       HIS  21   0.517 -11.850  -4.535
  168    HB2  HIS  21           HB2      HIS  21   0.182 -13.359  -2.861
  169    HB3  HIS  21           HB3      HIS  21  -0.570 -11.926  -2.166
  170    HD2  HIS  21           HD2      HIS  21  -3.131 -12.143  -1.487
  171    HE1  HIS  21           HE1      HIS  21  -3.783 -16.143  -2.804
  172    HE2  HIS  21           HE2      HIS  21  -4.765 -14.207  -1.474
  173    H    ILE  22           H        ILE  22  -2.793 -11.776  -5.575
  174    HA   ILE  22           HA       ILE  22  -2.742 -14.376  -6.949
  175    HB   ILE  22           HB       ILE  22  -4.801 -12.125  -6.946
  176   HG12  ILE  22          HG12      ILE  22  -4.695 -14.682  -5.267
  177   HG13  ILE  22          HG13      ILE  22  -4.409 -13.040  -4.665
  178   HG21  ILE  22          HG21      ILE  22  -5.048 -13.621  -8.889
  179   HG22  ILE  22          HG22      ILE  22  -5.063 -15.035  -7.810
  180   HG23  ILE  22          HG23      ILE  22  -6.378 -13.836  -7.768
  181   HD11  ILE  22          HD11      ILE  22  -6.762 -12.439  -5.332
  182   HD12  ILE  22          HD12      ILE  22  -7.045 -14.177  -5.608
  183   HD13  ILE  22          HD13      ILE  22  -6.582 -13.597  -3.998
  184    H    THR  23           H        THR  23  -2.644 -10.927  -7.758
  185    HA   THR  23           HA       THR  23  -2.308 -11.536 -10.641
  186    HB   THR  23           HB       THR  23  -3.289  -9.504 -11.173
  187    HG1  THR  23           HG1      THR  23  -3.904  -8.234  -9.130
  188   HG21  THR  23          HG21      THR  23  -5.441  -9.470 -10.104
  189   HG22  THR  23          HG22      THR  23  -4.936 -11.163 -10.215
  190   HG23  THR  23          HG23      THR  23  -4.831 -10.303  -8.662
  191    H    ASN  24           H        ASN  24  -0.308 -10.618  -8.147
  192    HA   ASN  24           HA       ASN  24   1.732  -9.796  -7.934
  193    HB2  ASN  24           HB2      ASN  24   2.073 -10.384 -10.892
  194    HB3  ASN  24           HB3      ASN  24   3.377 -10.043  -9.746
  195   HD21  ASN  24          HD21      ASN  24   1.794 -12.560 -11.238
  196   HD22  ASN  24          HD22      ASN  24   2.190 -13.812 -10.056
  197    H    ALA  25           H        ALA  25  -0.531  -7.926  -8.951
  198    HA   ALA  25           HA       ALA  25   0.853  -5.603  -9.979
  199    HB1  ALA  25           HB1      ALA  25  -1.570  -5.998 -10.283
  200    HB2  ALA  25           HB2      ALA  25  -1.814  -5.871  -8.526
  201    HB3  ALA  25           HB3      ALA  25  -1.261  -4.460  -9.453
  202    H    SER  26           H        SER  26   1.343  -3.645  -8.859
  203    HA   SER  26           HA       SER  26   1.454  -3.709  -5.903
  204    HB2  SER  26           HB2      SER  26   3.732  -2.853  -5.851
  205    HB3  SER  26           HB3      SER  26   3.653  -4.462  -6.575
  206    HG   SER  26           HG       SER  26   4.988  -3.068  -7.781
  207    H    GLN  27           H        GLN  27   1.411  -1.683  -4.885
  208    HA   GLN  27           HA       GLN  27   1.169   0.805  -6.440
  209    HB2  GLN  27           HB2      GLN  27  -1.019  -0.196  -6.800
  210    HB3  GLN  27           HB3      GLN  27  -1.182  -0.557  -5.082
  211    HG2  GLN  27           HG2      GLN  27  -2.586   1.312  -5.665
  212    HG3  GLN  27           HG3      GLN  27  -1.319   1.815  -4.555
  213   HE21  GLN  27          HE21      GLN  27  -2.092   1.768  -8.096
  214   HE22  GLN  27          HE22      GLN  27  -1.152   3.224  -8.437
  215    H    PHE  28           H        PHE  28   1.275   2.668  -5.180
  216    HA   PHE  28           HA       PHE  28   2.205   2.308  -2.384
  217    HB2  PHE  28           HB2      PHE  28   2.499   4.593  -4.333
  218    HB3  PHE  28           HB3      PHE  28   2.902   4.714  -2.617
  219    HD1  PHE  28           HD1      PHE  28   4.793   3.427  -1.622
  220    HD2  PHE  28           HD2      PHE  28   3.938   3.340  -5.854
  221    HE1  PHE  28           HE1      PHE  28   7.067   2.535  -2.072
  222    HE2  PHE  28           HE2      PHE  28   6.212   2.443  -6.292
  223    HZ   PHE  28           HZ       PHE  28   7.782   2.053  -4.405
  224    H    GLU  29           H        GLU  29  -0.292   4.185  -4.096
  225    HA   GLU  29           HA       GLU  29  -1.412   5.279  -1.613
  226    HB2  GLU  29           HB2      GLU  29  -1.539   6.513  -3.714
  227    HB3  GLU  29           HB3      GLU  29  -2.461   5.201  -4.469
  228    HG2  GLU  29           HG2      GLU  29  -4.311   5.552  -2.870
  229    HG3  GLU  29           HG3      GLU  29  -3.373   6.796  -2.037
  230    H    ARG  30           H        ARG  30  -2.757   4.180  -0.231
  231    HA   ARG  30           HA       ARG  30  -3.119   1.465  -0.601
  232    HB2  ARG  30           HB2      ARG  30  -4.374   1.339   1.364
  233    HB3  ARG  30           HB3      ARG  30  -3.072   2.485   1.575
  234    HG2  ARG  30           HG2      ARG  30  -4.397   4.272   1.931
  235    HG3  ARG  30           HG3      ARG  30  -5.704   3.722   0.867
  236    HD2  ARG  30           HD2      ARG  30  -5.074   2.551   3.597
  237    HD3  ARG  30           HD3      ARG  30  -6.380   3.698   3.243
  238    HE   ARG  30           HE       ARG  30  -6.845   1.646   1.450
  239   HH11  ARG  30          HH11      ARG  30  -7.974  -0.100   1.652
  240   HH12  ARG  30          HH12      ARG  30  -8.205  -0.915   3.188
  241   HH21  ARG  30          HH21      ARG  30  -6.502   1.538   4.953
  242   HH22  ARG  30          HH22      ARG  30  -7.440   0.066   5.047
  243    HA   PRO  31           HA       PRO  31  -6.806   0.950  -3.123
  244    HB2  PRO  31           HB2      PRO  31  -6.899  -1.726  -1.763
  245    HB3  PRO  31           HB3      PRO  31  -7.016  -1.349  -3.510
  246    HG2  PRO  31           HG2      PRO  31  -4.725  -2.362  -2.470
  247    HG3  PRO  31           HG3      PRO  31  -4.651  -1.018  -3.660
  248    HD2  PRO  31           HD2      PRO  31  -4.468  -0.851  -0.632
  249    HD3  PRO  31           HD3      PRO  31  -3.455  -0.073  -1.877
  250    H    SER  32           H        SER  32  -9.139   0.771  -2.803
  251    HA   SER  32           HA       SER  32 -10.084   1.699  -0.218
  252    HB2  SER  32           HB2      SER  32 -11.090   2.413  -2.350
  253    HB3  SER  32           HB3      SER  32 -11.643   0.753  -2.649
  254    HG   SER  32           HG       SER  32 -13.254   2.096  -1.692
  255    H    GLY  33           H        GLY  33 -11.148   0.612   1.415
  256    HA2  GLY  33           HA2      GLY  33 -12.447  -1.878   1.320
  257    HA3  GLY  33           HA3      GLY  33 -10.771  -2.221   1.745
  258    H1'  ALL 101           H1       ALL  34  12.014   1.881  -0.607
  259    H2'  ALL 101           H2       ALL  34  13.702   4.045  -1.977
  260    H3'  ALL 101           H3       ALL  34  11.741   4.572  -3.327
  261    H4'  ALL 101           H4       ALL  34  13.241   2.923  -4.305
  262    H5'  ALL 101           H5       ALL  34  11.624   0.768  -2.875
  263   H6'1  ALL 101          H62       ALL  34  12.740   0.159  -5.131
  264   H6'2  ALL 101          H61       ALL  34  13.187  -0.824  -3.723
  265   HO'2  ALL 101          H2O       ALL  34  11.646   4.163  -0.011
  266   HO'3  ALL 101          H3O       ALL  34  10.065   3.954  -1.959
  267   HO'4  ALL 101          H4O       ALL  34  10.457   2.423  -4.445
  268   HO'6  ALL 101          H6O       ALL  34  14.965   0.706  -3.434
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -11.865  -4.421   4.360
    2    H2   LYS   1           H2       LYS   1 -11.532  -5.272   5.714
    3    H3   LYS   1           H3       LYS   1 -11.157  -5.896   4.250
    4    HA   LYS   1           HA       LYS   1  -9.970  -3.494   5.479
    5    HB2  LYS   1           HB2      LYS   1  -9.256  -5.655   6.531
    6    HB3  LYS   1           HB3      LYS   1  -8.604  -6.168   4.973
    7    HG2  LYS   1           HG2      LYS   1  -7.127  -4.058   5.032
    8    HG3  LYS   1           HG3      LYS   1  -7.752  -3.767   6.655
    9    HD2  LYS   1           HD2      LYS   1  -5.650  -4.820   6.934
   10    HD3  LYS   1           HD3      LYS   1  -6.848  -6.069   7.306
   11    HE2  LYS   1           HE2      LYS   1  -6.568  -7.000   5.002
   12    HE3  LYS   1           HE3      LYS   1  -5.425  -5.702   4.625
   13    HZ1  LYS   1           HZ1      LYS   1  -3.992  -6.584   6.416
   14    HZ2  LYS   1           HZ2      LYS   1  -5.015  -7.844   6.631
   15    HZ3  LYS   1           HZ3      LYS   1  -4.213  -7.660   5.210
   16    H    LEU   2           H        LEU   2  -9.196  -5.825   2.842
   17    HA   LEU   2           HA       LEU   2  -8.736  -3.580   0.954
   18    HB2  LEU   2           HB2      LEU   2  -6.870  -5.860   1.727
   19    HB3  LEU   2           HB3      LEU   2  -6.718  -5.054   0.169
   20    HG   LEU   2           HG       LEU   2  -6.537  -3.539   2.798
   21   HD11  LEU   2          HD11      LEU   2  -4.108  -3.563   2.472
   22   HD12  LEU   2          HD12      LEU   2  -4.716  -5.222   2.626
   23   HD13  LEU   2          HD13      LEU   2  -4.289  -4.584   1.027
   24   HD21  LEU   2          HD21      LEU   2  -5.456  -1.830   1.393
   25   HD22  LEU   2          HD22      LEU   2  -5.653  -2.871  -0.038
   26   HD23  LEU   2          HD23      LEU   2  -7.071  -2.179   0.763
   27    HA   PRO   3           HA       PRO   3 -10.883  -6.159  -1.958
   28    HB2  PRO   3           HB2      PRO   3  -8.941  -5.587  -4.131
   29    HB3  PRO   3           HB3      PRO   3 -10.670  -5.156  -4.018
   30    HG2  PRO   3           HG2      PRO   3  -8.657  -3.307  -3.761
   31    HG3  PRO   3           HG3      PRO   3 -10.211  -3.185  -2.864
   32    HD2  PRO   3           HD2      PRO   3  -7.550  -4.237  -1.884
   33    HD3  PRO   3           HD3      PRO   3  -8.705  -3.133  -1.077
   34    HA   PRO   4           HA       PRO   4  -9.258 -10.198  -2.376
   35    HB2  PRO   4           HB2      PRO   4  -9.723 -10.127  -5.365
   36    HB3  PRO   4           HB3      PRO   4 -10.131 -11.418  -4.188
   37    HG2  PRO   4           HG2      PRO   4 -12.051  -9.703  -5.004
   38    HG3  PRO   4           HG3      PRO   4 -11.910 -10.098  -3.257
   39    HD2  PRO   4           HD2      PRO   4 -10.887  -7.652  -4.724
   40    HD3  PRO   4           HD3      PRO   4 -11.757  -7.756  -3.161
   41    H    GLY   5           H        GLY   5  -7.268 -10.906  -2.219
   42    HA2  GLY   5           HA2      GLY   5  -5.123 -11.541  -2.776
   43    HA3  GLY   5           HA3      GLY   5  -5.251 -10.670  -4.313
   44    H    TRP   6           H        TRP   6  -6.003  -8.123  -2.604
   45    HA   TRP   6           HA       TRP   6  -3.278  -7.126  -2.488
   46    HB2  TRP   6           HB2      TRP   6  -5.921  -5.867  -1.782
   47    HB3  TRP   6           HB3      TRP   6  -4.366  -5.040  -1.638
   48    HD1  TRP   6           HD1      TRP   6  -6.854  -6.303  -4.194
   49    HE1  TRP   6           HE1      TRP   6  -6.381  -5.285  -6.503
   50    HE3  TRP   6           HE3      TRP   6  -2.351  -4.054  -3.189
   51    HZ2  TRP   6           HZ2      TRP   6  -4.198  -3.990  -7.815
   52    HZ3  TRP   6           HZ3      TRP   6  -1.138  -2.832  -5.002
   53    HH2  TRP   6           HH2      TRP   6  -2.014  -2.854  -7.320
   54    H    GLU   7           H        GLU   7  -1.924  -6.903  -0.876
   55    HA   GLU   7           HA       GLU   7  -2.812  -6.716   1.943
   56    HB2  GLU   7           HB2      GLU   7  -0.769  -8.704   0.864
   57    HB3  GLU   7           HB3      GLU   7  -0.866  -8.258   2.558
   58    HG2  GLU   7           HG2      GLU   7  -3.070  -9.639   0.980
   59    HG3  GLU   7           HG3      GLU   7  -1.943 -10.404   2.084
   60    H    LYS   8           H        LYS   8  -1.096  -5.891   3.372
   61    HA   LYS   8           HA       LYS   8   0.534  -3.803   2.165
   62    HB2  LYS   8           HB2      LYS   8   0.237  -4.846   4.989
   63    HB3  LYS   8           HB3      LYS   8   1.554  -3.745   4.553
   64    HG2  LYS   8           HG2      LYS   8  -0.025  -2.086   3.692
   65    HG3  LYS   8           HG3      LYS   8  -1.381  -3.172   4.011
   66    HD2  LYS   8           HD2      LYS   8  -1.328  -1.547   5.770
   67    HD3  LYS   8           HD3      LYS   8  -0.793  -3.084   6.470
   68    HE2  LYS   8           HE2      LYS   8   1.590  -2.328   6.220
   69    HE3  LYS   8           HE3      LYS   8   1.018  -0.806   5.528
   70    HZ1  LYS   8           HZ1      LYS   8   1.487  -0.588   7.900
   71    HZ2  LYS   8           HZ2      LYS   8  -0.107  -0.345   7.638
   72    HZ3  LYS   8           HZ3      LYS   8   0.413  -1.757   8.277
   73    H    ARG   9           H        ARG   9   2.635  -3.587   1.962
   74    HA   ARG   9           HA       ARG   9   4.486  -5.914   2.123
   75    HB2  ARG   9           HB2      ARG   9   3.112  -5.521  -0.166
   76    HB3  ARG   9           HB3      ARG   9   4.284  -4.244  -0.402
   77    HG2  ARG   9           HG2      ARG   9   5.024  -6.197  -1.564
   78    HG3  ARG   9           HG3      ARG   9   6.119  -5.999  -0.180
   79    HD2  ARG   9           HD2      ARG   9   4.983  -7.788   1.028
   80    HD3  ARG   9           HD3      ARG   9   3.686  -7.831  -0.191
   81    HE   ARG   9           HE       ARG   9   6.364  -8.334  -1.266
   82   HH11  ARG   9          HH11      ARG   9   6.747 -10.278  -2.255
   83   HH12  ARG   9          HH12      ARG   9   5.691 -11.630  -1.959
   84   HH21  ARG   9          HH21      ARG   9   3.600  -9.946   0.171
   85   HH22  ARG   9          HH22      ARG   9   3.956 -11.452  -0.633
   86    H    MET  10           H        MET  10   6.790  -5.170   1.670
   87    HA   MET  10           HA       MET  10   7.310  -2.336   2.309
   88    HB2  MET  10           HB2      MET  10   7.985  -4.604   4.225
   89    HB3  MET  10           HB3      MET  10   8.643  -2.959   4.326
   90    HG2  MET  10           HG2      MET  10   6.297  -2.100   4.521
   91    HG3  MET  10           HG3      MET  10   5.743  -3.767   4.685
   92    HE1  MET  10           HE1      MET  10   7.219  -4.893   8.112
   93    HE2  MET  10           HE2      MET  10   6.195  -5.320   6.724
   94    HE3  MET  10           HE3      MET  10   7.958  -5.173   6.523
   95    H    PHE  11           H        PHE  11   9.187  -1.610   1.738
   96    HA   PHE  11           HA       PHE  11  11.143  -3.274   0.342
   97    HB2  PHE  11           HB2      PHE  11  10.853  -0.302   0.757
   98    HB3  PHE  11           HB3      PHE  11  12.255  -1.024  -0.038
   99    HD1  PHE  11           HD1      PHE  11   8.945   0.254  -0.582
  100    HD2  PHE  11           HD2      PHE  11  11.823  -2.617  -2.051
  101    HE1  PHE  11           HE1      PHE  11   7.780   0.186  -2.765
  102    HE2  PHE  11           HE2      PHE  11  10.646  -2.667  -4.239
  103    HZ   PHE  11           HZ       PHE  11   8.628  -1.257  -4.600
  104    H    ALA  12           H        ALA  12  13.430  -3.260   0.708
  105    HA   ALA  12           HA       ALA  12  14.189  -3.825   3.387
  106    HB1  ALA  12           HB1      ALA  12  15.257  -4.774   1.375
  107    HB2  ALA  12           HB2      ALA  12  15.899  -3.169   0.946
  108    HB3  ALA  12           HB3      ALA  12  16.455  -3.990   2.422
  109    H    ASN  13           H        ASN  13  14.110  -0.761   1.725
  110    HA   ASN  13           HA       ASN  13  15.849   0.655   3.612
  111    HB2  ASN  13           HB2      ASN  13  15.236   2.642   2.296
  112    HB3  ASN  13           HB3      ASN  13  15.793   1.308   1.276
  113   HD21  ASN  13          HD21      ASN  13  14.774   2.437  -0.484
  114    H    GLY  14           H        GLY  14  12.751  -0.532   4.031
  115    HA2  GLY  14           HA2      GLY  14  11.400  -0.211   5.902
  116    HA3  GLY  14           HA3      GLY  14  12.197   1.329   6.261
  117    H    THR  15           H        THR  15  10.980   0.845   3.002
  118    HA   THR  15           HA       THR  15   8.820   2.844   3.462
  119    HB   THR  15           HB       THR  15   9.851   1.673   0.864
  120    HG1  THR  15           HG1      THR  15  11.407   2.824   1.755
  121   HG21  THR  15          HG21      THR  15   7.689   2.471   0.403
  122   HG22  THR  15          HG22      THR  15   7.887   3.905   1.453
  123   HG23  THR  15          HG23      THR  15   8.769   3.783  -0.080
  124    H    VAL  16           H        VAL  16   6.682   2.404   3.356
  125    HA   VAL  16           HA       VAL  16   5.795  -0.413   3.021
  126    HB   VAL  16           HB       VAL  16   4.284   2.015   4.045
  127   HG11  VAL  16          HG11      VAL  16   2.673   0.368   4.949
  128   HG12  VAL  16          HG12      VAL  16   2.703   0.344   3.192
  129   HG13  VAL  16          HG13      VAL  16   3.533  -0.940   4.102
  130   HG21  VAL  16          HG21      VAL  16   5.505  -0.297   5.606
  131   HG22  VAL  16          HG22      VAL  16   6.090   1.383   5.611
  132   HG23  VAL  16          HG23      VAL  16   4.497   0.996   6.274
  133    H    TYR  17           H        TYR  17   4.355  -1.086   1.521
  134    HA   TYR  17           HA       TYR  17   2.855   0.754  -0.190
  135    HB2  TYR  17           HB2      TYR  17   3.703  -0.024  -2.283
  136    HB3  TYR  17           HB3      TYR  17   5.051   0.562  -1.367
  137    HD1  TYR  17           HD1      TYR  17   6.565  -1.202  -0.151
  138    HD2  TYR  17           HD2      TYR  17   3.783  -2.138  -3.318
  139    HE1  TYR  17           HE1      TYR  17   7.893  -3.231  -0.740
  140    HE2  TYR  17           HE2      TYR  17   5.103  -4.162  -3.886
  141    HH   TYR  17           HH       TYR  17   7.027  -5.332  -3.485
  142    H    TYR  18           H        TYR  18   1.796  -0.982  -1.955
  143    HA   TYR  18           HA       TYR  18   0.626  -3.212  -0.350
  144    HB2  TYR  18           HB2      TYR  18  -0.801  -1.317  -2.253
  145    HB3  TYR  18           HB3      TYR  18  -1.523  -2.681  -1.386
  146    HD1  TYR  18           HD1      TYR  18  -2.031  -2.552   1.009
  147    HD2  TYR  18           HD2      TYR  18  -0.134   0.732  -1.052
  148    HE1  TYR  18           HE1      TYR  18  -2.386  -1.085   2.993
  149    HE2  TYR  18           HE2      TYR  18  -0.441   2.176   0.942
  150    HH   TYR  18           HH       TYR  18  -1.110   2.250   3.135
  151    H    PHE  19           H        PHE  19   0.201  -5.101  -1.390
  152    HA   PHE  19           HA       PHE  19   1.047  -5.418  -4.235
  153    HB2  PHE  19           HB2      PHE  19   3.021  -5.752  -2.885
  154    HB3  PHE  19           HB3      PHE  19   2.152  -6.899  -1.845
  155    HD1  PHE  19           HD1      PHE  19   3.161  -6.300  -5.379
  156    HD2  PHE  19           HD2      PHE  19   2.143  -9.252  -2.403
  157    HE1  PHE  19           HE1      PHE  19   3.730  -8.081  -6.971
  158    HE2  PHE  19           HE2      PHE  19   2.786 -11.053  -3.984
  159    HZ   PHE  19           HZ       PHE  19   3.574 -10.487  -6.275
  160    H    ASN  20           H        ASN  20  -0.064  -6.855  -5.400
  161    HA   ASN  20           HA       ASN  20  -2.236  -8.363  -4.056
  162    HB2  ASN  20           HB2      ASN  20  -2.686  -6.790  -5.968
  163    HB3  ASN  20           HB3      ASN  20  -1.809  -7.912  -7.024
  164   HD21  ASN  20          HD21      ASN  20  -4.824  -7.053  -6.274
  165   HD22  ASN  20          HD22      ASN  20  -5.644  -8.604  -6.349
  166    H    HIS  21           H        HIS  21  -1.748 -10.400  -3.448
  167    HA   HIS  21           HA       HIS  21   0.552 -11.798  -4.511
  168    HB2  HIS  21           HB2      HIS  21   0.241 -13.304  -2.827
  169    HB3  HIS  21           HB3      HIS  21  -0.503 -11.866  -2.131
  170    HD2  HIS  21           HD2      HIS  21  -3.055 -12.078  -1.418
  171    HE1  HIS  21           HE1      HIS  21  -3.720 -16.090  -2.693
  172    HE2  HIS  21           HE2      HIS  21  -4.686 -14.145  -1.366
  173    H    ILE  22           H        ILE  22  -2.760 -11.746  -5.534
  174    HA   ILE  22           HA       ILE  22  -2.705 -14.363  -6.879
  175    HB   ILE  22           HB       ILE  22  -4.782 -12.130  -6.856
  176   HG12  ILE  22          HG12      ILE  22  -4.642 -14.697  -5.196
  177   HG13  ILE  22          HG13      ILE  22  -4.346 -13.060  -4.587
  178   HG21  ILE  22          HG21      ILE  22  -5.031 -15.038  -7.733
  179   HG22  ILE  22          HG22      ILE  22  -6.357 -13.853  -7.663
  180   HG23  ILE  22          HG23      ILE  22  -5.048 -13.617  -8.803
  181   HD11  ILE  22          HD11      ILE  22  -6.507 -13.609  -3.888
  182   HD12  ILE  22          HD12      ILE  22  -6.710 -12.456  -5.223
  183   HD13  ILE  22          HD13      ILE  22  -6.996 -14.195  -5.490
  184    H    THR  23           H        THR  23  -2.645 -10.921  -7.729
  185    HA   THR  23           HA       THR  23  -2.326 -11.562 -10.608
  186    HB   THR  23           HB       THR  23  -3.317  -9.533 -11.154
  187    HG1  THR  23           HG1      THR  23  -3.941  -8.268  -9.102
  188   HG21  THR  23          HG21      THR  23  -4.850 -10.355  -8.644
  189   HG22  THR  23          HG22      THR  23  -5.470  -9.515 -10.079
  190   HG23  THR  23          HG23      THR  23  -4.951 -11.203 -10.203
  191    H    ASN  24           H        ASN  24  -0.316 -10.609  -8.137
  192    HA   ASN  24           HA       ASN  24   1.717  -9.767  -7.944
  193    HB2  ASN  24           HB2      ASN  24   2.045 -10.349 -10.904
  194    HB3  ASN  24           HB3      ASN  24   3.350 -10.002  -9.762
  195   HD21  ASN  24          HD21      ASN  24   1.803 -12.527 -11.265
  196   HD22  ASN  24          HD22      ASN  24   2.206 -13.779 -10.087
  197    H    ALA  25           H        ALA  25  -0.580  -7.927  -8.944
  198    HA   ALA  25           HA       ALA  25   0.768  -5.583  -9.973
  199    HB1  ALA  25           HB1      ALA  25  -1.659  -6.007 -10.242
  200    HB2  ALA  25           HB2      ALA  25  -1.877  -5.874  -8.483
  201    HB3  ALA  25           HB3      ALA  25  -1.349  -4.464  -9.422
  202    H    SER  26           H        SER  26   1.225  -3.620  -8.841
  203    HA   SER  26           HA       SER  26   1.460  -3.719  -5.890
  204    HB2  SER  26           HB2      SER  26   3.755  -2.823  -5.971
  205    HB3  SER  26           HB3      SER  26   3.626  -4.466  -6.604
  206    HG   SER  26           HG       SER  26   3.746  -2.082  -8.165
  207    H    GLN  27           H        GLN  27   1.405  -1.695  -4.844
  208    HA   GLN  27           HA       GLN  27   1.125   0.770  -6.450
  209    HB2  GLN  27           HB2      GLN  27  -1.107  -0.516  -6.430
  210    HB3  GLN  27           HB3      GLN  27  -1.168  -0.188  -4.689
  211    HG2  GLN  27           HG2      GLN  27  -1.103   2.234  -5.158
  212    HG3  GLN  27           HG3      GLN  27  -0.951   1.901  -6.893
  213   HE21  GLN  27          HE21      GLN  27  -3.128   1.641  -4.082
  214   HE22  GLN  27          HE22      GLN  27  -4.608   1.530  -5.050
  215    H    PHE  28           H        PHE  28   1.453   2.644  -5.265
  216    HA   PHE  28           HA       PHE  28   2.465   2.319  -2.516
  217    HB2  PHE  28           HB2      PHE  28   2.668   4.567  -4.501
  218    HB3  PHE  28           HB3      PHE  28   3.077   4.775  -2.794
  219    HD1  PHE  28           HD1      PHE  28   4.166   3.313  -5.972
  220    HD2  PHE  28           HD2      PHE  28   4.936   3.509  -1.730
  221    HE1  PHE  28           HE1      PHE  28   6.453   2.414  -6.343
  222    HE2  PHE  28           HE2      PHE  28   7.224   2.621  -2.108
  223    HZ   PHE  28           HZ       PHE  28   7.986   2.074  -4.418
  224    H    GLU  29           H        GLU  29  -0.314   3.926  -3.949
  225    HA   GLU  29           HA       GLU  29  -1.236   4.884  -1.298
  226    HB2  GLU  29           HB2      GLU  29  -2.558   4.855  -4.043
  227    HB3  GLU  29           HB3      GLU  29  -3.311   5.495  -2.588
  228    HG2  GLU  29           HG2      GLU  29  -0.753   6.545  -3.871
  229    HG3  GLU  29           HG3      GLU  29  -2.359   7.247  -4.036
  230    H    ARG  30           H        ARG  30  -3.166   4.017  -0.281
  231    HA   ARG  30           HA       ARG  30  -3.181   1.138  -0.464
  232    HB2  ARG  30           HB2      ARG  30  -4.796   1.046   1.244
  233    HB3  ARG  30           HB3      ARG  30  -3.497   2.128   1.680
  234    HG2  ARG  30           HG2      ARG  30  -4.742   3.979   1.771
  235    HG3  ARG  30           HG3      ARG  30  -5.891   3.482   0.510
  236    HD2  ARG  30           HD2      ARG  30  -5.801   2.382   3.339
  237    HD3  ARG  30           HD3      ARG  30  -6.985   3.543   2.710
  238    HE   ARG  30           HE       ARG  30  -7.159   1.391   0.953
  239   HH11  ARG  30          HH11      ARG  30  -8.397  -0.312   1.048
  240   HH12  ARG  30          HH12      ARG  30  -8.912  -1.012   2.582
  241   HH21  ARG  30          HH21      ARG  30  -8.518   0.093   4.458
  242   HH22  ARG  30          HH22      ARG  30  -7.524   1.531   4.453
  243    HA   PRO  31           HA       PRO  31  -6.420   0.539  -3.532
  244    HB2  PRO  31           HB2      PRO  31  -6.766  -2.037  -2.022
  245    HB3  PRO  31           HB3      PRO  31  -6.641  -1.784  -3.791
  246    HG2  PRO  31           HG2      PRO  31  -4.532  -2.727  -2.365
  247    HG3  PRO  31           HG3      PRO  31  -4.275  -1.491  -3.644
  248    HD2  PRO  31           HD2      PRO  31  -4.415  -1.097  -0.640
  249    HD3  PRO  31           HD3      PRO  31  -3.314  -0.380  -1.836
  250    H    SER  32           H        SER  32  -8.686   0.641  -3.566
  251    HA   SER  32           HA       SER  32 -10.690   1.414  -2.871
  252    HB2  SER  32           HB2      SER  32 -11.996  -0.130  -1.607
  253    HB3  SER  32           HB3      SER  32 -10.892  -1.006  -2.665
  254    HG   SER  32           HG       SER  32 -10.682  -0.581   0.126
  255    H    GLY  33           H        GLY  33  -8.768   3.055  -1.708
  256    HA2  GLY  33           HA2      GLY  33 -10.356   4.437   0.267
  257    HA3  GLY  33           HA3      GLY  33  -8.965   3.663   1.024
  258    H1'  ALL 101           H1       ALL  34  11.851   1.877  -0.649
  259    H2'  ALL 101           H2       ALL  34  13.476   4.062  -2.066
  260    H3'  ALL 101           H3       ALL  34  11.358   4.693  -3.154
  261    H4'  ALL 101           H4       ALL  34  12.786   3.111  -4.354
  262    H5'  ALL 101           H5       ALL  34  11.275   0.871  -2.939
  263   H6'1  ALL 101          H62       ALL  34  12.194   0.400  -5.305
  264   H6'2  ALL 101          H61       ALL  34  12.766  -0.662  -4.004
  265   HO'2  ALL 101          H2O       ALL  34  11.424   4.231  -0.067
  266   HO'3  ALL 101          H3O       ALL  34   9.620   3.071  -2.946
  267   HO'4  ALL 101          H4O       ALL  34  10.800   3.467  -5.345
  268   HO'6  ALL 101          H6O       ALL  34  14.565   0.843  -3.782
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1 -10.462  -5.990   6.366
    2    H2   LYS   1           H2       LYS   1 -10.350  -6.414   4.791
    3    H3   LYS   1           H3       LYS   1 -10.999  -4.967   5.212
    4    HA   LYS   1           HA       LYS   1  -8.925  -4.191   6.103
    5    HB2  LYS   1           HB2      LYS   1  -8.071  -6.429   6.768
    6    HB3  LYS   1           HB3      LYS   1  -7.753  -6.808   5.074
    7    HG2  LYS   1           HG2      LYS   1  -6.197  -4.784   5.008
    8    HG3  LYS   1           HG3      LYS   1  -6.469  -4.604   6.748
    9    HD2  LYS   1           HD2      LYS   1  -5.577  -6.946   7.060
   10    HD3  LYS   1           HD3      LYS   1  -5.229  -7.001   5.316
   11    HE2  LYS   1           HE2      LYS   1  -3.793  -4.948   5.594
   12    HE3  LYS   1           HE3      LYS   1  -4.088  -5.019   7.338
   13    HZ1  LYS   1           HZ1      LYS   1  -2.025  -6.115   6.865
   14    HZ2  LYS   1           HZ2      LYS   1  -3.079  -7.299   7.257
   15    HZ3  LYS   1           HZ3      LYS   1  -2.664  -7.038   5.686
   16    H    LEU   2           H        LEU   2  -8.546  -6.158   3.114
   17    HA   LEU   2           HA       LEU   2  -8.236  -3.679   1.490
   18    HB2  LEU   2           HB2      LEU   2  -6.360  -6.024   1.894
   19    HB3  LEU   2           HB3      LEU   2  -6.323  -5.128   0.382
   20    HG   LEU   2           HG       LEU   2  -6.027  -3.651   3.008
   21   HD11  LEU   2          HD11      LEU   2  -3.599  -3.832   2.761
   22   HD12  LEU   2          HD12      LEU   2  -4.315  -5.441   2.963
   23   HD13  LEU   2          HD13      LEU   2  -3.804  -4.894   1.348
   24   HD21  LEU   2          HD21      LEU   2  -6.426  -2.347   0.901
   25   HD22  LEU   2          HD22      LEU   2  -4.840  -2.039   1.616
   26   HD23  LEU   2          HD23      LEU   2  -4.987  -3.101   0.196
   27    HA   PRO   3           HA       PRO   3 -10.664  -5.775  -1.565
   28    HB2  PRO   3           HB2      PRO   3  -8.849  -5.040  -3.795
   29    HB3  PRO   3           HB3      PRO   3 -10.532  -4.531  -3.491
   30    HG2  PRO   3           HG2      PRO   3  -8.383  -2.848  -3.173
   31    HG3  PRO   3           HG3      PRO   3  -9.864  -2.742  -2.158
   32    HD2  PRO   3           HD2      PRO   3  -7.221  -4.051  -1.499
   33    HD3  PRO   3           HD3      PRO   3  -8.254  -2.994  -0.488
   34    HA   PRO   4           HA       PRO   4  -9.446  -9.813  -2.496
   35    HB2  PRO   4           HB2      PRO   4  -9.909  -9.400  -5.459
   36    HB3  PRO   4           HB3      PRO   4 -10.421 -10.766  -4.415
   37    HG2  PRO   4           HG2      PRO   4 -12.187  -8.812  -5.006
   38    HG3  PRO   4           HG3      PRO   4 -12.057  -9.394  -3.310
   39    HD2  PRO   4           HD2      PRO   4 -10.845  -6.910  -4.549
   40    HD3  PRO   4           HD3      PRO   4 -11.685  -7.100  -2.979
   41    H    GLY   5           H        GLY   5  -7.511 -10.612  -2.296
   42    HA2  GLY   5           HA2      GLY   5  -5.436 -11.443  -2.863
   43    HA3  GLY   5           HA3      GLY   5  -5.483 -10.552  -4.393
   44    H    TRP   6           H        TRP   6  -6.023  -8.010  -2.506
   45    HA   TRP   6           HA       TRP   6  -3.233  -7.205  -2.504
   46    HB2  TRP   6           HB2      TRP   6  -5.750  -5.819  -1.613
   47    HB3  TRP   6           HB3      TRP   6  -4.143  -5.091  -1.491
   48    HD1  TRP   6           HD1      TRP   6  -6.863  -5.933  -3.958
   49    HE1  TRP   6           HE1      TRP   6  -6.361  -4.919  -6.263
   50    HE3  TRP   6           HE3      TRP   6  -2.025  -4.500  -3.144
   51    HZ2  TRP   6           HZ2      TRP   6  -4.065  -3.888  -7.649
   52    HZ3  TRP   6           HZ3      TRP   6  -0.683  -3.527  -5.000
   53    HH2  TRP   6           HH2      TRP   6  -1.678  -3.228  -7.252
   54    H    GLU   7           H        GLU   7  -1.792  -6.974  -0.927
   55    HA   GLU   7           HA       GLU   7  -2.553  -6.908   1.906
   56    HB2  GLU   7           HB2      GLU   7  -2.356  -9.272   1.588
   57    HB3  GLU   7           HB3      GLU   7  -0.886  -9.098   0.646
   58    HG2  GLU   7           HG2      GLU   7  -0.446 -10.081   2.801
   59    HG3  GLU   7           HG3      GLU   7   0.412  -8.570   2.598
   60    H    LYS   8           H        LYS   8  -0.885  -6.101   3.286
   61    HA   LYS   8           HA       LYS   8   0.783  -4.064   2.087
   62    HB2  LYS   8           HB2      LYS   8   0.482  -5.101   4.915
   63    HB3  LYS   8           HB3      LYS   8   1.768  -3.960   4.488
   64    HG2  LYS   8           HG2      LYS   8   0.132  -2.365   3.587
   65    HG3  LYS   8           HG3      LYS   8  -1.178  -3.496   3.937
   66    HD2  LYS   8           HD2      LYS   8  -1.182  -1.851   5.674
   67    HD3  LYS   8           HD3      LYS   8  -0.553  -3.342   6.393
   68    HE2  LYS   8           HE2      LYS   8   1.783  -2.468   6.077
   69    HE3  LYS   8           HE3      LYS   8   1.115  -0.993   5.368
   70    HZ1  LYS   8           HZ1      LYS   8   0.623  -1.917   8.149
   71    HZ2  LYS   8           HZ2      LYS   8   1.623  -0.700   7.724
   72    HZ3  LYS   8           HZ3      LYS   8   0.014  -0.547   7.495
   73    H    ARG   9           H        ARG   9   2.869  -3.791   1.883
   74    HA   ARG   9           HA       ARG   9   4.829  -5.962   2.361
   75    HB2  ARG   9           HB2      ARG   9   3.637  -6.121   0.018
   76    HB3  ARG   9           HB3      ARG   9   4.500  -4.643  -0.369
   77    HG2  ARG   9           HG2      ARG   9   5.727  -6.461  -1.277
   78    HG3  ARG   9           HG3      ARG   9   6.663  -5.877   0.106
   79    HD2  ARG   9           HD2      ARG   9   6.783  -8.176   0.345
   80    HD3  ARG   9           HD3      ARG   9   5.465  -7.787   1.455
   81    HE   ARG   9           HE       ARG   9   5.306  -9.096  -1.222
   82   HH11  ARG   9          HH11      ARG   9   2.495 -10.819  -0.369
   83   HH12  ARG   9          HH12      ARG   9   3.819 -10.663  -1.489
   84   HH21  ARG   9          HH21      ARG   9   3.376  -8.178   1.612
   85   HH22  ARG   9          HH22      ARG   9   2.287  -9.497   1.334
   86    H    MET  10           H        MET  10   7.119  -5.130   2.035
   87    HA   MET  10           HA       MET  10   7.410  -2.231   1.978
   88    HB2  MET  10           HB2      MET  10   8.395  -1.958   4.170
   89    HB3  MET  10           HB3      MET  10   6.719  -2.515   4.296
   90    HG2  MET  10           HG2      MET  10   7.491  -4.806   4.747
   91    HG3  MET  10           HG3      MET  10   9.172  -4.291   4.609
   92    HE1  MET  10           HE1      MET  10  10.475  -2.859   6.300
   93    HE2  MET  10           HE2      MET  10   9.329  -1.501   6.199
   94    HE3  MET  10           HE3      MET  10   9.795  -2.153   7.782
   95    H    PHE  11           H        PHE  11   9.319  -1.459   1.543
   96    HA   PHE  11           HA       PHE  11  11.440  -3.183   0.556
   97    HB2  PHE  11           HB2      PHE  11  11.105  -0.186   0.762
   98    HB3  PHE  11           HB3      PHE  11  12.546  -0.959   0.093
   99    HD1  PHE  11           HD1      PHE  11  12.205  -2.668  -1.850
  100    HD2  PHE  11           HD2      PHE  11   9.282   0.309  -0.712
  101    HE1  PHE  11           HE1      PHE  11  11.156  -2.826  -4.097
  102    HE2  PHE  11           HE2      PHE  11   8.249   0.138  -2.950
  103    HZ   PHE  11           HZ       PHE  11   9.181  -1.417  -4.651
  104    H    ALA  12           H        ALA  12  13.673  -3.104   1.164
  105    HA   ALA  12           HA       ALA  12  14.133  -3.491   3.936
  106    HB1  ALA  12           HB1      ALA  12  16.105  -2.989   1.662
  107    HB2  ALA  12           HB2      ALA  12  16.488  -3.719   3.235
  108    HB3  ALA  12           HB3      ALA  12  15.406  -4.563   2.113
  109    H    ASN  13           H        ASN  13  14.232  -0.527   2.112
  110    HA   ASN  13           HA       ASN  13  15.796   1.001   4.059
  111    HB2  ASN  13           HB2      ASN  13  15.250   2.917   2.609
  112    HB3  ASN  13           HB3      ASN  13  15.900   1.547   1.695
