*HEADER    ISOMERASE                               20-MAR-16   2NC6              
*TITLE     SOLUTION STRUCTURE OF N-L-IDOSYLATED 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                                                             
*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 2NC6    0                                                


#
# 1 LYS QD 1 LYS HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 

      rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0, 
 igr1= 14, 15, 
 &end
#
# 1 LYS QD 1 LYS HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 14, 15, 
 &end
#
# 1 LYS QB 1 LYS HG3 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 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 8, 9, 
 &end
#
# 1 LYS HA 2 LEU H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 6, 26, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1 LYS QE 1 LYS QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 17, 18, 
 igr2= 14, 15, 
 &end
#
# 1 LYS QE 2 LEU QD1 4.2  (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 17, 18, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HA 2 LEU QD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU QD1 18 TYR QE 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 35, 36, 37, 
 igr2= 293, 298, 
 &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 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 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 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 HG 2 LEU QD2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU QD1 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 35, 36, 37, 
 igr2= 291, 300, 
 &end
#
# 2 LEU HB2 2 LEU QD1 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HA 3 PRO HD2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 46, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 2 LEU HA 2 LEU HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 30, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 2 LEU HB3 2 LEU QD1 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HA 2 LEU HG 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 2 LEU HG 2 LEU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 33, 26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HB3 2 LEU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 31, 26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU 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
#
# 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 HG3 6 TRP HD1 4.5  (#3.5 to 4.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 50, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HA 4 PRO HD3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HA 3 PRO HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 53, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HD2 2 LEU HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HG3 3 PRO HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HD3 2 LEU QD1 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 35, 36, 37, 
 &end
#
# 3 PRO HD3 3 PRO HG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HD2 2 LEU HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HD2 6 TRP HD1 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 88, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HD3 3 PRO HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HB3 3 PRO HG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HD2 3 PRO HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 PRO HA 4 PRO HD2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 60, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 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 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 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 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 HB3 6 TRP HD1 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 88, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 3 PRO HG3 6 TRP HE1 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 50, 90, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 3 PRO HD2 31 PRO HG3 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 504, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 3 PRO HD3 31 PRO HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO 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
#
# 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 HB2 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO 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
#
# 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 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 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 HB3 4 PRO HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 67, 66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 PRO HG3 4 PRO HB3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 67, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 PRO HA 4 PRO HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 64, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HB2 4 PRO HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 66, 63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HB3 4 PRO HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 67, 63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HG3 4 PRO HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 4 PRO HD2 4 PRO HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 67, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 PRO HD3 4 PRO HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 PRO HA 4 PRO HG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 63, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 PRO HD3 4 PRO HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 67, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 PRO HD2 3 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO 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 HG3 5 GLY H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 73, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 PRO HD2 4 PRO HG2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 63, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 PRO HD3 3 PRO HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 53, 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
#
# 5 GLY HA3 5 GLY HA2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 75, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 GLY HA2 6 TRP H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 GLY HA2 5 GLY H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 73, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 GLY HA3 5 GLY H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 73, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 GLY HA3 6 TRP H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLY HA2 22 ILE QD1 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 368, 369, 370, 
 &end