  113   HD21  ASN  13          HD21      ASN  13  14.979   2.679  -0.148
  114    H    GLY  14           H        GLY  14  12.678  -0.204   4.282
  115    HA2  GLY  14           HA2      GLY  14  11.191   0.189   6.044
  116    HA3  GLY  14           HA3      GLY  14  11.921   1.771   6.359
  117    H    THR  15           H        THR  15  11.003   1.057   3.047
  118    HA   THR  15           HA       THR  15   8.762   3.014   3.208
  119    HB   THR  15           HB       THR  15  10.007   1.737   0.762
  120    HG1  THR  15           HG1      THR  15  11.481   2.943   1.753
  121   HG21  THR  15          HG21      THR  15   8.980   3.762  -0.373
  122   HG22  THR  15          HG22      THR  15   7.858   2.503   0.146
  123   HG23  THR  15          HG23      THR  15   8.022   4.004   1.100
  124    H    VAL  16           H        VAL  16   6.684   2.406   3.248
  125    HA   VAL  16           HA       VAL  16   5.964  -0.452   2.863
  126    HB   VAL  16           HB       VAL  16   4.450   1.897   4.060
  127   HG11  VAL  16          HG11      VAL  16   2.822   0.226   4.884
  128   HG12  VAL  16          HG12      VAL  16   2.790   0.349   3.130
  129   HG13  VAL  16          HG13      VAL  16   3.611  -1.030   3.900
  130   HG21  VAL  16          HG21      VAL  16   4.730   0.673   6.185
  131   HG22  VAL  16          HG22      VAL  16   5.660  -0.586   5.353
  132   HG23  VAL  16          HG23      VAL  16   6.305   1.067   5.481
  133    H    TYR  17           H        TYR  17   4.503  -1.180   1.435
  134    HA   TYR  17           HA       TYR  17   2.917   0.559  -0.306
  135    HB2  TYR  17           HB2      TYR  17   3.791  -0.299  -2.380
  136    HB3  TYR  17           HB3      TYR  17   5.087   0.434  -1.487
  137    HD1  TYR  17           HD1      TYR  17   6.802  -1.048  -0.294
  138    HD2  TYR  17           HD2      TYR  17   3.946  -2.559  -3.159
  139    HE1  TYR  17           HE1      TYR  17   8.282  -2.991  -0.755
  140    HE2  TYR  17           HE2      TYR  17   5.417  -4.518  -3.587
  141    HH   TYR  17           HH       TYR  17   8.638  -4.815  -2.071
  142    H    TYR  18           H        TYR  18   1.911  -1.236  -2.021
  143    HA   TYR  18           HA       TYR  18   0.860  -3.512  -0.395
  144    HB2  TYR  18           HB2      TYR  18  -0.697  -1.657  -2.233
  145    HB3  TYR  18           HB3      TYR  18  -1.335  -3.064  -1.369
  146    HD1  TYR  18           HD1      TYR  18  -1.906  -2.957   0.985
  147    HD2  TYR  18           HD2      TYR  18  -0.016   0.392  -0.972
  148    HE1  TYR  18           HE1      TYR  18  -2.403  -1.518   2.958
  149    HE2  TYR  18           HE2      TYR  18  -0.460   1.812   1.023
  150    HH   TYR  18           HH       TYR  18  -2.146   0.533   3.911
  151    H    PHE  19           H        PHE  19   0.456  -5.398  -1.457
  152    HA   PHE  19           HA       PHE  19   1.209  -5.636  -4.345
  153    HB2  PHE  19           HB2      PHE  19   3.175  -6.119  -2.971
  154    HB3  PHE  19           HB3      PHE  19   2.250  -7.304  -2.034
  155    HD1  PHE  19           HD1      PHE  19   3.515  -6.469  -5.420
  156    HD2  PHE  19           HD2      PHE  19   1.900  -9.575  -2.906
  157    HE1  PHE  19           HE1      PHE  19   3.995  -8.124  -7.178
  158    HE2  PHE  19           HE2      PHE  19   2.474 -11.263  -4.636
  159    HZ   PHE  19           HZ       PHE  19   3.519 -10.551  -6.779
  160    H    ASN  20           H        ASN  20   0.002  -7.042  -5.520
  161    HA   ASN  20           HA       ASN  20  -2.232  -8.414  -4.120
  162    HB2  ASN  20           HB2      ASN  20  -2.643  -6.780  -6.001
  163    HB3  ASN  20           HB3      ASN  20  -1.908  -7.963  -7.099
  164   HD21  ASN  20          HD21      ASN  20  -4.825  -6.890  -6.109
  165   HD22  ASN  20          HD22      ASN  20  -5.749  -8.382  -6.125
  166    H    HIS  21           H        HIS  21  -1.938 -10.507  -3.606
  167    HA   HIS  21           HA       HIS  21   0.245 -12.049  -4.724
  168    HB2  HIS  21           HB2      HIS  21  -0.158 -13.561  -3.075
  169    HB3  HIS  21           HB3      HIS  21  -0.804 -12.097  -2.335
  170    HD2  HIS  21           HD2      HIS  21  -3.356 -12.172  -1.601
  171    HE1  HIS  21           HE1      HIS  21  -4.285 -16.092  -2.992
  172    HE2  HIS  21           HE2      HIS  21  -5.115 -14.132  -1.596
  173    H    ILE  22           H        ILE  22  -3.094 -11.743  -5.658
  174    HA   ILE  22           HA       ILE  22  -3.239 -14.297  -7.106
  175    HB   ILE  22           HB       ILE  22  -5.146 -11.918  -6.988
  176   HG12  ILE  22          HG12      ILE  22  -5.172 -14.538  -5.404
  177   HG13  ILE  22          HG13      ILE  22  -4.763 -12.941  -4.752
  178   HG21  ILE  22          HG21      ILE  22  -5.621 -14.773  -7.943
  179   HG22  ILE  22          HG22      ILE  22  -6.851 -13.492  -7.829
  180   HG23  ILE  22          HG23      ILE  22  -5.537 -13.326  -8.975
  181   HD11  ILE  22          HD11      ILE  22  -7.089 -12.166  -5.348
  182   HD12  ILE  22          HD12      ILE  22  -7.489 -13.874  -5.663
  183   HD13  ILE  22          HD13      ILE  22  -6.952 -13.368  -4.050
  184    H    THR  23           H        THR  23  -2.932 -10.845  -7.831
  185    HA   THR  23           HA       THR  23  -2.729 -11.395 -10.736
  186    HB   THR  23           HB       THR  23  -3.635  -9.316 -11.191
  187    HG1  THR  23           HG1      THR  23  -4.093  -8.036  -9.119
  188   HG21  THR  23          HG21      THR  23  -5.731  -9.183 -10.031
  189   HG22  THR  23          HG22      THR  23  -5.324 -10.900 -10.176
  190   HG23  THR  23          HG23      THR  23  -5.107 -10.060  -8.623
  191    H    ASN  24           H        ASN  24  -0.574 -10.785  -8.354
  192    HA   ASN  24           HA       ASN  24   1.436  -9.972  -8.089
  193    HB2  ASN  24           HB2      ASN  24   3.149 -10.392  -9.741
  194    HB3  ASN  24           HB3      ASN  24   2.044 -11.752  -9.540
  195   HD21  ASN  24          HD21      ASN  24   1.225 -12.657 -11.394
  196   HD22  ASN  24          HD22      ASN  24   1.323 -11.883 -12.977
  197    H    ALA  25           H        ALA  25  -0.647  -7.984  -9.084
  198    HA   ALA  25           HA       ALA  25   0.863  -5.739 -10.093
  199    HB1  ALA  25           HB1      ALA  25  -1.585  -5.987 -10.361
  200    HB2  ALA  25           HB2      ALA  25  -1.794  -5.875  -8.600
  201    HB3  ALA  25           HB3      ALA  25  -1.176  -4.483  -9.516
  202    H    SER  26           H        SER  26   1.365  -3.784  -8.938
  203    HA   SER  26           HA       SER  26   1.517  -3.909  -5.992
  204    HB2  SER  26           HB2      SER  26   3.777  -3.002  -5.918
  205    HB3  SER  26           HB3      SER  26   3.734  -4.619  -6.620
  206    HG   SER  26           HG       SER  26   3.994  -3.744  -8.648
  207    H    GLN  27           H        GLN  27   1.494  -1.896  -4.946
  208    HA   GLN  27           HA       GLN  27   1.101   0.584  -6.490
  209    HB2  GLN  27           HB2      GLN  27  -1.060  -0.534  -6.722
  210    HB3  GLN  27           HB3      GLN  27  -1.124  -0.842  -4.988
  211    HG2  GLN  27           HG2      GLN  27  -2.628   0.960  -5.601
  212    HG3  GLN  27           HG3      GLN  27  -1.362   1.524  -4.519
  213   HE21  GLN  27          HE21      GLN  27  -2.103   1.347  -8.071
  214   HE22  GLN  27          HE22      GLN  27  -1.249   2.851  -8.432
  215    H    PHE  28           H        PHE  28   1.217   2.446  -5.243
  216    HA   PHE  28           HA       PHE  28   2.291   2.108  -2.501
  217    HB2  PHE  28           HB2      PHE  28   2.482   4.374  -4.468
  218    HB3  PHE  28           HB3      PHE  28   2.902   4.545  -2.760
  219    HD1  PHE  28           HD1      PHE  28   4.833   3.351  -1.758
  220    HD2  PHE  28           HD2      PHE  28   3.922   3.072  -5.969
  221    HE1  PHE  28           HE1      PHE  28   7.116   2.483  -2.201
  222    HE2  PHE  28           HE2      PHE  28   6.207   2.197  -6.402
  223    HZ   PHE  28           HZ       PHE  28   7.809   1.914  -4.522
  224    H    GLU  29           H        GLU  29  -0.415   3.736  -4.083
  225    HA   GLU  29           HA       GLU  29  -1.399   4.943  -1.604
  226    HB2  GLU  29           HB2      GLU  29  -1.748   6.008  -3.763
  227    HB3  GLU  29           HB3      GLU  29  -2.661   4.606  -4.350
  228    HG2  GLU  29           HG2      GLU  29  -4.413   5.002  -2.674
  229    HG3  GLU  29           HG3      GLU  29  -3.472   6.317  -1.963
  230    H    ARG  30           H        ARG  30  -2.894   4.159  -0.201
  231    HA   ARG  30           HA       ARG  30  -3.220   1.429   0.203
  232    HB2  ARG  30           HB2      ARG  30  -3.308   3.097   1.895
  233    HB3  ARG  30           HB3      ARG  30  -4.803   3.772   1.279
  234    HG2  ARG  30           HG2      ARG  30  -4.758   0.846   2.063
  235    HG3  ARG  30           HG3      ARG  30  -4.664   2.062   3.343
  236    HD2  ARG  30           HD2      ARG  30  -6.856   2.389   3.307
  237    HD3  ARG  30           HD3      ARG  30  -6.781   2.917   1.636
  238    HE   ARG  30           HE       ARG  30  -7.448   0.814   0.876
  239   HH11  ARG  30          HH11      ARG  30  -7.012   0.520   4.369
  240   HH12  ARG  30          HH12      ARG  30  -7.946  -0.964   4.387
  241   HH21  ARG  30          HH21      ARG  30  -8.585  -0.960   1.037
  242   HH22  ARG  30          HH22      ARG  30  -8.802  -1.768   2.602
  243    HA   PRO  31           HA       PRO  31  -5.985   0.632  -3.195
  244    HB2  PRO  31           HB2      PRO  31  -6.045  -2.128  -1.968
  245    HB3  PRO  31           HB3      PRO  31  -5.880  -1.670  -3.693
  246    HG2  PRO  31           HG2      PRO  31  -3.697  -2.353  -2.261
  247    HG3  PRO  31           HG3      PRO  31  -3.630  -0.913  -3.334
  248    HD2  PRO  31           HD2      PRO  31  -4.042  -1.012  -0.334
  249    HD3  PRO  31           HD3      PRO  31  -3.006   0.055  -1.311
  250    H    SER  32           H        SER  32  -8.151   0.372  -3.719
  251    HA   SER  32           HA       SER  32 -10.144  -0.403  -1.690
  252    HB2  SER  32           HB2      SER  32  -9.695   2.002  -1.255
  253    HB3  SER  32           HB3      SER  32 -10.146   2.372  -2.932
  254    HG   SER  32           HG       SER  32 -11.879   2.640  -1.436
  255    H    GLY  33           H        GLY  33 -12.263  -0.702  -2.577
  256    HA2  GLY  33           HA2      GLY  33 -12.943  -0.531  -5.365
  257    HA3  GLY  33           HA3      GLY  33 -12.373  -2.160  -4.990
  258    H1'  ALL 101           H1       ALL  34  12.108   1.975  -0.549
  259    H2'  ALL 101           H2       ALL  34  13.815   4.125  -1.917
  260    H3'  ALL 101           H3       ALL  34  11.891   4.610  -3.333
  261    H4'  ALL 101           H4       ALL  34  13.429   2.956  -4.235
  262    H5'  ALL 101           H5       ALL  34  11.789   0.814  -2.813
  263   H6'1  ALL 101          H62       ALL  34  12.976   0.174  -5.023
  264   H6'2  ALL 101          H61       ALL  34  13.393  -0.779  -3.584
  265   HO'2  ALL 101          H2O       ALL  34  11.686   4.268  -0.029
  266   HO'3  ALL 101          H3O       ALL  34  10.181   4.006  -2.000
  267   HO'4  ALL 101          H4O       ALL  34  10.654   2.430  -4.445
  268   HO'6  ALL 101          H6O       ALL  34  15.146   0.773  -3.273
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1 -10.760  -1.290   4.881
    2    H2   LYS   1           H2       LYS   1 -11.204  -2.116   6.223
    3    H3   LYS   1           H3       LYS   1 -11.906  -2.451   4.779
    4    HA   LYS   1           HA       LYS   1  -9.072  -2.877   5.434
    5    HB2  LYS   1           HB2      LYS   1 -10.644  -4.420   6.617
    6    HB3  LYS   1           HB3      LYS   1 -11.286  -4.940   5.064
    7    HG2  LYS   1           HG2      LYS   1  -9.766  -6.586   5.977
    8    HG3  LYS   1           HG3      LYS   1  -9.108  -5.951   4.478
    9    HD2  LYS   1           HD2      LYS   1  -7.628  -4.404   5.885
   10    HD3  LYS   1           HD3      LYS   1  -8.234  -5.227   7.322
   11    HE2  LYS   1           HE2      LYS   1  -6.744  -6.540   4.998
   12    HE3  LYS   1           HE3      LYS   1  -6.009  -6.041   6.522
   13    HZ1  LYS   1           HZ1      LYS   1  -7.470  -7.619   7.675
   14    HZ2  LYS   1           HZ2      LYS   1  -8.128  -8.108   6.258
   15    HZ3  LYS   1           HZ3      LYS   1  -6.552  -8.390   6.570
   16    H    LEU   2           H        LEU   2  -7.899  -4.139   3.781
   17    HA   LEU   2           HA       LEU   2  -8.055  -3.042   1.184
   18    HB2  LEU   2           HB2      LEU   2  -6.636  -5.422   2.427
   19    HB3  LEU   2           HB3      LEU   2  -6.559  -5.154   0.684
   20    HG   LEU   2           HG       LEU   2  -5.517  -2.972   0.973
   21   HD11  LEU   2          HD11      LEU   2  -5.538  -3.586   3.960
   22   HD12  LEU   2          HD12      LEU   2  -4.604  -2.291   3.171
   23   HD13  LEU   2          HD13      LEU   2  -6.368  -2.231   3.141
   24   HD21  LEU   2          HD21      LEU   2  -4.094  -4.918   0.757
   25   HD22  LEU   2          HD22      LEU   2  -3.357  -3.834   1.945
   26   HD23  LEU   2          HD23      LEU   2  -4.221  -5.276   2.495
   27    HA   PRO   3           HA       PRO   3 -10.988  -5.737  -0.933
   28    HB2  PRO   3           HB2      PRO   3 -10.190  -5.451  -3.532
   29    HB3  PRO   3           HB3      PRO   3 -10.934  -4.111  -2.602
   30    HG2  PRO   3           HG2      PRO   3  -7.977  -4.668  -3.017
   31    HG3  PRO   3           HG3      PRO   3  -8.850  -3.138  -3.318
   32    HD2  PRO   3           HD2      PRO   3  -7.509  -3.618  -0.993
   33    HD3  PRO   3           HD3      PRO   3  -9.052  -2.710  -0.986
   34    HA   PRO   4           HA       PRO   4  -9.336  -9.775  -1.369
   35    HB2  PRO   4           HB2      PRO   4 -10.521  -9.957  -4.144
   36    HB3  PRO   4           HB3      PRO   4 -10.603 -11.144  -2.802
   37    HG2  PRO   4           HG2      PRO   4 -12.705  -9.515  -3.272
   38    HG3  PRO   4           HG3      PRO   4 -12.142  -9.759  -1.584
   39    HD2  PRO   4           HD2      PRO   4 -11.553  -7.445  -3.450
   40    HD3  PRO   4           HD3      PRO   4 -12.037  -7.417  -1.724
   41    H    GLY   5           H        GLY   5  -7.508 -10.820  -1.922
   42    HA2  GLY   5           HA2      GLY   5  -5.605 -11.472  -3.058
   43    HA3  GLY   5           HA3      GLY   5  -6.056 -10.431  -4.420
   44    H    TRP   6           H        TRP   6  -6.197  -8.025  -2.495
   45    HA   TRP   6           HA       TRP   6  -3.371  -7.303  -2.689
   46    HB2  TRP   6           HB2      TRP   6  -5.813  -5.745  -1.858
   47    HB3  TRP   6           HB3      TRP   6  -4.168  -5.110  -1.799
   48    HD1  TRP   6           HD1      TRP   6  -6.829  -6.210  -4.298
   49    HE1  TRP   6           HE1      TRP   6  -6.321  -5.237  -6.619
   50    HE3  TRP   6           HE3      TRP   6  -2.121  -4.382  -3.403
   51    HZ2  TRP   6           HZ2      TRP   6  -4.113  -3.963  -7.951
   52    HZ3  TRP   6           HZ3      TRP   6  -0.826  -3.311  -5.256
   53    HH2  TRP   6           HH2      TRP   6  -1.805  -3.112  -7.513
   54    H    GLU   7           H        GLU   7  -1.962  -6.766  -1.145
   55    HA   GLU   7           HA       GLU   7  -2.542  -7.164   1.754
   56    HB2  GLU   7           HB2      GLU   7  -0.260  -8.401   0.152
   57    HB3  GLU   7           HB3      GLU   7  -0.445  -8.469   1.906
   58    HG2  GLU   7           HG2      GLU   7  -2.525  -9.797   1.629
   59    HG3  GLU   7           HG3      GLU   7  -2.272  -9.804  -0.126
   60    H    LYS   8           H        LYS   8  -0.891  -6.234   3.144
   61    HA   LYS   8           HA       LYS   8   0.550  -3.912   2.030
   62    HB2  LYS   8           HB2      LYS   8   0.142  -5.001   4.822
   63    HB3  LYS   8           HB3      LYS   8   1.485  -3.899   4.484
   64    HG2  LYS   8           HG2      LYS   8  -0.039  -2.224   3.550
   65    HG3  LYS   8           HG3      LYS   8  -1.411  -3.309   3.798
   66    HD2  LYS   8           HD2      LYS   8  -1.401  -1.665   5.564
   67    HD3  LYS   8           HD3      LYS   8  -0.971  -3.230   6.273
   68    HE2  LYS   8           HE2      LYS   8   1.441  -2.587   6.202
   69    HE3  LYS   8           HE3      LYS   8   1.008  -1.041   5.466
   70    HZ1  LYS   8           HZ1      LYS   8   0.156  -1.942   8.167
   71    HZ2  LYS   8           HZ2      LYS   8   1.316  -0.834   7.866
   72    HZ3  LYS   8           HZ3      LYS   8  -0.240  -0.507   7.492
   73    H    ARG   9           H        ARG   9   2.679  -3.626   1.854
   74    HA   ARG   9           HA       ARG   9   4.585  -5.853   2.301
   75    HB2  ARG   9           HB2      ARG   9   3.323  -5.858  -0.054
   76    HB3  ARG   9           HB3      ARG   9   4.373  -4.498  -0.412
   77    HG2  ARG   9           HG2      ARG   9   5.368  -6.463  -1.311
   78    HG3  ARG   9           HG3      ARG   9   6.347  -6.009   0.091
   79    HD2  ARG   9           HD2      ARG   9   6.171  -8.297   0.347
   80    HD3  ARG   9           HD3      ARG   9   4.875  -7.745   1.411
   81    HE   ARG   9           HE       ARG   9   4.604  -8.961  -1.313
   82   HH11  ARG   9          HH11      ARG   9   2.777  -8.153   1.659
   83   HH12  ARG   9          HH12      ARG   9   1.708  -9.512   1.317
   84   HH21  ARG   9          HH21      ARG   9   3.067 -10.567  -1.513
   85   HH22  ARG   9          HH22      ARG   9   1.801 -10.657  -0.285
   86    H    MET  10           H        MET  10   6.894  -5.099   1.864
   87    HA   MET  10           HA       MET  10   7.295  -2.204   2.215
   88    HB2  MET  10           HB2      MET  10   6.622  -3.089   4.465
   89    HB3  MET  10           HB3      MET  10   8.024  -4.176   4.411
   90    HG2  MET  10           HG2      MET  10   9.455  -2.058   4.155
   91    HG3  MET  10           HG3      MET  10   8.008  -1.140   4.549
   92    HE1  MET  10           HE1      MET  10   6.941  -1.045   7.022
   93    HE2  MET  10           HE2      MET  10   6.569  -2.775   6.822
   94    HE3  MET  10           HE3      MET  10   7.373  -2.199   8.296
   95    H    PHE  11           H        PHE  11   9.192  -1.504   1.599
   96    HA   PHE  11           HA       PHE  11  11.194  -3.227   0.406
   97    HB2  PHE  11           HB2      PHE  11  10.942  -0.242   0.769
   98    HB3  PHE  11           HB3      PHE  11  12.355  -0.997   0.026
   99    HD1  PHE  11           HD1      PHE  11   9.125   0.379  -0.654
  100    HD2  PHE  11           HD2      PHE  11  11.922  -2.646  -1.965
  101    HE1  PHE  11           HE1      PHE  11   8.043   0.328  -2.878
  102    HE2  PHE  11           HE2      PHE  11  10.827  -2.682  -4.194
  103    HZ   PHE  11           HZ       PHE  11   8.889  -1.190  -4.654
  104    H    ALA  12           H        ALA  12  13.496  -3.186   0.836
  105    HA   ALA  12           HA       ALA  12  14.148  -3.802   3.524
  106    HB1  ALA  12           HB1      ALA  12  15.961  -3.063   1.183
  107    HB2  ALA  12           HB2      ALA  12  16.454  -3.925   2.657
  108    HB3  ALA  12           HB3      ALA  12  15.312  -4.684   1.535
  109    H    ASN  13           H        ASN  13  14.118  -0.688   1.960
  110    HA   ASN  13           HA       ASN  13  15.751   0.682   3.978
  111    HB2  ASN  13           HB2      ASN  13  15.183   2.704   2.680
  112    HB3  ASN  13           HB3      ASN  13  15.827   1.406   1.664
  113   HD21  ASN  13          HD21      ASN  13  14.882   2.619  -0.106
  114    H    GLY  14           H        GLY  14  12.631  -0.525   4.166
  115    HA2  GLY  14           HA2      GLY  14  11.142  -0.249   5.934
  116    HA3  GLY  14           HA3      GLY  14  11.910   1.279   6.395
  117    H    THR  15           H        THR  15  10.947   0.885   3.035
  118    HA   THR  15           HA       THR  15   8.776   2.896   3.383
  119    HB   THR  15           HB       THR  15   9.965   1.759   0.837
  120    HG1  THR  15           HG1      THR  15  11.467   2.865   1.901
  121   HG21  THR  15          HG21      THR  15   7.839   2.613   0.272
  122   HG22  THR  15          HG22      THR  15   8.023   4.034   1.341
  123   HG23  THR  15          HG23      THR  15   8.983   3.892  -0.144
  124    H    VAL  16           H        VAL  16   6.649   2.396   3.289
  125    HA   VAL  16           HA       VAL  16   5.860  -0.433   2.828
  126    HB   VAL  16           HB       VAL  16   4.428   1.950   4.058
  127   HG11  VAL  16          HG11      VAL  16   2.652   0.362   4.748
  128   HG12  VAL  16          HG12      VAL  16   2.683   0.586   3.004
  129   HG13  VAL  16          HG13      VAL  16   3.374  -0.892   3.716
  130   HG21  VAL  16          HG21      VAL  16   6.181   0.891   5.467
  131   HG22  VAL  16          HG22      VAL  16   4.561   0.598   6.120
  132   HG23  VAL  16          HG23      VAL  16   5.397  -0.691   5.232
  133    H    TYR  17           H        TYR  17   4.416  -1.093   1.362
  134    HA   TYR  17           HA       TYR  17   2.940   0.714  -0.408
  135    HB2  TYR  17           HB2      TYR  17   3.819  -0.184  -2.462
  136    HB3  TYR  17           HB3      TYR  17   5.129   0.499  -1.545
  137    HD1  TYR  17           HD1      TYR  17   6.753  -1.056  -0.313
  138    HD2  TYR  17           HD2      TYR  17   3.878  -2.457  -3.212
  139    HE1  TYR  17           HE1      TYR  17   8.151  -3.069  -0.738
  140    HE2  TYR  17           HE2      TYR  17   5.272  -4.480  -3.613
  141    HH   TYR  17           HH       TYR  17   8.431  -4.934  -2.011
  142    H    TYR  18           H        TYR  18   1.844  -0.983  -2.123
  143    HA   TYR  18           HA       TYR  18   0.685  -3.220  -0.520
  144    HB2  TYR  18           HB2      TYR  18  -0.763  -1.291  -2.363
  145    HB3  TYR  18           HB3      TYR  18  -1.477  -2.659  -1.496
  146    HD1  TYR  18           HD1      TYR  18  -0.040   0.740  -1.147
  147    HD2  TYR  18           HD2      TYR  18  -1.941  -2.537   0.906
  148    HE1  TYR  18           HE1      TYR  18  -0.388   2.193   0.850
  149    HE2  TYR  18           HE2      TYR  18  -2.335  -1.073   2.881
  150    HH   TYR  18           HH       TYR  18  -1.993   0.988   3.808
  151    H    PHE  19           H        PHE  19   0.177  -5.086  -1.597
  152    HA   PHE  19           HA       PHE  19   1.145  -5.417  -4.423
  153    HB2  PHE  19           HB2      PHE  19   2.964  -5.797  -2.753
  154    HB3  PHE  19           HB3      PHE  19   1.966  -7.041  -1.981
  155    HD1  PHE  19           HD1      PHE  19   3.799  -6.077  -5.038
  156    HD2  PHE  19           HD2      PHE  19   1.700  -9.257  -3.037
  157    HE1  PHE  19           HE1      PHE  19   4.570  -7.656  -6.768
  158    HE2  PHE  19           HE2      PHE  19   2.570 -10.881  -4.710
  159    HZ   PHE  19           HZ       PHE  19   4.010 -10.090  -6.580
  160    H    ASN  20           H        ASN  20  -0.029  -6.898  -5.597
  161    HA   ASN  20           HA       ASN  20  -2.234  -8.345  -4.215
  162    HB2  ASN  20           HB2      ASN  20  -2.728  -6.847  -6.168
  163    HB3  ASN  20           HB3      ASN  20  -1.812  -7.966  -7.193
  164   HD21  ASN  20          HD21      ASN  20  -5.625  -8.834  -6.381
  165   HD22  ASN  20          HD22      ASN  20  -4.908  -7.254  -6.056
  166    H    HIS  21           H        HIS  21  -1.944 -10.435  -3.680
  167    HA   HIS  21           HA       HIS  21   0.450 -11.843  -4.530
  168    HB2  HIS  21           HB2      HIS  21  -0.029 -13.379  -2.907
  169    HB3  HIS  21           HB3      HIS  21  -0.761 -11.916  -2.243
  170    HD2  HIS  21           HD2      HIS  21  -3.373 -12.027  -1.727
  171    HE1  HIS  21           HE1      HIS  21  -4.080 -16.018  -3.040
  172    HE2  HIS  21           HE2      HIS  21  -5.074 -14.035  -1.792
  173    H    ILE  22           H        ILE  22  -2.787 -11.789  -5.784
  174    HA   ILE  22           HA       ILE  22  -2.673 -14.404  -7.102
  175    HB   ILE  22           HB       ILE  22  -4.696 -12.139  -7.371
  176   HG12  ILE  22          HG12      ILE  22  -4.752 -14.520  -5.460
  177   HG13  ILE  22          HG13      ILE  22  -4.485 -12.830  -4.991
  178   HG21  ILE  22          HG21      ILE  22  -6.227 -13.896  -8.156
  179   HG22  ILE  22          HG22      ILE  22  -4.806 -13.819  -9.179
  180   HG23  ILE  22          HG23      ILE  22  -4.944 -15.115  -7.970
  181   HD11  ILE  22          HD11      ILE  22  -6.761 -12.260  -5.857
  182   HD12  ILE  22          HD12      ILE  22  -7.063 -14.009  -6.040
  183   HD13  ILE  22          HD13      ILE  22  -6.710 -13.331  -4.442
  184    H    THR  23           H        THR  23  -2.464 -10.981  -7.990
  185    HA   THR  23           HA       THR  23  -1.922 -11.660 -10.828
  186    HB   THR  23           HB       THR  23  -2.898  -9.639 -11.468
  187    HG1  THR  23           HG1      THR  23  -3.706  -8.307  -9.605
  188   HG21  THR  23          HG21      THR  23  -5.135  -9.685 -10.608
  189   HG22  THR  23          HG22      THR  23  -4.561 -11.360 -10.646
  190   HG23  THR  23          HG23      THR  23  -4.631 -10.478  -9.103
  191    H    ASN  24           H        ASN  24  -0.101 -10.763  -8.258
  192    HA   ASN  24           HA       ASN  24   1.801  -9.771  -7.830
  193    HB2  ASN  24           HB2      ASN  24   3.712 -10.129  -9.275
  194    HB3  ASN  24           HB3      ASN  24   2.706 -11.566  -9.084
  195   HD21  ASN  24          HD21      ASN  24   2.121 -12.646 -10.935
  196   HD22  ASN  24          HD22      ASN  24   2.336 -11.976 -12.555
  197    H    ALA  25           H        ALA  25  -0.302  -8.006  -9.092
  198    HA   ALA  25           HA       ALA  25   1.094  -5.688 -10.091
  199    HB1  ALA  25           HB1      ALA  25  -1.609  -5.953  -8.701
  200    HB2  ALA  25           HB2      ALA  25  -1.047  -4.557  -9.644
  201    HB3  ALA  25           HB3      ALA  25  -1.322  -6.116 -10.448
  202    H    SER  26           H        SER  26   1.451  -3.673  -8.961
  203    HA   SER  26           HA       SER  26   1.520  -3.718  -6.018
  204    HB2  SER  26           HB2      SER  26   3.827  -3.009  -5.849
  205    HB3  SER  26           HB3      SER  26   3.710  -4.601  -6.612
  206    HG   SER  26           HG       SER  26   4.097  -3.677  -8.596
  207    H    GLN  27           H        GLN  27   1.459  -1.664  -5.039
  208    HA   GLN  27           HA       GLN  27   1.672   0.777  -6.622
  209    HB2  GLN  27           HB2      GLN  27  -0.575   1.496  -6.536
  210    HB3  GLN  27           HB3      GLN  27  -0.612  -0.145  -7.187
  211    HG2  GLN  27           HG2      GLN  27  -1.377  -1.017  -5.014
  212    HG3  GLN  27           HG3      GLN  27  -1.272   0.594  -4.319
  213   HE21  GLN  27          HE21      GLN  27  -3.339   1.306  -4.009
  214   HE22  GLN  27          HE22      GLN  27  -4.611   1.238  -5.247
  215    H    PHE  28           H        PHE  28   1.529   2.739  -5.330
  216    HA   PHE  28           HA       PHE  28   2.462   2.251  -2.603
  217    HB2  PHE  28           HB2      PHE  28   2.593   4.644  -4.396
  218    HB3  PHE  28           HB3      PHE  28   2.975   4.739  -2.675
  219    HD1  PHE  28           HD1      PHE  28   4.137   3.528  -5.933
  220    HD2  PHE  28           HD2      PHE  28   4.877   3.471  -1.679
  221    HE1  PHE  28           HE1      PHE  28   6.449   2.716  -6.342
  222    HE2  PHE  28           HE2      PHE  28   7.188   2.669  -2.099
  223    HZ   PHE  28           HZ       PHE  28   7.978   2.293  -4.426
  224    H    GLU  29           H        GLU  29  -0.494   3.545  -3.868
  225    HA   GLU  29           HA       GLU  29  -1.347   4.540  -1.193
  226    HB2  GLU  29           HB2      GLU  29  -2.686   4.625  -3.922
  227    HB3  GLU  29           HB3      GLU  29  -3.400   5.266  -2.449
  228    HG2  GLU  29           HG2      GLU  29  -0.802   6.236  -3.723
  229    HG3  GLU  29           HG3      GLU  29  -2.376   7.005  -3.876
  230    H    ARG  30           H        ARG  30  -3.300   3.781  -0.163
  231    HA   ARG  30           HA       ARG  30  -3.418   0.958  -0.045
  232    HB2  ARG  30           HB2      ARG  30  -4.085   2.693   1.742
  233    HB3  ARG  30           HB3      ARG  30  -5.655   2.734   0.942
  234    HG2  ARG  30           HG2      ARG  30  -5.197  -0.025   1.235
  235    HG3  ARG  30           HG3      ARG  30  -4.389   0.658   2.654
  236    HD2  ARG  30           HD2      ARG  30  -6.563   0.189   3.385
  237    HD3  ARG  30           HD3      ARG  30  -6.572   1.937   3.098
  238    HE   ARG  30           HE       ARG  30  -7.416   0.362   0.768
  239   HH11  ARG  30          HH11      ARG  30 -10.733   0.973   1.046
  240   HH12  ARG  30          HH12      ARG  30  -9.399   0.359   0.075
  241   HH21  ARG  30          HH21      ARG  30  -8.698   1.806   3.706
  242   HH22  ARG  30          HH22      ARG  30 -10.323   1.808   3.067
  243    HA   PRO  31           HA       PRO  31  -6.068   0.221  -3.616
  244    HB2  PRO  31           HB2      PRO  31  -6.282  -2.528  -2.415
  245    HB3  PRO  31           HB3      PRO  31  -5.922  -2.062  -4.102
  246    HG2  PRO  31           HG2      PRO  31  -3.952  -2.869  -2.415
  247    HG3  PRO  31           HG3      PRO  31  -3.677  -1.488  -3.525
  248    HD2  PRO  31           HD2      PRO  31  -4.381  -1.456  -0.583
  249    HD3  PRO  31           HD3      PRO  31  -3.184  -0.484  -1.496
  250    H    SER  32           H        SER  32  -8.267  -0.413  -4.157
  251    HA   SER  32           HA       SER  32 -10.226  -0.834  -2.011
  252    HB2  SER  32           HB2      SER  32 -11.602   1.096  -2.592
  253    HB3  SER  32           HB3      SER  32 -10.019   1.609  -1.998
  254    HG   SER  32           HG       SER  32  -9.389   2.057  -4.085
  255    H    GLY  33           H        GLY  33 -12.375  -1.306  -2.795
  256    HA2  GLY  33           HA2      GLY  33 -13.025  -1.808  -5.554
  257    HA3  GLY  33           HA3      GLY  33 -12.461  -3.288  -4.774
  258    H1'  ALL 101           H1       ALL  34  11.996   1.965  -0.486
  259    H2'  ALL 101           H2       ALL  34  13.717   4.127  -1.815
  260    H3'  ALL 101           H3       ALL  34  11.778   4.690  -3.180
  261    H4'  ALL 101           H4       ALL  34  13.270   3.035  -4.161
  262    H5'  ALL 101           H5       ALL  34  11.613   0.884  -2.772
  263   H6'1  ALL 101          H62       ALL  34  12.743   0.286  -5.024
  264   H6'2  ALL 101          H61       ALL  34  13.165  -0.717  -3.623
  265   HO'2  ALL 101          H2O       ALL  34  11.647   4.242   0.133
  266   HO'3  ALL 101          H3O       ALL  34  10.082   4.073  -1.834
  267   HO'4  ALL 101          H4O       ALL  34  10.483   2.573  -4.334
  268   HO'6  ALL 101          H6O       ALL  34  14.957   0.788  -3.298
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -10.963  -3.762   5.437
    2    H2   LYS   1           H2       LYS   1 -11.153  -5.090   6.377
    3    H3   LYS   1           H3       LYS   1 -11.875  -5.011   4.907
    4    HA   LYS   1           HA       LYS   1  -8.974  -5.073   5.381
    5    HB2  LYS   1           HB2      LYS   1 -10.140  -7.222   5.895
    6    HB3  LYS   1           HB3      LYS   1 -10.780  -7.256   4.258
    7    HG2  LYS   1           HG2      LYS   1  -8.921  -8.788   4.497
    8    HG3  LYS   1           HG3      LYS   1  -8.500  -7.537   3.347
    9    HD2  LYS   1           HD2      LYS   1  -7.187  -6.370   5.204
   10    HD3  LYS   1           HD3      LYS   1  -7.593  -7.738   6.259
   11    HE2  LYS   1           HE2      LYS   1  -6.492  -9.281   4.619
   12    HE3  LYS   1           HE3      LYS   1  -6.043  -7.886   3.627
   13    HZ1  LYS   1           HZ1      LYS   1  -5.145  -8.347   6.421
   14    HZ2  LYS   1           HZ2      LYS   1  -4.231  -8.569   5.083
   15    HZ3  LYS   1           HZ3      LYS   1  -4.711  -7.067   5.492
   16    H    LEU   2           H        LEU   2  -7.713  -5.414   3.410
   17    HA   LEU   2           HA       LEU   2  -8.203  -3.573   1.317
   18    HB2  LEU   2           HB2      LEU   2  -6.352  -5.960   1.699
   19    HB3  LEU   2           HB3      LEU   2  -6.264  -4.953   0.256
   20    HG   LEU   2           HG       LEU   2  -5.996  -3.718   3.012
   21   HD11  LEU   2          HD11      LEU   2  -3.565  -3.862   2.716
   22   HD12  LEU   2          HD12      LEU   2  -4.286  -5.478   2.783
   23   HD13  LEU   2          HD13      LEU   2  -3.789  -4.793   1.215
   24   HD21  LEU   2          HD21      LEU   2  -5.028  -2.893   0.234
   25   HD22  LEU   2          HD22      LEU   2  -6.435  -2.204   1.073
   26   HD23  LEU   2          HD23      LEU   2  -4.808  -1.974   1.739
   27    HA   PRO   3           HA       PRO   3 -10.615  -5.732  -1.688
   28    HB2  PRO   3           HB2      PRO   3  -8.818  -4.998  -3.936
   29    HB3  PRO   3           HB3      PRO   3 -10.507  -4.510  -3.629
   30    HG2  PRO   3           HG2      PRO   3  -8.391  -2.791  -3.331
   31    HG3  PRO   3           HG3      PRO   3  -9.857  -2.713  -2.289
   32    HD2  PRO   3           HD2      PRO   3  -7.185  -3.986  -1.688
   33    HD3  PRO   3           HD3      PRO   3  -8.199  -2.935  -0.657
   34    HA   PRO   4           HA       PRO   4  -9.442  -9.774  -2.625
   35    HB2  PRO   4           HB2      PRO   4  -9.857  -9.360  -5.596
   36    HB3  PRO   4           HB3      PRO   4 -10.398 -10.720  -4.559
   37    HG2  PRO   4           HG2      PRO   4 -12.135  -8.749  -5.173
   38    HG3  PRO   4           HG3      PRO   4 -12.033  -9.328  -3.476
   39    HD2  PRO   4           HD2      PRO   4 -10.779  -6.860  -4.702
   40    HD3  PRO   4           HD3      PRO   4 -11.639  -7.039  -3.140
   41    H    GLY   5           H        GLY   5  -7.525 -10.609  -2.398
   42    HA2  GLY   5           HA2      GLY   5  -5.439 -11.450  -2.914
   43    HA3  GLY   5           HA3      GLY   5  -5.451 -10.568  -4.451
   44    H    TRP   6           H        TRP   6  -6.027  -8.021  -2.567
   45    HA   TRP   6           HA       TRP   6  -3.234  -7.221  -2.508
   46    HB2  TRP   6           HB2      TRP   6  -5.767  -5.832  -1.673
   47    HB3  TRP   6           HB3      TRP   6  -4.162  -5.108  -1.509
   48    HD1  TRP   6           HD1      TRP   6  -6.841  -5.885  -4.032
   49    HE1  TRP   6           HE1      TRP   6  -6.261  -4.895  -6.329
   50    HE3  TRP   6           HE3      TRP   6  -1.984  -4.610  -3.119
   51    HZ2  TRP   6           HZ2      TRP   6  -3.902  -3.937  -7.670
   52    HZ3  TRP   6           HZ3      TRP   6  -0.552  -3.750  -4.966
   53    HH2  TRP   6           HH2      TRP   6  -1.494  -3.396  -7.231
   54    H    GLU   7           H        GLU   7  -1.834  -6.958  -0.898
   55    HA   GLU   7           HA       GLU   7  -2.679  -6.963   1.922
   56    HB2  GLU   7           HB2      GLU   7  -2.247  -9.352   1.301
   57    HB3  GLU   7           HB3      GLU   7  -0.613  -8.914   0.813
   58    HG2  GLU   7           HG2      GLU   7  -0.694  -9.982   3.032