#
# 5 GLY HA3 22 ILE QD1 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 368, 369, 370, 
 &end
#
# 6 TRP HB3 6 TRP HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 84, 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 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 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 HE1 6 TRP HD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 90, 88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 TRP HE1 6 TRP HZ2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 90, 93, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HB2 6 TRP HE3 4.5  (#4 to 4.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HZ2 6 TRP HE1 4
 &rst
  ixpk= 0, nxpk= 0, iat= 93, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HA 6 TRP H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 80, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 TRP HB3 6 TRP HD1 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 88, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 TRP H 5 GLY H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 80, 73, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 TRP HB3 2 LEU HB2 4.5  (#4.2 to 4.5)
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HE3 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 6 TRP HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB2 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 20 ASN H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 324, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &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 HE1 20 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 90, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 HZ3 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 97, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HB3 2 LEU QD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 39, 40, 41, 
 &end
#
# 6 TRP HH2 20 ASN H 5  (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= 95, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU 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 HA 8 LYS H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 GLU HA 8 LYS HG3 4.5  (#4.0 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 7 GLU HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 111, 112, 
 &end
#
# 7 GLU HA 7 GLU HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 7 GLU HB2 8 LYS H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 QG 7 GLU H 5.0  (#4.5 TO 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 111, 112, 
 &end
#
# 7 GLU HB2 21 HIS HD2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 7 GLU HA 7 GLU HB3 4.7 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 109, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 7 GLU QG 8 LYS H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 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
#
# 8 LYS HG3 8 LYS HG2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 LYS 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 HD3 8 LYS HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 HB3 8 LYS H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS HB2 8 LYS HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS HB2 8 LYS H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 LYS QE 16 VAL QG2 5.0  (#4.2 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 132, 133, 
 igr2= 256, 257, 258, 
 &end
#
# 8 LYS HG3 8 LYS H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 119, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 8 LYS QE 16 VAL QG1 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 132, 133, 
 igr2= 252, 253, 254, 
 &end
#
# 8 LYS QE 8 LYS HD3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HD2 18 TYR QE 4.2  (#HB2 to HD2)
 &rst
  ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 293, 298, 
 &end
#
# 8 LYS QE 8 LYS HD2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HG2 18 TYR QE 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HA 18 TYR QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 291, 300, 
 &end
#
# 8 LYS HA 8 LYS HG3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 8 LYS HA 8 LYS HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 HB2 8 LYS HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS 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 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 HG2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 126, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 8 LYS QE 18 TYR QE 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 132, 133, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HA 18 TYR QE 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HD3 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HG2 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 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 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 HA 9 ARG H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 141, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 ARG HG2 9 ARG QB 3
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HA 10 MET H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG HA 9 ARG HG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 ARG HG2 10 MET H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 165, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 ARG HA 9 ARG HG3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 149, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 ARG HG3 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG QB 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 145, 146, 
 &end
#
# 9 ARG HD2 9 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD3 9 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG 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 HD3 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG 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 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 H 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 119, 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 QB 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 145, 146, 
 &end
#
# 9 ARG HD2 9 ARG HE 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 154, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 9 ARG HA 9 ARG QB 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HD2 9 ARG HG3 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &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 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
#
# 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 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 HA 10 MET H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 10 MET HA 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 10 MET HA 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET 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 HB2 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HB3 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 10 MET HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 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 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 HA 10 MET HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET 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 HG3 16 VAL QG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 256, 257, 258, 
 &end
#
# 10 MET HA 16 VAL QG1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 252, 253, 254, 
 &end
#
# 11 PHE HA 12 ALA H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 PHE 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 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 192, 196, 
 &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 HB2 11 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HB3 11 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HB2 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HB3 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 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 QD 11 PHE H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 190, 198, 
 &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 QD 15 THR QG2 4.7  (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 190, 198, 
 igr2= 238, 239, 240, 
 &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 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 206, 207, 208, 
 &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 12 ALA H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 12 ALA HA 14 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN HB3 13 NLN HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 216, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 NLN HA 13 NLN HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 216, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 NLN HB2 13 NLN HD21 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 NLN HA 13 NLN HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 217, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 NLN HB3 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN 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 H 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HA 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLY HA2 14 GLY H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLY HA3 14 GLY HA2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 GLY HA3 14 GLY H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 GLY HA2 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLY HA3 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 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 QG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 238, 239, 240, 
 &end
#
# 15 THR HB 11 PHE QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 190, 198, 
 &end
#
# 15 THR QG2 16 VAL H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR H 14 GLY H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 THR QG2 28 PHE QE 4.2  (#4 to 4.2)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 238, 239, 240, 
 igr2= 450, 454, 
 &end
#
# 15 THR QG2 28 PHE HZ 5.0  (#4.2 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR HA 15 THR H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 THR QG2 28 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 238, 239, 240, 
 igr2= 448, 456, 
 &end
#
# 15 THR HB 11 PHE HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR QG2 15 THR H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 238, 239, 240, 
 &end
#
# 16 VAL QG2 16 VAL QG1 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 256, 257, 258, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL HA 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 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 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 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 QG1 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= 252, 253, 254, 
 &end
#
# 16 VAL HA 16 VAL QG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 256, 257, 258, 
 &end
#
# 16 VAL HA 16 VAL 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 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 246, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 VAL QG1 16 VAL H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 252, 253, 254, 
 &end
#
# 16 VAL QG2 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 256, 257, 258, 
 &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 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 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 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 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 252, 253, 254, 
 &end
#
# 17 TYR QE 17 TYR QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 272, 277, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB2 17 TYR QD 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 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 4
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HB3 17 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HA 17 TYR HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HA 17 TYR HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR QD 17 TYR H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 270, 279, 
 &end
#
# 17 TYR QE 19 PHE HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 272, 277, 
 &end
#
# 17 TYR QE 19 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 272, 277, 
 igr2= 312, 320, 