   59    HG3  GLU   7           HG3      GLU   7  -0.023  -8.363   3.118
   60    H    LYS   8           H        LYS   8  -1.015  -6.090   3.358
   61    HA   LYS   8           HA       LYS   8   0.620  -4.011   2.152
   62    HB2  LYS   8           HB2      LYS   8   0.303  -5.021   4.983
   63    HB3  LYS   8           HB3      LYS   8   1.599  -3.894   4.553
   64    HG2  LYS   8           HG2      LYS   8  -0.033  -2.304   3.611
   65    HG3  LYS   8           HG3      LYS   8  -1.348  -3.417   4.001
   66    HD2  LYS   8           HD2      LYS   8  -1.320  -1.728   5.692
   67    HD3  LYS   8           HD3      LYS   8  -0.705  -3.211   6.442
   68    HE2  LYS   8           HE2      LYS   8   1.639  -2.371   6.110
   69    HE3  LYS   8           HE3      LYS   8   0.991  -0.911   5.354
   70    HZ1  LYS   8           HZ1      LYS   8   1.496  -0.554   7.704
   71    HZ2  LYS   8           HZ2      LYS   8  -0.109  -0.387   7.462
   72    HZ3  LYS   8           HZ3      LYS   8   0.476  -1.743   8.160
   73    H    ARG   9           H        ARG   9   2.706  -3.729   1.986
   74    HA   ARG   9           HA       ARG   9   4.651  -5.956   2.286
   75    HB2  ARG   9           HB2      ARG   9   3.402  -5.906  -0.021
   76    HB3  ARG   9           HB3      ARG   9   4.284  -4.419  -0.323
   77    HG2  ARG   9           HG2      ARG   9   5.403  -6.219  -1.415
   78    HG3  ARG   9           HG3      ARG   9   6.439  -5.731  -0.061
   79    HD2  ARG   9           HD2      ARG   9   5.566  -7.656   1.261
   80    HD3  ARG   9           HD3      ARG   9   4.532  -8.123  -0.101
   81    HE   ARG   9           HE       ARG   9   7.426  -8.519   0.199
   82   HH11  ARG   9          HH11      ARG   9   7.792 -10.127  -2.808
   83   HH12  ARG   9          HH12      ARG   9   8.529  -9.732  -1.281
   84   HH21  ARG   9          HH21      ARG   9   4.855  -8.486  -2.193
   85   HH22  ARG   9          HH22      ARG   9   5.774  -9.450  -3.312
   86    H    MET  10           H        MET  10   6.948  -5.125   1.922
   87    HA   MET  10           HA       MET  10   7.287  -2.222   2.209
   88    HB2  MET  10           HB2      MET  10   6.685  -3.071   4.509
   89    HB3  MET  10           HB3      MET  10   8.149  -4.076   4.461
   90    HG2  MET  10           HG2      MET  10   9.491  -1.945   4.160
   91    HG3  MET  10           HG3      MET  10   7.988  -1.043   4.315
   92    HE1  MET  10           HE1      MET  10  10.276  -3.225   7.680
   93    HE2  MET  10           HE2      MET  10   9.592  -4.136   6.319
   94    HE3  MET  10           HE3      MET  10  10.864  -2.927   6.030
   95    H    PHE  11           H        PHE  11   9.164  -1.494   1.556
   96    HA   PHE  11           HA       PHE  11  11.162  -3.209   0.355
   97    HB2  PHE  11           HB2      PHE  11  10.875  -0.222   0.666
   98    HB3  PHE  11           HB3      PHE  11  12.284  -0.971  -0.095
   99    HD1  PHE  11           HD1      PHE  11   9.000   0.317  -0.720
  100    HD2  PHE  11           HD2      PHE  11  11.844  -2.658  -2.043
  101    HE1  PHE  11           HE1      PHE  11   7.857   0.183  -2.909
  102    HE2  PHE  11           HE2      PHE  11  10.689  -2.775  -4.240
  103    HZ   PHE  11           HZ       PHE  11   8.697  -1.348  -4.676
  104    H    ALA  12           H        ALA  12  13.467  -3.138   0.714
  105    HA   ALA  12           HA       ALA  12  14.219  -3.668   3.400
  106    HB1  ALA  12           HB1      ALA  12  15.326  -4.602   1.401
  107    HB2  ALA  12           HB2      ALA  12  15.936  -2.985   0.972
  108    HB3  ALA  12           HB3      ALA  12  16.495  -3.787   2.455
  109    H    ASN  13           H        ASN  13  14.108  -0.615   1.714
  110    HA   ASN  13           HA       ASN  13  15.766   0.851   3.639
  111    HB2  ASN  13           HB2      ASN  13  15.138   2.817   2.292
  112    HB3  ASN  13           HB3      ASN  13  15.767   1.492   1.301
  113   HD21  ASN  13          HD21      ASN  13  14.771   2.536  -0.518
  114    H    GLY  14           H        GLY  14  12.687  -0.410   3.974
  115    HA2  GLY  14           HA2      GLY  14  11.258  -0.114   5.783
  116    HA3  GLY  14           HA3      GLY  14  12.014   1.439   6.175
  117    H    THR  15           H        THR  15  10.936   0.963   2.863
  118    HA   THR  15           HA       THR  15   8.734   2.930   3.262
  119    HB   THR  15           HB       THR  15   9.869   1.784   0.694
  120    HG1  THR  15           HG1      THR  15  11.369   2.959   1.653
  121   HG21  THR  15          HG21      THR  15   7.850   3.983   1.230
  122   HG22  THR  15          HG22      THR  15   8.776   3.876  -0.277
  123   HG23  THR  15          HG23      THR  15   7.702   2.550   0.173
  124    H    VAL  16           H        VAL  16   6.653   2.342   3.382
  125    HA   VAL  16           HA       VAL  16   5.889  -0.495   2.923
  126    HB   VAL  16           HB       VAL  16   4.552   1.843   4.331
  127   HG11  VAL  16          HG11      VAL  16   3.447  -0.977   3.981
  128   HG12  VAL  16          HG12      VAL  16   2.820   0.256   5.101
  129   HG13  VAL  16          HG13      VAL  16   2.720   0.527   3.366
  130   HG21  VAL  16          HG21      VAL  16   5.571  -0.845   5.352
  131   HG22  VAL  16          HG22      VAL  16   6.397   0.717   5.566
  132   HG23  VAL  16          HG23      VAL  16   4.825   0.430   6.331
  133    H    TYR  17           H        TYR  17   4.352  -1.147   1.546
  134    HA   TYR  17           HA       TYR  17   2.745   0.653  -0.118
  135    HB2  TYR  17           HB2      TYR  17   3.642  -0.070  -2.217
  136    HB3  TYR  17           HB3      TYR  17   4.958   0.564  -1.282
  137    HD1  TYR  17           HD1      TYR  17   6.581  -1.101  -0.130
  138    HD2  TYR  17           HD2      TYR  17   3.768  -2.225  -3.204
  139    HE1  TYR  17           HE1      TYR  17   7.999  -3.054  -0.725
  140    HE2  TYR  17           HE2      TYR  17   5.164  -4.211  -3.753
  141    HH   TYR  17           HH       TYR  17   8.338  -4.749  -2.210
  142    H    TYR  18           H        TYR  18   1.791  -1.154  -1.906
  143    HA   TYR  18           HA       TYR  18   0.737  -3.446  -0.302
  144    HB2  TYR  18           HB2      TYR  18  -0.785  -1.665  -2.241
  145    HB3  TYR  18           HB3      TYR  18  -1.430  -3.045  -1.339
  146    HD1  TYR  18           HD1      TYR  18  -0.235   0.454  -1.087
  147    HD2  TYR  18           HD2      TYR  18  -1.971  -2.871   1.042
  148    HE1  TYR  18           HE1      TYR  18  -0.710   1.946   0.831
  149    HE2  TYR  18           HE2      TYR  18  -2.496  -1.355   2.958
  150    HH   TYR  18           HH       TYR  18  -1.554   2.092   2.950
  151    H    PHE  19           H        PHE  19   0.407  -5.341  -1.356
  152    HA   PHE  19           HA       PHE  19   1.236  -5.605  -4.216
  153    HB2  PHE  19           HB2      PHE  19   3.199  -6.017  -2.885
  154    HB3  PHE  19           HB3      PHE  19   2.313  -7.157  -1.857
  155    HD1  PHE  19           HD1      PHE  19   3.431  -6.512  -5.336
  156    HD2  PHE  19           HD2      PHE  19   2.070  -9.502  -2.534
  157    HE1  PHE  19           HE1      PHE  19   3.929  -8.264  -6.981
  158    HE2  PHE  19           HE2      PHE  19   2.648 -11.278  -4.166
  159    HZ   PHE  19           HZ       PHE  19   3.576 -10.679  -6.395
  160    H    ASN  20           H        ASN  20   0.070  -6.992  -5.421
  161    HA   ASN  20           HA       ASN  20  -2.169  -8.403  -4.081
  162    HB2  ASN  20           HB2      ASN  20  -2.534  -6.789  -5.992
  163    HB3  ASN  20           HB3      ASN  20  -1.762  -7.980  -7.053
  164   HD21  ASN  20          HD21      ASN  20  -4.716  -6.915  -6.138
  165   HD22  ASN  20          HD22      ASN  20  -5.627  -8.416  -6.167
  166    H    HIS  21           H        HIS  21  -1.860 -10.477  -3.537
  167    HA   HIS  21           HA       HIS  21   0.377 -12.001  -4.575
  168    HB2  HIS  21           HB2      HIS  21  -0.029 -13.469  -2.891
  169    HB3  HIS  21           HB3      HIS  21  -0.741 -12.010  -2.207
  170    HD2  HIS  21           HD2      HIS  21  -3.317 -12.128  -1.563
  171    HE1  HIS  21           HE1      HIS  21  -4.105 -16.102  -2.885
  172    HE2  HIS  21           HE2      HIS  21  -5.029 -14.126  -1.573
  173    H    ILE  22           H        ILE  22  -2.936 -11.744  -5.599
  174    HA   ILE  22           HA       ILE  22  -3.016 -14.324  -7.010
  175    HB   ILE  22           HB       ILE  22  -4.952 -11.965  -6.970
  176   HG12  ILE  22          HG12      ILE  22  -4.972 -14.571  -5.361
  177   HG13  ILE  22          HG13      ILE  22  -4.627 -12.958  -4.716
  178   HG21  ILE  22          HG21      ILE  22  -6.615 -13.566  -7.845
  179   HG22  ILE  22          HG22      ILE  22  -5.272 -13.391  -8.956
  180   HG23  ILE  22          HG23      ILE  22  -5.367 -14.832  -7.917
  181   HD11  ILE  22          HD11      ILE  22  -6.826 -13.441  -4.076
  182   HD12  ILE  22          HD12      ILE  22  -6.958 -12.256  -5.391
  183   HD13  ILE  22          HD13      ILE  22  -7.297 -13.979  -5.698
  184    H    THR  23           H        THR  23  -2.732 -10.875  -7.777
  185    HA   THR  23           HA       THR  23  -2.434 -11.470 -10.665
  186    HB   THR  23           HB       THR  23  -3.301  -9.390 -11.179
  187    HG1  THR  23           HG1      THR  23  -3.822  -8.104  -9.107
  188   HG21  THR  23          HG21      THR  23  -4.866 -10.095  -8.654
  189   HG22  THR  23          HG22      THR  23  -5.436  -9.222 -10.089
  190   HG23  THR  23          HG23      THR  23  -5.039 -10.944 -10.207
  191    H    ASN  24           H        ASN  24  -0.373 -10.706  -8.173
  192    HA   ASN  24           HA       ASN  24   1.716 -10.017  -7.960
  193    HB2  ASN  24           HB2      ASN  24   2.004 -10.614 -10.920
  194    HB3  ASN  24           HB3      ASN  24   3.335 -10.355  -9.783
  195   HD21  ASN  24          HD21      ASN  24   1.608 -12.772 -11.272
  196   HD22  ASN  24          HD22      ASN  24   1.928 -14.045 -10.090
  197    H    ALA  25           H        ALA  25  -0.421  -8.001  -8.947
  198    HA   ALA  25           HA       ALA  25   1.123  -5.769  -9.971
  199    HB1  ALA  25           HB1      ALA  25  -1.598  -5.886  -8.598
  200    HB2  ALA  25           HB2      ALA  25  -0.940  -4.507  -9.507
  201    HB3  ALA  25           HB3      ALA  25  -1.307  -6.026 -10.345
  202    H    SER  26           H        SER  26   1.661  -3.826  -8.848
  203    HA   SER  26           HA       SER  26   1.693  -3.891  -5.883
  204    HB2  SER  26           HB2      SER  26   3.932  -2.925  -5.809
  205    HB3  SER  26           HB3      SER  26   3.923  -4.552  -6.497
  206    HG   SER  26           HG       SER  26   5.222  -3.129  -7.716
  207    H    GLN  27           H        GLN  27   1.558  -1.883  -4.855
  208    HA   GLN  27           HA       GLN  27   1.037   0.569  -6.411
  209    HB2  GLN  27           HB2      GLN  27  -1.017  -0.505  -6.788
  210    HB3  GLN  27           HB3      GLN  27  -1.068  -1.197  -5.168
  211    HG2  GLN  27           HG2      GLN  27  -2.777   0.505  -5.467
  212    HG3  GLN  27           HG3      GLN  27  -1.646   0.875  -4.179
  213   HE21  GLN  27          HE21      GLN  27  -2.383   3.050  -4.319
  214   HE22  GLN  27          HE22      GLN  27  -1.643   4.144  -5.500
  215    H    PHE  28           H        PHE  28   1.048   2.438  -5.197
  216    HA   PHE  28           HA       PHE  28   2.267   2.134  -2.537
  217    HB2  PHE  28           HB2      PHE  28   2.341   4.367  -4.523
  218    HB3  PHE  28           HB3      PHE  28   2.817   4.599  -2.838
  219    HD1  PHE  28           HD1      PHE  28   3.753   3.026  -6.027
  220    HD2  PHE  28           HD2      PHE  28   4.772   3.444  -1.853
  221    HE1  PHE  28           HE1      PHE  28   6.033   2.150  -6.491
  222    HE2  PHE  28           HE2      PHE  28   7.050   2.579  -2.325
  223    HZ   PHE  28           HZ       PHE  28   7.686   1.938  -4.647
  224    H    GLU  29           H        GLU  29  -0.330   4.311  -3.709
  225    HA   GLU  29           HA       GLU  29  -1.179   4.924  -0.974
  226    HB2  GLU  29           HB2      GLU  29  -2.752   5.352  -3.552
  227    HB3  GLU  29           HB3      GLU  29  -3.003   6.089  -1.985
  228    HG2  GLU  29           HG2      GLU  29  -1.974   7.794  -3.106
  229    HG3  GLU  29           HG3      GLU  29  -0.624   7.088  -2.227
  230    H    ARG  30           H        ARG  30  -3.273   4.302  -0.074
  231    HA   ARG  30           HA       ARG  30  -3.614   1.547   0.107
  232    HB2  ARG  30           HB2      ARG  30  -4.405   3.572   1.573
  233    HB3  ARG  30           HB3      ARG  30  -5.906   3.452   0.677
  234    HG2  ARG  30           HG2      ARG  30  -4.578   1.282   2.360
  235    HG3  ARG  30           HG3      ARG  30  -5.934   2.298   2.856
  236    HD2  ARG  30           HD2      ARG  30  -5.950   0.148   0.710
  237    HD3  ARG  30           HD3      ARG  30  -6.672   0.037   2.305
  238    HE   ARG  30           HE       ARG  30  -7.829   1.176  -0.063
  239   HH11  ARG  30          HH11      ARG  30  -9.896   2.029  -0.023
  240   HH12  ARG  30          HH12      ARG  30 -10.593   2.503   1.499
  241   HH21  ARG  30          HH21      ARG  30  -7.924   1.590   3.426
  242   HH22  ARG  30          HH22      ARG  30  -9.532   2.262   3.384
  243    HA   PRO  31           HA       PRO  31  -5.573   0.688  -3.867
  244    HB2  PRO  31           HB2      PRO  31  -6.186  -1.907  -2.430
  245    HB3  PRO  31           HB3      PRO  31  -5.650  -1.666  -4.125
  246    HG2  PRO  31           HG2      PRO  31  -3.856  -2.367  -2.230
  247    HG3  PRO  31           HG3      PRO  31  -3.439  -1.071  -3.400
  248    HD2  PRO  31           HD2      PRO  31  -4.365  -0.797  -0.537
  249    HD3  PRO  31           HD3      PRO  31  -3.112   0.112  -1.421
  250    H    SER  32           H        SER  32  -7.606   0.917  -4.717
  251    HA   SER  32           HA       SER  32  -9.714   1.767  -4.750
  252    HB2  SER  32           HB2      SER  32 -10.254  -0.527  -2.842
  253    HB3  SER  32           HB3      SER  32 -11.492   0.428  -3.674
  254    HG   SER  32           HG       SER  32 -11.010  -1.441  -4.854
  255    H    GLY  33           H        GLY  33  -8.400   3.534  -3.501
  256    HA2  GLY  33           HA2      GLY  33 -10.195   4.848  -1.669
  257    HA3  GLY  33           HA3      GLY  33  -8.792   4.204  -0.809
  258    H1'  ALL 101           H1       ALL  34  11.868   1.903  -0.741
  259    H2'  ALL 101           H2       ALL  34  13.475   4.066  -2.210
  260    H3'  ALL 101           H3       ALL  34  11.365   4.604  -3.359
  261    H4'  ALL 101           H4       ALL  34  12.829   3.013  -4.476
  262    H5'  ALL 101           H5       ALL  34  11.368   0.794  -2.973
  263   H6'1  ALL 101          H62       ALL  34  12.294   0.181  -5.274
  264   H6'2  ALL 101          H61       ALL  34  12.960  -0.745  -3.914
  265   HO'2  ALL 101          H2O       ALL  34  11.388   4.277  -0.249
  266   HO'3  ALL 101          H3O       ALL  34   9.670   2.955  -3.126
  267   HO'4  ALL 101          H4O       ALL  34  11.229   2.113  -5.763
  268   HO'6  ALL 101          H6O       ALL  34  14.688   0.834  -3.857
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -10.368  -7.365   6.198
    2    H2   LYS   1           H2       LYS   1  -9.680  -8.256   5.006
    3    H3   LYS   1           H3       LYS   1 -10.879  -7.198   4.652
    4    HA   LYS   1           HA       LYS   1  -9.514  -5.324   5.251
    5    HB2  LYS   1           HB2      LYS   1  -8.192  -6.643   6.975
    6    HB3  LYS   1           HB3      LYS   1  -7.296  -7.373   5.644
    7    HG2  LYS   1           HG2      LYS   1  -6.699  -4.921   4.953
    8    HG3  LYS   1           HG3      LYS   1  -7.372  -4.458   6.515
    9    HD2  LYS   1           HD2      LYS   1  -5.031  -4.629   6.834
   10    HD3  LYS   1           HD3      LYS   1  -5.692  -6.098   7.572
   11    HE2  LYS   1           HE2      LYS   1  -5.145  -7.362   5.475
   12    HE3  LYS   1           HE3      LYS   1  -4.530  -5.872   4.751
   13    HZ1  LYS   1           HZ1      LYS   1  -2.855  -5.815   6.551
   14    HZ2  LYS   1           HZ2      LYS   1  -3.370  -7.275   7.089
   15    HZ3  LYS   1           HZ3      LYS   1  -2.715  -7.128   5.588
   16    H    LEU   2           H        LEU   2  -8.901  -4.274   3.462
   17    HA   LEU   2           HA       LEU   2  -8.400  -3.743   1.359
   18    HB2  LEU   2           HB2      LEU   2  -6.457  -6.040   1.734
   19    HB3  LEU   2           HB3      LEU   2  -6.477  -5.088   0.260
   20    HG   LEU   2           HG       LEU   2  -6.123  -3.789   2.981
   21   HD11  LEU   2          HD11      LEU   2  -4.322  -5.447   2.586
   22   HD12  LEU   2          HD12      LEU   2  -3.973  -4.686   1.020
   23   HD13  LEU   2          HD13      LEU   2  -3.721  -3.783   2.533
   24   HD21  LEU   2          HD21      LEU   2  -5.488  -2.905   0.131
   25   HD22  LEU   2          HD22      LEU   2  -6.774  -2.244   1.167
   26   HD23  LEU   2          HD23      LEU   2  -5.080  -1.999   1.604
   27    HA   PRO   3           HA       PRO   3 -10.771  -5.948  -1.664
   28    HB2  PRO   3           HB2      PRO   3  -8.896  -5.276  -3.868
   29    HB3  PRO   3           HB3      PRO   3 -10.605  -4.803  -3.650
   30    HG2  PRO   3           HG2      PRO   3  -8.535  -3.039  -3.335
   31    HG3  PRO   3           HG3      PRO   3 -10.031  -2.953  -2.335
   32    HD2  PRO   3           HD2      PRO   3  -7.360  -4.165  -1.623
   33    HD3  PRO   3           HD3      PRO   3  -8.419  -3.094  -0.652
   34    HA   PRO   4           HA       PRO   4  -9.425 -10.008  -2.363
   35    HB2  PRO   4           HB2      PRO   4  -9.929  -9.776  -5.339
   36    HB3  PRO   4           HB3      PRO   4 -10.404 -11.087  -4.212
   37    HG2  PRO   4           HG2      PRO   4 -12.214  -9.211  -4.909
   38    HG3  PRO   4           HG3      PRO   4 -12.067  -9.689  -3.184
   39    HD2  PRO   4           HD2      PRO   4 -10.909  -7.257  -4.570
   40    HD3  PRO   4           HD3      PRO   4 -11.749  -7.372  -2.992
   41    H    GLY   5           H        GLY   5  -7.461 -10.774  -2.184
   42    HA2  GLY   5           HA2      GLY   5  -5.365 -11.551  -2.766
   43    HA3  GLY   5           HA3      GLY   5  -5.467 -10.698  -4.316
   44    H    TRP   6           H        TRP   6  -6.064  -8.131  -2.480
   45    HA   TRP   6           HA       TRP   6  -3.291  -7.249  -2.502
   46    HB2  TRP   6           HB2      TRP   6  -5.857  -5.909  -1.701
   47    HB3  TRP   6           HB3      TRP   6  -4.274  -5.143  -1.522
   48    HD1  TRP   6           HD1      TRP   6  -6.868  -6.059  -4.101
   49    HE1  TRP   6           HE1      TRP   6  -6.311  -4.984  -6.367
   50    HE3  TRP   6           HE3      TRP   6  -2.136  -4.425  -3.064
   51    HZ2  TRP   6           HZ2      TRP   6  -4.062  -3.663  -7.596
   52    HZ3  TRP   6           HZ3      TRP   6  -0.815  -3.217  -4.807
   53    HH2  TRP   6           HH2      TRP   6  -1.753  -2.863  -7.069
   54    H    GLU   7           H        GLU   7  -1.880  -6.888  -0.927
   55    HA   GLU   7           HA       GLU   7  -2.606  -6.919   1.922
   56    HB2  GLU   7           HB2      GLU   7  -2.296  -9.247   1.578
   57    HB3  GLU   7           HB3      GLU   7  -0.907  -8.997   0.538
   58    HG2  GLU   7           HG2      GLU   7  -0.269 -10.000   2.629
   59    HG3  GLU   7           HG3      GLU   7   0.512  -8.453   2.390
   60    H    LYS   8           H        LYS   8  -0.992  -6.010   3.286
   61    HA   LYS   8           HA       LYS   8   0.648  -3.948   2.032
   62    HB2  LYS   8           HB2      LYS   8   0.202  -4.789   4.901
   63    HB3  LYS   8           HB3      LYS   8   1.505  -3.670   4.466
   64    HG2  LYS   8           HG2      LYS   8  -0.088  -2.160   3.358
   65    HG3  LYS   8           HG3      LYS   8  -1.411  -3.272   3.715
   66    HD2  LYS   8           HD2      LYS   8  -1.508  -1.484   5.306
   67    HD3  LYS   8           HD3      LYS   8  -0.967  -2.928   6.175
   68    HE2  LYS   8           HE2      LYS   8   1.397  -2.119   6.005
   69    HE3  LYS   8           HE3      LYS   8   0.837  -0.700   5.113
   70    HZ1  LYS   8           HZ1      LYS   8  -0.435  -0.045   7.082
   71    HZ2  LYS   8           HZ2      LYS   8   0.072  -1.363   7.907
   72    HZ3  LYS   8           HZ3      LYS   8   1.141  -0.209   7.472
   73    H    ARG   9           H        ARG   9   2.750  -3.658   1.948
   74    HA   ARG   9           HA       ARG   9   4.678  -5.882   2.420
   75    HB2  ARG   9           HB2      ARG   9   3.451  -5.576  -0.055
   76    HB3  ARG   9           HB3      ARG   9   4.771  -4.441  -0.213
   77    HG2  ARG   9           HG2      ARG   9   5.718  -6.349  -1.067
   78    HG3  ARG   9           HG3      ARG   9   6.262  -6.490   0.614
   79    HD2  ARG   9           HD2      ARG   9   3.973  -7.944  -0.780
   80    HD3  ARG   9           HD3      ARG   9   5.487  -8.639  -0.182
   81    HE   ARG   9           HE       ARG   9   3.352  -7.474   1.598
   82   HH11  ARG   9          HH11      ARG   9   5.540 -10.176   1.049
   83   HH12  ARG   9          HH12      ARG   9   5.057 -10.933   2.546
   84   HH21  ARG   9          HH21      ARG   9   2.867  -8.415   3.414
   85   HH22  ARG   9          HH22      ARG   9   3.557  -9.966   3.861
   86    H    MET  10           H        MET  10   6.978  -5.083   1.987
   87    HA   MET  10           HA       MET  10   7.362  -2.200   2.378
   88    HB2  MET  10           HB2      MET  10   6.750  -3.062   4.638
   89    HB3  MET  10           HB3      MET  10   8.131  -4.176   4.557
   90    HG2  MET  10           HG2      MET  10   9.615  -2.125   4.290
   91    HG3  MET  10           HG3      MET  10   8.202  -1.135   4.638
   92    HE1  MET  10           HE1      MET  10   7.135  -0.880   7.076
   93    HE2  MET  10           HE2      MET  10   6.672  -2.596   6.954
   94    HE3  MET  10           HE3      MET  10   7.494  -1.995   8.408
   95    H    PHE  11           H        PHE  11   9.227  -1.488   1.691
   96    HA   PHE  11           HA       PHE  11  11.204  -3.184   0.438
   97    HB2  PHE  11           HB2      PHE  11  10.930  -0.205   0.820
   98    HB3  PHE  11           HB3      PHE  11  12.340  -0.934   0.047
   99    HD1  PHE  11           HD1      PHE  11   9.058   0.366  -0.556
  100    HD2  PHE  11           HD2      PHE  11  11.914  -2.566  -1.946
  101    HE1  PHE  11           HE1      PHE  11   7.925   0.289  -2.755
  102    HE2  PHE  11           HE2      PHE  11  10.772  -2.623  -4.152
  103    HZ   PHE  11           HZ       PHE  11   8.779  -1.188  -4.559
  104    H    ALA  12           H        ALA  12  13.521  -3.119   0.770
  105    HA   ALA  12           HA       ALA  12  14.312  -3.715   3.429
  106    HB1  ALA  12           HB1      ALA  12  16.578  -3.783   2.454
  107    HB2  ALA  12           HB2      ALA  12  15.403  -4.579   1.390
  108    HB3  ALA  12           HB3      ALA  12  15.992  -2.943   1.002
  109    H    ASN  13           H        ASN  13  14.151  -0.613   1.835
  110    HA   ASN  13           HA       ASN  13  15.819   0.803   3.794
  111    HB2  ASN  13           HB2      ASN  13  15.198   2.802   2.494
  112    HB3  ASN  13           HB3      ASN  13  15.824   1.501   1.471
  113   HD21  ASN  13          HD21      ASN  13  14.835   2.584  -0.325
  114    H    GLY  14           H        GLY  14  12.740  -0.463   4.095
  115    HA2  GLY  14           HA2      GLY  14  11.311  -0.210   5.912
  116    HA3  GLY  14           HA3      GLY  14  12.065   1.336   6.338
  117    H    THR  15           H        THR  15  10.994   0.957   3.017
  118    HA   THR  15           HA       THR  15   8.789   2.909   3.467
  119    HB   THR  15           HB       THR  15   9.944   1.828   0.877
  120    HG1  THR  15           HG1      THR  15  11.435   2.987   1.867
  121   HG21  THR  15          HG21      THR  15   8.852   3.936  -0.057
  122   HG22  THR  15          HG22      THR  15   7.780   2.593   0.359
  123   HG23  THR  15          HG23      THR  15   7.913   4.006   1.446
  124    H    VAL  16           H        VAL  16   6.661   2.401   3.356
  125    HA   VAL  16           HA       VAL  16   5.894  -0.442   2.953
  126    HB   VAL  16           HB       VAL  16   4.476   1.966   4.149
  127   HG11  VAL  16          HG11      VAL  16   2.710   0.612   3.117
  128   HG12  VAL  16          HG12      VAL  16   3.380  -0.864   3.853
  129   HG13  VAL  16          HG13      VAL  16   2.683   0.423   4.865
  130   HG21  VAL  16          HG21      VAL  16   5.415  -0.673   5.352
  131   HG22  VAL  16          HG22      VAL  16   6.218   0.903   5.565
  132   HG23  VAL  16          HG23      VAL  16   4.596   0.637   6.226
  133    H    TYR  17           H        TYR  17   4.432  -1.137   1.504
  134    HA   TYR  17           HA       TYR  17   2.931   0.641  -0.269
  135    HB2  TYR  17           HB2      TYR  17   3.791  -0.249  -2.334
  136    HB3  TYR  17           HB3      TYR  17   5.097   0.461  -1.435
  137    HD1  TYR  17           HD1      TYR  17   6.717  -1.104  -0.143
  138    HD2  TYR  17           HD2      TYR  17   3.966  -2.464  -3.185
  139    HE1  TYR  17           HE1      TYR  17   8.158  -3.091  -0.584
  140    HE2  TYR  17           HE2      TYR  17   5.404  -4.439  -3.606
  141    HH   TYR  17           HH       TYR  17   7.390  -5.470  -3.123
  142    H    TYR  18           H        TYR  18   1.815  -1.043  -1.963
  143    HA   TYR  18           HA       TYR  18   0.693  -3.315  -0.375
  144    HB2  TYR  18           HB2      TYR  18  -0.747  -1.467  -2.310
  145    HB3  TYR  18           HB3      TYR  18  -1.445  -2.848  -1.454
  146    HD1  TYR  18           HD1      TYR  18  -2.157  -2.682   0.853
  147    HD2  TYR  18           HD2      TYR  18  -0.082   0.584  -1.051
  148    HE1  TYR  18           HE1      TYR  18  -2.744  -1.183   2.763
  149    HE2  TYR  18           HE2      TYR  18  -0.611   2.058   0.870
  150    HH   TYR  18           HH       TYR  18  -1.638   2.214   2.906
  151    H    PHE  19           H        PHE  19   0.300  -5.207  -1.433
  152    HA   PHE  19           HA       PHE  19   1.117  -5.493  -4.290
  153    HB2  PHE  19           HB2      PHE  19   3.083  -5.918  -2.919
  154    HB3  PHE  19           HB3      PHE  19   2.163  -7.057  -1.918
  155    HD1  PHE  19           HD1      PHE  19   3.215  -6.401  -5.433
  156    HD2  PHE  19           HD2      PHE  19   2.090  -9.400  -2.542
  157    HE1  PHE  19           HE1      PHE  19   3.731  -8.156  -7.074
  158    HE2  PHE  19           HE2      PHE  19   2.679 -11.176  -4.172
  159    HZ   PHE  19           HZ       PHE  19   3.492 -10.573  -6.445
  160    H    ASN  20           H        ASN  20  -0.071  -6.916  -5.465
  161    HA   ASN  20           HA       ASN  20  -2.224  -8.399  -4.048
  162    HB2  ASN  20           HB2      ASN  20  -2.758  -6.801  -5.932
  163    HB3  ASN  20           HB3      ASN  20  -1.966  -7.949  -7.030
  164   HD21  ASN  20          HD21      ASN  20  -5.751  -8.634  -5.869
  165   HD22  ASN  20          HD22      ASN  20  -4.929  -7.081  -5.767
  166    H    HIS  21           H        HIS  21  -1.849 -10.473  -3.555
  167    HA   HIS  21           HA       HIS  21   0.430 -11.888  -4.655
  168    HB2  HIS  21           HB2      HIS  21   0.109 -13.411  -2.993
  169    HB3  HIS  21           HB3      HIS  21  -0.614 -11.978  -2.266
  170    HD2  HIS  21           HD2      HIS  21  -3.171 -12.164  -1.555
  171    HE1  HIS  21           HE1      HIS  21  -3.893 -16.145  -2.894
  172    HE2  HIS  21           HE2      HIS  21  -4.830 -14.208  -1.536
  173    H    ILE  22           H        ILE  22  -2.906 -11.764  -5.618
  174    HA   ILE  22           HA       ILE  22  -2.915 -14.344  -7.025
  175    HB   ILE  22           HB       ILE  22  -4.942 -12.066  -6.966
  176   HG12  ILE  22          HG12      ILE  22  -4.833 -14.637  -5.311
  177   HG13  ILE  22          HG13      ILE  22  -4.527 -13.001  -4.700
  178   HG21  ILE  22          HG21      ILE  22  -5.240 -13.542  -8.917
  179   HG22  ILE  22          HG22      ILE  22  -5.260 -14.964  -7.848
  180   HG23  ILE  22          HG23      ILE  22  -6.555 -13.746  -7.777
  181   HD11  ILE  22          HD11      ILE  22  -6.693 -13.550  -4.003
  182   HD12  ILE  22          HD12      ILE  22  -6.890 -12.384  -5.328
  183   HD13  ILE  22          HD13      ILE  22  -7.184 -14.119  -5.608
  184    H    THR  23           H        THR  23  -2.780 -10.889  -7.804
  185    HA   THR  23           HA       THR  23  -2.498 -11.474 -10.699
  186    HB   THR  23           HB       THR  23  -3.457  -9.406 -11.181
  187    HG1  THR  23           HG1      THR  23  -4.059  -8.166  -9.140
  188   HG21  THR  23          HG21      THR  23  -5.103 -11.095 -10.278
  189   HG22  THR  23          HG22      THR  23  -4.996 -10.289  -8.698
  190   HG23  THR  23          HG23      THR  23  -5.608  -9.406 -10.110
  191    H    ASN  24           H        ASN  24  -0.445 -10.627  -8.230
  192    HA   ASN  24           HA       ASN  24   1.607  -9.827  -8.040
  193    HB2  ASN  24           HB2      ASN  24   1.881 -10.356 -11.015
  194    HB3  ASN  24           HB3      ASN  24   3.211 -10.059  -9.886
  195   HD21  ASN  24          HD21      ASN  24   1.586 -12.521 -11.412
  196   HD22  ASN  24          HD22      ASN  24   1.980 -13.804 -10.262
  197    H    ALA  25           H        ALA  25  -0.650  -7.913  -8.926
  198    HA   ALA  25           HA       ALA  25   0.703  -5.590  -9.987
  199    HB1  ALA  25           HB1      ALA  25  -1.741  -5.957 -10.152
  200    HB2  ALA  25           HB2      ALA  25  -1.880  -5.843  -8.384
  201    HB3  ALA  25           HB3      ALA  25  -1.364  -4.431  -9.329
  202    H    SER  26           H        SER  26   1.308  -3.669  -8.877
  203    HA   SER  26           HA       SER  26   1.577  -3.750  -5.931
  204    HB2  SER  26           HB2      SER  26   3.899  -2.913  -6.048
  205    HB3  SER  26           HB3      SER  26   3.714  -4.569  -6.621
  206    HG   SER  26           HG       SER  26   3.861  -2.255  -8.281
  207    H    GLN  27           H        GLN  27   1.458  -1.761  -4.914
  208    HA   GLN  27           HA       GLN  27   1.343   0.742  -6.472
  209    HB2  GLN  27           HB2      GLN  27  -0.858  -0.281  -6.852
  210    HB3  GLN  27           HB3      GLN  27  -1.076  -0.508  -5.117
  211    HG2  GLN  27           HG2      GLN  27  -2.403   1.352  -5.927
  212    HG3  GLN  27           HG3      GLN  27  -1.197   1.896  -4.773
  213   HE21  GLN  27          HE21      GLN  27  -1.796   1.681  -8.332
  214   HE22  GLN  27          HE22      GLN  27  -0.751   3.054  -8.709
  215    H    PHE  28           H        PHE  28   1.451   2.612  -5.206
  216    HA   PHE  28           HA       PHE  28   2.424   2.215  -2.442
  217    HB2  PHE  28           HB2      PHE  28   2.596   4.538  -4.347
  218    HB3  PHE  28           HB3      PHE  28   2.985   4.681  -2.631
  219    HD1  PHE  28           HD1      PHE  28   4.892   3.449  -1.615
  220    HD2  PHE  28           HD2      PHE  28   4.121   3.369  -5.859
  221    HE1  PHE  28           HE1      PHE  28   7.210   2.658  -2.025
  222    HE2  PHE  28           HE2      PHE  28   6.439   2.567  -6.263
  223    HZ   PHE  28           HZ       PHE  28   7.988   2.221  -4.351
  224    H    GLU  29           H        GLU  29  -0.242   3.908  -3.994
  225    HA   GLU  29           HA       GLU  29  -1.398   4.872  -1.491
  226    HB2  GLU  29           HB2      GLU  29  -1.795   6.139  -3.469
  227    HB3  GLU  29           HB3      GLU  29  -2.277   4.719  -4.380
  228    HG2  GLU  29           HG2      GLU  29  -4.154   6.149  -3.991
  229    HG3  GLU  29           HG3      GLU  29  -4.395   4.588  -3.234
  230    H    ARG  30           H        ARG  30  -3.370   4.099  -0.510
  231    HA   ARG  30           HA       ARG  30  -3.509   1.255  -0.221
  232    HB2  ARG  30           HB2      ARG  30  -4.314   3.078   1.418
  233    HB3  ARG  30           HB3      ARG  30  -5.787   3.135   0.452
  234    HG2  ARG  30           HG2      ARG  30  -5.440   0.377   0.914
  235    HG3  ARG  30           HG3      ARG  30  -4.807   1.114   2.390
  236    HD2  ARG  30           HD2      ARG  30  -7.043   0.742   2.887
  237    HD3  ARG  30           HD3      ARG  30  -7.032   2.458   2.446
  238    HE   ARG  30           HE       ARG  30  -7.562   0.882   0.103
  239   HH11  ARG  30          HH11      ARG  30  -9.287   1.743   3.052
  240   HH12  ARG  30          HH12      ARG  30 -10.828   1.372   2.308
  241   HH21  ARG  30          HH21      ARG  30  -9.465   0.414  -0.686
  242   HH22  ARG  30          HH22      ARG  30 -10.951   0.650   0.236
  243    HA   PRO  31           HA       PRO  31  -5.650   0.273  -4.052
  244    HB2  PRO  31           HB2      PRO  31  -6.427  -2.144  -2.402
  245    HB3  PRO  31           HB3      PRO  31  -5.927  -2.081  -4.125
  246    HG2  PRO  31           HG2      PRO  31  -4.135  -2.762  -2.218
  247    HG3  PRO  31           HG3      PRO  31  -3.657  -1.601  -3.506
  248    HD2  PRO  31           HD2      PRO  31  -4.445  -1.042  -0.649
  249    HD3  PRO  31           HD3      PRO  31  -3.172  -0.300  -1.657
  250    H    SER  32           H        SER  32  -7.670   0.605  -4.896
  251    HA   SER  32           HA       SER  32  -9.563   1.931  -3.227
  252    HB2  SER  32           HB2      SER  32  -9.116   2.549  -5.560
  253    HB3  SER  32           HB3      SER  32  -9.848   1.029  -6.112
  254    HG   SER  32           HG       SER  32 -11.309   2.813  -6.150
  255    H    GLY  33           H        GLY  33 -11.446   1.373  -2.332
  256    HA2  GLY  33           HA2      GLY  33 -13.221  -0.744  -2.931
  257    HA3  GLY  33           HA3      GLY  33 -12.070  -1.363  -1.743
  258    H1'  ALL 101           H1       ALL  34  11.925   1.978  -0.562
  259    H2'  ALL 101           H2       ALL  34  13.550   4.166  -1.974
  260    H3'  ALL 101           H3       ALL  34  11.444   4.748  -3.111
  261    H4'  ALL 101           H4       ALL  34  12.892   3.172  -4.269
  262    H5'  ALL 101           H5       ALL  34  11.414   0.930  -2.816
  263   H6'1  ALL 101          H62       ALL  34  12.328   0.364  -5.133
  264   H6'2  ALL 101          H61       ALL  34  12.995  -0.599  -3.799
  265   HO'2  ALL 101          H2O       ALL  34  11.459   4.344  -0.016
  266   HO'3  ALL 101          H3O       ALL  34   9.731   3.120  -2.917
  267   HO'4  ALL 101          H4O       ALL  34  11.283   2.323  -5.576
  268   HO'6  ALL 101          H6O       ALL  34  14.732   0.967  -3.713
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1 -12.033  -3.158   5.288
    2    H2   LYS   1           H2       LYS   1 -11.538  -4.671   4.878
    3    H3   LYS   1           H3       LYS   1 -12.121  -3.650   3.728
    4    HA   LYS   1           HA       LYS   1 -10.299  -2.175   3.949