 &end
#
# 17 TYR HB3 18 TYR H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 TYR QD 18 TYR H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HA 18 TYR QD 4.7  (#4.2 to 4.7)
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 291, 300, 
 &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 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 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 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 HA 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 17 TYR QD 27 GLN H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 270, 279, 
 &end
#
# 17 TYR QE 17 TYR HB2 5.0  (#4.7 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR QE 9 ARG HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR QE 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
#
# 18 TYR HB3 18 TYR HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 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 HB3 6 TRP HE3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 TYR HB2 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
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 291, 300, 
 &end
#
# 18 TYR HB2 18 TYR H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 TYR HA 18 TYR QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HA 18 TYR HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 18 TYR HA 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 18 TYR HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HA 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HB2 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HB2 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR H 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE QD 19 PHE QE 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 312, 320, 
 igr2= 314, 318, 
 &end
#
# 19 PHE 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 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 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 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 4
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 312, 320, 
 &end
#
# 19 PHE HA 19 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 312, 320, 
 &end
#
# 19 PHE HB2 19 PHE H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 304, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 PHE HA 19 PHE HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 PHE HA 26 SER HA 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 PHE HB3 19 PHE H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 H 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HB3 17 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 272, 277, 
 &end
#
# 19 PHE HB2 17 TYR QE 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 272, 277, 
 &end
#
# 19 PHE HA 19 PHE H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 PHE HA 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &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 HB3 19 PHE QD 4  (#added)
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 312, 320, 
 &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 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 HB3 20 ASN H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 ASN HD22 20 ASN HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 ASN HB2 20 ASN H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 324, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 ASN HB3 25 ALA H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 402, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 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 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 HB3 24 ASN H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 388, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 ASN HB2 20 ASN HD21 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 ASN HB2 6 TRP HE3 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 99, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 ASN HD22 6 TRP HZ2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 93, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &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
#
# 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 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 HA 21 HIS HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 HIS H 22 ILE H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 HIS HB2 19 PHE QE 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HA 21 HIS H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 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 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 HD2 21 HIS H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 338, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 HIS HB3 21 HIS HD2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 HIS HB3 19 PHE QE 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HB2 21 HIS HD2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &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 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
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 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 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 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 HG13 22 ILE H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 22 ILE HB 23 THR QG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 380, 381, 382, 
 &end
#
# 22 ILE HB 22 ILE HG13 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 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 HG12 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE QG2 22 ILE H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 361, 362, 363, 
 &end
#
# 22 ILE HA 22 ILE HG13 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 ILE HA 22 ILE HB 5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE 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
#
# 22 ILE HB 20 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE HG13 21 HIS HD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE HG12 21 HIS HD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 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 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 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 HG1 25 ALA QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 406, 407, 408, 
 &end
#
# 23 THR HA 23 THR H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 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 HA 22 ILE QG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 361, 362, 363, 
 &end
#
# 23 THR HB 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR QG2 20 ASN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 380, 381, 382, 
 &end
#
# 23 THR HG1 22 ILE HB 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 359, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 23 THR HB 25 ALA QB 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 406, 407, 408, 
 &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 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
#
# 24 ASN HD22 24 ASN HD21 3
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASN HB3 24 ASN HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 392, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASN HA 24 ASN H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASN HA 19 PHE HZ 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 316, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 24 ASN HA 24 ASN HB2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 24 ASN HB2 24 ASN HD21 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 24 ASN HA 24 ASN HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN 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 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
#
# 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 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 QB 26 SER H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA H 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 6 TRP HH2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 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 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 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HZ2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA H 20 ASN H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 324, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &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 HB3 26 SER HA 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 SER HB3 17 TYR QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 270, 279, 
 &end
#
# 26 SER HB2 26 SER H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 412, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 26 SER HA 6 TRP HZ3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB2 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER 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 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 26 SER 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 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 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 H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 412, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 26 SER HB2 19 PHE QD 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 312, 320, 
 &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
#
# 27 GLN QG 27 GLN QB 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 430, 431, 
 igr2= 427, 428, 
 &end
#
# 27 GLN HE21 27 GLN HE22 3
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 GLN HA 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
 &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 HA 27 GLN QG 4
 &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 QB 27 GLN H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 427, 428, 
 &end
#
# 27 GLN HA 27 GLN QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 427, 428, 
 &end
#
# 27 GLN QB 6 TRP HH2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 27 GLN H 4.7  (#4.2 to 4.7)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QB 6 TRP HZ3 4.5  (#4.2 to 4.5)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 27 GLN HE21 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 430, 431, 
 &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 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 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 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 HE21 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLN QG 6 TRP HZ3 4.7  (#5 to 4.7)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr1= 430, 431, 
 &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
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB2 28 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB3 28 PHE QD 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HA 28 PHE HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 445, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 PHE HB2 29 GLU H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 QD 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 448, 456, 
 &end
#
# 28 PHE HA 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 HA 18 TYR H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 283, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 PHE HA 18 TYR QD 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 291, 300, 
 &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 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
#
# 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 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 HA 29 GLU HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &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 HB2 29 GLU H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 GLU HA 29 GLU H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 GLU HG2 29 GLU H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 29 GLU HA 29 GLU HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB2 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB3 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HG2 30 ARG H 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 475, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 GLU HB3 28 PHE QE 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 450, 454, 
 &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
#
# 30 ARG HA 31 PRO HD2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &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 HA 31 PRO HD3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 501, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG QB 30 ARG HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 479, 480, 
 &end