    5    HB2  LYS   1           HB2      LYS   1  -9.352  -4.094   6.104
    6    HB3  LYS   1           HB3      LYS   1  -8.293  -2.947   5.271
    7    HG2  LYS   1           HG2      LYS   1  -9.730  -1.056   6.018
    8    HG3  LYS   1           HG3      LYS   1 -10.767  -2.197   6.885
    9    HD2  LYS   1           HD2      LYS   1  -9.266  -1.169   8.461
   10    HD3  LYS   1           HD3      LYS   1  -8.830  -2.875   8.298
   11    HE2  LYS   1           HE2      LYS   1  -6.964  -2.248   6.766
   12    HE3  LYS   1           HE3      LYS   1  -7.432  -0.547   6.894
   13    HZ1  LYS   1           HZ1      LYS   1  -6.515  -2.234   9.161
   14    HZ2  LYS   1           HZ2      LYS   1  -5.624  -1.085   8.419
   15    HZ3  LYS   1           HZ3      LYS   1  -6.944  -0.661   9.278
   16    H    LEU   2           H        LEU   2  -9.186  -2.304   2.222
   17    HA   LEU   2           HA       LEU   2  -8.185  -2.905   0.365
   18    HB2  LEU   2           HB2      LEU   2  -7.136  -5.215   2.007
   19    HB3  LEU   2           HB3      LEU   2  -6.751  -4.998   0.305
   20    HG   LEU   2           HG       LEU   2  -5.731  -2.800   0.767
   21   HD11  LEU   2          HD11      LEU   2  -6.106  -3.481   3.706
   22   HD12  LEU   2          HD12      LEU   2  -5.017  -2.230   3.049
   23   HD13  LEU   2          HD13      LEU   2  -6.765  -2.068   2.840
   24   HD21  LEU   2          HD21      LEU   2  -3.725  -3.762   1.923
   25   HD22  LEU   2          HD22      LEU   2  -4.689  -5.186   2.344
   26   HD23  LEU   2          HD23      LEU   2  -4.362  -4.799   0.640
   27    HA   PRO   3           HA       PRO   3 -10.964  -5.659  -1.830
   28    HB2  PRO   3           HB2      PRO   3  -9.983  -5.424  -4.371
   29    HB3  PRO   3           HB3      PRO   3 -10.850  -4.105  -3.529
   30    HG2  PRO   3           HG2      PRO   3  -7.890  -4.456  -3.928
   31    HG3  PRO   3           HG3      PRO   3  -8.854  -2.962  -4.011
   32    HD2  PRO   3           HD2      PRO   3  -7.364  -3.860  -1.785
   33    HD3  PRO   3           HD3      PRO   3  -8.685  -2.654  -1.722
   34    HA   PRO   4           HA       PRO   4  -9.321  -9.673  -1.954
   35    HB2  PRO   4           HB2      PRO   4 -10.162 -10.005  -4.840
   36    HB3  PRO   4           HB3      PRO   4 -10.409 -11.121  -3.457
   37    HG2  PRO   4           HG2      PRO   4 -12.431  -9.518  -4.251
   38    HG3  PRO   4           HG3      PRO   4 -12.067  -9.670  -2.498
   39    HD2  PRO   4           HD2      PRO   4 -11.257  -7.461  -4.406
   40    HD3  PRO   4           HD3      PRO   4 -11.929  -7.339  -2.749
   41    H    GLY   5           H        GLY   5  -7.435 -10.707  -2.167
   42    HA2  GLY   5           HA2      GLY   5  -5.413 -11.445  -3.026
   43    HA3  GLY   5           HA3      GLY   5  -5.650 -10.453  -4.476
   44    H    TRP   6           H        TRP   6  -6.044  -7.977  -2.652
   45    HA   TRP   6           HA       TRP   6  -3.232  -7.221  -2.591
   46    HB2  TRP   6           HB2      TRP   6  -5.751  -5.718  -1.874
   47    HB3  TRP   6           HB3      TRP   6  -4.121  -5.044  -1.778
   48    HD1  TRP   6           HD1      TRP   6  -6.625  -6.329  -4.364
   49    HE1  TRP   6           HE1      TRP   6  -6.136  -5.255  -6.644
   50    HE3  TRP   6           HE3      TRP   6  -2.163  -4.063  -3.260
   51    HZ2  TRP   6           HZ2      TRP   6  -3.918  -3.966  -7.922
   52    HZ3  TRP   6           HZ3      TRP   6  -0.890  -2.889  -5.049
   53    HH2  TRP   6           HH2      TRP   6  -1.725  -2.875  -7.384
   54    H    GLU   7           H        GLU   7  -1.884  -6.881  -0.937
   55    HA   GLU   7           HA       GLU   7  -2.793  -6.728   1.850
   56    HB2  GLU   7           HB2      GLU   7  -2.617  -9.105   1.618
   57    HB3  GLU   7           HB3      GLU   7  -1.113  -8.983   0.727
   58    HG2  GLU   7           HG2      GLU   7  -0.755  -9.920   2.907
   59    HG3  GLU   7           HG3      GLU   7   0.124  -8.418   2.714
   60    H    LYS   8           H        LYS   8  -1.163  -5.936   3.298
   61    HA   LYS   8           HA       LYS   8   0.577  -3.929   2.233
   62    HB2  LYS   8           HB2      LYS   8   0.221  -5.116   4.986
   63    HB3  LYS   8           HB3      LYS   8   1.588  -4.047   4.644
   64    HG2  LYS   8           HG2      LYS   8   0.055  -2.300   3.796
   65    HG3  LYS   8           HG3      LYS   8  -1.327  -3.346   4.147
   66    HD2  LYS   8           HD2      LYS   8  -1.138  -1.736   5.919
   67    HD3  LYS   8           HD3      LYS   8  -0.663  -3.309   6.579
   68    HE2  LYS   8           HE2      LYS   8   1.740  -2.685   6.301
   69    HE3  LYS   8           HE3      LYS   8   1.257  -1.135   5.607
   70    HZ1  LYS   8           HZ1      LYS   8   0.635  -2.029   8.371
   71    HZ2  LYS   8           HZ2      LYS   8   1.775  -0.934   7.969
   72    HZ3  LYS   8           HZ3      LYS   8   0.198  -0.589   7.731
   73    H    ARG   9           H        ARG   9   2.674  -3.651   2.054
   74    HA   ARG   9           HA       ARG   9   4.605  -5.877   2.324
   75    HB2  ARG   9           HB2      ARG   9   3.307  -5.625  -0.047
   76    HB3  ARG   9           HB3      ARG   9   4.453  -4.331  -0.285
   77    HG2  ARG   9           HG2      ARG   9   5.126  -6.468  -1.299
   78    HG3  ARG   9           HG3      ARG   9   6.324  -5.903  -0.121
   79    HD2  ARG   9           HD2      ARG   9   5.810  -8.397  -0.113
   80    HD3  ARG   9           HD3      ARG   9   5.772  -7.570   1.448
   81    HE   ARG   9           HE       ARG   9   3.331  -7.555   1.384
   82   HH11  ARG   9          HH11      ARG   9   4.791  -9.938  -0.751
   83   HH12  ARG   9          HH12      ARG   9   3.374 -10.952  -0.682
   84   HH21  ARG   9          HH21      ARG   9   1.613  -8.811   1.360
   85   HH22  ARG   9          HH22      ARG   9   1.600 -10.316   0.471
   86    H    MET  10           H        MET  10   6.892  -5.075   1.927
   87    HA   MET  10           HA       MET  10   7.273  -2.184   2.224
   88    HB2  MET  10           HB2      MET  10   6.678  -3.023   4.532
   89    HB3  MET  10           HB3      MET  10   8.136  -4.037   4.476
   90    HG2  MET  10           HG2      MET  10   9.488  -1.917   4.154
   91    HG3  MET  10           HG3      MET  10   7.991  -1.003   4.312
   92    HE1  MET  10           HE1      MET  10   9.580  -4.094   6.332
   93    HE2  MET  10           HE2      MET  10  10.862  -2.900   6.026
   94    HE3  MET  10           HE3      MET  10  10.280  -3.179   7.682
   95    H    PHE  11           H        PHE  11   9.147  -1.490   1.531
   96    HA   PHE  11           HA       PHE  11  11.117  -3.236   0.333
   97    HB2  PHE  11           HB2      PHE  11  10.881  -0.244   0.646
   98    HB3  PHE  11           HB3      PHE  11  12.274  -1.014  -0.118
   99    HD1  PHE  11           HD1      PHE  11   9.007   0.323  -0.733
  100    HD2  PHE  11           HD2      PHE  11  11.806  -2.690  -2.067
  101    HE1  PHE  11           HE1      PHE  11   7.858   0.210  -2.922
  102    HE2  PHE  11           HE2      PHE  11  10.646  -2.785  -4.262
  103    HZ   PHE  11           HZ       PHE  11   8.674  -1.329  -4.693
  104    H    ALA  12           H        ALA  12  13.428  -3.197   0.690
  105    HA   ALA  12           HA       ALA  12  14.172  -3.751   3.372
  106    HB1  ALA  12           HB1      ALA  12  16.448  -3.892   2.426
  107    HB2  ALA  12           HB2      ALA  12  15.268  -4.685   1.366
  108    HB3  ALA  12           HB3      ALA  12  15.901  -3.074   0.948
  109    H    ASN  13           H        ASN  13  14.102  -0.686   1.706
  110    HA   ASN  13           HA       ASN  13  15.780   0.745   3.642
  111    HB2  ASN  13           HB2      ASN  13  15.184   2.727   2.300
  112    HB3  ASN  13           HB3      ASN  13  15.799   1.397   1.308
  113   HD21  ASN  13          HD21      ASN  13  14.828   2.441  -0.519
  114    H    GLY  14           H        GLY  14  12.677  -0.466   3.958
  115    HA2  GLY  14           HA2      GLY  14  11.252  -0.156   5.770
  116    HA3  GLY  14           HA3      GLY  14  12.025   1.388   6.163
  117    H    THR  15           H        THR  15  10.955   0.941   2.849
  118    HA   THR  15           HA       THR  15   8.775   2.932   3.248
  119    HB   THR  15           HB       THR  15   9.911   1.782   0.681
  120    HG1  THR  15           HG1      THR  15  11.423   2.937   1.649
  121   HG21  THR  15          HG21      THR  15   7.925   4.012   1.216
  122   HG22  THR  15          HG22      THR  15   8.847   3.881  -0.294
  123   HG23  THR  15          HG23      THR  15   7.749   2.574   0.168
  124    H    VAL  16           H        VAL  16   6.671   2.387   3.307
  125    HA   VAL  16           HA       VAL  16   5.892  -0.447   2.886
  126    HB   VAL  16           HB       VAL  16   4.521   1.919   4.210
  127   HG11  VAL  16          HG11      VAL  16   2.728   0.527   3.277
  128   HG12  VAL  16          HG12      VAL  16   3.477  -0.935   3.962
  129   HG13  VAL  16          HG13      VAL  16   2.812   0.328   5.022
  130   HG21  VAL  16          HG21      VAL  16   5.601  -0.703   5.336
  131   HG22  VAL  16          HG22      VAL  16   6.379   0.889   5.502
  132   HG23  VAL  16          HG23      VAL  16   4.811   0.585   6.264
  133    H    TYR  17           H        TYR  17   4.355  -1.126   1.513
  134    HA   TYR  17           HA       TYR  17   2.791   0.659  -0.210
  135    HB2  TYR  17           HB2      TYR  17   3.654  -0.173  -2.288
  136    HB3  TYR  17           HB3      TYR  17   4.978   0.492  -1.384
  137    HD1  TYR  17           HD1      TYR  17   6.615  -1.115  -0.196
  138    HD2  TYR  17           HD2      TYR  17   3.737  -2.392  -3.152
  139    HE1  TYR  17           HE1      TYR  17   8.015  -3.111  -0.722
  140    HE2  TYR  17           HE2      TYR  17   5.138  -4.372  -3.668
  141    HH   TYR  17           HH       TYR  17   7.125  -5.432  -3.280
  142    H    TYR  18           H        TYR  18   1.733  -1.110  -1.928
  143    HA   TYR  18           HA       TYR  18   0.634  -3.362  -0.293
  144    HB2  TYR  18           HB2      TYR  18  -0.899  -1.479  -2.127
  145    HB3  TYR  18           HB3      TYR  18  -1.567  -2.821  -1.184
  146    HD1  TYR  18           HD1      TYR  18  -0.097   0.585  -1.003
  147    HD2  TYR  18           HD2      TYR  18  -2.026  -2.575   1.218
  148    HE1  TYR  18           HE1      TYR  18  -0.250   2.072   0.977
  149    HE2  TYR  18           HE2      TYR  18  -2.201  -1.072   3.187
  150    HH   TYR  18           HH       TYR  18  -0.857   2.243   3.169
  151    H    PHE  19           H        PHE  19   0.243  -5.237  -1.365
  152    HA   PHE  19           HA       PHE  19   1.110  -5.487  -4.221
  153    HB2  PHE  19           HB2      PHE  19   3.027  -5.844  -2.772
  154    HB3  PHE  19           HB3      PHE  19   2.117  -7.030  -1.818
  155    HD1  PHE  19           HD1      PHE  19   3.390  -6.290  -5.233
  156    HD2  PHE  19           HD2      PHE  19   2.008  -9.354  -2.533
  157    HE1  PHE  19           HE1      PHE  19   4.034  -8.007  -6.872
  158    HE2  PHE  19           HE2      PHE  19   2.731 -11.094  -4.151
  159    HZ   PHE  19           HZ       PHE  19   3.745 -10.435  -6.324
  160    H    ASN  20           H        ASN  20  -0.004  -6.892  -5.441
  161    HA   ASN  20           HA       ASN  20  -2.234  -8.386  -4.184
  162    HB2  ASN  20           HB2      ASN  20  -2.580  -6.823  -6.117
  163    HB3  ASN  20           HB3      ASN  20  -1.655  -7.948  -7.129
  164   HD21  ASN  20          HD21      ASN  20  -4.693  -7.066  -6.613
  165   HD22  ASN  20          HD22      ASN  20  -5.507  -8.615  -6.811
  166    H    HIS  21           H        HIS  21  -1.848 -10.439  -3.570
  167    HA   HIS  21           HA       HIS  21   0.487 -11.890  -4.490
  168    HB2  HIS  21           HB2      HIS  21   0.043 -13.383  -2.823
  169    HB3  HIS  21           HB3      HIS  21  -0.696 -11.922  -2.171
  170    HD2  HIS  21           HD2      HIS  21  -3.286 -12.061  -1.591
  171    HE1  HIS  21           HE1      HIS  21  -4.000 -16.054  -2.899
  172    HE2  HIS  21           HE2      HIS  21  -4.978 -14.078  -1.628
  173    H    ILE  22           H        ILE  22  -2.773 -11.771  -5.673
  174    HA   ILE  22           HA       ILE  22  -2.730 -14.394  -6.993
  175    HB   ILE  22           HB       ILE  22  -4.728 -12.095  -7.155
  176   HG12  ILE  22          HG12      ILE  22  -4.760 -14.566  -5.356
  177   HG13  ILE  22          HG13      ILE  22  -4.463 -12.903  -4.820
  178   HG21  ILE  22          HG21      ILE  22  -5.029 -15.036  -7.891
  179   HG22  ILE  22          HG22      ILE  22  -6.308 -13.800  -7.974
  180   HG23  ILE  22          HG23      ILE  22  -4.920 -13.680  -9.037
  181   HD11  ILE  22          HD11      ILE  22  -6.765 -12.280  -5.610
  182   HD12  ILE  22          HD12      ILE  22  -7.080 -14.020  -5.839
  183   HD13  ILE  22          HD13      ILE  22  -6.679 -13.395  -4.231
  184    H    THR  23           H        THR  23  -2.495 -10.969  -7.876
  185    HA   THR  23           HA       THR  23  -2.040 -11.658 -10.729
  186    HB   THR  23           HB       THR  23  -2.983  -9.628 -11.356
  187    HG1  THR  23           HG1      THR  23  -3.700  -8.292  -9.416
  188   HG21  THR  23          HG21      THR  23  -5.192  -9.583 -10.412
  189   HG22  THR  23          HG22      THR  23  -4.678 -11.275 -10.474
  190   HG23  THR  23          HG23      THR  23  -4.662 -10.399  -8.928
  191    H    ASN  24           H        ASN  24  -0.160 -10.683  -8.166
  192    HA   ASN  24           HA       ASN  24   1.857  -9.832  -7.873
  193    HB2  ASN  24           HB2      ASN  24   2.353 -10.419 -10.809
  194    HB3  ASN  24           HB3      ASN  24   3.589 -10.081  -9.588
  195   HD21  ASN  24          HD21      ASN  24   2.114 -12.591 -11.193
  196   HD22  ASN  24          HD22      ASN  24   2.447 -13.853 -10.001
  197    H    ALA  25           H        ALA  25  -0.393  -8.011  -8.993
  198    HA   ALA  25           HA       ALA  25   0.981  -5.668  -9.980
  199    HB1  ALA  25           HB1      ALA  25  -1.153  -4.548  -9.506
  200    HB2  ALA  25           HB2      ALA  25  -1.435  -6.095 -10.327
  201    HB3  ALA  25           HB3      ALA  25  -1.711  -5.951  -8.575
  202    H    SER  26           H        SER  26   1.332  -3.674  -8.842
  203    HA   SER  26           HA       SER  26   1.522  -3.767  -5.887
  204    HB2  SER  26           HB2      SER  26   3.810  -2.861  -5.926
  205    HB3  SER  26           HB3      SER  26   3.708  -4.498  -6.582
  206    HG   SER  26           HG       SER  26   3.815  -2.099  -8.121
  207    H    GLN  27           H        GLN  27   1.359  -1.784  -4.852
  208    HA   GLN  27           HA       GLN  27   1.141   0.709  -6.431
  209    HB2  GLN  27           HB2      GLN  27  -1.081  -0.471  -6.554
  210    HB3  GLN  27           HB3      GLN  27  -1.181  -0.375  -4.786
  211    HG2  GLN  27           HG2      GLN  27  -1.163   2.074  -4.909
  212    HG3  GLN  27           HG3      GLN  27  -0.951   2.008  -6.665
  213   HE21  GLN  27          HE21      GLN  27  -3.216   1.428  -3.982
  214   HE22  GLN  27          HE22      GLN  27  -4.655   1.338  -5.016
  215    H    PHE  28           H        PHE  28   1.465   2.545  -5.236
  216    HA   PHE  28           HA       PHE  28   2.510   2.207  -2.521
  217    HB2  PHE  28           HB2      PHE  28   2.556   4.512  -4.440
  218    HB3  PHE  28           HB3      PHE  28   3.010   4.689  -2.742
  219    HD1  PHE  28           HD1      PHE  28   4.073   3.404  -5.993
  220    HD2  PHE  28           HD2      PHE  28   4.925   3.409  -1.764
  221    HE1  PHE  28           HE1      PHE  28   6.373   2.584  -6.454
  222    HE2  PHE  28           HE2      PHE  28   7.227   2.598  -2.231
  223    HZ   PHE  28           HZ       PHE  28   7.954   2.185  -4.577
  224    H    GLU  29           H        GLU  29  -0.374   3.691  -3.852
  225    HA   GLU  29           HA       GLU  29  -1.288   4.683  -1.247
  226    HB2  GLU  29           HB2      GLU  29  -1.842   6.012  -3.144
  227    HB3  GLU  29           HB3      GLU  29  -2.396   4.619  -4.057
  228    HG2  GLU  29           HG2      GLU  29  -4.247   5.992  -3.477
  229    HG3  GLU  29           HG3      GLU  29  -4.403   4.426  -2.706
  230    H    ARG  30           H        ARG  30  -3.024   3.859  -0.055
  231    HA   ARG  30           HA       ARG  30  -3.240   0.998   0.052
  232    HB2  ARG  30           HB2      ARG  30  -3.534   2.760   1.931
  233    HB3  ARG  30           HB3      ARG  30  -5.181   2.940   1.349
  234    HG2  ARG  30           HG2      ARG  30  -4.728   0.106   1.640
  235    HG3  ARG  30           HG3      ARG  30  -3.969   0.893   3.030
  236    HD2  ARG  30           HD2      ARG  30  -6.057   0.502   3.838
  237    HD3  ARG  30           HD3      ARG  30  -6.221   2.176   3.287
  238    HE   ARG  30           HE       ARG  30  -6.984   0.444   1.136
  239   HH11  ARG  30          HH11      ARG  30  -8.253   1.277   4.316
  240   HH12  ARG  30          HH12      ARG  30  -9.840   0.677   3.899
  241   HH21  ARG  30          HH21      ARG  30  -8.921  -0.293   0.739
  242   HH22  ARG  30          HH22      ARG  30 -10.203  -0.303   1.963
  243    HA   PRO  31           HA       PRO  31  -6.306   0.860  -3.245
  244    HB2  PRO  31           HB2      PRO  31  -6.752  -1.843  -3.359
  245    HB3  PRO  31           HB3      PRO  31  -5.306  -1.048  -4.044
  246    HG2  PRO  31           HG2      PRO  31  -5.602  -2.484  -1.411
  247    HG3  PRO  31           HG3      PRO  31  -4.241  -2.560  -2.571
  248    HD2  PRO  31           HD2      PRO  31  -4.194  -1.017  -0.311
  249    HD3  PRO  31           HD3      PRO  31  -3.351  -0.535  -1.807
  250    H    SER  32           H        SER  32  -8.537   0.820  -3.433
  251    HA   SER  32           HA       SER  32 -10.004   1.168  -1.013
  252    HB2  SER  32           HB2      SER  32 -10.945   1.034  -3.899
  253    HB3  SER  32           HB3      SER  32 -11.933   1.564  -2.524
  254    HG   SER  32           HG       SER  32 -10.935   3.321  -3.598
  255    H    GLY  33           H        GLY  33 -11.317  -0.086   0.143
  256    HA2  GLY  33           HA2      GLY  33 -13.104  -2.055  -0.417
  257    HA3  GLY  33           HA3      GLY  33 -11.587  -2.955  -0.418
  258    H1'  ALL 101           H1       ALL  34  11.910   1.870  -0.748
  259    H2'  ALL 101           H2       ALL  34  13.567   3.999  -2.210
  260    H3'  ALL 101           H3       ALL  34  11.473   4.583  -3.364
  261    H4'  ALL 101           H4       ALL  34  12.901   2.960  -4.480
  262    H5'  ALL 101           H5       ALL  34  11.389   0.775  -2.980
  263   H6'1  ALL 101          H62       ALL  34  12.305   0.142  -5.280
  264   H6'2  ALL 101          H61       ALL  34  12.948  -0.800  -3.921
  265   HO'2  ALL 101          H2O       ALL  34  11.473   4.255  -0.263
  266   HO'3  ALL 101          H3O       ALL  34   9.739   2.980  -3.133
  267   HO'4  ALL 101          H4O       ALL  34  11.282   2.098  -5.769
  268   HO'6  ALL 101          H6O       ALL  34  14.711   0.740  -3.861
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -11.727  -5.513   5.351
    2    H2   LYS   1           H2       LYS   1 -11.153  -6.061   3.923
    3    H3   LYS   1           H3       LYS   1 -11.797  -4.557   4.032
    4    HA   LYS   1           HA       LYS   1 -10.065  -3.822   5.498
    5    HB2  LYS   1           HB2      LYS   1  -9.731  -6.219   6.354
    6    HB3  LYS   1           HB3      LYS   1  -8.622  -6.462   5.019
    7    HG2  LYS   1           HG2      LYS   1  -8.398  -4.221   7.087
    8    HG3  LYS   1           HG3      LYS   1  -7.680  -5.799   7.314
    9    HD2  LYS   1           HD2      LYS   1  -6.927  -3.809   5.138
   10    HD3  LYS   1           HD3      LYS   1  -6.028  -4.135   6.603
   11    HE2  LYS   1           HE2      LYS   1  -6.514  -6.153   4.365
   12    HE3  LYS   1           HE3      LYS   1  -5.036  -5.226   4.632
   13    HZ1  LYS   1           HZ1      LYS   1  -6.126  -7.221   6.534
   14    HZ2  LYS   1           HZ2      LYS   1  -4.843  -7.442   5.545
   15    HZ3  LYS   1           HZ3      LYS   1  -4.758  -6.346   6.755
   16    H    LEU   2           H        LEU   2  -8.960  -6.002   2.839
   17    HA   LEU   2           HA       LEU   2  -8.448  -3.623   1.130
   18    HB2  LEU   2           HB2      LEU   2  -6.619  -5.953   1.767
   19    HB3  LEU   2           HB3      LEU   2  -6.492  -5.142   0.210
   20    HG   LEU   2           HG       LEU   2  -6.258  -3.618   2.823
   21   HD11  LEU   2          HD11      LEU   2  -4.484  -5.373   2.628
   22   HD12  LEU   2          HD12      LEU   2  -4.019  -4.689   1.060
   23   HD13  LEU   2          HD13      LEU   2  -3.843  -3.723   2.545
   24   HD21  LEU   2          HD21      LEU   2  -5.132  -1.949   1.422
   25   HD22  LEU   2          HD22      LEU   2  -5.327  -2.983  -0.014
   26   HD23  LEU   2          HD23      LEU   2  -6.741  -2.264   0.765
   27    HA   PRO   3           HA       PRO   3 -10.712  -5.856  -1.947
   28    HB2  PRO   3           HB2      PRO   3  -8.738  -5.274  -4.088
   29    HB3  PRO   3           HB3      PRO   3 -10.441  -4.759  -3.947
   30    HG2  PRO   3           HG2      PRO   3  -8.319  -3.045  -3.578
   31    HG3  PRO   3           HG3      PRO   3  -9.879  -2.879  -2.699
   32    HD2  PRO   3           HD2      PRO   3  -7.286  -4.071  -1.722
   33    HD3  PRO   3           HD3      PRO   3  -8.451  -3.004  -0.879
   34    HA   PRO   4           HA       PRO   4  -9.427  -9.961  -2.519
   35    HB2  PRO   4           HB2      PRO   4  -9.865  -9.769  -5.509
   36    HB3  PRO   4           HB3      PRO   4 -10.388 -11.052  -4.370
   37    HG2  PRO   4           HG2      PRO   4 -12.148  -9.155  -5.139
   38    HG3  PRO   4           HG3      PRO   4 -12.048  -9.608  -3.403
   39    HD2  PRO   4           HD2      PRO   4 -10.815  -7.220  -4.801
   40    HD3  PRO   4           HD3      PRO   4 -11.692  -7.294  -3.240
   41    H    GLY   5           H        GLY   5  -7.471 -10.737  -2.277
   42    HA2  GLY   5           HA2      GLY   5  -5.363 -11.536  -2.795
   43    HA3  GLY   5           HA3      GLY   5  -5.423 -10.714  -4.363
   44    H    TRP   6           H        TRP   6  -6.059  -8.105  -2.610
   45    HA   TRP   6           HA       TRP   6  -3.279  -7.228  -2.540
   46    HB2  TRP   6           HB2      TRP   6  -5.871  -5.868  -1.836
   47    HB3  TRP   6           HB3      TRP   6  -4.291  -5.110  -1.623
   48    HD1  TRP   6           HD1      TRP   6  -6.768  -6.131  -4.296
   49    HE1  TRP   6           HE1      TRP   6  -6.160  -5.040  -6.544
   50    HE3  TRP   6           HE3      TRP   6  -2.148  -4.316  -3.073
   51    HZ2  TRP   6           HZ2      TRP   6  -3.896  -3.677  -7.696
   52    HZ3  TRP   6           HZ3      TRP   6  -0.778  -3.123  -4.779
   53    HH2  TRP   6           HH2      TRP   6  -1.629  -2.819  -7.086
   54    H    GLU   7           H        GLU   7  -1.907  -7.022  -0.913
   55    HA   GLU   7           HA       GLU   7  -2.843  -6.696   1.845
   56    HB2  GLU   7           HB2      GLU   7  -1.393  -9.122   0.893
   57    HB3  GLU   7           HB3      GLU   7  -0.686  -8.362   2.303
   58    HG2  GLU   7           HG2      GLU   7  -3.555  -9.332   2.064
   59    HG3  GLU   7           HG3      GLU   7  -2.250 -10.099   2.957
   60    H    LYS   8           H        LYS   8  -1.095  -6.037   3.330
   61    HA   LYS   8           HA       LYS   8   0.546  -3.934   2.166
   62    HB2  LYS   8           HB2      LYS   8   0.274  -5.041   4.967
   63    HB3  LYS   8           HB3      LYS   8   1.567  -3.904   4.547
   64    HG2  LYS   8           HG2      LYS   8  -0.067  -2.271   3.707
   65    HG3  LYS   8           HG3      LYS   8  -1.386  -3.394   4.052
   66    HD2  LYS   8           HD2      LYS   8  -1.347  -1.792   5.822
   67    HD3  LYS   8           HD3      LYS   8  -0.720  -3.303   6.500
   68    HE2  LYS   8           HE2      LYS   8   1.620  -2.439   6.166
   69    HE3  LYS   8           HE3      LYS   8   0.950  -0.945   5.499
   70    HZ1  LYS   8           HZ1      LYS   8   0.492  -1.926   8.267
   71    HZ2  LYS   8           HZ2      LYS   8   1.495  -0.706   7.855
   72    HZ3  LYS   8           HZ3      LYS   8  -0.116  -0.539   7.651
   73    H    ARG   9           H        ARG   9   2.635  -3.690   1.970
   74    HA   ARG   9           HA       ARG   9   4.527  -5.981   2.117
   75    HB2  ARG   9           HB2      ARG   9   3.160  -5.523  -0.202
   76    HB3  ARG   9           HB3      ARG   9   4.404  -4.311  -0.398
   77    HG2  ARG   9           HG2      ARG   9   5.068  -6.309  -1.539
   78    HG3  ARG   9           HG3      ARG   9   6.136  -6.159  -0.127
   79    HD2  ARG   9           HD2      ARG   9   4.891  -7.878   1.062
   80    HD3  ARG   9           HD3      ARG   9   3.603  -7.850  -0.166
   81    HE   ARG   9           HE       ARG   9   6.229  -8.527  -1.249
   82   HH11  ARG   9          HH11      ARG   9   3.697 -11.509  -0.453
   83   HH12  ARG   9          HH12      ARG   9   3.423  -9.956   0.294
   84   HH21  ARG   9          HH21      ARG   9   6.510 -10.526  -2.164
   85   HH22  ARG   9          HH22      ARG   9   5.400 -11.817  -1.796
   86    H    MET  10           H        MET  10   6.829  -5.212   1.773
   87    HA   MET  10           HA       MET  10   7.267  -2.355   2.370
   88    HB2  MET  10           HB2      MET  10   6.541  -3.345   4.505
   89    HB3  MET  10           HB3      MET  10   7.854  -4.536   4.408
   90    HG2  MET  10           HG2      MET  10   9.519  -2.760   4.609
   91    HG3  MET  10           HG3      MET  10   8.254  -1.522   4.516
   92    HE1  MET  10           HE1      MET  10   9.439  -1.175   8.228
   93    HE2  MET  10           HE2      MET  10  10.456  -1.573   6.827
   94    HE3  MET  10           HE3      MET  10   9.168  -0.349   6.678
   95    H    PHE  11           H        PHE  11   9.103  -1.618   1.713
   96    HA   PHE  11           HA       PHE  11  11.116  -3.296   0.459
   97    HB2  PHE  11           HB2      PHE  11  10.777  -0.307   0.743
   98    HB3  PHE  11           HB3      PHE  11  12.161  -1.052  -0.061
   99    HD1  PHE  11           HD1      PHE  11   8.987   0.364  -0.666
  100    HD2  PHE  11           HD2      PHE  11  11.543  -2.888  -1.918
  101    HE1  PHE  11           HE1      PHE  11   7.827   0.287  -2.849
  102    HE2  PHE  11           HE2      PHE  11  10.350  -2.976  -4.094
  103    HZ   PHE  11           HZ       PHE  11   8.499  -1.382  -4.567
  104    H    ALA  12           H        ALA  12  13.386  -3.235   0.812
  105    HA   ALA  12           HA       ALA  12  14.185  -3.599   3.513
  106    HB1  ALA  12           HB1      ALA  12  15.230  -4.686   1.558
  107    HB2  ALA  12           HB2      ALA  12  15.857  -3.114   1.005
  108    HB3  ALA  12           HB3      ALA  12  16.437  -3.822   2.528
  109    H    ASN  13           H        ASN  13  14.067  -0.653   1.638
  110    HA   ASN  13           HA       ASN  13  15.836   0.877   3.406
  111    HB2  ASN  13           HB2      ASN  13  15.223   2.784   1.983
  112    HB3  ASN  13           HB3      ASN  13  15.768   1.387   1.045
  113   HD21  ASN  13          HD21      ASN  13  14.779   2.377  -0.773
  114    H    GLY  14           H        GLY  14  12.789  -0.294   3.992
  115    HA2  GLY  14           HA2      GLY  14  11.573   0.142   5.941
  116    HA3  GLY  14           HA3      GLY  14  12.267   1.764   6.063
  117    H    THR  15           H        THR  15  11.020   1.031   2.920
  118    HA   THR  15           HA       THR  15   8.744   2.886   3.354
  119    HB   THR  15           HB       THR  15   9.853   1.753   0.776
  120    HG1  THR  15           HG1      THR  15  11.377   2.939   1.545
  121   HG21  THR  15          HG21      THR  15   8.726   3.741  -0.245
  122   HG22  THR  15          HG22      THR  15   7.616   2.514   0.370
  123   HG23  THR  15          HG23      THR  15   7.890   4.013   1.302
  124    H    VAL  16           H        VAL  16   6.666   2.280   3.464
  125    HA   VAL  16           HA       VAL  16   5.914  -0.565   2.978
  126    HB   VAL  16           HB       VAL  16   4.541   1.740   4.406
  127   HG11  VAL  16          HG11      VAL  16   3.481  -1.092   4.004
  128   HG12  VAL  16          HG12      VAL  16   2.819   0.120   5.125
  129   HG13  VAL  16          HG13      VAL  16   2.745   0.409   3.391
  130   HG21  VAL  16          HG21      VAL  16   6.380   0.634   5.656
  131   HG22  VAL  16          HG22      VAL  16   4.804   0.287   6.387
  132   HG23  VAL  16          HG23      VAL  16   5.605  -0.945   5.393
  133    H    TYR  17           H        TYR  17   4.371  -1.180   1.568
  134    HA   TYR  17           HA       TYR  17   2.810   0.684  -0.068
  135    HB2  TYR  17           HB2      TYR  17   3.629  -0.089  -2.190
  136    HB3  TYR  17           HB3      TYR  17   4.968   0.551  -1.295
  137    HD1  TYR  17           HD1      TYR  17   6.537  -1.187  -0.061
  138    HD2  TYR  17           HD2      TYR  17   3.803  -2.182  -3.255
  139    HE1  TYR  17           HE1      TYR  17   7.898  -3.198  -0.620
  140    HE2  TYR  17           HE2      TYR  17   5.155  -4.191  -3.789
  141    HH   TYR  17           HH       TYR  17   7.088  -5.336  -3.355
  142    H    TYR  18           H        TYR  18   1.807  -1.097  -1.887
  143    HA   TYR  18           HA       TYR  18   0.693  -3.365  -0.304
  144    HB2  TYR  18           HB2      TYR  18  -0.813  -1.493  -2.166
  145    HB3  TYR  18           HB3      TYR  18  -1.477  -2.896  -1.316
  146    HD1  TYR  18           HD1      TYR  18  -0.162   0.548  -0.905
  147    HD2  TYR  18           HD2      TYR  18  -2.046  -2.804   1.051
  148    HE1  TYR  18           HE1      TYR  18  -0.571   1.958   1.093
  149    HE2  TYR  18           HE2      TYR  18  -2.525  -1.364   3.035
  150    HH   TYR  18           HH       TYR  18  -1.417   2.025   3.221
  151    H    PHE  19           H        PHE  19   0.237  -5.223  -1.401
  152    HA   PHE  19           HA       PHE  19   1.087  -5.494  -4.249
  153    HB2  PHE  19           HB2      PHE  19   3.063  -5.864  -2.912
  154    HB3  PHE  19           HB3      PHE  19   2.193  -7.014  -1.881
  155    HD1  PHE  19           HD1      PHE  19   3.219  -6.379  -5.396
  156    HD2  PHE  19           HD2      PHE  19   2.126  -9.367  -2.483
  157    HE1  PHE  19           HE1      PHE  19   3.770  -8.137  -7.015
  158    HE2  PHE  19           HE2      PHE  19   2.755 -11.148  -4.090
  159    HZ   PHE  19           HZ       PHE  19   3.574 -10.555  -6.364
  160    H    ASN  20           H        ASN  20  -0.070  -6.910  -5.428
  161    HA   ASN  20           HA       ASN  20  -2.222  -8.418  -4.053
  162    HB2  ASN  20           HB2      ASN  20  -2.712  -6.843  -5.965
  163    HB3  ASN  20           HB3      ASN  20  -1.883  -7.994  -7.031
  164   HD21  ASN  20          HD21      ASN  20  -5.695  -8.683  -5.995
  165   HD22  ASN  20          HD22      ASN  20  -4.880  -7.125  -5.915
  166    H    HIS  21           H        HIS  21  -1.815 -10.475  -3.508
  167    HA   HIS  21           HA       HIS  21   0.493 -11.883  -4.552
  168    HB2  HIS  21           HB2      HIS  21   0.155 -13.391  -2.875
  169    HB3  HIS  21           HB3      HIS  21  -0.582 -11.948  -2.181
  170    HD2  HIS  21           HD2      HIS  21  -3.155 -12.123  -1.516
  171    HE1  HIS  21           HE1      HIS  21  -3.841 -16.133  -2.784
  172    HE2  HIS  21           HE2      HIS  21  -4.810 -14.170  -1.484
  173    H    ILE  22           H        ILE  22  -2.820 -11.798  -5.583
  174    HA   ILE  22           HA       ILE  22  -2.783 -14.400  -6.951
  175    HB   ILE  22           HB       ILE  22  -4.835 -12.143  -6.957
  176   HG12  ILE  22          HG12      ILE  22  -4.722 -14.680  -5.252
  177   HG13  ILE  22          HG13      ILE  22  -4.448 -13.028  -4.670
  178   HG21  ILE  22          HG21      ILE  22  -5.085 -13.660  -8.887
  179   HG22  ILE  22          HG22      ILE  22  -5.107 -15.061  -7.790
  180   HG23  ILE  22          HG23      ILE  22  -6.416 -13.855  -7.764
  181   HD11  ILE  22          HD11      ILE  22  -7.074 -14.200  -5.598
  182   HD12  ILE  22          HD12      ILE  22  -6.618 -13.592  -3.997
  183   HD13  ILE  22          HD13      ILE  22  -6.806 -12.456  -5.348
  184    H    THR  23           H        THR  23  -2.672 -10.953  -7.773
  185    HA   THR  23           HA       THR  23  -2.343 -11.573 -10.657
  186    HB   THR  23           HB       THR  23  -3.320  -9.522 -11.181
  187    HG1  THR  23           HG1      THR  23  -3.969  -8.263  -9.171
  188   HG21  THR  23          HG21      THR  23  -5.487  -9.539 -10.144
  189   HG22  THR  23          HG22      THR  23  -4.957 -11.223 -10.283
  190   HG23  THR  23          HG23      THR  23  -4.885 -10.396  -8.710
  191    H    ASN  24           H        ASN  24  -0.336 -10.665  -8.172
  192    HA   ASN  24           HA       ASN  24   1.704  -9.837  -7.965
  193    HB2  ASN  24           HB2      ASN  24   2.026 -10.386 -10.933
  194    HB3  ASN  24           HB3      ASN  24   3.336 -10.070  -9.786
  195   HD21  ASN  24          HD21      ASN  24   1.760 -12.556 -11.324
  196   HD22  ASN  24          HD22      ASN  24   2.149 -13.828 -10.162
  197    H    ALA  25           H        ALA  25  -0.569  -7.963  -8.907
  198    HA   ALA  25           HA       ALA  25   0.774  -5.628  -9.958
  199    HB1  ALA  25           HB1      ALA  25  -1.322  -4.494  -9.356
  200    HB2  ALA  25           HB2      ALA  25  -1.662  -6.033 -10.174
  201    HB3  ALA  25           HB3      ALA  25  -1.839  -5.906  -8.410
  202    H    SER  26           H        SER  26   1.323  -3.691  -8.841
  203    HA   SER  26           HA       SER  26   1.540  -3.766  -5.887
  204    HB2  SER  26           HB2      SER  26   3.844  -2.873  -5.972
  205    HB3  SER  26           HB3      SER  26   3.706  -4.536  -6.538
  206    HG   SER  26           HG       SER  26   3.842  -2.221  -8.201
  207    H    GLN  27           H        GLN  27   1.437  -1.766  -4.863
  208    HA   GLN  27           HA       GLN  27   1.361   0.737  -6.391
  209    HB2  GLN  27           HB2      GLN  27  -0.863  -0.184  -6.855
  210    HB3  GLN  27           HB3      GLN  27  -1.133  -0.470  -5.136
  211    HG2  GLN  27           HG2      GLN  27  -2.375   1.471  -5.921
  212    HG3  GLN  27           HG3      GLN  27  -1.202   1.913  -4.692
  213   HE21  GLN  27          HE21      GLN  27  -1.538   1.804  -8.305
  214   HE22  GLN  27          HE22      GLN  27  -0.487   3.202  -8.552
  215    H    PHE  28           H        PHE  28   1.552   2.549  -5.085
  216    HA   PHE  28           HA       PHE  28   2.377   2.019  -2.298
  217    HB2  PHE  28           HB2      PHE  28   4.049   3.119  -3.422
  218    HB3  PHE  28           HB3      PHE  28   2.932   4.259  -4.183