#
# 30 ARG QD 30 ARG QB 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr1= 485, 486, 
 igr2= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 30 ARG QB 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 479, 480, 
 igr2= 293, 298, 
 &end
#
# 30 ARG 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 HA 30 ARG HG2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 482, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 ARG HA 30 ARG HG3 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 483, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 ARG HG3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB3 31 PRO HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 506, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PRO HD3 31 PRO HD2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 PRO 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 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 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 HD2 31 PRO HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HB2 31 PRO HG3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 PRO HD2 30 ARG HE 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 488, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 PRO HA 31 PRO HB3 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 PRO HA 27 GLN HE21 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 PRO HD3 31 PRO HG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 503, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 PRO HA 30 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 31 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 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 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 HD2 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HB3 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD3 30 ARG HE 5.0  (#4.2 to 5.0)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD2 31 PRO HG2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 503, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 PRO HD2 30 ARG HG2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 482, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 31 PRO HB2 31 PRO HG2 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 503, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &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 HD3 31 PRO HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 507, 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 HD3 31 PRO HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO 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 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HD3 31 PRO HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 SER HB3 32 SER HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 517, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &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 HB3 32 SER H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 513, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 SER HB2 32 SER H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 513, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &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 HA 32 SER HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLY HA2 33 GLY H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 GLY HA3 33 GLY H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 33 GLY H 32 SER H 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 513, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 0IB H5 34 0IB H4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0IB H3 34 0IB H4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0IB H1 34 0IB H2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0IB H3 34 0IB H2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 538, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 0IB H1 34 0IB H5 4
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 0IB H5 15 THR QG2 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0IB H1 13 NLN HD21 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 221, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 34 0IB H2 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0IB 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
#
#  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 lidose_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 -17.772   6.032 -22.497
    2    H2   LYS   1           H2       LYS   1 -17.492   4.455 -22.174
    3    H3   LYS   1           H3       LYS   1 -16.982   5.109 -23.587
    4    HA   LYS   1           HA       LYS   1 -15.451   6.557 -22.478
    5    HB2  LYS   1           HB2      LYS   1 -16.696   6.845 -20.397
    6    HB3  LYS   1           HB3      LYS   1 -16.399   5.173 -19.940
    7    HG2  LYS   1           HG2      LYS   1 -14.924   6.642 -18.712
    8    HG3  LYS   1           HG3      LYS   1 -13.962   5.635 -19.788
    9    HD2  LYS   1           HD2      LYS   1 -13.763   7.545 -21.391
   10    HD3  LYS   1           HD3      LYS   1 -14.729   8.547 -20.280
   11    HE2  LYS   1           HE2      LYS   1 -13.027   8.158 -18.495
   12    HE3  LYS   1           HE3      LYS   1 -12.072   7.187 -19.625
   13    HZ1  LYS   1           HZ1      LYS   1 -12.723  10.071 -19.965
   14    HZ2  LYS   1           HZ2      LYS   1 -11.270   9.481 -19.520
   15    HZ3  LYS   1           HZ3      LYS   1 -11.842   9.186 -21.020
   16    H    LEU   2           H        LEU   2 -15.514   3.322 -20.846
   17    HA   LEU   2           HA       LEU   2 -12.820   2.771 -21.815
   18    HB2  LEU   2           HB2      LEU   2 -14.834   1.062 -20.284
   19    HB3  LEU   2           HB3      LEU   2 -13.216   0.572 -20.677
   20    HG   LEU   2           HG       LEU   2 -12.949   1.109 -18.526
   21   HD11  LEU   2          HD11      LEU   2 -12.321   3.811 -19.771
   22   HD12  LEU   2          HD12      LEU   2 -11.624   3.110 -18.304
   23   HD13  LEU   2          HD13      LEU   2 -11.292   2.358 -19.874
   24   HD21  LEU   2          HD21      LEU   2 -15.175   2.019 -18.131
   25   HD22  LEU   2          HD22      LEU   2 -13.908   2.936 -17.301
   26   HD23  LEU   2          HD23      LEU   2 -14.654   3.598 -18.766
   27    HA   PRO   3           HA       PRO   3 -13.820   0.249 -25.405
   28    HB2  PRO   3           HB2      PRO   3 -11.893  -1.728 -25.284
   29    HB3  PRO   3           HB3      PRO   3 -11.563  -0.037 -25.771
   30    HG2  PRO   3           HG2      PRO   3 -11.220  -1.287 -23.029