  219    HD1  PHE  28           HD1      PHE  28   2.200   6.289  -3.074
  220    HD2  PHE  28           HD2      PHE  28   4.660   3.403  -1.015
  221    HE1  PHE  28           HE1      PHE  28   2.640   7.943  -1.271
  222    HE2  PHE  28           HE2      PHE  28   5.095   5.053   0.783
  223    HZ   PHE  28           HZ       PHE  28   4.087   7.330   0.659
  224    H    GLU  29           H        GLU  29  -0.099   3.920  -3.921
  225    HA   GLU  29           HA       GLU  29  -1.222   4.981  -1.463
  226    HB2  GLU  29           HB2      GLU  29  -1.543   6.177  -3.523
  227    HB3  GLU  29           HB3      GLU  29  -2.176   4.749  -4.327
  228    HG2  GLU  29           HG2      GLU  29  -3.948   6.277  -3.965
  229    HG3  GLU  29           HG3      GLU  29  -4.232   4.844  -2.996
  230    H    ARG  30           H        ARG  30  -2.973   4.269  -0.270
  231    HA   ARG  30           HA       ARG  30  -3.299   1.464   0.028
  232    HB2  ARG  30           HB2      ARG  30  -3.449   2.977   1.848
  233    HB3  ARG  30           HB3      ARG  30  -4.847   3.795   1.178
  234    HG2  ARG  30           HG2      ARG  30  -5.039   0.815   1.676
  235    HG3  ARG  30           HG3      ARG  30  -5.001   1.894   3.078
  236    HD2  ARG  30           HD2      ARG  30  -7.131   2.520   2.827
  237    HD3  ARG  30           HD3      ARG  30  -6.879   2.960   1.146
  238    HE   ARG  30           HE       ARG  30  -7.710   0.933   0.419
  239   HH11  ARG  30          HH11      ARG  30  -7.357   0.589   3.913
  240   HH12  ARG  30          HH12      ARG  30  -8.351  -0.858   3.890
  241   HH21  ARG  30          HH21      ARG  30  -8.936  -0.783   0.533
  242   HH22  ARG  30          HH22      ARG  30  -9.217  -1.593   2.085
  243    HA   PRO  31           HA       PRO  31  -5.937   0.856  -3.492
  244    HB2  PRO  31           HB2      PRO  31  -6.380  -1.843  -2.202
  245    HB3  PRO  31           HB3      PRO  31  -6.067  -1.458  -3.923
  246    HG2  PRO  31           HG2      PRO  31  -4.060  -2.332  -2.342
  247    HG3  PRO  31           HG3      PRO  31  -3.771  -0.949  -3.453
  248    HD2  PRO  31           HD2      PRO  31  -4.329  -0.892  -0.479
  249    HD3  PRO  31           HD3      PRO  31  -3.152   0.030  -1.442
  250    H    SER  32           H        SER  32  -7.943   1.539  -3.867
  251    HA   SER  32           HA       SER  32 -10.101   2.164  -3.614
  252    HB2  SER  32           HB2      SER  32 -10.344  -0.672  -2.580
  253    HB3  SER  32           HB3      SER  32 -11.689   0.341  -3.134
  254    HG   SER  32           HG       SER  32 -10.946  -0.977  -4.814
  255    H    GLY  33           H        GLY  33  -8.669   3.245  -1.513
  256    HA2  GLY  33           HA2      GLY  33 -10.852   3.902   0.315
  257    HA3  GLY  33           HA3      GLY  33  -9.532   3.052   1.112
  258    H1'  ALL 101           H1       ALL  34  11.847   1.860  -0.940
  259    H2'  ALL 101           H2       ALL  34  13.613   3.749  -2.601
  260    H3'  ALL 101           H3       ALL  34  11.612   4.249  -3.919
  261    H4'  ALL 101           H4       ALL  34  12.942   2.415  -4.790
  262    H5'  ALL 101           H5       ALL  34  11.320   0.510  -3.054
  263   H6'1  ALL 101          H62       ALL  34  12.312  -0.377  -5.274
  264   H6'2  ALL 101          H61       ALL  34  12.791  -1.225  -3.791
  265   HO'2  ALL 101          H2O       ALL  34  12.806   4.587  -0.547
  266   HO'3  ALL 101          H3O       ALL  34  10.141   3.785  -2.142
  267   HO'4  ALL 101          H4O       ALL  34  10.134   2.062  -4.705
  268   HO'6  ALL 101          H6O       ALL  34  14.632   0.248  -3.738
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -10.286  -6.290   4.818
    2    H2   LYS   1           H2       LYS   1 -11.211  -4.941   4.939
    3    H3   LYS   1           H3       LYS   1 -10.667  -5.684   6.288
    4    HA   LYS   1           HA       LYS   1  -9.425  -3.693   5.915
    5    HB2  LYS   1           HB2      LYS   1  -8.314  -5.681   6.965
    6    HB3  LYS   1           HB3      LYS   1  -7.680  -6.130   5.380
    7    HG2  LYS   1           HG2      LYS   1  -6.536  -3.840   5.293
    8    HG3  LYS   1           HG3      LYS   1  -7.138  -3.555   6.927
    9    HD2  LYS   1           HD2      LYS   1  -4.898  -4.262   7.184
   10    HD3  LYS   1           HD3      LYS   1  -5.876  -5.665   7.645
   11    HE2  LYS   1           HE2      LYS   1  -5.523  -6.618   5.345
   12    HE3  LYS   1           HE3      LYS   1  -4.564  -5.190   4.925
   13    HZ1  LYS   1           HZ1      LYS   1  -3.013  -5.833   6.721
   14    HZ2  LYS   1           HZ2      LYS   1  -3.862  -7.208   6.981
   15    HZ3  LYS   1           HZ3      LYS   1  -3.103  -6.963   5.546
   16    H    LEU   2           H        LEU   2  -8.505  -5.956   3.263
   17    HA   LEU   2           HA       LEU   2  -8.265  -3.639   1.399
   18    HB2  LEU   2           HB2      LEU   2  -6.450  -6.009   1.943
   19    HB3  LEU   2           HB3      LEU   2  -6.410  -5.208   0.379
   20    HG   LEU   2           HG       LEU   2  -6.013  -3.622   2.930
   21   HD11  LEU   2          HD11      LEU   2  -4.314  -5.450   2.808
   22   HD12  LEU   2          HD12      LEU   2  -3.859  -4.880   1.190
   23   HD13  LEU   2          HD13      LEU   2  -3.609  -3.833   2.606
   24   HD21  LEU   2          HD21      LEU   2  -5.089  -3.181   0.052
   25   HD22  LEU   2          HD22      LEU   2  -6.491  -2.389   0.782
   26   HD23  LEU   2          HD23      LEU   2  -4.868  -2.072   1.422
   27    HA   PRO   3           HA       PRO   3 -10.743  -5.978  -1.475
   28    HB2  PRO   3           HB2      PRO   3  -8.935  -5.353  -3.746
   29    HB3  PRO   3           HB3      PRO   3 -10.633  -4.862  -3.484
   30    HG2  PRO   3           HG2      PRO   3  -8.536  -3.106  -3.275
   31    HG3  PRO   3           HG3      PRO   3 -10.009  -2.983  -2.249
   32    HD2  PRO   3           HD2      PRO   3  -7.333  -4.204  -1.545
   33    HD3  PRO   3           HD3      PRO   3  -8.358  -3.087  -0.597
   34    HA   PRO   4           HA       PRO   4  -9.310 -10.039  -2.226
   35    HB2  PRO   4           HB2      PRO   4  -9.915  -9.781  -5.180
   36    HB3  PRO   4           HB3      PRO   4 -10.321 -11.118  -4.058
   37    HG2  PRO   4           HG2      PRO   4 -12.203  -9.286  -4.682
   38    HG3  PRO   4           HG3      PRO   4 -11.995  -9.783  -2.967
   39    HD2  PRO   4           HD2      PRO   4 -10.940  -7.302  -4.350
   40    HD3  PRO   4           HD3      PRO   4 -11.739  -7.457  -2.753
   41    H    GLY   5           H        GLY   5  -7.354 -10.863  -2.231
   42    HA2  GLY   5           HA2      GLY   5  -5.253 -11.526  -2.911
   43    HA3  GLY   5           HA3      GLY   5  -5.421 -10.572  -4.394
   44    H    TRP   6           H        TRP   6  -6.008  -8.101  -2.524
   45    HA   TRP   6           HA       TRP   6  -3.248  -7.201  -2.463
   46    HB2  TRP   6           HB2      TRP   6  -5.829  -5.901  -1.627
   47    HB3  TRP   6           HB3      TRP   6  -4.248  -5.119  -1.488
   48    HD1  TRP   6           HD1      TRP   6  -6.879  -6.126  -4.005
   49    HE1  TRP   6           HE1      TRP   6  -6.398  -5.073  -6.296
   50    HE3  TRP   6           HE3      TRP   6  -2.169  -4.344  -3.089
   51    HZ2  TRP   6           HZ2      TRP   6  -4.155  -3.882  -7.635
   52    HZ3  TRP   6           HZ3      TRP   6  -0.874  -3.245  -4.912
   53    HH2  TRP   6           HH2      TRP   6  -1.839  -3.032  -7.185
   54    H    GLU   7           H        GLU   7  -1.852  -6.945  -0.857
   55    HA   GLU   7           HA       GLU   7  -2.666  -6.899   1.963
   56    HB2  GLU   7           HB2      GLU   7  -2.421  -9.258   1.635
   57    HB3  GLU   7           HB3      GLU   7  -0.932  -9.051   0.732
   58    HG2  GLU   7           HG2      GLU   7  -0.540 -10.044   2.895
   59    HG3  GLU   7           HG3      GLU   7   0.309  -8.524   2.716
   60    H    LYS   8           H        LYS   8  -0.990  -6.092   3.376
   61    HA   LYS   8           HA       LYS   8   0.656  -4.015   2.210
   62    HB2  LYS   8           HB2      LYS   8   0.392  -5.136   5.008
   63    HB3  LYS   8           HB3      LYS   8   1.676  -3.989   4.600
   64    HG2  LYS   8           HG2      LYS   8   0.049  -2.347   3.797
   65    HG3  LYS   8           HG3      LYS   8  -1.274  -3.480   4.088
   66    HD2  LYS   8           HD2      LYS   8  -1.228  -1.880   5.890
   67    HD3  LYS   8           HD3      LYS   8  -0.720  -3.448   6.536
   68    HE2  LYS   8           HE2      LYS   8   1.666  -2.730   6.370
   69    HE3  LYS   8           HE3      LYS   8   1.150  -1.180   5.696
   70    HZ1  LYS   8           HZ1      LYS   8   0.457  -2.171   8.410
   71    HZ2  LYS   8           HZ2      LYS   8   1.565  -1.020   8.082
   72    HZ3  LYS   8           HZ3      LYS   8  -0.015  -0.734   7.789
   73    H    ARG   9           H        ARG   9   2.741  -3.737   1.994
   74    HA   ARG   9           HA       ARG   9   4.686  -5.977   2.211
   75    HB2  ARG   9           HB2      ARG   9   3.399  -5.869  -0.064
   76    HB3  ARG   9           HB3      ARG   9   4.265  -4.370  -0.347
   77    HG2  ARG   9           HG2      ARG   9   5.374  -6.126  -1.514
   78    HG3  ARG   9           HG3      ARG   9   6.433  -5.674  -0.165
   79    HD2  ARG   9           HD2      ARG   9   5.581  -7.645   1.114
   80    HD3  ARG   9           HD3      ARG   9   4.546  -8.081  -0.258
   81    HE   ARG   9           HE       ARG   9   7.443  -8.460   0.021
   82   HH11  ARG   9          HH11      ARG   9   4.871  -8.359  -2.372
   83   HH12  ARG   9          HH12      ARG   9   5.806  -9.259  -3.529
   84   HH21  ARG   9          HH21      ARG   9   8.564  -9.590  -1.508
   85   HH22  ARG   9          HH22      ARG   9   7.833  -9.929  -3.053
   86    H    MET  10           H        MET  10   6.970  -5.150   1.819
   87    HA   MET  10           HA       MET  10   7.344  -2.266   2.260
   88    HB2  MET  10           HB2      MET  10   6.760  -3.226   4.505
   89    HB3  MET  10           HB3      MET  10   8.176  -4.287   4.371
   90    HG2  MET  10           HG2      MET  10   9.561  -2.135   4.119
   91    HG3  MET  10           HG3      MET  10   8.116  -1.257   4.602
   92    HE1  MET  10           HE1      MET  10   7.656  -2.463   8.336
   93    HE2  MET  10           HE2      MET  10   7.149  -1.270   7.127
   94    HE3  MET  10           HE3      MET  10   6.804  -2.999   6.875
   95    H    PHE  11           H        PHE  11   9.206  -1.529   1.577
   96    HA   PHE  11           HA       PHE  11  11.197  -3.193   0.293
   97    HB2  PHE  11           HB2      PHE  11  10.914  -0.224   0.739
   98    HB3  PHE  11           HB3      PHE  11  12.327  -0.935  -0.047
   99    HD1  PHE  11           HD1      PHE  11   9.028   0.359  -0.622
  100    HD2  PHE  11           HD2      PHE  11  11.919  -2.507  -2.082
  101    HE1  PHE  11           HE1      PHE  11   7.893   0.315  -2.818
  102    HE2  PHE  11           HE2      PHE  11  10.778  -2.525  -4.289
  103    HZ   PHE  11           HZ       PHE  11   8.766  -1.107  -4.660
  104    H    ALA  12           H        ALA  12  13.508  -3.137   0.651
  105    HA   ALA  12           HA       ALA  12  14.258  -3.806   3.303
  106    HB1  ALA  12           HB1      ALA  12  15.369  -4.624   1.257
  107    HB2  ALA  12           HB2      ALA  12  15.979  -2.986   0.920
  108    HB3  ALA  12           HB3      ALA  12  16.536  -3.870   2.357
  109    H    ASN  13           H        ASN  13  14.131  -0.660   1.805
  110    HA   ASN  13           HA       ASN  13  15.801   0.693   3.805
  111    HB2  ASN  13           HB2      ASN  13  15.175   2.731   2.567
  112    HB3  ASN  13           HB3      ASN  13  15.798   1.462   1.501
  113   HD21  ASN  13          HD21      ASN  13  14.787   2.692  -0.215
  114    H    GLY  14           H        GLY  14  12.708  -0.568   4.057
  115    HA2  GLY  14           HA2      GLY  14  11.269  -0.355   5.874
  116    HA3  GLY  14           HA3      GLY  14  12.025   1.176   6.343
  117    H    THR  15           H        THR  15  10.964   0.840   3.006
  118    HA   THR  15           HA       THR  15   8.779   2.813   3.469
  119    HB   THR  15           HB       THR  15   9.903   1.747   0.863
  120    HG1  THR  15           HG1      THR  15  11.417   2.861   1.902
  121   HG21  THR  15          HG21      THR  15   7.752   2.565   0.376
  122   HG22  THR  15          HG22      THR  15   7.928   3.963   1.477
  123   HG23  THR  15          HG23      THR  15   8.849   3.886  -0.037
  124    H    VAL  16           H        VAL  16   6.671   2.273   3.482
  125    HA   VAL  16           HA       VAL  16   5.883  -0.541   2.951
  126    HB   VAL  16           HB       VAL  16   4.493   1.776   4.342
  127   HG11  VAL  16          HG11      VAL  16   2.718   0.403   3.350
  128   HG12  VAL  16          HG12      VAL  16   3.477  -1.078   3.983
  129   HG13  VAL  16          HG13      VAL  16   2.792   0.137   5.086
  130   HG21  VAL  16          HG21      VAL  16   4.773   0.370   6.352
  131   HG22  VAL  16          HG22      VAL  16   5.583  -0.874   5.379
  132   HG23  VAL  16          HG23      VAL  16   6.345   0.717   5.617
  133    H    TYR  17           H        TYR  17   4.357  -1.165   1.539
  134    HA   TYR  17           HA       TYR  17   2.761   0.688  -0.070
  135    HB2  TYR  17           HB2      TYR  17   3.588  -0.037  -2.208
  136    HB3  TYR  17           HB3      TYR  17   4.916   0.616  -1.297
  137    HD1  TYR  17           HD1      TYR  17   6.594  -1.012  -0.188
  138    HD2  TYR  17           HD2      TYR  17   3.715  -2.205  -3.175
  139    HE1  TYR  17           HE1      TYR  17   8.029  -2.944  -0.807
  140    HE2  TYR  17           HE2      TYR  17   5.142  -4.157  -3.767
  141    HH   TYR  17           HH       TYR  17   8.358  -4.642  -2.292
  142    H    TYR  18           H        TYR  18   1.629  -0.953  -1.839
  143    HA   TYR  18           HA       TYR  18   0.601  -3.295  -0.281
  144    HB2  TYR  18           HB2      TYR  18  -0.910  -1.495  -2.206
  145    HB3  TYR  18           HB3      TYR  18  -1.561  -2.857  -1.280
  146    HD1  TYR  18           HD1      TYR  18  -0.606   0.672  -1.188
  147    HD2  TYR  18           HD2      TYR  18  -1.752  -2.718   1.222
  148    HE1  TYR  18           HE1      TYR  18  -1.031   2.192   0.734
  149    HE2  TYR  18           HE2      TYR  18  -2.168  -1.201   3.154
  150    HH   TYR  18           HH       TYR  18  -1.978   0.925   3.955
  151    H    PHE  19           H        PHE  19   0.299  -5.189  -1.325
  152    HA   PHE  19           HA       PHE  19   1.126  -5.452  -4.184
  153    HB2  PHE  19           HB2      PHE  19   3.089  -5.838  -2.853
  154    HB3  PHE  19           HB3      PHE  19   2.208  -6.965  -1.805
  155    HD1  PHE  19           HD1      PHE  19   3.251  -6.389  -5.321
  156    HD2  PHE  19           HD2      PHE  19   2.075  -9.325  -2.389
  157    HE1  PHE  19           HE1      PHE  19   3.753  -8.169  -6.929
  158    HE2  PHE  19           HE2      PHE  19   2.666 -11.134  -3.981
  159    HZ   PHE  19           HZ       PHE  19   3.496 -10.577  -6.261
  160    H    ASN  20           H        ASN  20  -0.006  -6.859  -5.397
  161    HA   ASN  20           HA       ASN  20  -2.201  -8.355  -4.068
  162    HB2  ASN  20           HB2      ASN  20  -2.650  -6.730  -5.940
  163    HB3  ASN  20           HB3      ASN  20  -1.813  -7.851  -7.030
  164   HD21  ASN  20          HD21      ASN  20  -4.815  -6.956  -6.167
  165   HD22  ASN  20          HD22      ASN  20  -5.651  -8.496  -6.283
  166    H    HIS  21           H        HIS  21  -1.787 -10.418  -3.538
  167    HA   HIS  21           HA       HIS  21   0.491 -11.841  -4.627
  168    HB2  HIS  21           HB2      HIS  21   0.159 -13.355  -2.961
  169    HB3  HIS  21           HB3      HIS  21  -0.578 -11.925  -2.244
  170    HD2  HIS  21           HD2      HIS  21  -3.135 -12.129  -1.547
  171    HE1  HIS  21           HE1      HIS  21  -3.829 -16.109  -2.901
  172    HE2  HIS  21           HE2      HIS  21  -4.785 -14.180  -1.544
  173    H    ILE  22           H        ILE  22  -2.837 -11.708  -5.613
  174    HA   ILE  22           HA       ILE  22  -2.841 -14.289  -7.021
  175    HB   ILE  22           HB       ILE  22  -4.860 -12.003  -6.955
  176   HG12  ILE  22          HG12      ILE  22  -4.770 -14.607  -5.348
  177   HG13  ILE  22          HG13      ILE  22  -4.460 -12.986  -4.707
  178   HG21  ILE  22          HG21      ILE  22  -5.158 -13.440  -8.936
  179   HG22  ILE  22          HG22      ILE  22  -5.184 -14.884  -7.896
  180   HG23  ILE  22          HG23      ILE  22  -6.478 -13.664  -7.804
  181   HD11  ILE  22          HD11      ILE  22  -7.118 -14.077  -5.645
  182   HD12  ILE  22          HD12      ILE  22  -6.632 -13.535  -4.028
  183   HD13  ILE  22          HD13      ILE  22  -6.818 -12.347  -5.336
  184    H    THR  23           H        THR  23  -2.693 -10.835  -7.797
  185    HA   THR  23           HA       THR  23  -2.395 -11.418 -10.688
  186    HB   THR  23           HB       THR  23  -3.321  -9.351 -11.186
  187    HG1  THR  23           HG1      THR  23  -3.884  -8.109  -9.099
  188   HG21  THR  23          HG21      THR  23  -4.864 -10.150  -8.675
  189   HG22  THR  23          HG22      THR  23  -5.462  -9.271 -10.095
  190   HG23  THR  23          HG23      THR  23  -5.008 -10.975 -10.244
  191    H    ASN  24           H        ASN  24  -0.348 -10.597  -8.202
  192    HA   ASN  24           HA       ASN  24   1.715  -9.834  -7.990
  193    HB2  ASN  24           HB2      ASN  24   2.014 -10.388 -10.959
  194    HB3  ASN  24           HB3      ASN  24   3.337 -10.084  -9.824
  195   HD21  ASN  24          HD21      ASN  24   1.674 -12.554 -11.317
  196   HD22  ASN  24          HD22      ASN  24   2.065 -13.825 -10.153
  197    H    ALA  25           H        ALA  25  -0.511  -7.892  -8.960
  198    HA   ALA  25           HA       ALA  25   0.922  -5.587  -9.958
  199    HB1  ALA  25           HB1      ALA  25  -1.517  -5.910 -10.232
  200    HB2  ALA  25           HB2      ALA  25  -1.731  -5.802  -8.470
  201    HB3  ALA  25           HB3      ALA  25  -1.150  -4.395  -9.384
  202    H    SER  26           H        SER  26   1.471  -3.664  -8.809
  203    HA   SER  26           HA       SER  26   1.560  -3.757  -5.859
  204    HB2  SER  26           HB2      SER  26   3.859  -2.953  -5.749
  205    HB3  SER  26           HB3      SER  26   3.758  -4.577  -6.433
  206    HG   SER  26           HG       SER  26   4.092  -3.737  -8.467
  207    H    GLN  27           H        GLN  27   1.444  -1.743  -4.853
  208    HA   GLN  27           HA       GLN  27   1.397   0.735  -6.431
  209    HB2  GLN  27           HB2      GLN  27  -0.775  -0.231  -6.965
  210    HB3  GLN  27           HB3      GLN  27  -1.101  -0.530  -5.261
  211    HG2  GLN  27           HG2      GLN  27  -2.423   1.304  -6.029
  212    HG3  GLN  27           HG3      GLN  27  -1.266   1.876  -4.847
  213   HE21  GLN  27          HE21      GLN  27  -2.687   2.766  -7.712
  214   HE22  GLN  27          HE22      GLN  27  -1.393   3.808  -8.314
  215    H    PHE  28           H        PHE  28   1.504   2.581  -5.224
  216    HA   PHE  28           HA       PHE  28   2.240   2.286  -2.370
  217    HB2  PHE  28           HB2      PHE  28   2.523   4.573  -4.329
  218    HB3  PHE  28           HB3      PHE  28   2.880   4.712  -2.605
  219    HD1  PHE  28           HD1      PHE  28   4.784   3.493  -1.559
  220    HD2  PHE  28           HD2      PHE  28   4.046   3.377  -5.811
  221    HE1  PHE  28           HE1      PHE  28   7.106   2.703  -1.949
  222    HE2  PHE  28           HE2      PHE  28   6.368   2.581  -6.191
  223    HZ   PHE  28           HZ       PHE  28   7.903   2.257  -4.262
  224    H    GLU  29           H        GLU  29  -0.269   3.910  -4.228
  225    HA   GLU  29           HA       GLU  29  -1.596   5.123  -1.940
  226    HB2  GLU  29           HB2      GLU  29  -2.602   4.446  -4.736
  227    HB3  GLU  29           HB3      GLU  29  -3.493   5.380  -3.521
  228    HG2  GLU  29           HG2      GLU  29  -1.615   7.039  -3.467
  229    HG3  GLU  29           HG3      GLU  29  -0.831   6.158  -4.783
  230    H    ARG  30           H        ARG  30  -3.544   4.458  -0.933
  231    HA   ARG  30           HA       ARG  30  -3.671   1.702  -0.238
  232    HB2  ARG  30           HB2      ARG  30  -4.809   4.146   0.662
  233    HB3  ARG  30           HB3      ARG  30  -6.183   3.118   0.302
  234    HG2  ARG  30           HG2      ARG  30  -3.912   2.622   2.234
  235    HG3  ARG  30           HG3      ARG  30  -5.613   2.907   2.616
  236    HD2  ARG  30           HD2      ARG  30  -4.451   0.417   1.305
  237    HD3  ARG  30           HD3      ARG  30  -4.978   0.577   2.964
  238    HE   ARG  30           HE       ARG  30  -6.806   0.732   0.569
  239   HH11  ARG  30          HH11      ARG  30  -8.659  -0.333   0.641
  240   HH12  ARG  30          HH12      ARG  30  -9.152  -1.180   2.108
  241   HH21  ARG  30          HH21      ARG  30  -6.408  -0.310   3.922
  242   HH22  ARG  30          HH22      ARG  30  -7.889  -1.251   3.819
  243    HA   PRO  31           HA       PRO  31  -6.171   0.260  -3.753
  244    HB2  PRO  31           HB2      PRO  31  -6.317  -2.169  -1.972
  245    HB3  PRO  31           HB3      PRO  31  -6.049  -2.091  -3.743
  246    HG2  PRO  31           HG2      PRO  31  -3.960  -2.499  -2.087
  247    HG3  PRO  31           HG3      PRO  31  -3.797  -1.302  -3.418
  248    HD2  PRO  31           HD2      PRO  31  -4.438  -0.793  -0.498
  249    HD3  PRO  31           HD3      PRO  31  -3.254   0.025  -1.553
  250    H    SER  32           H        SER  32  -8.396  -0.346  -4.122
  251    HA   SER  32           HA       SER  32 -10.331  -0.547  -1.950
  252    HB2  SER  32           HB2      SER  32 -10.134   1.984  -3.614
  253    HB3  SER  32           HB3      SER  32 -11.656   1.466  -2.866
  254    HG   SER  32           HG       SER  32  -9.282   1.592  -1.356
  255    H    GLY  33           H        GLY  33 -12.454  -1.055  -2.650
  256    HA2  GLY  33           HA2      GLY  33 -13.356  -1.329  -5.335
  257    HA3  GLY  33           HA3      GLY  33 -12.632  -2.863  -4.845
  258    H1'  ALL 101           H1       ALL  34  11.889   2.045  -0.508
  259    H2'  ALL 101           H2       ALL  34  13.555   4.257  -1.827
  260    H3'  ALL 101           H3       ALL  34  11.568   4.855  -3.103
  261    H4'  ALL 101           H4       ALL  34  13.026   3.249  -4.193
  262    H5'  ALL 101           H5       ALL  34  11.434   1.044  -2.813
  263   H6'1  ALL 101          H62       ALL  34  12.307   0.356  -5.029
  264   H6'2  ALL 101          H61       ALL  34  13.124  -0.498  -3.707
  265   HO'2  ALL 101          H2O       ALL  34  11.540   4.296   0.185
  266   HO'3  ALL 101          H3O       ALL  34   9.922   4.185  -1.721
  267   HO'4  ALL 101          H4O       ALL  34  10.239   2.787  -4.275
  268   HO'6  ALL 101          H6O       ALL  34  14.628   0.292  -5.254
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -10.747  -5.457   6.313
    2    H2   LYS   1           H2       LYS   1 -10.541  -6.102   4.823
    3    H3   LYS   1           H3       LYS   1 -11.281  -4.651   4.997
    4    HA   LYS   1           HA       LYS   1  -9.322  -3.622   5.822
    5    HB2  LYS   1           HB2      LYS   1  -7.122  -4.817   5.642
    6    HB3  LYS   1           HB3      LYS   1  -8.165  -5.233   6.990
    7    HG2  LYS   1           HG2      LYS   1  -8.808  -7.338   5.988
    8    HG3  LYS   1           HG3      LYS   1  -7.952  -6.972   4.488
    9    HD2  LYS   1           HD2      LYS   1  -6.568  -7.203   7.191
   10    HD3  LYS   1           HD3      LYS   1  -6.789  -8.555   6.072
   11    HE2  LYS   1           HE2      LYS   1  -5.553  -7.331   4.308
   12    HE3  LYS   1           HE3      LYS   1  -5.285  -5.979   5.419
   13    HZ1  LYS   1           HZ1      LYS   1  -3.989  -7.439   6.827
   14    HZ2  LYS   1           HZ2      LYS   1  -4.326  -8.746   5.901
   15    HZ3  LYS   1           HZ3      LYS   1  -3.396  -7.552   5.300
   16    H    LEU   2           H        LEU   2  -8.659  -5.943   3.137
   17    HA   LEU   2           HA       LEU   2  -8.229  -3.603   1.342
   18    HB2  LEU   2           HB2      LEU   2  -6.518  -6.062   1.840
   19    HB3  LEU   2           HB3      LEU   2  -6.340  -5.082   0.387
   20    HG   LEU   2           HG       LEU   2  -6.038  -3.892   3.169
   21   HD11  LEU   2          HD11      LEU   2  -4.353  -5.668   2.817
   22   HD12  LEU   2          HD12      LEU   2  -3.880  -4.909   1.280
   23   HD13  LEU   2          HD13      LEU   2  -3.618  -4.056   2.819
   24   HD21  LEU   2          HD21      LEU   2  -6.462  -2.260   1.343
   25   HD22  LEU   2          HD22      LEU   2  -4.800  -2.137   1.923
   26   HD23  LEU   2          HD23      LEU   2  -5.146  -2.979   0.395
   27    HA   PRO   3           HA       PRO   3 -10.679  -5.739  -1.657
   28    HB2  PRO   3           HB2      PRO   3  -8.836  -5.072  -3.882
   29    HB3  PRO   3           HB3      PRO   3 -10.509  -4.522  -3.595
   30    HG2  PRO   3           HG2      PRO   3  -8.324  -2.880  -3.296
   31    HG3  PRO   3           HG3      PRO   3  -9.804  -2.721  -2.288
   32    HD2  PRO   3           HD2      PRO   3  -7.202  -4.090  -1.595
   33    HD3  PRO   3           HD3      PRO   3  -8.204  -2.978  -0.618
   34    HA   PRO   4           HA       PRO   4  -9.458  -9.807  -2.523
   35    HB2  PRO   4           HB2      PRO   4  -9.906  -9.426  -5.493
   36    HB3  PRO   4           HB3      PRO   4 -10.431 -10.777  -4.436
   37    HG2  PRO   4           HG2      PRO   4 -12.184  -8.825  -5.065
   38    HG3  PRO   4           HG3      PRO   4 -12.071  -9.385  -3.362
   39    HD2  PRO   4           HD2      PRO   4 -10.836  -6.922  -4.621
   40    HD3  PRO   4           HD3      PRO   4 -11.695  -7.088  -3.058
   41    H    GLY   5           H        GLY   5  -7.528 -10.632  -2.336
   42    HA2  GLY   5           HA2      GLY   5  -5.450 -11.456  -2.901
   43    HA3  GLY   5           HA3      GLY   5  -5.493 -10.552  -4.424
   44    H    TRP   6           H        TRP   6  -6.035  -8.020  -2.536
   45    HA   TRP   6           HA       TRP   6  -3.244  -7.216  -2.505
   46    HB2  TRP   6           HB2      TRP   6  -5.768  -5.843  -1.609
   47    HB3  TRP   6           HB3      TRP   6  -4.162  -5.113  -1.484
   48    HD1  TRP   6           HD1      TRP   6  -6.850  -6.007  -3.982
   49    HE1  TRP   6           HE1      TRP   6  -6.363  -4.944  -6.268
   50    HE3  TRP   6           HE3      TRP   6  -2.084  -4.375  -3.095
   51    HZ2  TRP   6           HZ2      TRP   6  -4.097  -3.817  -7.618
   52    HZ3  TRP   6           HZ3      TRP   6  -0.777  -3.287  -4.917
   53    HH2  TRP   6           HH2      TRP   6  -1.753  -3.035  -7.182
   54    H    GLU   7           H        GLU   7  -1.815  -7.008  -0.918
   55    HA   GLU   7           HA       GLU   7  -2.610  -6.957   1.908
   56    HB2  GLU   7           HB2      GLU   7  -2.383  -9.318   1.569
   57    HB3  GLU   7           HB3      GLU   7  -0.895  -9.116   0.662
   58    HG2  GLU   7           HG2      GLU   7  -0.477 -10.106   2.813
   59    HG3  GLU   7           HG3      GLU   7   0.345  -8.568   2.656
   60    H    LYS   8           H        LYS   8  -0.992  -6.127   3.308
   61    HA   LYS   8           HA       LYS   8   0.675  -4.069   2.192
   62    HB2  LYS   8           HB2      LYS   8   0.364  -5.186   4.981
   63    HB3  LYS   8           HB3      LYS   8   1.658  -4.040   4.597
   64    HG2  LYS   8           HG2      LYS   8   0.017  -2.427   3.696
   65    HG3  LYS   8           HG3      LYS   8  -1.292  -3.555   4.057
   66    HD2  LYS   8           HD2      LYS   8  -1.260  -1.911   5.795
   67    HD3  LYS   8           HD3      LYS   8  -0.645  -3.413   6.504
   68    HE2  LYS   8           HE2      LYS   8   1.695  -2.570   6.192
   69    HE3  LYS   8           HE3      LYS   8   1.054  -1.089   5.471
   70    HZ1  LYS   8           HZ1      LYS   8   0.541  -1.986   8.257
   71    HZ2  LYS   8           HZ2      LYS   8   1.561  -0.788   7.826
   72    HZ3  LYS   8           HZ3      LYS   8  -0.044  -0.612   7.591
   73    H    ARG   9           H        ARG   9   2.764  -3.734   2.030
   74    HA   ARG   9           HA       ARG   9   4.741  -5.917   2.331
   75    HB2  ARG   9           HB2      ARG   9   3.444  -5.722  -0.046
   76    HB3  ARG   9           HB3      ARG   9   4.563  -4.407  -0.297
   77    HG2  ARG   9           HG2      ARG   9   5.291  -6.539  -1.279
   78    HG3  ARG   9           HG3      ARG   9   6.467  -5.939  -0.097
   79    HD2  ARG   9           HD2      ARG   9   6.019  -8.437  -0.052
   80    HD3  ARG   9           HD3      ARG   9   5.910  -7.594   1.495
   81    HE   ARG   9           HE       ARG   9   3.494  -7.690   1.413
   82   HH11  ARG   9          HH11      ARG   9   1.794  -8.987   1.289
   83   HH12  ARG   9          HH12      ARG   9   1.826 -10.428   0.303
   84   HH21  ARG   9          HH21      ARG   9   5.007  -9.892  -0.877
   85   HH22  ARG   9          HH22      ARG   9   3.613 -10.938  -0.886
   86    H    MET  10           H        MET  10   7.015  -5.086   1.960
   87    HA   MET  10           HA       MET  10   7.345  -2.200   2.102
   88    HB2  MET  10           HB2      MET  10   8.449  -2.125   4.289
   89    HB3  MET  10           HB3      MET  10   6.741  -2.576   4.399
   90    HG2  MET  10           HG2      MET  10   7.391  -4.959   4.665
   91    HG3  MET  10           HG3      MET  10   9.089  -4.503   4.543
   92    HE1  MET  10           HE1      MET  10   5.860  -4.546   6.712
   93    HE2  MET  10           HE2      MET  10   6.312  -3.598   8.145
   94    HE3  MET  10           HE3      MET  10   6.060  -2.782   6.590
   95    H    PHE  11           H        PHE  11   9.240  -1.426   1.641
   96    HA   PHE  11           HA       PHE  11  11.298  -3.111   0.468
   97    HB2  PHE  11           HB2      PHE  11  10.949  -0.124   0.766
   98    HB3  PHE  11           HB3      PHE  11  12.376  -0.860   0.025
   99    HD1  PHE  11           HD1      PHE  11   9.045   0.343  -0.614
  100    HD2  PHE  11           HD2      PHE  11  12.012  -2.505  -1.948
  101    HE1  PHE  11           HE1      PHE  11   7.914   0.172  -2.810
  102    HE2  PHE  11           HE2      PHE  11  10.872  -2.651  -4.152
  103    HZ   PHE  11           HZ       PHE  11   8.825  -1.304  -4.585
  104    H    ALA  12           H        ALA  12  13.570  -3.023   0.935
  105    HA   ALA  12           HA       ALA  12  14.220  -3.466   3.664
  106    HB1  ALA  12           HB1      ALA  12  16.529  -3.621   2.807
  107    HB2  ALA  12           HB2      ALA  12  15.395  -4.470   1.740
  108    HB3  ALA  12           HB3      ALA  12  16.026  -2.871   1.277
  109    H    ASN  13           H        ASN  13  14.150  -0.466   1.887
  110    HA   ASN  13           HA       ASN  13  15.783   1.055   3.783
  111    HB2  ASN  13           HB2      ASN  13  15.161   2.983   2.388
  112    HB3  ASN  13           HB3      ASN  13  15.780   1.633   1.426
  113   HD21  ASN  13          HD21      ASN  13  14.788   2.675  -0.399
  114    H    GLY  14           H        GLY  14  12.703  -0.201   4.139
  115    HA2  GLY  14           HA2      GLY  14  11.299   0.132   5.972
  116    HA3  GLY  14           HA3      GLY  14  12.028   1.717   6.291
  117    H    THR  15           H        THR  15  10.953   1.110   3.011
  118    HA   THR  15           HA       THR  15   8.691   3.017   3.351
  119    HB   THR  15           HB       THR  15   9.868   1.844   0.816
  120    HG1  THR  15           HG1      THR  15  11.343   3.072   1.745
  121   HG21  THR  15          HG21      THR  15   7.689   2.543   0.277
  122   HG22  THR  15          HG22      THR  15   7.797   4.005   1.300
  123   HG23  THR  15          HG23      THR  15   8.730   3.888  -0.203
  124    H    VAL  16           H        VAL  16   6.591   2.424   3.322
  125    HA   VAL  16           HA       VAL  16   5.890  -0.443   2.943
  126    HB   VAL  16           HB       VAL  16   4.369   1.906   4.130
  127   HG11  VAL  16          HG11      VAL  16   3.496  -1.010   3.939
  128   HG12  VAL  16          HG12      VAL  16   2.709   0.248   4.917
  129   HG13  VAL  16          HG13      VAL  16   2.703   0.383   3.165
  130   HG21  VAL  16          HG21      VAL  16   6.198   1.042   5.563
  131   HG22  VAL  16          HG22      VAL  16   4.614   0.650   6.246
  132   HG23  VAL  16          HG23      VAL  16   5.544  -0.604   5.404
  133    H    TYR  17           H        TYR  17   4.430  -1.172   1.505
  134    HA   TYR  17           HA       TYR  17   2.870   0.568  -0.260
  135    HB2  TYR  17           HB2      TYR  17   3.752  -0.277  -2.323
  136    HB3  TYR  17           HB3      TYR  17   5.065   0.412  -1.420
  137    HD1  TYR  17           HD1      TYR  17   6.696  -1.174  -0.187
  138    HD2  TYR  17           HD2      TYR  17   3.892  -2.493  -3.196
  139    HE1  TYR  17           HE1      TYR  17   8.133  -3.152  -0.686
  140    HE2  TYR  17           HE2      TYR  17   5.318  -4.461  -3.670
  141    HH   TYR  17           HH       TYR  17   7.313  -5.492  -3.249
  142    H    TYR  18           H        TYR  18   1.870  -1.263  -1.969
  143    HA   TYR  18           HA       TYR  18   0.822  -3.526  -0.318
  144    HB2  TYR  18           HB2      TYR  18  -0.748  -1.729  -2.206
  145    HB3  TYR  18           HB3      TYR  18  -1.374  -3.098  -1.274
  146    HD1  TYR  18           HD1      TYR  18  -1.894  -2.895   1.097
  147    HD2  TYR  18           HD2      TYR  18  -0.110   0.385  -1.068
  148    HE1  TYR  18           HE1      TYR  18  -2.376  -1.360   3.006
  149    HE2  TYR  18           HE2      TYR  18  -0.538   1.897   0.848
  150    HH   TYR  18           HH       TYR  18  -1.372   2.069   2.973
  151    H    PHE  19           H        PHE  19   0.446  -5.415  -1.372
  152    HA   PHE  19           HA       PHE  19   1.205  -5.665  -4.252
  153    HB2  PHE  19           HB2      PHE  19   3.176  -6.150  -2.953
  154    HB3  PHE  19           HB3      PHE  19   2.270  -7.273  -1.924
  155    HD1  PHE  19           HD1      PHE  19   3.317  -6.634  -5.434
  156    HD2  PHE  19           HD2      PHE  19   1.985  -9.599  -2.600
  157    HE1  PHE  19           HE1      PHE  19   3.718  -8.390  -7.103
  158    HE2  PHE  19           HE2      PHE  19   2.471 -11.385  -4.255
  159    HZ   PHE  19           HZ       PHE  19   3.329 -10.797  -6.516
  160    H    ASN  20           H        ASN  20  -0.010  -7.006  -5.458
  161    HA   ASN  20           HA       ASN  20  -2.247  -8.414  -4.107
  162    HB2  ASN  20           HB2      ASN  20  -2.648  -6.748  -5.955
  163    HB3  ASN  20           HB3      ASN  20  -1.891  -7.900  -7.071
  164   HD21  ASN  20          HD21      ASN  20  -4.822  -6.865  -6.120
  165   HD22  ASN  20          HD22      ASN  20  -5.741  -8.359  -6.184
  166    H    HIS  21           H        HIS  21  -1.936 -10.503  -3.613
  167    HA   HIS  21           HA       HIS  21   0.251 -12.026  -4.751
  168    HB2  HIS  21           HB2      HIS  21  -0.130 -13.539  -3.096
  169    HB3  HIS  21           HB3      HIS  21  -0.792 -12.083  -2.353
  170    HD2  HIS  21           HD2      HIS  21  -3.347 -12.178  -1.627
  171    HE1  HIS  21           HE1      HIS  21  -4.242 -16.105  -3.019
  172    HE2  HIS  21           HE2      HIS  21  -5.091 -14.150  -1.628
  173    H    ILE  22           H        ILE  22  -3.080 -11.713  -5.687
  174    HA   ILE  22           HA       ILE  22  -3.227 -14.271  -7.133
  175    HB   ILE  22           HB       ILE  22  -5.137 -11.896  -6.993
  176   HG12  ILE  22          HG12      ILE  22  -5.149 -14.536  -5.445
  177   HG13  ILE  22          HG13      ILE  22  -4.752 -12.946  -4.772
  178   HG21  ILE  22          HG21      ILE  22  -5.608 -14.737  -7.991
  179   HG22  ILE  22          HG22      ILE  22  -6.841 -13.461  -7.853
  180   HG23  ILE  22          HG23      ILE  22  -5.530 -13.273  -8.999
  181   HD11  ILE  22          HD11      ILE  22  -7.470 -13.893  -5.691
  182   HD12  ILE  22          HD12      ILE  22  -6.937 -13.398  -4.074
  183   HD13  ILE  22          HD13      ILE  22  -7.086 -12.184  -5.362
  184    H    THR  23           H        THR  23  -2.931 -10.814  -7.853
  185    HA   THR  23           HA       THR  23  -2.710 -11.362 -10.758
  186    HB   THR  23           HB       THR  23  -3.557  -9.254 -11.209
  187    HG1  THR  23           HG1      THR  23  -4.021  -8.015  -9.094
  188   HG21  THR  23          HG21      THR  23  -5.668  -9.091 -10.072
  189   HG22  THR  23          HG22      THR  23  -5.294 -10.812 -10.247
  190   HG23  THR  23          HG23      THR  23  -5.081 -10.011  -8.674
  191    H    ASN  24           H        ASN  24  -0.582 -10.680  -8.300
  192    HA   ASN  24           HA       ASN  24   1.517 -10.013  -8.117
  193    HB2  ASN  24           HB2      ASN  24   1.734 -10.532 -11.099
  194    HB3  ASN  24           HB3      ASN  24   3.091 -10.311  -9.985
  195   HD21  ASN  24          HD21      ASN  24   1.339 -12.679 -11.507
  196   HD22  ASN  24          HD22      ASN  24   1.670 -13.984 -10.362
  197    H    ALA  25           H        ALA  25  -0.631  -7.954  -8.998
  198    HA   ALA  25           HA       ALA  25   0.890  -5.710 -10.008
  199    HB1  ALA  25           HB1      ALA  25  -1.561  -5.924 -10.259
  200    HB2  ALA  25           HB2      ALA  25  -1.754  -5.819  -8.494
  201    HB3  ALA  25           HB3      ALA  25  -1.122  -4.432  -9.405
  202    H    SER  26           H        SER  26   1.547  -3.832  -8.871
  203    HA   SER  26           HA       SER  26   1.703  -3.936  -5.914
  204    HB2  SER  26           HB2      SER  26   4.026  -3.098  -5.952
  205    HB3  SER  26           HB3      SER  26   3.860  -4.751  -6.543
  206    HG   SER  26           HG       SER  26   4.060  -2.423  -8.179
  207    H    GLN  27           H        GLN  27   1.516  -1.970  -4.891
  208    HA   GLN  27           HA       GLN  27   1.392   0.542  -6.450
  209    HB2  GLN  27           HB2      GLN  27  -0.756  -0.409  -6.908
  210    HB3  GLN  27           HB3      GLN  27  -1.011  -0.837  -5.207
  211    HG2  GLN  27           HG2      GLN  27  -1.209   1.461  -4.569
  212    HG3  GLN  27           HG3      GLN  27  -0.786   2.023  -6.193
  213   HE21  GLN  27          HE21      GLN  27  -3.345   1.787  -4.194
  214   HE22  GLN  27          HE22      GLN  27  -4.620   1.598  -5.416
  215    H    PHE  28           H        PHE  28   1.560   2.380  -5.244
  216    HA   PHE  28           HA       PHE  28   2.481   2.053  -2.477
  217    HB2  PHE  28           HB2      PHE  28   2.591   4.356  -4.409
  218    HB3  PHE  28           HB3      PHE  28   3.005   4.526  -2.700
  219    HD1  PHE  28           HD1      PHE  28   4.115   3.192  -5.929
  220    HD2  PHE  28           HD2      PHE  28   4.935   3.325  -1.694
  221    HE1  PHE  28           HE1      PHE  28   6.432   2.403  -6.352
  222    HE2  PHE  28           HE2      PHE  28   7.255   2.548  -2.125
  223    HZ   PHE  28           HZ       PHE  28   8.007   2.086  -4.455
  224    H    GLU  29           H        GLU  29  -0.291   3.654  -3.961
  225    HA   GLU  29           HA       GLU  29  -1.206   4.769  -1.398
  226    HB2  GLU  29           HB2      GLU  29  -2.498   4.681  -4.151
  227    HB3  GLU  29           HB3      GLU  29  -3.177   5.486  -2.724
  228    HG2  GLU  29           HG2      GLU  29  -1.116   6.896  -2.571
  229    HG3  GLU  29           HG3      GLU  29  -0.529   6.170  -4.071
  230    H    ARG  30           H        ARG  30  -3.003   4.142  -0.222
  231    HA   ARG  30           HA       ARG  30  -3.421   1.401   0.178
  232    HB2  ARG  30           HB2      ARG  30  -3.678   3.038   1.870
  233    HB3  ARG  30           HB3      ARG  30  -5.033   3.805   1.061
  234    HG2  ARG  30           HG2      ARG  30  -5.238   0.872   1.802
  235    HG3  ARG  30           HG3      ARG  30  -5.322   2.087   3.086
  236    HD2  ARG  30           HD2      ARG  30  -7.448   2.571   2.648
  237    HD3  ARG  30           HD3      ARG  30  -7.075   2.967   0.980
  238    HE   ARG  30           HE       ARG  30  -7.814   0.888   0.269
  239   HH11  ARG  30          HH11      ARG  30  -8.905  -0.932   0.388
  240   HH12  ARG  30          HH12      ARG  30  -9.228  -1.689   1.959
  241   HH21  ARG  30          HH21      ARG  30  -7.598   0.660   3.787
  242   HH22  ARG  30          HH22      ARG  30  -8.457  -0.873   3.757
  243    HA   PRO  31           HA       PRO  31  -5.784   0.624  -3.503
  244    HB2  PRO  31           HB2      PRO  31  -6.211  -2.060  -2.181
  245    HB3  PRO  31           HB3      PRO  31  -5.796  -1.703  -3.888
  246    HG2  PRO  31           HG2      PRO  31  -3.872  -2.459  -2.153
  247    HG3  PRO  31           HG3      PRO  31  -3.561  -1.084  -3.267
  248    HD2  PRO  31           HD2      PRO  31  -4.349  -1.002  -0.344
  249    HD3  PRO  31           HD3      PRO  31  -3.131  -0.052  -1.232
  250    H    SER  32           H        SER  32  -7.803   1.100  -4.111
  251    HA   SER  32           HA       SER  32 -10.023   1.094  -2.151
  252    HB2  SER  32           HB2      SER  32  -9.761   2.234  -4.953
  253    HB3  SER  32           HB3      SER  32 -11.247   2.288  -3.987
  254    HG   SER  32           HG       SER  32  -8.727   3.333  -3.179
  255    H    GLY  33           H        GLY  33 -12.003   0.097  -2.441
  256    HA2  GLY  33           HA2      GLY  33 -12.763  -1.573  -4.661
  257    HA3  GLY  33           HA3      GLY  33 -12.103  -2.561  -3.356
  258    H1'  ALL 101           H1       ALL  34  11.885   2.041  -0.629
  259    H2'  ALL 101           H2       ALL  34  13.493   4.227  -2.063
  260    H3'  ALL 101           H3       ALL  34  11.386   4.773  -3.221
  261    H4'  ALL 101           H4       ALL  34  12.884   3.198  -4.341
  262    H5'  ALL 101           H5       ALL  34  11.399   0.956  -2.904
  263   H6'1  ALL 101          H62       ALL  34  12.396   0.450  -5.232
  264   H6'2  ALL 101          H61       ALL  34  12.960  -0.562  -3.888
  265   HO'2  ALL 101          H2O       ALL  34  11.379   4.405  -0.129
  266   HO'3  ALL 101          H3O       ALL  34   9.688   3.107  -3.008
  267   HO'4  ALL 101          H4O       ALL  34  10.912   3.472  -5.387
  268   HO'6  ALL 101          H6O       ALL  34  14.712   0.999  -3.658
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -11.251  -4.745   4.817
    2    H2   LYS   1           H2       LYS   1 -10.801  -4.587   6.380
    3    H3   LYS   1           H3       LYS   1  -9.790  -5.298   5.310
    4    HA   LYS   1           HA       LYS   1 -10.655  -2.482   5.276
    5    HB2  LYS   1           HB2      LYS   1  -9.092  -2.966   7.125
    6    HB3  LYS   1           HB3      LYS   1  -7.909  -3.597   5.976
    7    HG2  LYS   1           HG2      LYS   1  -7.854  -1.316   4.871
    8    HG3  LYS   1           HG3      LYS   1  -8.973  -0.739   6.119
    9    HD2  LYS   1           HD2      LYS   1  -7.283  -1.321   7.872
   10    HD3  LYS   1           HD3      LYS   1  -6.203  -1.933   6.613
   11    HE2  LYS   1           HE2      LYS   1  -5.434   0.248   7.203
   12    HE3  LYS   1           HE3      LYS   1  -6.127   0.340   5.582
   13    HZ1  LYS   1           HZ1      LYS   1  -6.846   2.192   6.990
   14    HZ2  LYS   1           HZ2      LYS   1  -8.147   1.291   6.592
   15    HZ3  LYS   1           HZ3      LYS   1  -7.496   1.179   8.088
   16    H    LEU   2           H        LEU   2  -7.874  -4.332   3.917
   17    HA   LEU   2           HA       LEU   2  -7.784  -2.812   1.489
   18    HB2  LEU   2           HB2      LEU   2  -6.566  -5.402   2.497
   19    HB3  LEU   2           HB3      LEU   2  -6.408  -4.967   0.795
   20    HG   LEU   2           HG       LEU   2  -5.227  -2.917   1.318
   21   HD11  LEU   2          HD11      LEU   2  -6.142  -2.273   3.491
   22   HD12  LEU   2          HD12      LEU   2  -5.452  -3.735   4.247
   23   HD13  LEU   2          HD13      LEU   2  -4.393  -2.460   3.603
   24   HD21  LEU   2          HD21      LEU   2  -3.934  -4.944   1.023
   25   HD22  LEU   2          HD22      LEU   2  -3.186  -4.003   2.325
   26   HD23  LEU   2          HD23      LEU   2  -4.177  -5.410   2.724
   27    HA   PRO   3           HA       PRO   3 -10.764  -4.992  -1.068
   28    HB2  PRO   3           HB2      PRO   3  -9.657  -4.760  -3.577
   29    HB3  PRO   3           HB3      PRO   3 -10.411  -3.400  -2.689
   30    HG2  PRO   3           HG2      PRO   3  -7.470  -4.121  -2.845
   31    HG3  PRO   3           HG3      PRO   3  -8.224  -2.521  -3.108
   32    HD2  PRO   3           HD2      PRO   3  -7.110  -3.224  -0.731
   33    HD3  PRO   3           HD3      PRO   3  -8.593  -2.223  -0.791
   34    HA   PRO   4           HA       PRO   4  -9.629  -9.187  -1.379
   35    HB2  PRO   4           HB2      PRO   4 -10.745  -9.286  -4.187
   36    HB3  PRO   4           HB3      PRO   4 -11.036 -10.403  -2.816
   37    HG2  PRO   4           HG2      PRO   4 -12.871  -8.512  -3.418
   38    HG3  PRO   4           HG3      PRO   4 -12.413  -8.783  -1.701
   39    HD2  PRO   4           HD2      PRO   4 -11.432  -6.626  -3.592
   40    HD3  PRO   4           HD3      PRO   4 -11.977  -6.487  -1.891
   41    H    GLY   5           H        GLY   5  -7.859 -10.371  -1.774
   42    HA2  GLY   5           HA2      GLY   5  -6.019 -11.291  -2.818
   43    HA3  GLY   5           HA3      GLY   5  -6.387 -10.352  -4.280
   44    H    TRP   6           H        TRP   6  -6.283  -7.880  -2.278
   45    HA   TRP   6           HA       TRP   6  -3.404  -7.355  -2.627
   46    HB2  TRP   6           HB2      TRP   6  -5.720  -5.608  -1.773
   47    HB3  TRP   6           HB3      TRP   6  -4.034  -5.085  -1.780
   48    HD1  TRP   6           HD1      TRP   6  -6.826  -6.077  -4.202
   49    HE1  TRP   6           HE1      TRP   6  -6.271  -5.236  -6.565
   50    HE3  TRP   6           HE3      TRP   6  -2.024  -4.545  -3.385
   51    HZ2  TRP   6           HZ2      TRP   6  -3.982  -4.141  -7.949
   52    HZ3  TRP   6           HZ3      TRP   6  -0.642  -3.681  -5.266
   53    HH2  TRP   6           HH2      TRP   6  -1.611  -3.458  -7.539
   54    H    GLU   7           H        GLU   7  -1.926  -6.996  -1.066
   55    HA   GLU   7           HA       GLU   7  -2.638  -7.055   1.798
   56    HB2  GLU   7           HB2      GLU   7  -2.380  -9.377   1.357
   57    HB3  GLU   7           HB3      GLU   7  -0.982  -9.113   0.333
   58    HG2  GLU   7           HG2      GLU   7  -0.359 -10.203   2.378
   59    HG3  GLU   7           HG3      GLU   7   0.435  -8.652   2.218
   60    H    LYS   8           H        LYS   8  -1.001  -6.219   3.186
   61    HA   LYS   8           HA       LYS   8   0.616  -4.114   2.000
   62    HB2  LYS   8           HB2      LYS   8   0.281  -5.131   4.828
   63    HB3  LYS   8           HB3      LYS   8   1.550  -3.969   4.414
   64    HG2  LYS   8           HG2      LYS   8  -0.091  -2.401   3.491
   65    HG3  LYS   8           HG3      LYS   8  -1.392  -3.557   3.788
   66    HD2  LYS   8           HD2      LYS   8  -1.459  -1.893   5.519
   67    HD3  LYS   8           HD3      LYS   8  -0.922  -3.415   6.246
   68    HE2  LYS   8           HE2      LYS   8   1.447  -2.616   6.119
   69    HE3  LYS   8           HE3      LYS   8   0.889  -1.111   5.378
   70    HZ1  LYS   8           HZ1      LYS   8   0.154  -2.042   8.103
   71    HZ2  LYS   8           HZ2      LYS   8   1.229  -0.860   7.770
   72    HZ3  LYS   8           HZ3      LYS   8  -0.351  -0.643   7.421
   73    H    ARG   9           H        ARG   9   2.702  -3.801   1.859
   74    HA   ARG   9           HA       ARG   9   4.677  -6.004   2.162
   75    HB2  ARG   9           HB2      ARG   9   3.419  -5.975  -0.137
   76    HB3  ARG   9           HB3      ARG   9   4.270  -4.471  -0.442
   77    HG2  ARG   9           HG2      ARG   9   5.413  -6.248  -1.550
   78    HG3  ARG   9           HG3      ARG   9   6.452  -5.746  -0.204
   79    HD2  ARG   9           HD2      ARG   9   5.631  -7.686   1.123
   80    HD3  ARG   9           HD3      ARG   9   4.581  -8.166  -0.223
   81    HE   ARG   9           HE       ARG   9   7.480  -8.532   0.029
   82   HH11  ARG   9          HH11      ARG   9   4.876  -8.498  -2.329
   83   HH12  ARG   9          HH12      ARG   9   5.792  -9.431  -3.474
   84   HH21  ARG   9          HH21      ARG   9   8.578  -9.712  -1.481
   85   HH22  ARG   9          HH22      ARG   9   7.824 -10.097  -3.005
   86    H    MET  10           H        MET  10   6.962  -5.116   1.713
   87    HA   MET  10           HA       MET  10   7.252  -2.221   2.159
   88    HB2  MET  10           HB2      MET  10   6.709  -3.216   4.403
   89    HB3  MET  10           HB3      MET  10   8.158  -4.231   4.254
   90    HG2  MET  10           HG2      MET  10   9.478  -2.042   4.021
   91    HG3  MET  10           HG3      MET  10   8.008  -1.204   4.500
   92    HE1  MET  10           HE1      MET  10   7.558  -2.411   8.228
   93    HE2  MET  10           HE2      MET  10   7.035  -1.231   7.012
   94    HE3  MET  10           HE3      MET  10   6.724  -2.967   6.764
   95    H    PHE  11           H        PHE  11   9.092  -1.420   1.490
   96    HA   PHE  11           HA       PHE  11  11.117  -2.997   0.157
   97    HB2  PHE  11           HB2      PHE  11  10.780  -0.048   0.708
   98    HB3  PHE  11           HB3      PHE  11  12.196  -0.707  -0.115
   99    HD1  PHE  11           HD1      PHE  11  11.742  -2.275  -2.183
  100    HD2  PHE  11           HD2      PHE  11   8.937   0.634  -0.648
  101    HE1  PHE  11           HE1      PHE  11  10.604  -2.195  -4.390
  102    HE2  PHE  11           HE2      PHE  11   7.825   0.718  -2.856
  103    HZ   PHE  11           HZ       PHE  11   8.650  -0.693  -4.730
  104    H    ALA  12           H        ALA  12  13.430  -2.904   0.517
  105    HA   ALA  12           HA       ALA  12  14.193  -3.648   3.143
  106    HB1  ALA  12           HB1      ALA  12  15.325  -4.366   1.070
  107    HB2  ALA  12           HB2      ALA  12  15.899  -2.703   0.796
  108    HB3  ALA  12           HB3      ALA  12  16.473  -3.626   2.199
  109    H    ASN  13           H        ASN  13  14.009  -0.454   1.755
  110    HA   ASN  13           HA       ASN  13  15.645   0.857   3.812
  111    HB2  ASN  13           HB2      ASN  13  14.996   2.927   2.633
  112    HB3  ASN  13           HB3      ASN  13  15.664   1.701   1.544
  113   HD21  ASN  13          HD21      ASN  13  14.680   2.855  -0.202
  114    H    GLY  14           H        GLY  14  12.567  -0.451   3.999
  115    HA2  GLY  14           HA2      GLY  14  11.130  -0.316   5.827
  116    HA3  GLY  14           HA3      GLY  14  11.851   1.221   6.332
  117    H    THR  15           H        THR  15  10.817   0.982   2.987
  118    HA   THR  15           HA       THR  15   8.568   2.862   3.513
  119    HB   THR  15           HB       THR  15   9.756   1.959   0.874
  120    HG1  THR  15           HG1      THR  15  11.236   3.059   1.946
  121   HG21  THR  15          HG21      THR  15   8.660   4.103   0.059
  122   HG22  THR  15          HG22      THR  15   7.575   2.754   0.409
  123   HG23  THR  15          HG23      THR  15   7.727   4.107   1.568
  124    H    VAL  16           H        VAL  16   6.467   2.292   3.423
  125    HA   VAL  16           HA       VAL  16   5.783  -0.546   2.884
  126    HB   VAL  16           HB       VAL  16   4.313   1.747   4.235
  127   HG11  VAL  16          HG11      VAL  16   3.332  -1.115   3.855
  128   HG12  VAL  16          HG12      VAL  16   2.616   0.095   4.943
  129   HG13  VAL  16          HG13      VAL  16   2.573   0.358   3.205
  130   HG21  VAL  16          HG21      VAL  16   6.150   0.703   5.545
  131   HG22  VAL  16          HG22      VAL  16   4.566   0.342   6.249
  132   HG23  VAL  16          HG23      VAL  16   5.406  -0.895   5.293
  133    H    TYR  17           H        TYR  17   4.284  -1.226   1.458
  134    HA   TYR  17           HA       TYR  17   2.677   0.577  -0.191
  135    HB2  TYR  17           HB2      TYR  17   3.545  -0.165  -2.316
  136    HB3  TYR  17           HB3      TYR  17   4.831   0.552  -1.397
  137    HD1  TYR  17           HD1      TYR  17   6.628  -0.922  -0.358
  138    HD2  TYR  17           HD2      TYR  17   3.672  -2.415  -3.125
  139    HE1  TYR  17           HE1      TYR  17   8.121  -2.826  -0.939
  140    HE2  TYR  17           HE2      TYR  17   5.142  -4.352  -3.655
  141    HH   TYR  17           HH       TYR  17   8.436  -4.630  -2.290
  142    H    TYR  18           H        TYR  18   1.676  -1.135  -1.999
  143    HA   TYR  18           HA       TYR  18   0.533  -3.419  -0.446
  144    HB2  TYR  18           HB2      TYR  18  -0.887  -1.532  -2.366
  145    HB3  TYR  18           HB3      TYR  18  -1.610  -2.886  -1.485
  146    HD1  TYR  18           HD1      TYR  18  -0.190   0.528  -1.166
  147    HD2  TYR  18           HD2      TYR  18  -2.161  -2.704   0.887
  148    HE1  TYR  18           HE1      TYR  18  -0.491   1.984   0.814
  149    HE2  TYR  18           HE2      TYR  18  -2.515  -1.223   2.866
  150    HH   TYR  18           HH       TYR  18  -1.283   2.127   2.959
  151    H    PHE  19           H        PHE  19   0.148  -5.289  -1.537
  152    HA   PHE  19           HA       PHE  19   1.113  -5.573  -4.361
  153    HB2  PHE  19           HB2      PHE  19   2.960  -5.894  -2.802
  154    HB3  PHE  19           HB3      PHE  19   2.022  -7.091  -1.897
  155    HD1  PHE  19           HD1      PHE  19   3.504  -6.310  -5.206
  156    HD2  PHE  19           HD2      PHE  19   1.959  -9.420  -2.643
  157    HE1  PHE  19           HE1      PHE  19   4.322  -8.000  -6.787
  158    HE2  PHE  19           HE2      PHE  19   2.841 -11.133  -4.211
  159    HZ   PHE  19           HZ       PHE  19   4.043 -10.441  -6.276
  160    H    ASN  20           H        ASN  20  -0.060  -6.959  -5.589
  161    HA   ASN  20           HA       ASN  20  -2.288  -8.449  -4.310
  162    HB2  ASN  20           HB2      ASN  20  -2.698  -6.960  -6.280
  163    HB3  ASN  20           HB3      ASN  20  -1.706  -8.053  -7.263
  164   HD21  ASN  20          HD21      ASN  20  -5.546  -8.999  -6.592
  165   HD22  ASN  20          HD22      ASN  20  -4.865  -7.430  -6.155
  166    H    HIS  21           H        HIS  21  -2.067 -10.553  -3.804
  167    HA   HIS  21           HA       HIS  21   0.410 -11.897  -4.497
  168    HB2  HIS  21           HB2      HIS  21  -0.088 -13.409  -2.860
  169    HB3  HIS  21           HB3      HIS  21  -0.884 -11.950  -2.272
  170    HD2  HIS  21           HD2      HIS  21  -3.530 -12.069  -1.942
  171    HE1  HIS  21           HE1      HIS  21  -4.063 -16.161  -3.013
  172    HE2  HIS  21           HE2      HIS  21  -5.175 -14.127  -1.961
  173    H    ILE  22           H        ILE  22  -2.714 -11.959  -6.014
  174    HA   ILE  22           HA       ILE  22  -2.343 -14.588  -7.289
  175    HB   ILE  22           HB       ILE  22  -4.446 -12.426  -7.757
  176   HG12  ILE  22          HG12      ILE  22  -5.760 -14.450  -6.405
  177   HG13  ILE  22          HG13      ILE  22  -4.187 -14.510  -5.607
  178   HG21  ILE  22          HG21      ILE  22  -4.315 -14.007  -9.612
  179   HG22  ILE  22          HG22      ILE  22  -4.398 -15.380  -8.481
  180   HG23  ILE  22          HG23      ILE  22  -5.786 -14.285  -8.687
  181   HD11  ILE  22          HD11      ILE  22  -5.963 -12.040  -5.941
  182   HD12  ILE  22          HD12      ILE  22  -5.836 -13.031  -4.478
  183   HD13  ILE  22          HD13      ILE  22  -4.435 -12.093  -5.031
  184    H    THR  23           H        THR  23  -2.236 -11.151  -8.174
  185    HA   THR  23           HA       THR  23  -1.469 -11.823 -10.958
  186    HB   THR  23           HB       THR  23  -2.387  -9.793 -11.653
  187    HG1  THR  23           HG1      THR  23  -3.340  -8.512  -9.786
  188   HG21  THR  23          HG21      THR  23  -4.681  -9.843 -10.949
  189   HG22  THR  23          HG22      THR  23  -4.105 -11.515 -10.975
  190   HG23  THR  23          HG23      THR  23  -4.283 -10.662  -9.426
  191    H    ASN  24           H        ASN  24   0.128 -10.791  -8.224
  192    HA   ASN  24           HA       ASN  24   2.087  -9.884  -7.746
  193    HB2  ASN  24           HB2      ASN  24   2.899 -10.491 -10.608
  194    HB3  ASN  24           HB3      ASN  24   3.989 -10.155  -9.255
  195   HD21  ASN  24          HD21      ASN  24   2.771 -12.659 -11.041
  196   HD22  ASN  24          HD22      ASN  24   2.947 -13.928  -9.824
  197    H    ALA  25           H        ALA  25  -0.077  -8.136  -9.058
  198    HA   ALA  25           HA       ALA  25   1.312  -5.800 -10.045
  199    HB1  ALA  25           HB1      ALA  25  -0.865  -4.704  -9.720
  200    HB2  ALA  25           HB2      ALA  25  -1.070  -6.275 -10.516
  201    HB3  ALA  25           HB3      ALA  25  -1.451  -6.098  -8.787
  202    H    SER  26           H        SER  26   1.618  -3.784  -8.949
  203    HA   SER  26           HA       SER  26   1.638  -3.821  -5.988
  204    HB2  SER  26           HB2      SER  26   3.867  -2.871  -5.859
  205    HB3  SER  26           HB3      SER  26   3.884  -4.491  -6.566
  206    HG   SER  26           HG       SER  26   4.198  -3.613  -8.576
  207    H    GLN  27           H        GLN  27   1.469  -1.834  -4.980
  208    HA   GLN  27           HA       GLN  27   1.065   0.655  -6.509
  209    HB2  GLN  27           HB2      GLN  27  -1.030  -0.285  -6.950
  210    HB3  GLN  27           HB3      GLN  27  -1.127  -1.071  -5.375
  211    HG2  GLN  27           HG2      GLN  27  -2.762   0.683  -5.512
  212    HG3  GLN  27           HG3      GLN  27  -1.570   1.008  -4.270
  213   HE21  GLN  27          HE21      GLN  27  -2.396   3.224  -4.401
  214   HE22  GLN  27          HE22      GLN  27  -1.847   4.298  -5.710
  215    H    PHE  28           H        PHE  28   1.154   2.496  -5.237
  216    HA   PHE  28           HA       PHE  28   2.408   2.003  -2.634
  217    HB2  PHE  28           HB2      PHE  28   3.811   3.183  -3.957
  218    HB3  PHE  28           HB3      PHE  28   2.547   4.283  -4.520
  219    HD1  PHE  28           HD1      PHE  28   2.156   6.372  -3.459
  220    HD2  PHE  28           HD2      PHE  28   4.561   3.378  -1.490
  221    HE1  PHE  28           HE1      PHE  28   2.790   8.024  -1.715
  222    HE2  PHE  28           HE2      PHE  28   5.196   5.032   0.247
  223    HZ   PHE  28           HZ       PHE  28   4.313   7.357   0.138
  224    H    GLU  29           H        GLU  29  -0.319   4.095  -3.537
  225    HA   GLU  29           HA       GLU  29  -0.971   4.447  -0.644
  226    HB2  GLU  29           HB2      GLU  29  -2.275   5.574  -3.150
  227    HB3  GLU  29           HB3      GLU  29  -2.841   5.837  -1.490
  228    HG2  GLU  29           HG2      GLU  29  -0.622   6.834  -0.915
  229    HG3  GLU  29           HG3      GLU  29  -0.138   6.678  -2.607
  230    H    ARG  30           H        ARG  30  -3.018   3.709   0.227
  231    HA   ARG  30           HA       ARG  30  -3.401   1.014  -0.248
  232    HB2  ARG  30           HB2      ARG  30  -4.111   2.462   1.771
  233    HB3  ARG  30           HB3      ARG  30  -5.614   2.740   0.902
  234    HG2  ARG  30           HG2      ARG  30  -5.257  -0.087   0.820
  235    HG3  ARG  30           HG3      ARG  30  -4.659   0.401   2.411
  236    HD2  ARG  30           HD2      ARG  30  -6.889  -0.046   2.820
  237    HD3  ARG  30           HD3      ARG  30  -6.899   1.713   2.630
  238    HE   ARG  30           HE       ARG  30  -7.387   0.487   0.078
  239   HH11  ARG  30          HH11      ARG  30  -9.146   0.945   3.098
  240   HH12  ARG  30          HH12      ARG  30 -10.666   0.580   2.311
  241   HH21  ARG  30          HH21      ARG  30  -9.288   0.094  -0.777
  242   HH22  ARG  30          HH22      ARG  30 -10.774   0.156   0.181
  243    HA   PRO  31           HA       PRO  31  -5.666   1.124  -4.101
  244    HB2  PRO  31           HB2      PRO  31  -6.319  -1.565  -4.359
  245    HB3  PRO  31           HB3      PRO  31  -4.727  -0.845  -4.737
  246    HG2  PRO  31           HG2      PRO  31  -5.584  -2.232  -2.187
  247    HG3  PRO  31           HG3      PRO  31  -4.066  -2.447  -3.118
  248    HD2  PRO  31           HD2      PRO  31  -4.148  -0.897  -0.925
  249    HD3  PRO  31           HD3      PRO  31  -3.193  -0.391  -2.347
  250    H    SER  32           H        SER  32  -7.797   1.100  -4.900
  251    HA   SER  32           HA       SER  32  -9.676   1.875  -2.919
  252    HB2  SER  32           HB2      SER  32 -11.208   2.264  -4.825
  253    HB3  SER  32           HB3      SER  32  -9.614   3.011  -5.006
  254    HG   SER  32           HG       SER  32 -10.320   1.957  -6.918
  255    H    GLY  33           H        GLY  33 -11.575   1.115  -2.208
  256    HA2  GLY  33           HA2      GLY  33 -13.088  -1.145  -2.888
  257    HA3  GLY  33           HA3      GLY  33 -11.815  -1.725  -1.810
  258    H1'  ALL 101           H1       ALL  34  11.786   2.206  -0.516
  259    H2'  ALL 101           H2       ALL  34  13.395   4.486  -1.794
  260    H3'  ALL 101           H3       ALL  34  11.296   5.084  -2.942
  261    H4'  ALL 101           H4       ALL  34  12.830   3.588  -4.129
  262    H5'  ALL 101           H5       ALL  34  11.335   1.260  -2.848
  263   H6'1  ALL 101          H62       ALL  34  12.360   0.891  -5.192
  264   H6'2  ALL 101          H61       ALL  34  12.897  -0.200  -3.900
  265   HO'2  ALL 101          H2O       ALL  34  11.265   4.527   0.131
  266   HO'3  ALL 101          H3O       ALL  34   9.612   3.375  -2.844
  267   HO'4  ALL 101          H4O       ALL  34  10.861   3.923  -5.181
  268   HO'6  ALL 101          H6O       ALL  34  14.649   1.343  -3.551
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1 -10.332  -6.059   4.546
    2    H2   LYS   1           H2       LYS   1 -11.238  -4.694   4.609
    3    H3   LYS   1           H3       LYS   1 -10.777  -5.434   5.989
    4    HA   LYS   1           HA       LYS   1  -9.482  -3.464   5.657
    5    HB2  LYS   1           HB2      LYS   1  -8.478  -5.490   6.776
    6    HB3  LYS   1           HB3      LYS   1  -7.739  -5.925   5.236
    7    HG2  LYS   1           HG2      LYS   1  -6.618  -3.589   5.280
    8    HG3  LYS   1           HG3      LYS   1  -7.274  -3.415   6.904
    9    HD2  LYS   1           HD2      LYS   1  -5.030  -4.126   7.171
   10    HD3  LYS   1           HD3      LYS   1  -6.022  -5.544   7.542
   11    HE2  LYS   1           HE2      LYS   1  -5.606  -6.402   5.220
   12    HE3  LYS   1           HE3      LYS   1  -4.637  -4.961   4.880
   13    HZ1  LYS   1           HZ1      LYS   1  -3.990  -7.042   6.892
   14    HZ2  LYS   1           HZ2      LYS   1  -3.202  -6.784   5.478
   15    HZ3  LYS   1           HZ3      LYS   1  -3.123  -5.673   6.671
   16    H    LEU   2           H        LEU   2  -8.345  -5.769   3.130
   17    HA   LEU   2           HA       LEU   2  -8.097  -3.503   1.203
   18    HB2  LEU   2           HB2      LEU   2  -6.297  -5.903   1.678
   19    HB3  LEU   2           HB3      LEU   2  -6.146  -4.825   0.285
   20    HG   LEU   2           HG       LEU   2  -5.902  -3.802   3.131
   21   HD11  LEU   2          HD11      LEU   2  -3.708  -4.687   1.224
   22   HD12  LEU   2          HD12      LEU   2  -3.473  -3.889   2.798
   23   HD13  LEU   2          HD13      LEU   2  -4.186  -5.510   2.725
   24   HD21  LEU   2          HD21      LEU   2  -4.761  -1.922   2.076
   25   HD22  LEU   2          HD22      LEU   2  -4.900  -2.690   0.482
   26   HD23  LEU   2          HD23      LEU   2  -6.351  -2.108   1.327
   27    HA   PRO   3           HA       PRO   3 -10.569  -5.862  -1.577
   28    HB2  PRO   3           HB2      PRO   3  -8.847  -5.277  -3.923
   29    HB3  PRO   3           HB3      PRO   3 -10.523  -4.761  -3.588
   30    HG2  PRO   3           HG2      PRO   3  -8.402  -3.031  -3.472
   31    HG3  PRO   3           HG3      PRO   3  -9.821  -2.895  -2.372
   32    HD2  PRO   3           HD2      PRO   3  -7.134  -4.163  -1.827
   33    HD3  PRO   3           HD3      PRO   3  -8.067  -3.025  -0.815
   34    HA   PRO   4           HA       PRO   4  -9.349  -9.960  -2.370
   35    HB2  PRO   4           HB2      PRO   4  -9.879  -9.673  -5.337
   36    HB3  PRO   4           HB3      PRO   4 -10.363 -10.996  -4.226
   37    HG2  PRO   4           HG2      PRO   4 -12.153  -9.081  -4.869
   38    HG3  PRO   4           HG3      PRO   4 -11.989  -9.587  -3.152
   39    HD2  PRO   4           HD2      PRO   4 -10.810  -7.156  -4.521
   40    HD3  PRO   4           HD3      PRO   4 -11.629  -7.275  -2.931
   41    H    GLY   5           H        GLY   5  -7.413 -10.797  -2.243
   42    HA2  GLY   5           HA2      GLY   5  -5.320 -11.575  -2.833
   43    HA3  GLY   5           HA3      GLY   5  -5.408 -10.683  -4.361
   44    H    TRP   6           H        TRP   6  -5.997  -8.164  -2.455
   45    HA   TRP   6           HA       TRP   6  -3.221  -7.290  -2.442
   46    HB2  TRP   6           HB2      TRP   6  -5.774  -5.968  -1.562
   47    HB3  TRP   6           HB3      TRP   6  -4.185  -5.201  -1.450
   48    HD1  TRP   6           HD1      TRP   6  -6.862  -6.172  -3.934
   49    HE1  TRP   6           HE1      TRP   6  -6.407  -5.108  -6.225
   50    HE3  TRP   6           HE3      TRP   6  -2.132  -4.440  -3.068
   51    HZ2  TRP   6           HZ2      TRP   6  -4.167  -3.944  -7.589
   52    HZ3  TRP   6           HZ3      TRP   6  -0.835  -3.379  -4.911
   53    HH2  TRP   6           HH2      TRP   6  -1.829  -3.133  -7.169
   54    H    GLU   7           H        GLU   7  -1.814  -7.028  -0.838
   55    HA   GLU   7           HA       GLU   7  -2.643  -6.916   1.968
   56    HB2  GLU   7           HB2      GLU   7  -2.380  -9.282   1.718
   57    HB3  GLU   7           HB3      GLU   7  -0.872  -9.092   0.842
   58    HG2  GLU   7           HG2      GLU   7  -0.524 -10.002   3.052
   59    HG3  GLU   7           HG3      GLU   7   0.316  -8.482   2.837
   60    H    LYS   8           H        LYS   8  -0.998  -6.040   3.370
   61    HA   LYS   8           HA       LYS   8   0.639  -3.995   2.148
   62    HB2  LYS   8           HB2      LYS   8   0.374  -5.010   4.985
   63    HB3  LYS   8           HB3      LYS   8   1.638  -3.854   4.536
   64    HG2  LYS   8           HG2      LYS   8  -0.029  -2.287   3.639
   65    HG3  LYS   8           HG3      LYS   8  -1.323  -3.433   4.004
   66    HD2  LYS   8           HD2      LYS   8  -1.318  -1.756   5.719
   67    HD3  LYS   8           HD3      LYS   8  -0.727  -3.258   6.446
   68    HE2  LYS   8           HE2      LYS   8   1.626  -2.432   6.186
   69    HE3  LYS   8           HE3      LYS   8   1.010  -0.952   5.443
   70    HZ1  LYS   8           HZ1      LYS   8  -0.133  -0.453   7.533
   71    HZ2  LYS   8           HZ2      LYS   8   0.424  -1.829   8.220
   72    HZ3  LYS   8           HZ3      LYS   8   1.465  -0.642   7.808
   73    H    ARG   9           H        ARG   9   2.721  -3.689   1.967
   74    HA   ARG   9           HA       ARG   9   4.676  -5.930   2.154
   75    HB2  ARG   9           HB2      ARG   9   3.313  -5.588  -0.155
   76    HB3  ARG   9           HB3      ARG   9   4.436  -4.262  -0.367
   77    HG2  ARG   9           HG2      ARG   9   5.285  -6.160  -1.531
   78    HG3  ARG   9           HG3      ARG   9   6.335  -5.952  -0.113
   79    HD2  ARG   9           HD2      ARG   9   5.152  -7.793   1.040
   80    HD3  ARG   9           HD3      ARG   9   3.976  -7.884  -0.281
   81    HE   ARG   9           HE       ARG   9   5.531  -8.919  -1.683
   82   HH11  ARG   9          HH11      ARG   9   7.094  -8.292   1.406
   83   HH12  ARG   9          HH12      ARG   9   8.394  -9.397   1.052
   84   HH21  ARG   9          HH21      ARG   9   7.224 -10.277  -2.051
   85   HH22  ARG   9          HH22      ARG   9   8.457 -10.487  -0.839
   86    H    MET  10           H        MET  10   6.966  -5.082   1.784
   87    HA   MET  10           HA       MET  10   7.307  -2.194   2.191
   88    HB2  MET  10           HB2      MET  10   6.729  -3.158   4.462
   89    HB3  MET  10           HB3      MET  10   8.217  -4.122   4.359
   90    HG2  MET  10           HG2      MET  10   9.496  -1.942   4.126
   91    HG3  MET  10           HG3      MET  10   7.971  -1.091   4.340
   92    HE1  MET  10           HE1      MET  10  10.924  -2.961   5.933
   93    HE2  MET  10           HE2      MET  10  10.370  -3.351   7.576
   94    HE3  MET  10           HE3      MET  10   9.693  -4.221   6.185
   95    H    PHE  11           H        PHE  11   9.166  -1.435   1.532
   96    HA   PHE  11           HA       PHE  11  11.185  -3.079   0.273
   97    HB2  PHE  11           HB2      PHE  11  10.895  -0.113   0.749
   98    HB3  PHE  11           HB3      PHE  11  12.304  -0.820  -0.046
   99    HD1  PHE  11           HD1      PHE  11   9.058   0.553  -0.626
  100    HD2  PHE  11           HD2      PHE  11  11.845  -2.408  -2.090
  101    HE1  PHE  11           HE1      PHE  11   7.964   0.613  -2.843
  102    HE2  PHE  11           HE2      PHE  11  10.727  -2.352  -4.306
  103    HZ   PHE  11           HZ       PHE  11   8.790  -0.836  -4.688
  104    H    ALA  12           H        ALA  12  13.490  -3.026   0.681
  105    HA   ALA  12           HA       ALA  12  14.174  -3.725   3.341
  106    HB1  ALA  12           HB1      ALA  12  15.957  -2.892   1.007
  107    HB2  ALA  12           HB2      ALA  12  16.474  -3.796   2.446
  108    HB3  ALA  12           HB3      ALA  12  15.326  -4.530   1.311
  109    H    ASN  13           H        ASN  13  14.105  -0.563   1.879
  110    HA   ASN  13           HA       ASN  13  15.748   0.756   3.922
  111    HB2  ASN  13           HB2      ASN  13  15.151   2.813   2.695
  112    HB3  ASN  13           HB3      ASN  13  15.793   1.553   1.631
  113   HD21  ASN  13          HD21      ASN  13  14.820   2.816  -0.088
  114    H    GLY  14           H        GLY  14  12.639  -0.482   4.103
  115    HA2  GLY  14           HA2      GLY  14  11.172  -0.272   5.902
  116    HA3  GLY  14           HA3      GLY  14  11.925   1.256   6.389
  117    H    THR  15           H        THR  15  10.933   0.938   3.029
  118    HA   THR  15           HA       THR  15   8.732   2.896   3.461
  119    HB   THR  15           HB       THR  15   9.902   1.883   0.860
  120    HG1  THR  15           HG1      THR  15  11.412   2.952   1.954
  121   HG21  THR  15          HG21      THR  15   8.883   4.048  -0.007
  122   HG22  THR  15          HG22      THR  15   7.757   2.740   0.373
  123   HG23  THR  15          HG23      THR  15   7.950   4.114   1.500
  124    H    VAL  16           H        VAL  16   6.640   2.322   3.484
  125    HA   VAL  16           HA       VAL  16   5.903  -0.500   2.936
  126    HB   VAL  16           HB       VAL  16   4.506   1.795   4.356
  127   HG11  VAL  16          HG11      VAL  16   2.813   0.162   5.101
  128   HG12  VAL  16          HG12      VAL  16   2.722   0.433   3.365
  129   HG13  VAL  16          HG13      VAL  16   3.483  -1.053   3.987
  130   HG21  VAL  16          HG21      VAL  16   4.799   0.374   6.350
  131   HG22  VAL  16          HG22      VAL  16   5.602  -0.866   5.370
  132   HG23  VAL  16          HG23      VAL  16   6.368   0.722   5.607
  133    H    TYR  17           H        TYR  17   4.371  -1.148   1.540
  134    HA   TYR  17           HA       TYR  17   2.746   0.680  -0.069
  135    HB2  TYR  17           HB2      TYR  17   3.552  -0.087  -2.212
  136    HB3  TYR  17           HB3      TYR  17   4.858   0.637  -1.333
  137    HD1  TYR  17           HD1      TYR  17   6.607  -0.915  -0.203
  138    HD2  TYR  17           HD2      TYR  17   3.757  -2.251  -3.163
  139    HE1  TYR  17           HE1      TYR  17   8.076  -2.848  -0.772
  140    HE2  TYR  17           HE2      TYR  17   5.217  -4.179  -3.704
  141    HH   TYR  17           HH       TYR  17   7.243  -5.179  -3.335
  142    H    TYR  18           H        TYR  18   1.695  -1.046  -1.863
  143    HA   TYR  18           HA       TYR  18   0.612  -3.342  -0.279
  144    HB2  TYR  18           HB2      TYR  18  -0.869  -1.522  -2.217
  145    HB3  TYR  18           HB3      TYR  18  -1.547  -2.880  -1.306
  146    HD1  TYR  18           HD1      TYR  18  -0.334   0.606  -1.106
  147    HD2  TYR  18           HD2      TYR  18  -1.991  -2.702   1.111
  148    HE1  TYR  18           HE1      TYR  18  -0.732   2.113   0.823
  149    HE2  TYR  18           HE2      TYR  18  -2.445  -1.174   3.034
  150    HH   TYR  18           HH       TYR  18  -1.509   2.272   2.969
  151    H    PHE  19           H        PHE  19   0.316  -5.242  -1.338
  152    HA   PHE  19           HA       PHE  19   1.094  -5.468  -4.209
  153    HB2  PHE  19           HB2      PHE  19   3.094  -5.858  -2.915
  154    HB3  PHE  19           HB3      PHE  19   2.242  -7.018  -1.878
  155    HD1  PHE  19           HD1      PHE  19   3.162  -6.349  -5.419
  156    HD2  PHE  19           HD2      PHE  19   2.187  -9.370  -2.498
  157    HE1  PHE  19           HE1      PHE  19   3.649  -8.086  -7.079
  158    HE2  PHE  19           HE2      PHE  19   2.760 -11.133  -4.147
  159    HZ   PHE  19           HZ       PHE  19   3.487 -10.513  -6.444
  160    H    ASN  20           H        ASN  20  -0.032  -6.892  -5.414
  161    HA   ASN  20           HA       ASN  20  -2.196  -8.406  -4.060
  162    HB2  ASN  20           HB2      ASN  20  -2.664  -6.780  -5.938
  163    HB3  ASN  20           HB3      ASN  20  -1.857  -7.920  -7.030
  164   HD21  ASN  20          HD21      ASN  20  -4.831  -6.995  -6.096
  165   HD22  ASN  20          HD22      ASN  20  -5.686  -8.527  -6.141
  166    H    HIS  21           H        HIS  21  -1.777 -10.468  -3.547
  167    HA   HIS  21           HA       HIS  21   0.497 -11.880  -4.667
  168    HB2  HIS  21           HB2      HIS  21   0.206 -13.384  -2.988
  169    HB3  HIS  21           HB3      HIS  21  -0.542 -11.962  -2.265
  170    HD2  HIS  21           HD2      HIS  21  -3.089 -12.190  -1.542
  171    HE1  HIS  21           HE1      HIS  21  -3.753 -16.184  -2.876
  172    HE2  HIS  21           HE2      HIS  21  -4.716 -14.259  -1.515
  173    H    ILE  22           H        ILE  22  -2.861 -11.766  -5.576
  174    HA   ILE  22           HA       ILE  22  -2.875 -14.337  -7.002
  175    HB   ILE  22           HB       ILE  22  -4.908 -12.065  -6.879
  176   HG12  ILE  22          HG12      ILE  22  -4.757 -14.680  -5.295
  177   HG13  ILE  22          HG13      ILE  22  -4.467 -13.056  -4.649
  178   HG21  ILE  22          HG21      ILE  22  -6.530 -13.727  -7.715
  179   HG22  ILE  22          HG22      ILE  22  -5.234 -13.485  -8.869
  180   HG23  ILE  22          HG23      ILE  22  -5.232 -14.938  -7.841
  181   HD11  ILE  22          HD11      ILE  22  -7.117 -14.196  -5.552
  182   HD12  ILE  22          HD12      ILE  22  -6.620 -13.649  -3.941
  183   HD13  ILE  22          HD13      ILE  22  -6.849 -12.462  -5.242
  184    H    THR  23           H        THR  23  -2.767 -10.878  -7.766
  185    HA   THR  23           HA       THR  23  -2.537 -11.452 -10.665
  186    HB   THR  23           HB       THR  23  -3.503  -9.400 -11.137
  187    HG1  THR  23           HG1      THR  23  -4.022  -8.159  -9.038
  188   HG21  THR  23          HG21      THR  23  -4.965 -10.207  -8.580
  189   HG22  THR  23          HG22      THR  23  -5.612  -9.339  -9.985
  190   HG23  THR  23          HG23      THR  23  -5.144 -11.040 -10.141
  191    H    ASN  24           H        ASN  24  -0.436 -10.607  -8.232
  192    HA   ASN  24           HA       ASN  24   1.633  -9.832  -8.084
  193    HB2  ASN  24           HB2      ASN  24   1.740 -11.474 -10.185
  194    HB3  ASN  24           HB3      ASN  24   2.173  -9.983 -11.037
  195   HD21  ASN  24          HD21      ASN  24   3.966  -8.680  -9.761
  196   HD22  ASN  24          HD22      ASN  24   5.312  -9.693  -9.204
  197    H    ALA  25           H        ALA  25  -0.671  -7.923  -8.943
  198    HA   ALA  25           HA       ALA  25   0.685  -5.587 -10.006
  199    HB1  ALA  25           HB1      ALA  25  -1.934  -5.858  -8.468
  200    HB2  ALA  25           HB2      ALA  25  -1.400  -4.441  -9.395
  201    HB3  ALA  25           HB3      ALA  25  -1.750  -5.963 -10.233
  202    H    SER  26           H        SER  26   1.120  -3.615  -8.835
  203    HA   SER  26           HA       SER  26   1.330  -3.759  -5.899
  204    HB2  SER  26           HB2      SER  26   3.602  -2.859  -5.850
  205    HB3  SER  26           HB3      SER  26   3.535  -4.488  -6.518
  206    HG   SER  26           HG       SER  26   3.772  -3.646  -8.572
  207    H    GLN  27           H        GLN  27   1.331  -1.737  -4.848
  208    HA   GLN  27           HA       GLN  27   1.275   0.761  -6.377
  209    HB2  GLN  27           HB2      GLN  27  -1.215  -0.612  -5.646
  210    HB3  GLN  27           HB3      GLN  27  -1.095   0.903  -4.782
  211    HG2  GLN  27           HG2      GLN  27  -0.876   0.595  -7.795
  212    HG3  GLN  27           HG3      GLN  27  -2.301   1.121  -6.903
  213   HE21  GLN  27          HE21      GLN  27  -1.620   2.835  -8.811
  214   HE22  GLN  27          HE22      GLN  27  -0.780   4.235  -8.132
  215    H    PHE  28           H        PHE  28   1.803   2.510  -5.143
  216    HA   PHE  28           HA       PHE  28   2.486   2.071  -2.308
  217    HB2  PHE  28           HB2      PHE  28   4.201   3.130  -3.446
  218    HB3  PHE  28           HB3      PHE  28   3.103   4.257  -4.251
  219    HD1  PHE  28           HD1      PHE  28   4.761   3.455  -1.033
  220    HD2  PHE  28           HD2      PHE  28   2.374   6.318  -3.203
  221    HE1  PHE  28           HE1      PHE  28   5.176   5.139   0.739
  222    HE2  PHE  28           HE2      PHE  28   2.794   8.008  -1.428
  223    HZ   PHE  28           HZ       PHE  28   4.194   7.423   0.545
  224    H    GLU  29           H        GLU  29  -0.049   3.607  -4.141
  225    HA   GLU  29           HA       GLU  29  -1.243   4.898  -1.788
  226    HB2  GLU  29           HB2      GLU  29  -1.500   6.021  -3.882
  227    HB3  GLU  29           HB3      GLU  29  -2.022   4.551  -4.688
  228    HG2  GLU  29           HG2      GLU  29  -3.860   6.026  -4.477
  229    HG3  GLU  29           HG3      GLU  29  -4.163   4.583  -3.529
  230    H    ARG  30           H        ARG  30  -3.027   4.199  -0.656
  231    HA   ARG  30           HA       ARG  30  -3.408   1.390  -0.340
  232    HB2  ARG  30           HB2      ARG  30  -3.643   2.920   1.472
  233    HB3  ARG  30           HB3      ARG  30  -4.962   3.783   0.699
  234    HG2  ARG  30           HG2      ARG  30  -5.273   0.820   1.241
  235    HG3  ARG  30           HG3      ARG  30  -5.349   1.948   2.603
  236    HD2  ARG  30           HD2      ARG  30  -7.416   2.658   2.100
  237    HD3  ARG  30           HD3      ARG  30  -7.011   2.930   0.412
  238    HE   ARG  30           HE       ARG  30  -7.930   0.925  -0.184
  239   HH11  ARG  30          HH11      ARG  30  -8.961  -0.924  -0.008
  240   HH12  ARG  30          HH12      ARG  30  -9.292  -1.630   1.582
  241   HH21  ARG  30          HH21      ARG  30  -8.454  -0.790   3.353
  242   HH22  ARG  30          HH22      ARG  30  -7.596   0.745   3.328
  243    HA   PRO  31           HA       PRO  31  -5.944   0.941  -3.937
  244    HB2  PRO  31           HB2      PRO  31  -6.428  -1.754  -3.930
  245    HB3  PRO  31           HB3      PRO  31  -4.824  -1.037  -4.265
  246    HG2  PRO  31           HG2      PRO  31  -5.860  -2.106  -1.621
  247    HG3  PRO  31           HG3      PRO  31  -4.306  -2.488  -2.432
  248    HD2  PRO  31           HD2      PRO  31  -4.449  -0.611  -0.482
  249    HD3  PRO  31           HD3      PRO  31  -3.409  -0.366  -1.913
  250    H    SER  32           H        SER  32  -7.988   1.281  -4.437
  251    HA   SER  32           HA       SER  32 -10.195   1.691  -4.313
  252    HB2  SER  32           HB2      SER  32 -10.222  -0.832  -4.290
  253    HB3  SER  32           HB3      SER  32 -10.493  -0.736  -2.539
  254    HG   SER  32           HG       SER  32 -12.432  -0.881  -3.808
  255    H    GLY  33           H        GLY  33 -12.162   1.915  -2.708
  256    HA2  GLY  33           HA2      GLY  33 -11.799   2.690   0.010
  257    HA3  GLY  33           HA3      GLY  33 -11.602   4.130  -0.991
  258    H1'  ALL 101           H1       ALL  34  11.933   2.156  -0.455
  259    H2'  ALL 101           H2       ALL  34  13.624   4.374  -1.731
  260    H3'  ALL 101           H3       ALL  34  11.660   4.971  -3.046
  261    H4'  ALL 101           H4       ALL  34  13.142   3.358  -4.106
  262    H5'  ALL 101           H5       ALL  34  11.523   1.150  -2.762
  263   H6'1  ALL 101          H62       ALL  34  12.617   0.635  -5.052
  264   H6'2  ALL 101          H61       ALL  34  13.068  -0.412  -3.692
  265   HO'2  ALL 101          H2O       ALL  34  11.574   4.408   0.245
  266   HO'3  ALL 101          H3O       ALL  34   9.989   4.301  -1.694
  267   HO'4  ALL 101          H4O       ALL  34  10.353   2.869  -4.257
  268   HO'6  ALL 101          H6O       ALL  34  14.857   1.093  -3.349
  Start of MODEL   18
    1    H1   LYS   1           H1       LYS   1 -12.195  -6.116   3.002
    2    H2   LYS   1           H2       LYS   1 -12.052  -6.244   4.624
    3    H3   LYS   1           H3       LYS   1 -10.779  -6.608   3.665
    4    HA   LYS   1           HA       LYS   1 -12.014  -3.955   3.992
    5    HB2  LYS   1           HB2      LYS   1 -10.740  -4.722   5.961
    6    HB3  LYS   1           HB3      LYS   1  -9.280  -4.862   4.999
    7    HG2  LYS   1           HG2      LYS   1 -10.799  -2.233   5.049
    8    HG3  LYS   1           HG3      LYS   1  -9.906  -2.709   6.477
    9    HD2  LYS   1           HD2      LYS   1  -8.652  -2.283   3.732
   10    HD3  LYS   1           HD3      LYS   1  -8.647  -1.161   5.091
   11    HE2  LYS   1           HE2      LYS   1  -7.555  -3.073   6.465
   12    HE3  LYS   1           HE3      LYS   1  -7.242  -3.856   4.906
   13    HZ1  LYS   1           HZ1      LYS   1  -5.369  -2.502   5.592
   14    HZ2  LYS   1           HZ2      LYS   1  -6.019  -1.835   4.246
   15    HZ3  LYS   1           HZ3      LYS   1  -6.289  -1.163   5.716
   16    H    LEU   2           H        LEU   2  -8.878  -5.280   2.798
   17    HA   LEU   2           HA       LEU   2  -8.831  -3.428   0.531
   18    HB2  LEU   2           HB2      LEU   2  -7.111  -5.792   1.396
   19    HB3  LEU   2           HB3      LEU   2  -6.778  -4.839  -0.053
   20    HG   LEU   2           HG       LEU   2  -6.907  -3.588   2.710
   21   HD11  LEU   2          HD11      LEU   2  -5.116  -5.238   2.703
   22   HD12  LEU   2          HD12      LEU   2  -4.484  -4.579   1.174
   23   HD13  LEU   2          HD13      LEU   2  -4.439  -3.600   2.661
   24   HD21  LEU   2          HD21      LEU   2  -5.596  -1.793   1.618
   25   HD22  LEU   2          HD22      LEU   2  -5.697  -2.673   0.081
   26   HD23  LEU   2          HD23      LEU   2  -7.165  -1.996   0.826
   27    HA   PRO   3           HA       PRO   3 -10.859  -6.040  -2.426
   28    HB2  PRO   3           HB2      PRO   3  -8.815  -5.577  -4.528
   29    HB3  PRO   3           HB3      PRO   3 -10.530  -5.088  -4.491
   30    HG2  PRO   3           HG2      PRO   3  -8.482  -3.280  -4.190
   31    HG3  PRO   3           HG3      PRO   3 -10.055  -3.111  -3.344
   32    HD2  PRO   3           HD2      PRO   3  -7.463  -4.270  -2.290
   33    HD3  PRO   3           HD3      PRO   3  -8.551  -3.085  -1.513
   34    HA   PRO   4           HA       PRO   4  -9.380 -10.125  -2.552
   35    HB2  PRO   4           HB2      PRO   4  -9.699 -10.237  -5.559
   36    HB3  PRO   4           HB3      PRO   4 -10.223 -11.424  -4.323
   37    HG2  PRO   4           HG2      PRO   4 -12.017  -9.685  -5.347
   38    HG3  PRO   4           HG3      PRO   4 -11.979  -9.965  -3.573
   39    HD2  PRO   4           HD2      PRO   4 -10.771  -7.673  -5.143
   40    HD3  PRO   4           HD3      PRO   4 -11.719  -7.631  -3.624
   41    H    GLY   5           H        GLY   5  -7.401 -10.792  -2.174
   42    HA2  GLY   5           HA2      GLY   5  -5.258 -11.571  -2.586
   43    HA3  GLY   5           HA3      GLY   5  -5.281 -10.832  -4.196
   44    H    TRP   6           H        TRP   6  -6.074  -8.176  -2.529
   45    HA   TRP   6           HA       TRP   6  -3.336  -7.186  -2.482
   46    HB2  TRP   6           HB2      TRP   6  -5.985  -5.923  -1.844
   47    HB3  TRP   6           HB3      TRP   6  -4.446  -5.085  -1.621
   48    HD1  TRP   6           HD1      TRP   6  -6.780  -6.345  -4.327
   49    HE1  TRP   6           HE1      TRP   6  -6.181  -5.276  -6.591
   50    HE3  TRP   6           HE3      TRP   6  -2.319  -4.212  -3.037
   51    HZ2  TRP   6           HZ2      TRP   6  -3.960  -3.833  -7.729
   52    HZ3  TRP   6           HZ3      TRP   6  -0.954  -3.025  -4.756
   53    HH2  TRP   6           HH2      TRP   6  -1.756  -2.842  -7.090
   54    H    GLU   7           H        GLU   7  -1.973  -6.860  -0.895
   55    HA   GLU   7           HA       GLU   7  -2.791  -6.770   1.954
   56    HB2  GLU   7           HB2      GLU   7  -0.710  -8.647   0.747
   57    HB3  GLU   7           HB3      GLU   7  -0.805  -8.293   2.461
   58    HG2  GLU   7           HG2      GLU   7  -2.980  -9.665   0.829
   59    HG3  GLU   7           HG3      GLU   7  -1.810 -10.452   1.870
   60    H    LYS   8           H        LYS   8  -1.038  -5.951   3.356
   61    HA   LYS   8           HA       LYS   8   0.559  -3.835   2.116
   62    HB2  LYS   8           HB2      LYS   8   0.244  -4.804   4.965
   63    HB3  LYS   8           HB3      LYS   8   1.549  -3.697   4.506
   64    HG2  LYS   8           HG2      LYS   8  -0.055  -2.092   3.575
   65    HG3  LYS   8           HG3      LYS   8  -1.391  -3.189   3.937
   66    HD2  LYS   8           HD2      LYS   8  -1.367  -1.501   5.634
   67    HD3  LYS   8           HD3      LYS   8  -0.800  -3.001   6.389
   68    HE2  LYS   8           HE2      LYS   8   1.568  -2.209   6.101
   69    HE3  LYS   8           HE3      LYS   8   0.961  -0.726   5.354
   70    HZ1  LYS   8           HZ1      LYS   8  -0.163  -0.207   7.451
   71    HZ2  LYS   8           HZ2      LYS   8   0.387  -1.583   8.140
   72    HZ3  LYS   8           HZ3      LYS   8   1.436  -0.408   7.715
   73    H    ARG   9           H        ARG   9   2.658  -3.614   1.933
   74    HA   ARG   9           HA       ARG   9   4.532  -5.905   2.231
   75    HB2  ARG   9           HB2      ARG   9   3.290  -5.855  -0.048
   76    HB3  ARG   9           HB3      ARG   9   4.148  -4.359  -0.374
   77    HG2  ARG   9           HG2      ARG   9   5.254  -6.146  -1.494
   78    HG3  ARG   9           HG3      ARG   9   6.322  -5.642  -0.172
   79    HD2  ARG   9           HD2      ARG   9   5.473  -7.580   1.180
   80    HD3  ARG   9           HD3      ARG   9   4.475  -8.079  -0.199
   81    HE   ARG   9           HE       ARG   9   7.359  -8.416   0.163
   82   HH11  ARG   9          HH11      ARG   9   4.889  -8.332  -2.337
   83   HH12  ARG   9          HH12      ARG   9   5.892  -9.194  -3.465
   84   HH21  ARG   9          HH21      ARG   9   8.561  -9.512  -1.327
   85   HH22  ARG   9          HH22      ARG   9   7.906  -9.838  -2.908
   86    H    MET  10           H        MET  10   6.850  -5.146   1.790
   87    HA   MET  10           HA       MET  10   7.303  -2.271   2.196
   88    HB2  MET  10           HB2      MET  10   6.718  -3.186   4.459
   89    HB3  MET  10           HB3      MET  10   8.103  -4.289   4.324
   90    HG2  MET  10           HG2      MET  10   9.545  -2.180   4.029
   91    HG3  MET  10           HG3      MET  10   8.130  -1.256   4.515
   92    HE1  MET  10           HE1      MET  10   7.177  -1.219   7.043
   93    HE2  MET  10           HE2      MET  10   6.794  -2.946   6.823
   94    HE3  MET  10           HE3      MET  10   7.670  -2.402   8.267
   95    H    PHE  11           H        PHE  11   9.164  -1.596   1.462
   96    HA   PHE  11           HA       PHE  11  11.093  -3.325   0.168
   97    HB2  PHE  11           HB2      PHE  11  10.908  -0.343   0.594
   98    HB3  PHE  11           HB3      PHE  11  12.267  -1.108  -0.234
   99    HD1  PHE  11           HD1      PHE  11   8.955   0.241  -0.678
  100    HD2  PHE  11           HD2      PHE  11  11.801  -2.583  -2.292
  101    HE1  PHE  11           HE1      PHE  11   7.769   0.270  -2.848
  102    HE2  PHE  11           HE2      PHE  11  10.605  -2.536  -4.465
  103    HZ   PHE  11           HZ       PHE  11   8.587  -1.106  -4.748
  104    H    ALA  12           H        ALA  12  13.418  -3.303   0.496
  105    HA   ALA  12           HA       ALA  12  14.173  -3.994   3.137
  106    HB1  ALA  12           HB1      ALA  12  16.441  -4.118   2.173
  107    HB2  ALA  12           HB2      ALA  12  15.244  -4.832   1.077
  108    HB3  ALA  12           HB3      ALA  12  15.898  -3.210   0.745
  109    H    ASN  13           H        ASN  13  14.124  -0.834   1.666
  110    HA   ASN  13           HA       ASN  13  15.860   0.452   3.656
  111    HB2  ASN  13           HB2      ASN  13  15.269   2.524   2.439
  112    HB3  ASN  13           HB3      ASN  13  15.872   1.249   1.369
  113   HD21  ASN  13          HD21      ASN  13  14.877   2.527  -0.335
  114    H    GLY  14           H        GLY  14  12.725  -0.704   3.922
  115    HA2  GLY  14           HA2      GLY  14  11.298  -0.442   5.746
  116    HA3  GLY  14           HA3      GLY  14  12.110   1.062   6.214
  117    H    THR  15           H        THR  15  11.013   0.720   2.881
  118    HA   THR  15           HA       THR  15   8.906   2.783   3.328
  119    HB   THR  15           HB       THR  15   9.956   1.629   0.727
  120    HG1  THR  15           HG1      THR  15  11.527   2.702   1.727
  121   HG21  THR  15          HG21      THR  15   8.973   3.762  -0.220
  122   HG22  THR  15          HG22      THR  15   7.811   2.530   0.285
  123   HG23  THR  15          HG23      THR  15   8.105   3.959   1.316
  124    H    VAL  16           H        VAL  16   6.779   2.306   3.377
  125    HA   VAL  16           HA       VAL  16   5.902  -0.494   2.898
  126    HB   VAL  16           HB       VAL  16   4.619   1.894   4.275
  127   HG11  VAL  16          HG11      VAL  16   2.768   0.621   3.287
  128   HG12  VAL  16          HG12      VAL  16   3.446  -0.899   3.919
  129   HG13  VAL  16          HG13      VAL  16   2.834   0.353   5.025
  130   HG21  VAL  16          HG21      VAL  16   4.824   0.475   6.285
  131   HG22  VAL  16          HG22      VAL  16   5.557  -0.815   5.312
  132   HG23  VAL  16          HG23      VAL  16   6.412   0.729   5.543
  133    H    TYR  17           H        TYR  17   4.357  -1.086   1.495
  134    HA   TYR  17           HA       TYR  17   2.814   0.794  -0.135
  135    HB2  TYR  17           HB2      TYR  17   3.634   0.052  -2.260
  136    HB3  TYR  17           HB3      TYR  17   4.989   0.640  -1.348
  137    HD1  TYR  17           HD1      TYR  17   6.555  -1.107  -0.197
  138    HD2  TYR  17           HD2      TYR  17   3.703  -2.071  -3.290
  139    HE1  TYR  17           HE1      TYR  17   7.895  -3.113  -0.826
  140    HE2  TYR  17           HE2      TYR  17   5.028  -4.084  -3.890
  141    HH   TYR  17           HH       TYR  17   6.988  -5.217  -3.560
  142    H    TYR  18           H        TYR  18   1.689  -0.859  -1.903
  143    HA   TYR  18           HA       TYR  18   0.580  -3.150  -0.341
  144    HB2  TYR  18           HB2      TYR  18  -0.879  -1.263  -2.222
  145    HB3  TYR  18           HB3      TYR  18  -1.571  -2.663  -1.389
  146    HD1  TYR  18           HD1      TYR  18  -2.175  -2.571   0.973
  147    HD2  TYR  18           HD2      TYR  18  -0.183   0.745  -0.938
  148    HE1  TYR  18           HE1      TYR  18  -2.600  -1.152   2.977
  149    HE2  TYR  18           HE2      TYR  18  -0.529   2.136   1.077
  150    HH   TYR  18           HH       TYR  18  -1.369   2.205   3.207
  151    H    PHE  19           H        PHE  19   0.149  -5.027  -1.399
  152    HA   PHE  19           HA       PHE  19   1.041  -5.346  -4.233
  153    HB2  PHE  19           HB2      PHE  19   2.991  -5.642  -2.780
  154    HB3  PHE  19           HB3      PHE  19   2.107  -6.838  -1.815
  155    HD1  PHE  19           HD1      PHE  19   3.312  -6.092  -5.251
  156    HD2  PHE  19           HD2      PHE  19   2.103  -9.173  -2.485
  157    HE1  PHE  19           HE1      PHE  19   4.011  -7.800  -6.873
  158    HE2  PHE  19           HE2      PHE  19   2.879 -10.902  -4.091
  159    HZ   PHE  19           HZ       PHE  19   3.835 -10.234  -6.287
  160    H    ASN  20           H        ASN  20  -0.072  -6.851  -5.372
  161    HA   ASN  20           HA       ASN  20  -2.192  -8.372  -3.952
  162    HB2  ASN  20           HB2      ASN  20  -2.715  -6.897  -5.931
  163    HB3  ASN  20           HB3      ASN  20  -1.824  -8.053  -6.942
  164   HD21  ASN  20          HD21      ASN  20  -5.622  -8.855  -5.932
  165   HD22  ASN  20          HD22      ASN  20  -4.870  -7.264  -5.893
  166    H    HIS  21           H        HIS  21  -1.751 -10.410  -3.339
  167    HA   HIS  21           HA       HIS  21   0.629 -11.773  -4.267
  168    HB2  HIS  21           HB2      HIS  21   0.266 -13.269  -2.584
  169    HB3  HIS  21           HB3      HIS  21  -0.523 -11.829  -1.938
  170    HD2  HIS  21           HD2      HIS  21  -3.094 -12.066  -1.318
  171    HE1  HIS  21           HE1      HIS  21  -3.659 -16.103  -2.560
  172    HE2  HIS  21           HE2      HIS  21  -4.699 -14.152  -1.297
  173    H    ILE  22           H        ILE  22  -2.649 -11.824  -5.416
  174    HA   ILE  22           HA       ILE  22  -2.473 -14.445  -6.735
  175    HB   ILE  22           HB       ILE  22  -4.610 -12.272  -6.857
  176   HG12  ILE  22          HG12      ILE  22  -4.475 -14.746  -5.066
  177   HG13  ILE  22          HG13      ILE  22  -4.250 -13.074  -4.527
  178   HG21  ILE  22          HG21      ILE  22  -4.744 -15.225  -7.593
  179   HG22  ILE  22          HG22      ILE  22  -6.098 -14.072  -7.648
  180   HG23  ILE  22          HG23      ILE  22  -4.740 -13.863  -8.738
  181   HD11  ILE  22          HD11      ILE  22  -6.425 -13.660  -3.899
  182   HD12  ILE  22          HD12      ILE  22  -6.593 -12.562  -5.283
  183   HD13  ILE  22          HD13      ILE  22  -6.827 -14.317  -5.496
  184    H    THR  23           H        THR  23  -2.469 -11.010  -7.610
  185    HA   THR  23           HA       THR  23  -2.050 -11.661 -10.476
  186    HB   THR  23           HB       THR  23  -3.141  -9.684 -11.059
  187    HG1  THR  23           HG1      THR  23  -3.897  -8.396  -9.130
  188   HG21  THR  23          HG21      THR  23  -5.323  -9.812 -10.065
  189   HG22  THR  23          HG22      THR  23  -4.689 -11.464 -10.143
  190   HG23  THR  23          HG23      THR  23  -4.700 -10.588  -8.596
  191    H    ASN  24           H        ASN  24  -0.127 -10.678  -8.006
  192    HA   ASN  24           HA       ASN  24   1.747  -9.598  -7.689
  193    HB2  ASN  24           HB2      ASN  24   3.594  -9.890  -9.229
  194    HB3  ASN  24           HB3      ASN  24   2.664 -11.365  -8.969
  195   HD21  ASN  24          HD21      ASN  24   2.024 -12.494 -10.773
  196   HD22  ASN  24          HD22      ASN  24   2.125 -11.839 -12.410
  197    H    ALA  25           H        ALA  25  -0.492  -7.936  -8.835
  198    HA   ALA  25           HA       ALA  25   0.739  -5.559  -9.911
  199    HB1  ALA  25           HB1      ALA  25  -1.680  -6.094 -10.102
  200    HB2  ALA  25           HB2      ALA  25  -1.850  -5.939  -8.339
  201    HB3  ALA  25           HB3      ALA  25  -1.413  -4.523  -9.315
  202    H    SER  26           H        SER  26   1.194  -3.573  -8.816
  203    HA   SER  26           HA       SER  26   1.404  -3.606  -5.868
  204    HB2  SER  26           HB2      SER  26   3.677  -2.741  -5.888
  205    HB3  SER  26           HB3      SER  26   3.590  -4.352  -6.608
  206    HG   SER  26           HG       SER  26   4.879  -2.955  -7.855
  207    H    GLN  27           H        GLN  27   1.366  -1.565  -4.870
  208    HA   GLN  27           HA       GLN  27   1.206   0.902  -6.430
  209    HB2  GLN  27           HB2      GLN  27  -1.021  -0.002  -6.836
  210    HB3  GLN  27           HB3      GLN  27  -1.240  -0.334  -5.121
  211    HG2  GLN  27           HG2      GLN  27  -2.578   1.535  -5.761
  212    HG3  GLN  27           HG3      GLN  27  -1.341   2.070  -4.644
  213   HE21  GLN  27          HE21      GLN  27  -2.979   3.224  -7.182
  214   HE22  GLN  27          HE22      GLN  27  -1.705   4.199  -7.925
  215    H    PHE  28           H        PHE  28   1.360   2.767  -5.169
  216    HA   PHE  28           HA       PHE  28   2.321   2.344  -2.406
  217    HB2  PHE  28           HB2      PHE  28   2.519   4.683  -4.290
  218    HB3  PHE  28           HB3      PHE  28   2.931   4.798  -2.576
  219    HD1  PHE  28           HD1      PHE  28   3.989   3.470  -5.828
  220    HD2  PHE  28           HD2      PHE  28   4.839   3.540  -1.596
  221    HE1  PHE  28           HE1      PHE  28   6.279   2.617  -6.273
  222    HE2  PHE  28           HE2      PHE  28   7.129   2.695  -2.051
  223    HZ   PHE  28           HZ       PHE  28   7.854   2.239  -4.385
  224    H    GLU  29           H        GLU  29  -0.361   4.072  -3.890
  225    HA   GLU  29           HA       GLU  29  -1.441   5.034  -1.345
  226    HB2  GLU  29           HB2      GLU  29  -2.681   4.722  -4.110
  227    HB3  GLU  29           HB3      GLU  29  -3.490   5.479  -2.746
  228    HG2  GLU  29           HG2      GLU  29  -0.916   6.466  -4.054
  229    HG3  GLU  29           HG3      GLU  29  -2.529   7.110  -4.328
  230    H    ARG  30           H        ARG  30  -3.357   4.265  -0.294
  231    HA   ARG  30           HA       ARG  30  -3.456   1.411  -0.019
  232    HB2  ARG  30           HB2      ARG  30  -4.051   3.231   1.718
  233    HB3  ARG  30           HB3      ARG  30  -5.622   3.307   0.921
  234    HG2  ARG  30           HG2      ARG  30  -5.337   0.567   1.300
  235    HG3  ARG  30           HG3      ARG  30  -4.407   1.204   2.665
  236    HD2  ARG  30           HD2      ARG  30  -6.581   0.913   3.503
  237    HD3  ARG  30           HD3      ARG  30  -6.466   2.656   3.195
  238    HE   ARG  30           HE       ARG  30  -7.482   1.262   0.872
  239   HH11  ARG  30          HH11      ARG  30  -9.485   1.213   0.296
  240   HH12  ARG  30          HH12      ARG  30 -10.801   1.624   1.404
  241   HH21  ARG  30          HH21      ARG  30 -10.335   2.242   3.449
  242   HH22  ARG  30          HH22      ARG  30  -8.683   2.294   4.028
  243    HA   PRO  31           HA       PRO  31  -6.221   0.548  -3.500
  244    HB2  PRO  31           HB2      PRO  31  -6.561  -2.018  -1.960
  245    HB3  PRO  31           HB3      PRO  31  -6.326  -1.792  -3.720
  246    HG2  PRO  31           HG2      PRO  31  -4.247  -2.531  -2.156
  247    HG3  PRO  31           HG3      PRO  31  -4.010  -1.261  -3.406
  248    HD2  PRO  31           HD2      PRO  31  -4.419  -0.917  -0.426
  249    HD3  PRO  31           HD3      PRO  31  -3.296  -0.087  -1.529
  250    H    SER  32           H        SER  32  -8.478  -0.138  -3.904
  251    HA   SER  32           HA       SER  32 -10.264   1.502  -2.554
  252    HB2  SER  32           HB2      SER  32 -10.856  -0.884  -4.342
  253    HB3  SER  32           HB3      SER  32 -12.022   0.377  -3.897
  254    HG   SER  32           HG       SER  32 -11.017   0.820  -5.899
  255    H    GLY  33           H        GLY  33 -12.058   1.264  -1.255
  256    HA2  GLY  33           HA2      GLY  33 -13.338  -0.912  -0.162
  257    HA3  GLY  33           HA3      GLY  33 -11.907  -0.762   0.857
  258    H1'  ALL 101           H1       ALL  34  12.002   1.805  -0.663
  259    H2'  ALL 101           H2       ALL  34  13.636   3.991  -2.062
  260    H3'  ALL 101           H3       ALL  34  11.651   4.468  -3.394
  261    H4'  ALL 101           H4       ALL  34  13.154   2.820  -4.372
  262    H5'  ALL 101           H5       ALL  34  11.600   0.679  -2.856
  263   H6'1  ALL 101          H62       ALL  34  13.908   0.573  -4.826
  264   H6'2  ALL 101          H61       ALL  34  12.413  -0.387  -4.833
  265   HO'2  ALL 101          H2O       ALL  34  11.634   4.088  -0.049
  266   HO'3  ALL 101          H3O       ALL  34  10.010   3.849  -1.978
  267   HO'4  ALL 101          H4O       ALL  34  10.379   2.254  -4.464
  268   HO'6  ALL 101          H6O       ALL  34  14.152  -0.462  -2.623
  Start of MODEL   19
    1    H1   LYS   1           H1       LYS   1 -11.024  -5.777   4.812
    2    H2   LYS   1           H2       LYS   1 -10.376  -6.049   6.284
    3    H3   LYS   1           H3       LYS   1  -9.625  -6.618   4.949
    4    HA   LYS   1           HA       LYS   1 -10.039  -3.792   5.655
    5    HB2  LYS   1           HB2      LYS   1  -7.642  -3.573   5.997
    6    HB3  LYS   1           HB3      LYS   1  -8.396  -4.675   7.137
    7    HG2  LYS   1           HG2      LYS   1  -7.484  -6.622   5.882
    8    HG3  LYS   1           HG3      LYS   1  -6.708  -5.511   4.738
    9    HD2  LYS   1           HD2      LYS   1  -5.467  -4.471   6.665
   10    HD3  LYS   1           HD3      LYS   1  -6.087  -5.762   7.704
   11    HE2  LYS   1           HE2      LYS   1  -4.427  -6.148   5.165
   12    HE3  LYS   1           HE3      LYS   1  -3.770  -6.173   6.801
   13    HZ1  LYS   1           HZ1      LYS   1  -5.025  -8.146   7.275
   14    HZ2  LYS   1           HZ2      LYS   1  -5.842  -8.074   5.855
   15    HZ3  LYS   1           HZ3      LYS   1  -4.251  -8.397   5.844
   16    H    LEU   2           H        LEU   2  -8.184  -5.816   3.308
   17    HA   LEU   2           HA       LEU   2  -8.303  -3.568   1.356
   18    HB2  LEU   2           HB2      LEU   2  -6.259  -5.643   2.096
   19    HB3  LEU   2           HB3      LEU   2  -6.437  -5.267   0.382
   20    HG   LEU   2           HG       LEU   2  -6.123  -2.841   0.879
   21   HD11  LEU   2          HD11      LEU   2  -5.313  -3.819   3.646
   22   HD12  LEU   2          HD12      LEU   2  -4.917  -2.230   2.968
   23   HD13  LEU   2          HD13      LEU   2  -6.616  -2.664   3.262
   24   HD21  LEU   2          HD21      LEU   2  -3.774  -2.972   1.003
   25   HD22  LEU   2          HD22      LEU   2  -3.803  -4.537   1.861
   26   HD23  LEU   2          HD23      LEU   2  -4.289  -4.425   0.162
   27    HA   PRO   3           HA       PRO   3 -10.780  -5.921  -1.471
   28    HB2  PRO   3           HB2      PRO   3  -9.741  -5.279  -3.947
   29    HB3  PRO   3           HB3      PRO   3 -10.685  -4.143  -2.932
   30    HG2  PRO   3           HG2      PRO   3  -7.668  -4.406  -3.123
   31    HG3  PRO   3           HG3      PRO   3  -8.656  -2.920  -3.262
   32    HD2  PRO   3           HD2      PRO   3  -7.471  -3.604  -0.938
   33    HD3  PRO   3           HD3      PRO   3  -9.126  -2.919  -0.937
   34    HA   PRO   4           HA       PRO   4  -9.348  -9.879  -2.173
   35    HB2  PRO   4           HB2      PRO   4 -10.059  -9.753  -5.113
   36    HB3  PRO   4           HB3      PRO   4 -10.406 -11.051  -3.923
   37    HG2  PRO   4           HG2      PRO   4 -12.328  -9.254  -4.523
   38    HG3  PRO   4           HG3      PRO   4 -12.033  -9.679  -2.803
   39    HD2  PRO   4           HD2      PRO   4 -11.078  -7.250  -4.336
   40    HD3  PRO   4           HD3      PRO   4 -11.782  -7.352  -2.692
   41    H    GLY   5           H        GLY   5  -7.436 -10.788  -2.221
   42    HA2  GLY   5           HA2      GLY   5  -5.354 -11.509  -2.900
   43    HA3  GLY   5           HA3      GLY   5  -5.534 -10.617  -4.421
   44    H    TRP   6           H        TRP   6  -6.056  -8.051  -2.691
   45    HA   TRP   6           HA       TRP   6  -3.267  -7.220  -2.627
   46    HB2  TRP   6           HB2      TRP   6  -5.818  -5.747  -1.958
   47    HB3  TRP   6           HB3      TRP   6  -4.192  -5.064  -1.864
   48    HD1  TRP   6           HD1      TRP   6  -6.714  -6.214  -4.479
   49    HE1  TRP   6           HE1      TRP   6  -6.113  -5.140  -6.737
   50    HE3  TRP   6           HE3      TRP   6  -2.158  -4.230  -3.244
   51    HZ2  TRP   6           HZ2      TRP   6  -3.870  -3.747  -7.900
   52    HZ3  TRP   6           HZ3      TRP   6  -0.806  -3.038  -4.956
   53    HH2  TRP   6           HH2      TRP   6  -1.638  -2.806  -7.282
   54    H    GLU   7           H        GLU   7  -1.930  -6.851  -0.994
   55    HA   GLU   7           HA       GLU   7  -2.818  -6.772   1.821
   56    HB2  GLU   7           HB2      GLU   7  -1.281  -8.991   0.548
   57    HB3  GLU   7           HB3      GLU   7  -0.519  -8.343   1.980
   58    HG2  GLU   7           HG2      GLU   7  -3.366  -9.396   1.854
   59    HG3  GLU   7           HG3      GLU   7  -1.963 -10.265   2.466
   60    H    LYS   8           H        LYS   8  -1.004  -6.165   3.291
   61    HA   LYS   8           HA       LYS   8   0.546  -3.914   2.250
   62    HB2  LYS   8           HB2      LYS   8   0.336  -5.243   4.957
   63    HB3  LYS   8           HB3      LYS   8   1.661  -4.123   4.605
   64    HG2  LYS   8           HG2      LYS   8   0.069  -2.366   3.945
   65    HG3  LYS   8           HG3      LYS   8  -1.283  -3.463   4.250
   66    HD2  LYS   8           HD2      LYS   8  -1.085  -1.979   6.129
   67    HD3  LYS   8           HD3      LYS   8  -0.569  -3.585   6.665
   68    HE2  LYS   8           HE2      LYS   8   1.816  -2.901   6.381
   69    HE3  LYS   8           HE3      LYS   8   1.293  -1.312   5.810
   70    HZ1  LYS   8           HZ1      LYS   8   1.860  -1.270   8.169
   71    HZ2  LYS   8           HZ2      LYS   8   0.270  -0.942   7.992
   72    HZ3  LYS   8           HZ3      LYS   8   0.750  -2.415   8.516
   73    H    ARG   9           H        ARG   9   2.633  -3.625   1.975
   74    HA   ARG   9           HA       ARG   9   4.570  -5.880   2.002
   75    HB2  ARG   9           HB2      ARG   9   3.183  -5.379  -0.284
   76    HB3  ARG   9           HB3      ARG   9   4.367  -4.102  -0.436
   77    HG2  ARG   9           HG2      ARG   9   5.100  -6.012  -1.677
   78    HG3  ARG   9           HG3      ARG   9   6.189  -5.865  -0.282
   79    HD2  ARG   9           HD2      ARG   9   5.079  -7.703   0.851
   80    HD3  ARG   9           HD3      ARG   9   3.747  -7.687  -0.332
   81    HE   ARG   9           HE       ARG   9   6.319  -8.157  -1.589
   82   HH11  ARG   9          HH11      ARG   9   6.702 -10.119  -2.550
   83   HH12  ARG   9          HH12      ARG   9   5.746 -11.507  -2.110
   84   HH21  ARG   9          HH21      ARG   9   3.791  -9.843   0.162
   85   HH22  ARG   9          HH22      ARG   9   4.140 -11.361  -0.625
   86    H    MET  10           H        MET  10   6.851  -5.055   1.674
   87    HA   MET  10           HA       MET  10   7.247  -2.181   2.134
   88    HB2  MET  10           HB2      MET  10   6.671  -3.173   4.394
   89    HB3  MET  10           HB3      MET  10   8.137  -4.166   4.261
   90    HG2  MET  10           HG2      MET  10   9.470  -2.023   4.073
   91    HG3  MET  10           HG3      MET  10   7.967  -1.129   4.280
   92    HE1  MET  10           HE1      MET  10  10.842  -3.112   5.890
   93    HE2  MET  10           HE2      MET  10  10.257  -3.486   7.526
   94    HE3  MET  10           HE3      MET  10   9.563  -4.326   6.125
   95    H    PHE  11           H        PHE  11   9.133  -1.441   1.504
   96    HA   PHE  11           HA       PHE  11  11.095  -3.105   0.178
   97    HB2  PHE  11           HB2      PHE  11  10.884  -0.144   0.722
   98    HB3  PHE  11           HB3      PHE  11  12.271  -0.867  -0.096
   99    HD1  PHE  11           HD1      PHE  11  11.759  -2.415  -2.161
  100    HD2  PHE  11           HD2      PHE  11   9.066   0.603  -0.637
  101    HE1  PHE  11           HE1      PHE  11  10.624  -2.301  -4.368
  102    HE2  PHE  11           HE2      PHE  11   7.958   0.722  -2.846
  103    HZ   PHE  11           HZ       PHE  11   8.728  -0.727  -4.715
  104    H    ALA  12           H        ALA  12  13.404  -3.115   0.553
  105    HA   ALA  12           HA       ALA  12  14.118  -3.889   3.187
  106    HB1  ALA  12           HB1      ALA  12  15.877  -3.033   0.843
  107    HB2  ALA  12           HB2      ALA  12  16.402  -3.977   2.254
  108    HB3  ALA  12           HB3      ALA  12  15.224  -4.667   1.122
  109    H    ASN  13           H        ASN  13  14.094  -0.697   1.778
  110    HA   ASN  13           HA       ASN  13  15.770   0.550   3.840
  111    HB2  ASN  13           HB2      ASN  13  15.222   2.640   2.649
  112    HB3  ASN  13           HB3      ASN  13  15.837   1.382   1.566
  113   HD21  ASN  13          HD21      ASN  13  14.912   2.571  -0.188
  114    H    GLY  14           H        GLY  14  12.640  -0.624   4.016
  115    HA2  GLY  14           HA2      GLY  14  11.194  -0.422   5.827
  116    HA3  GLY  14           HA3      GLY  14  11.984   1.077   6.342
  117    H    THR  15           H        THR  15  10.960   0.886   2.988
  118    HA   THR  15           HA       THR  15   8.793   2.863   3.501
  119    HB   THR  15           HB       THR  15   9.950   1.910   0.867
  120    HG1  THR  15           HG1      THR  15  11.469   2.949   1.947
  121   HG21  THR  15          HG21      THR  15   7.803   2.789   0.399
  122   HG22  THR  15          HG22      THR  15   8.002   4.135   1.559
  123   HG23  THR  15          HG23      THR  15   8.937   4.098   0.052
  124    H    VAL  16           H        VAL  16   6.684   2.348   3.475
  125    HA   VAL  16           HA       VAL  16   5.900  -0.452   2.894
  126    HB   VAL  16           HB       VAL  16   4.499   1.839   4.315
  127   HG11  VAL  16          HG11      VAL  16   2.740   0.442   3.322
  128   HG12  VAL  16          HG12      VAL  16   3.520  -1.027   3.958
  129   HG13  VAL  16          HG13      VAL  16   2.821   0.179   5.061
  130   HG21  VAL  16          HG21      VAL  16   6.373   0.808   5.579
  131   HG22  VAL  16          HG22      VAL  16   4.811   0.431   6.319
  132   HG23  VAL  16          HG23      VAL  16   5.641  -0.795   5.345
  133    H    TYR  17           H        TYR  17   4.384  -1.063   1.485
  134    HA   TYR  17           HA       TYR  17   2.759   0.784  -0.093
  135    HB2  TYR  17           HB2      TYR  17   3.517   0.015  -2.255
  136    HB3  TYR  17           HB3      TYR  17   4.846   0.733  -1.404
  137    HD1  TYR  17           HD1      TYR  17   6.602  -0.829  -0.295
  138    HD2  TYR  17           HD2      TYR  17   3.707  -2.145  -3.221
  139    HE1  TYR  17           HE1      TYR  17   8.053  -2.761  -0.879
  140    HE2  TYR  17           HE2      TYR  17   5.151  -4.093  -3.769
  141    HH   TYR  17           HH       TYR  17   8.359  -4.541  -2.263
  142    H    TYR  18           H        TYR  18   1.723  -1.016  -1.909
  143    HA   TYR  18           HA       TYR  18   0.751  -3.322  -0.280
  144    HB2  TYR  18           HB2      TYR  18  -0.944  -1.506  -2.026
  145    HB3  TYR  18           HB3      TYR  18  -1.499  -2.872  -1.048
  146    HD1  TYR  18           HD1      TYR  18  -0.338   0.630  -0.998
  147    HD2  TYR  18           HD2      TYR  18  -1.694  -2.667   1.441
  148    HE1  TYR  18           HE1      TYR  18  -0.631   2.171   0.935
  149    HE2  TYR  18           HE2      TYR  18  -2.071  -1.112   3.332
  150    HH   TYR  18           HH       TYR  18  -1.881   1.029   4.090
  151    H    PHE  19           H        PHE  19   0.191  -5.138  -1.417
  152    HA   PHE  19           HA       PHE  19   1.052  -5.398  -4.269
  153    HB2  PHE  19           HB2      PHE  19   3.016  -5.720  -2.913
  154    HB3  PHE  19           HB3      PHE  19   2.156  -6.871  -1.872
  155    HD1  PHE  19           HD1      PHE  19   3.218  -6.272  -5.381
  156    HD2  PHE  19           HD2      PHE  19   2.142  -9.231  -2.433
  157    HE1  PHE  19           HE1      PHE  19   3.835  -8.044  -6.958
  158    HE2  PHE  19           HE2      PHE  19   2.838 -11.027  -3.998
  159    HZ   PHE  19           HZ       PHE  19   3.684 -10.455  -6.267
  160    H    ASN  20           H        ASN  20  -0.085  -6.842  -5.451
  161    HA   ASN  20           HA       ASN  20  -2.206  -8.393  -4.079
  162    HB2  ASN  20           HB2      ASN  20  -2.721  -6.875  -6.022
  163    HB3  ASN  20           HB3      ASN  20  -1.828  -8.004  -7.057
  164   HD21  ASN  20          HD21      ASN  20  -5.635  -8.825  -6.173
  165   HD22  ASN  20          HD22      ASN  20  -4.887  -7.236  -6.045
  166    H    HIS  21           H        HIS  21  -1.776 -10.430  -3.496
  167    HA   HIS  21           HA       HIS  21   0.592 -11.800  -4.456
  168    HB2  HIS  21           HB2      HIS  21   0.242 -13.293  -2.762
  169    HB3  HIS  21           HB3      HIS  21  -0.524 -11.845  -2.109
  170    HD2  HIS  21           HD2      HIS  21  -3.109 -12.034  -1.493
  171    HE1  HIS  21           HE1      HIS  21  -3.722 -16.079  -2.683
  172    HE2  HIS  21           HE2      HIS  21  -4.740 -14.099  -1.449
  173    H    ILE  22           H        ILE  22  -2.690 -11.806  -5.572
  174    HA   ILE  22           HA       ILE  22  -2.570 -14.436  -6.882
  175    HB   ILE  22           HB       ILE  22  -4.674 -12.230  -7.006
  176   HG12  ILE  22          HG12      ILE  22  -4.532 -14.668  -5.167
  177   HG13  ILE  22          HG13      ILE  22  -4.324 -12.979  -4.668
  178   HG21  ILE  22          HG21      ILE  22  -4.835 -13.854  -8.860
  179   HG22  ILE  22          HG22      ILE  22  -4.859 -15.193  -7.690
  180   HG23  ILE  22          HG23      ILE  22  -6.192 -14.016  -7.763
  181   HD11  ILE  22          HD11      ILE  22  -6.891 -14.276  -5.602
  182   HD12  ILE  22          HD12      ILE  22  -6.492 -13.590  -4.018
  183   HD13  ILE  22          HD13      ILE  22  -6.678 -12.515  -5.419
  184    H    THR  23           H        THR  23  -2.523 -11.002  -7.767
  185    HA   THR  23           HA       THR  23  -2.121 -11.664 -10.632
  186    HB   THR  23           HB       THR  23  -3.130  -9.643 -11.210
  187    HG1  THR  23           HG1      THR  23  -3.849  -8.357  -9.248
  188   HG21  THR  23          HG21      THR  23  -4.748 -11.366 -10.317
  189   HG22  THR  23          HG22      THR  23  -4.730 -10.509  -8.759
  190   HG23  THR  23          HG23      THR  23  -5.318  -9.693 -10.222
  191    H    ASN  24           H        ASN  24  -0.190 -10.659  -8.121
  192    HA   ASN  24           HA       ASN  24   1.826  -9.782  -7.890
  193    HB2  ASN  24           HB2      ASN  24   2.229 -10.381 -10.837
  194    HB3  ASN  24           HB3      ASN  24   3.503 -10.024  -9.662
  195   HD21  ASN  24          HD21      ASN  24   1.996 -12.559 -11.196
  196   HD22  ASN  24          HD22      ASN  24   2.378 -13.808 -10.006
  197    H    ALA  25           H        ALA  25  -0.465  -7.978  -8.911
  198    HA   ALA  25           HA       ALA  25   0.854  -5.632  -9.976
  199    HB1  ALA  25           HB1      ALA  25  -1.280  -4.536  -9.442
  200    HB2  ALA  25           HB2      ALA  25  -1.567  -6.095 -10.241
  201    HB3  ALA  25           HB3      ALA  25  -1.789  -5.942  -8.484
  202    H    SER  26           H        SER  26   1.337  -3.664  -8.871
  203    HA   SER  26           HA       SER  26   1.515  -3.707  -5.911
  204    HB2  SER  26           HB2      SER  26   3.810  -2.790  -5.979
  205    HB3  SER  26           HB3      SER  26   3.700  -4.458  -6.534
  206    HG   SER  26           HG       SER  26   3.817  -2.158  -8.217
  207    H    GLN  27           H        GLN  27   1.351  -1.715  -4.908
  208    HA   GLN  27           HA       GLN  27   1.321   0.781  -6.449
  209    HB2  GLN  27           HB2      GLN  27  -0.898  -0.140  -6.937
  210    HB3  GLN  27           HB3      GLN  27  -1.200  -0.390  -5.217
  211    HG2  GLN  27           HG2      GLN  27  -2.410   1.547  -6.088
  212    HG3  GLN  27           HG3      GLN  27  -1.280   1.997  -4.822
  213   HE21  GLN  27          HE21      GLN  27  -1.484   1.835  -8.444
  214   HE22  GLN  27          HE22      GLN  27  -0.411   3.220  -8.674
  215    H    PHE  28           H        PHE  28   1.556   2.579  -5.178
  216    HA   PHE  28           HA       PHE  28   2.378   2.098  -2.392
  217    HB2  PHE  28           HB2      PHE  28   3.995   3.254  -3.544
  218    HB3  PHE  28           HB3      PHE  28   2.829   4.355  -4.287
  219    HD1  PHE  28           HD1      PHE  28   4.647   3.567  -1.152
  220    HD2  PHE  28           HD2      PHE  28   2.039   6.356  -3.163
  221    HE1  PHE  28           HE1      PHE  28   5.069   5.244   0.629
  222    HE2  PHE  28           HE2      PHE  28   2.459   8.031  -1.376
  223    HZ   PHE  28           HZ       PHE  28   3.975   7.479   0.521
  224    H    GLU  29           H        GLU  29  -0.200   3.844  -4.000
  225    HA   GLU  29           HA       GLU  29  -1.381   4.860  -1.547
  226    HB2  GLU  29           HB2      GLU  29  -1.829   6.030  -3.570
  227    HB3  GLU  29           HB3      GLU  29  -2.286   4.560  -4.415
  228    HG2  GLU  29           HG2      GLU  29  -4.206   5.925  -4.059
  229    HG3  GLU  29           HG3      GLU  29  -4.379   4.411  -3.192
  230    H    ARG  30           H        ARG  30  -3.158   4.099  -0.420
  231    HA   ARG  30           HA       ARG  30  -3.321   1.268  -0.030
  232    HB2  ARG  30           HB2      ARG  30  -3.561   2.820   1.753
  233    HB3  ARG  30           HB3      ARG  30  -4.956   3.594   1.027
  234    HG2  ARG  30           HG2      ARG  30  -5.106   0.635   1.640
  235    HG3  ARG  30           HG3      ARG  30  -5.133   1.777   2.991
  236    HD2  ARG  30           HD2      ARG  30  -7.260   2.372   2.638
  237    HD3  ARG  30           HD3      ARG  30  -6.974   2.698   0.937
  238    HE   ARG  30           HE       ARG  30  -7.586   0.521   0.332
  239   HH11  ARG  30          HH11      ARG  30  -7.903   0.760   3.839
  240   HH12  ARG  30          HH12      ARG  30  -8.948  -0.645   3.867
  241   HH21  ARG  30          HH21      ARG  30  -8.823  -1.157   0.484
  242   HH22  ARG  30          HH22      ARG  30  -9.432  -1.717   2.051
  243    HA   PRO  31           HA       PRO  31  -5.964   0.638  -3.551
  244    HB2  PRO  31           HB2      PRO  31  -6.154  -2.093  -3.587
  245    HB3  PRO  31           HB3      PRO  31  -4.651  -1.212  -3.987
  246    HG2  PRO  31           HG2      PRO  31  -5.438  -2.441  -1.331
  247    HG3  PRO  31           HG3      PRO  31  -3.888  -2.623  -2.215
  248    HD2  PRO  31           HD2      PRO  31  -4.167  -0.827  -0.198
  249    HD3  PRO  31           HD3      PRO  31  -3.194  -0.448  -1.651
  250    H    SER  32           H        SER  32  -8.102   0.252  -4.136
  251    HA   SER  32           HA       SER  32 -10.020  -0.977  -2.301
  252    HB2  SER  32           HB2      SER  32 -11.456   0.994  -2.083
  253    HB3  SER  32           HB3      SER  32  -9.885   1.258  -1.322
  254    HG   SER  32           HG       SER  32  -9.263   2.507  -3.058
  255    H    GLY  33           H        GLY  33 -12.214  -1.060  -3.197
  256    HA2  GLY  33           HA2      GLY  33 -12.834  -0.445  -5.946
  257    HA3  GLY  33           HA3      GLY  33 -12.346  -2.133  -5.784
  258    H1'  ALL 101           H1       ALL  34  11.990   2.068  -0.505
  259    H2'  ALL 101           H2       ALL  34  13.714   4.263  -1.782
  260    H3'  ALL 101           H3       ALL  34  11.657   4.964  -2.938
  261    H4'  ALL 101           H4       ALL  34  13.089   3.391  -4.125
  262    H5'  ALL 101           H5       ALL  34  11.488   1.146  -2.815
  263   H6'1  ALL 101          H62       ALL  34  12.430   0.641  -5.135
  264   H6'2  ALL 101          H61       ALL  34  13.023  -0.404  -3.828
  265   HO'2  ALL 101          H2O       ALL  34  11.581   4.416   0.133
  266   HO'3  ALL 101          H3O       ALL  34   9.884   3.381  -2.850
  267   HO'4  ALL 101          H4O       ALL  34  11.490   2.653  -5.517
  268   HO'6  ALL 101          H6O       ALL  34  14.822   1.083  -3.636
  Start of MODEL   20
    1    H1   LYS   1           H1       LYS   1 -11.082  -7.189   5.739
    2    H2   LYS   1           H2       LYS   1 -10.433  -8.113   4.552
    3    H3   LYS   1           H3       LYS   1 -11.250  -6.745   4.174
    4    HA   LYS   1           HA       LYS   1  -9.596  -5.370   5.237
    5    HB2  LYS   1           HB2      LYS   1  -9.032  -7.209   6.894
    6    HB3  LYS   1           HB3      LYS   1  -8.024  -7.954   5.671
    7    HG2  LYS   1           HG2      LYS   1  -7.689  -5.143   6.820
    8    HG3  LYS   1           HG3      LYS   1  -6.830  -6.565   7.380
    9    HD2  LYS   1           HD2      LYS   1  -6.520  -5.219   4.675
   10    HD3  LYS   1           HD3      LYS   1  -5.388  -5.176   6.002
   11    HE2  LYS   1           HE2      LYS   1  -6.150  -7.713   4.473
   12    HE3  LYS   1           HE3      LYS   1  -4.730  -6.718   4.157
   13    HZ1  LYS   1           HZ1      LYS   1  -5.234  -8.226   6.654
   14    HZ2  LYS   1           HZ2      LYS   1  -4.053  -8.477   5.525
   15    HZ3  LYS   1           HZ3      LYS   1  -4.005  -7.150   6.447
   16    H    LEU   2           H        LEU   2  -9.092  -4.358   3.424
   17    HA   LEU   2           HA       LEU   2  -8.487  -3.803   1.362
   18    HB2  LEU   2           HB2      LEU   2  -6.471  -6.013   1.826
   19    HB3  LEU   2           HB3      LEU   2  -6.518  -5.151   0.299
   20    HG   LEU   2           HG       LEU   2  -6.247  -3.673   2.935
   21   HD11  LEU   2          HD11      LEU   2  -4.369  -5.275   2.690
   22   HD12  LEU   2          HD12      LEU   2  -4.032  -4.627   1.071
   23   HD13  LEU   2          HD13      LEU   2  -3.834  -3.601   2.511
   24   HD21  LEU   2          HD21      LEU   2  -6.903  -2.279   0.993
   25   HD22  LEU   2          HD22      LEU   2  -5.238  -1.944   1.482
   26   HD23  LEU   2          HD23      LEU   2  -5.548  -2.956   0.055
   27    HA   PRO   3           HA       PRO   3 -10.799  -6.035  -1.671
   28    HB2  PRO   3           HB2      PRO   3  -8.974  -5.295  -3.890
   29    HB3  PRO   3           HB3      PRO   3 -10.678  -4.833  -3.623
   30    HG2  PRO   3           HG2      PRO   3  -8.589  -3.080  -3.318
   31    HG3  PRO   3           HG3      PRO   3 -10.086  -2.992  -2.321
   32    HD2  PRO   3           HD2      PRO   3  -7.415  -4.203  -1.613
   33    HD3  PRO   3           HD3      PRO   3  -8.487  -3.152  -0.635
   34    HA   PRO   4           HA       PRO   4  -9.401 -10.048  -2.520
   35    HB2  PRO   4           HB2      PRO   4  -9.833  -9.694  -5.495
   36    HB3  PRO   4           HB3      PRO   4 -10.312 -11.063  -4.440
   37    HG2  PRO   4           HG2      PRO   4 -12.138  -9.187  -5.094
   38    HG3  PRO   4           HG3      PRO   4 -12.021  -9.738  -3.388
   39    HD2  PRO   4           HD2      PRO   4 -10.875  -7.230  -4.642
   40    HD3  PRO   4           HD3      PRO   4 -11.743  -7.426  -3.087
   41    H    GLY   5           H        GLY   5  -7.436 -10.776  -2.296
   42    HA2  GLY   5           HA2      GLY   5  -5.316 -11.514  -2.828
   43    HA3  GLY   5           HA3      GLY   5  -5.386 -10.639  -4.367
   44    H    TRP   6           H        TRP   6  -6.056  -8.099  -2.529
   45    HA   TRP   6           HA       TRP   6  -3.295  -7.192  -2.483
   46    HB2  TRP   6           HB2      TRP   6  -5.872  -5.871  -1.679
   47    HB3  TRP   6           HB3      TRP   6  -4.290  -5.089  -1.556
   48    HD1  TRP   6           HD1      TRP   6  -6.941  -6.116  -4.029
   49    HE1  TRP   6           HE1      TRP   6  -6.462  -5.143  -6.355
   50    HE3  TRP   6           HE3      TRP   6  -2.201  -4.366  -3.201
   51    HZ2  TRP   6           HZ2      TRP   6  -4.222  -4.012  -7.744
   52    HZ3  TRP   6           HZ3      TRP   6  -0.897  -3.355  -5.091
   53    HH2  TRP   6           HH2      TRP   6  -1.891  -3.188  -7.344
   54    H    GLU   7           H        GLU   7  -1.917  -6.840  -0.868
   55    HA   GLU   7           HA       GLU   7  -2.744  -6.823   1.957
   56    HB2  GLU   7           HB2      GLU   7  -2.329  -9.217   1.378
   57    HB3  GLU   7           HB3      GLU   7  -0.709  -8.800   0.833
   58    HG2  GLU   7           HG2      GLU   7  -0.724  -9.850   3.055
   59    HG3  GLU   7           HG3      GLU   7  -0.035  -8.238   3.105
   60    H    LYS   8           H        LYS   8  -1.043  -5.954   3.367
   61    HA   LYS   8           HA       LYS   8   0.594  -3.896   2.107
   62    HB2  LYS   8           HB2      LYS   8   0.277  -4.844   4.962
   63    HB3  LYS   8           HB3      LYS   8   1.570  -3.723   4.501
   64    HG2  LYS   8           HG2      LYS   8  -0.055  -2.146   3.551
   65    HG3  LYS   8           HG3      LYS   8  -1.375  -3.261   3.916
   66    HD2  LYS   8           HD2      LYS   8  -1.382  -1.562   5.601
   67    HD3  LYS   8           HD3      LYS   8  -0.800  -3.047   6.368
   68    HE2  LYS   8           HE2      LYS   8   1.559  -2.226   6.097
   69    HE3  LYS   8           HE3      LYS   8   0.941  -0.758   5.331
   70    HZ1  LYS   8           HZ1      LYS   8   0.350  -1.598   8.119
   71    HZ2  LYS   8           HZ2      LYS   8   1.386  -0.413   7.694
   72    HZ3  LYS   8           HZ3      LYS   8  -0.212  -0.236   7.411
   73    H    ARG   9           H        ARG   9   2.689  -3.650   1.931
   74    HA   ARG   9           HA       ARG   9   4.595  -5.910   2.263
   75    HB2  ARG   9           HB2      ARG   9   3.344  -5.923  -0.019
   76    HB3  ARG   9           HB3      ARG   9   4.187  -4.426  -0.372
   77    HG2  ARG   9           HG2      ARG   9   5.321  -6.219  -1.452
   78    HG3  ARG   9           HG3      ARG   9   6.375  -5.684  -0.130
   79    HD2  ARG   9           HD2      ARG   9   5.579  -7.599   1.247
   80    HD3  ARG   9           HD3      ARG   9   4.520  -8.116  -0.078
   81    HE   ARG   9           HE       ARG   9   7.423  -8.460   0.158
   82   HH11  ARG   9          HH11      ARG   9   4.807  -8.476  -2.190
   83   HH12  ARG   9          HH12      ARG   9   5.729  -9.411  -3.329
   84   HH21  ARG   9          HH21      ARG   9   8.523  -9.647  -1.346
   85   HH22  ARG   9          HH22      ARG   9   7.768 -10.051  -2.863
   86    H    MET  10           H        MET  10   6.902  -5.138   1.893
   87    HA   MET  10           HA       MET  10   7.300  -2.253   1.982
   88    HB2  MET  10           HB2      MET  10   8.397  -2.173   4.168
   89    HB3  MET  10           HB3      MET  10   6.685  -2.609   4.286
   90    HG2  MET  10           HG2      MET  10   7.326  -5.002   4.563
   91    HG3  MET  10           HG3      MET  10   9.026  -4.544   4.452
   92    HE1  MET  10           HE1      MET  10   6.210  -3.654   8.025
   93    HE2  MET  10           HE2      MET  10   5.947  -2.867   6.457
   94    HE3  MET  10           HE3      MET  10   5.792  -4.634   6.604
   95    H    PHE  11           H        PHE  11   9.217  -1.531   1.503
   96    HA   PHE  11           HA       PHE  11  11.191  -3.282   0.301
   97    HB2  PHE  11           HB2      PHE  11  10.990  -0.286   0.653
   98    HB3  PHE  11           HB3      PHE  11  12.353  -1.078  -0.145
   99    HD1  PHE  11           HD1      PHE  11   9.151   0.389  -0.704
  100    HD2  PHE  11           HD2      PHE  11  11.765  -2.763  -2.089
  101    HE1  PHE  11           HE1      PHE  11   7.966   0.347  -2.877
  102    HE2  PHE  11           HE2      PHE  11  10.570  -2.789  -4.266
  103    HZ   PHE  11           HZ       PHE  11   8.673  -1.227  -4.664
  104    H    ALA  12           H        ALA  12  13.497  -3.222   0.701
  105    HA   ALA  12           HA       ALA  12  14.195  -3.802   3.390
  106    HB1  ALA  12           HB1      ALA  12  15.324  -4.719   1.395
  107    HB2  ALA  12           HB2      ALA  12  15.961  -3.104   1.000
  108    HB3  ALA  12           HB3      ALA  12  16.486  -3.935   2.480
  109    H    ASN  13           H        ASN  13  14.146  -0.715   1.754
  110    HA   ASN  13           HA       ASN  13  15.796   0.681   3.739
  111    HB2  ASN  13           HB2      ASN  13  15.240   2.691   2.427
  112    HB3  ASN  13           HB3      ASN  13  15.877   1.376   1.428
  113   HD21  ASN  13          HD21      ASN  13  14.989   2.410  -0.408
  114    H    GLY  14           H        GLY  14  12.730  -0.555   4.040
  115    HA2  GLY  14           HA2      GLY  14  11.311  -0.288   5.860
  116    HA3  GLY  14           HA3      GLY  14  12.073   1.259   6.271
  117    H    THR  15           H        THR  15  10.996   0.877   2.967
  118    HA   THR  15           HA       THR  15   8.814   2.855   3.400
  119    HB   THR  15           HB       THR  15  10.027   1.767   0.839
  120    HG1  THR  15           HG1      THR  15  11.506   2.924   1.742
  121   HG21  THR  15          HG21      THR  15   8.063   4.042   1.297
  122   HG22  THR  15          HG22      THR  15   8.984   3.783  -0.204
  123   HG23  THR  15          HG23      THR  15   7.821   2.565   0.325
  124    H    VAL  16           H        VAL  16   6.706   2.340   3.367
  125    HA   VAL  16           HA       VAL  16   5.895  -0.474   2.883
  126    HB   VAL  16           HB       VAL  16   4.481   1.885   4.177
  127   HG11  VAL  16          HG11      VAL  16   2.788   0.261   4.955
  128   HG12  VAL  16          HG12      VAL  16   2.743   0.451   3.207
  129   HG13  VAL  16          HG13      VAL  16   3.506  -0.993   3.916
  130   HG21  VAL  16          HG21      VAL  16   4.719   0.560   6.249
  131   HG22  VAL  16          HG22      VAL  16   5.590  -0.699   5.354
  132   HG23  VAL  16          HG23      VAL  16   6.305   0.918   5.548
  133    H    TYR  17           H        TYR  17   4.377  -1.108   1.460
  134    HA   TYR  17           HA       TYR  17   2.827   0.735  -0.204
  135    HB2  TYR  17           HB2      TYR  17   3.655  -0.055  -2.315
  136    HB3  TYR  17           HB3      TYR  17   4.993   0.580  -1.414
  137    HD1  TYR  17           HD1      TYR  17   6.622  -1.072  -0.264
  138    HD2  TYR  17           HD2      TYR  17   3.729  -2.235  -3.248
  139    HE1  TYR  17           HE1      TYR  17   8.004  -3.064  -0.844
  140    HE2  TYR  17           HE2      TYR  17   5.100  -4.230  -3.805
  141    HH   TYR  17           HH       TYR  17   7.095  -5.298  -3.471
  142    H    TYR  18           H        TYR  18   1.721  -0.972  -1.953
  143    HA   TYR  18           HA       TYR  18   0.625  -3.243  -0.343
  144    HB2  TYR  18           HB2      TYR  18  -0.854  -1.397  -2.247
  145    HB3  TYR  18           HB3      TYR  18  -1.535  -2.778  -1.372
  146    HD1  TYR  18           HD1      TYR  18  -2.082  -2.633   1.008
  147    HD2  TYR  18           HD2      TYR  18  -0.217   0.668  -1.049
  148    HE1  TYR  18           HE1      TYR  18  -2.573  -1.134   2.946
  149    HE2  TYR  18           HE2      TYR  18  -0.647   2.141   0.896
  150    HH   TYR  18           HH       TYR  18  -1.530   2.284   3.000
  151    H    PHE  19           H        PHE  19   0.269  -5.145  -1.358
  152    HA   PHE  19           HA       PHE  19   1.114  -5.458  -4.209
  153    HB2  PHE  19           HB2      PHE  19   3.052  -5.836  -2.808
  154    HB3  PHE  19           HB3      PHE  19   2.137  -6.970  -1.795
  155    HD1  PHE  19           HD1      PHE  19   3.287  -6.367  -5.277
  156    HD2  PHE  19           HD2      PHE  19   2.023  -9.323  -2.402
  157    HE1  PHE  19           HE1      PHE  19   3.848  -8.140  -6.877
  158    HE2  PHE  19           HE2      PHE  19   2.669 -11.122  -3.985
  159    HZ   PHE  19           HZ       PHE  19   3.574 -10.550  -6.231
  160    H    ASN  20           H        ASN  20  -0.018  -6.895  -5.397
  161    HA   ASN  20           HA       ASN  20  -2.217  -8.367  -4.047
  162    HB2  ASN  20           HB2      ASN  20  -2.659  -6.785  -5.964
  163    HB3  ASN  20           HB3      ASN  20  -1.825  -7.938  -7.019
  164   HD21  ASN  20          HD21      ASN  20  -4.830  -7.021  -6.121
  165   HD22  ASN  20          HD22      ASN  20  -5.667  -8.563  -6.159
  166    H    HIS  21           H        HIS  21  -1.823 -10.429  -3.491
  167    HA   HIS  21           HA       HIS  21   0.474 -11.864  -4.526
  168    HB2  HIS  21           HB2      HIS  21   0.113 -13.368  -2.854
  169    HB3  HIS  21           HB3      HIS  21  -0.622 -11.924  -2.159
  170    HD2  HIS  21           HD2      HIS  21  -3.190 -12.101  -1.494
  171    HE1  HIS  21           HE1      HIS  21  -3.893 -16.094  -2.807
  172    HE2  HIS  21           HE2      HIS  21  -4.852 -14.141  -1.484
  173    H    ILE  22           H        ILE  22  -2.839 -11.742  -5.563
  174    HA   ILE  22           HA       ILE  22  -2.820 -14.336  -6.949
  175    HB   ILE  22           HB       ILE  22  -4.848 -12.057  -6.938
  176   HG12  ILE  22          HG12      ILE  22  -4.770 -14.627  -5.278
  177   HG13  ILE  22          HG13      ILE  22  -4.474 -12.991  -4.664
  178   HG21  ILE  22          HG21      ILE  22  -5.148 -14.956  -7.824
  179   HG22  ILE  22          HG22      ILE  22  -6.446 -13.740  -7.776
  180   HG23  ILE  22          HG23      ILE  22  -5.111 -13.535  -8.893
  181   HD11  ILE  22          HD11      ILE  22  -6.824 -12.374  -5.338
  182   HD12  ILE  22          HD12      ILE  22  -7.115 -14.110  -5.617
  183   HD13  ILE  22          HD13      ILE  22  -6.652 -13.533  -4.005
  184    H    THR  23           H        THR  23  -2.675 -10.886  -7.742
  185    HA   THR  23           HA       THR  23  -2.342 -11.484 -10.626
  186    HB   THR  23           HB       THR  23  -3.289  -9.439 -11.152
  187    HG1  THR  23           HG1      THR  23  -3.873  -8.166  -9.094
  188   HG21  THR  23          HG21      THR  23  -5.435  -9.358 -10.077
  189   HG22  THR  23          HG22      THR  23  -4.966 -11.063 -10.186
  190   HG23  THR  23          HG23      THR  23  -4.838 -10.201  -8.634
  191    H    ASN  24           H        ASN  24  -0.327 -10.628  -8.127
  192    HA   ASN  24           HA       ASN  24   1.730  -9.852  -7.903
  193    HB2  ASN  24           HB2      ASN  24   2.061 -10.440 -10.862
  194    HB3  ASN  24           HB3      ASN  24   3.371 -10.124  -9.716
  195   HD21  ASN  24          HD21      ASN  24   1.724 -12.611 -11.199
  196   HD22  ASN  24          HD22      ASN  24   2.104 -13.868 -10.017
  197    H    ALA  25           H        ALA  25  -0.488  -7.928  -8.902
  198    HA   ALA  25           HA       ALA  25   0.947  -5.635  -9.928
  199    HB1  ALA  25           HB1      ALA  25  -1.732  -5.848  -8.490
  200    HB2  ALA  25           HB2      ALA  25  -1.147  -4.451  -9.419
  201    HB3  ALA  25           HB3      ALA  25  -1.480  -5.985 -10.245
  202    H    SER  26           H        SER  26   1.439  -3.676  -8.807
  203    HA   SER  26           HA       SER  26   1.618  -3.737  -5.851
  204    HB2  SER  26           HB2      SER  26   3.957  -2.959  -5.902
  205    HB3  SER  26           HB3      SER  26   3.762  -4.607  -6.506
  206    HG   SER  26           HG       SER  26   3.940  -2.292  -8.157
  207    H    GLN  27           H        GLN  27   1.373  -1.711  -4.882
  208    HA   GLN  27           HA       GLN  27   1.650   0.748  -6.462
  209    HB2  GLN  27           HB2      GLN  27  -0.599   1.437  -6.430
  210    HB3  GLN  27           HB3      GLN  27  -0.610  -0.213  -7.062
  211    HG2  GLN  27           HG2      GLN  27  -1.442  -1.075  -4.934
  212    HG3  GLN  27           HG3      GLN  27  -1.305   0.513  -4.197
  213   HE21  GLN  27          HE21      GLN  27  -3.263   1.446  -3.980
  214   HE22  GLN  27          HE22      GLN  27  -4.527   1.436  -5.223
  215    H    PHE  28           H        PHE  28   1.494   2.708  -5.202
  216    HA   PHE  28           HA       PHE  28   2.369   2.261  -2.437
  217    HB2  PHE  28           HB2      PHE  28   2.523   4.640  -4.269
  218    HB3  PHE  28           HB3      PHE  28   2.901   4.734  -2.546
  219    HD1  PHE  28           HD1      PHE  28   4.082   3.564  -5.805
  220    HD2  PHE  28           HD2      PHE  28   4.807   3.459  -1.550
  221    HE1  PHE  28           HE1      PHE  28   6.408   2.795  -6.219
  222    HE2  PHE  28           HE2      PHE  28   7.133   2.697  -1.974
  223    HZ   PHE  28           HZ       PHE  28   7.938   2.373  -4.303
  224    H    GLU  29           H        GLU  29  -0.371   3.942  -3.915
  225    HA   GLU  29           HA       GLU  29  -1.405   4.859  -1.334
  226    HB2  GLU  29           HB2      GLU  29  -3.192   5.770  -2.554
  227    HB3  GLU  29           HB3      GLU  29  -1.735   6.142  -3.443
  228    HG2  GLU  29           HG2      GLU  29  -3.701   3.915  -4.170
  229    HG3  GLU  29           HG3      GLU  29  -3.776   5.550  -4.786
  230    H    ARG  30           H        ARG  30  -3.463   4.133  -0.404
  231    HA   ARG  30           HA       ARG  30  -3.515   1.307  -0.131
  232    HB2  ARG  30           HB2      ARG  30  -4.263   3.088   1.551
  233    HB3  ARG  30           HB3      ARG  30  -5.786   3.137   0.666
  234    HG2  ARG  30           HG2      ARG  30  -5.427   0.390   1.066
  235    HG3  ARG  30           HG3      ARG  30  -4.659   1.079   2.504
  236    HD2  ARG  30           HD2      ARG  30  -6.910   0.661   3.098
  237    HD3  ARG  30           HD3      ARG  30  -6.802   2.414   2.857
  238    HE   ARG  30           HE       ARG  30  -7.630   0.776   0.516
  239   HH11  ARG  30          HH11      ARG  30  -9.494   1.078  -0.403
  240   HH12  ARG  30          HH12      ARG  30 -10.760   2.046   0.339
  241   HH21  ARG  30          HH21      ARG  30 -10.397   2.999   2.316
  242   HH22  ARG  30          HH22      ARG  30  -8.872   2.774   3.135
  243    HA   PRO  31           HA       PRO  31  -5.989   0.223  -3.754
  244    HB2  PRO  31           HB2      PRO  31  -6.319  -2.316  -2.166
  245    HB3  PRO  31           HB3      PRO  31  -5.962  -2.125  -3.911
  246    HG2  PRO  31           HG2      PRO  31  -3.985  -2.718  -2.154
  247    HG3  PRO  31           HG3      PRO  31  -3.704  -1.498  -3.441
  248    HD2  PRO  31           HD2      PRO  31  -4.330  -1.058  -0.519
  249    HD3  PRO  31           HD3      PRO  31  -3.187  -0.204  -1.586
  250    H    SER  32           H        SER  32  -8.161  -0.325  -4.350
  251    HA   SER  32           HA       SER  32 -10.266  -0.449  -2.294
  252    HB2  SER  32           HB2      SER  32  -9.774   1.998  -2.650
  253    HB3  SER  32           HB3      SER  32 -10.233   1.793  -4.351
  254    HG   SER  32           HG       SER  32 -11.985   2.506  -3.072
  255    H    GLY  33           H        GLY  33 -12.332  -1.024  -3.157
  256    HA2  GLY  33           HA2      GLY  33 -12.914  -1.687  -5.876
  257    HA3  GLY  33           HA3      GLY  33 -12.285  -3.124  -5.068
  258    H1'  ALL 101           H1       ALL  34  12.061   1.949  -0.755
  259    H2'  ALL 101           H2       ALL  34  13.953   3.855  -2.248
  260    H3'  ALL 101           H3       ALL  34  12.039   4.449  -3.652
  261    H4'  ALL 101           H4       ALL  34  13.380   2.618  -4.518
  262    H5'  ALL 101           H5       ALL  34  11.616   0.689  -2.950
  263   H6'1  ALL 101          H62       ALL  34  12.713  -0.136  -5.144
  264   H6'2  ALL 101          H61       ALL  34  13.091  -1.052  -3.673
  265   HO'2  ALL 101          H2O       ALL  34  13.051   4.635  -0.210
  266   HO'3  ALL 101          H3O       ALL  34  10.459   3.953  -1.983
  267   HO'4  ALL 101          H4O       ALL  34  10.565   2.345  -4.604
  268   HO'6  ALL 101          H6O       ALL  34  14.956   0.376  -3.460