   31    HG3  PRO   3           HG3      PRO   3 -10.039  -0.310 -23.946
   32    HD2  PRO   3           HD2      PRO   3 -11.587   0.778 -22.035
   33    HD3  PRO   3           HD3      PRO   3 -11.244   1.686 -23.534
   34    HA   PRO   4           HA       PRO   4 -16.651  -2.798 -24.458
   35    HB2  PRO   4           HB2      PRO   4 -15.164  -4.883 -26.076
   36    HB3  PRO   4           HB3      PRO   4 -16.921  -4.512 -26.057
   37    HG2  PRO   4           HG2      PRO   4 -15.385  -3.471 -28.009
   38    HG3  PRO   4           HG3      PRO   4 -16.553  -2.405 -27.154
   39    HD2  PRO   4           HD2      PRO   4 -13.570  -2.676 -26.702
   40    HD3  PRO   4           HD3      PRO   4 -14.568  -1.193 -26.821
   41    H    GLY   5           H        GLY   5 -17.179  -3.892 -22.727
   42    HA2  GLY   5           HA2      GLY   5 -17.217  -5.436 -21.023
   43    HA3  GLY   5           HA3      GLY   5 -15.751  -6.188 -21.671
   44    H    TRP   6           H        TRP   6 -14.771  -3.052 -21.269
   45    HA   TRP   6           HA       TRP   6 -13.540  -3.632 -18.643
   46    HB2  TRP   6           HB2      TRP   6 -13.049  -1.572 -20.784
   47    HB3  TRP   6           HB3      TRP   6 -12.272  -1.503 -19.202
   48    HD1  TRP   6           HD1      TRP   6 -12.237  -3.356 -22.509
   49    HE1  TRP   6           HE1      TRP   6 -10.121  -4.805 -22.691
   50    HE3  TRP   6           HE3      TRP   6 -10.543  -2.910 -17.701
   51    HZ2  TRP   6           HZ2      TRP   6  -7.980  -5.676 -20.961
   52    HZ3  TRP   6           HZ3      TRP   6  -8.443  -4.036 -17.005
   53    HH2  TRP   6           HH2      TRP   6  -7.166  -5.437 -18.610
   54    H    GLU   7           H        GLU   7 -13.706  -2.445 -16.816
   55    HA   GLU   7           HA       GLU   7 -15.250   0.067 -16.714
   56    HB2  GLU   7           HB2      GLU   7 -16.872  -1.830 -16.452
   57    HB3  GLU   7           HB3      GLU   7 -15.983  -2.362 -15.022
   58    HG2  GLU   7           HG2      GLU   7 -16.593  -0.336 -13.828
   59    HG3  GLU   7           HG3      GLU   7 -17.181   0.425 -15.310
   60    H    LYS   8           H        LYS   8 -14.869   1.285 -14.732
   61    HA   LYS   8           HA       LYS   8 -12.213   0.956 -13.599
   62    HB2  LYS   8           HB2      LYS   8 -14.484   2.914 -13.138
   63    HB3  LYS   8           HB3      LYS   8 -13.057   2.882 -12.089
   64    HG2  LYS   8           HG2      LYS   8 -11.559   3.238 -13.964
   65    HG3  LYS   8           HG3      LYS   8 -12.910   3.141 -15.112
   66    HD2  LYS   8           HD2      LYS   8 -12.326   5.455 -14.828
   67    HD3  LYS   8           HD3      LYS   8 -13.900   5.193 -14.059
   68    HE2  LYS   8           HE2      LYS   8 -12.778   5.045 -11.838
   69    HE3  LYS   8           HE3      LYS   8 -11.205   5.267 -12.618
   70    HZ1  LYS   8           HZ1      LYS   8 -12.061   7.355 -11.720
   71    HZ2  LYS   8           HZ2      LYS   8 -11.950   7.466 -13.344
   72    HZ3  LYS   8           HZ3      LYS   8 -13.409   7.260 -12.634
   73    H    ARG   9           H        ARG   9 -11.610   0.518 -11.658
   74    HA   ARG   9           HA       ARG   9 -13.335  -0.695  -9.537
   75    HB2  ARG   9           HB2      ARG   9 -11.377  -2.066 -11.330
   76    HB3  ARG   9           HB3      ARG   9 -11.007  -2.260  -9.638
   77    HG2  ARG   9           HG2      ARG   9 -12.333  -4.115 -10.523
   78    HG3  ARG   9           HG3      ARG   9 -13.136  -3.296  -9.161
   79    HD2  ARG   9           HD2      ARG   9 -14.641  -2.152 -10.592
   80    HD3  ARG   9           HD3      ARG   9 -13.732  -2.605 -12.059
   81    HE   ARG   9           HE       ARG   9 -14.601  -5.009 -10.887
   82   HH11  ARG   9          HH11      ARG   9 -16.073  -2.122 -12.163
   83   HH12  ARG   9          HH12      ARG   9 -17.449  -2.960 -12.846
   84   HH21  ARG   9          HH21      ARG   9 -16.454  -6.055 -11.659
   85   HH22  ARG   9          HH22      ARG   9 -17.686  -5.126 -12.477
   86    H    MET  10           H        MET  10 -11.956  -1.160  -7.544
   87    HA   MET  10           HA       MET  10  -9.606   0.549  -7.193
   88    HB2  MET  10           HB2      MET  10 -11.644   2.075  -6.934
   89    HB3  MET  10           HB3      MET  10 -12.075   1.112  -5.508
   90    HG2  MET  10           HG2      MET  10  -9.782   1.721  -4.560
   91    HG3  MET  10           HG3      MET  10  -9.564   2.763  -5.962
   92    HE1  MET  10           HE1      MET  10 -12.659   2.089  -3.478
   93    HE2  MET  10           HE2      MET  10 -11.176   2.216  -2.504
   94    HE3  MET  10           HE3      MET  10 -12.424   3.477  -2.399
   95    H    PHE  11           H        PHE  11  -8.305  -0.095  -5.570
   96    HA   PHE  11           HA       PHE  11  -8.846  -2.560  -4.072
   97    HB2  PHE  11           HB2      PHE  11  -6.522  -0.597  -4.105
   98    HB3  PHE  11           HB3      PHE  11  -6.557  -2.055  -3.130
   99    HD1  PHE  11           HD1      PHE  11  -5.838  -0.702  -6.423
  100    HD2  PHE  11           HD2      PHE  11  -6.688  -4.329  -4.249
  101    HE1  PHE  11           HE1      PHE  11  -4.854  -2.035  -8.267
  102    HE2  PHE  11           HE2      PHE  11  -5.694  -5.660  -6.095
  103    HZ   PHE  11           HZ       PHE  11  -4.776  -4.517  -8.105
  104    H    ALA  12           H        ALA  12  -8.734  -2.718  -1.748
  105    HA   ALA  12           HA       ALA  12 -10.363  -0.885  -0.332
  106    HB1  ALA  12           HB1      ALA  12 -10.127  -3.286   0.189
  107    HB2  ALA  12           HB2      ALA  12  -8.445  -3.018   0.709
  108    HB3  ALA  12           HB3      ALA  12  -9.787  -2.288   1.614
  109    H    ASN  13           H        ASN  13  -6.958  -0.681  -0.922
  110    HA   ASN  13           HA       ASN  13  -6.391   1.186   1.273
  111    HB2  ASN  13           HB2      ASN  13  -4.135   1.227   0.355
  112    HB3  ASN  13           HB3      ASN  13  -4.714  -0.435   0.540
  113   HD21  ASN  13          HD21      ASN  13  -3.053  -1.079  -0.941
  114    H    GLY  14           H        GLY  14  -8.090   1.619  -1.572
  115    HA2  GLY  14           HA2      GLY  14  -8.979   3.642  -2.316
  116    HA3  GLY  14           HA3      GLY  14  -7.688   4.549  -1.514
  117    H    THR  15           H        THR  15  -6.528   1.947  -3.503
  118    HA   THR  15           HA       THR  15  -5.574   3.890  -5.547
  119    HB   THR  15           HB       THR  15  -4.835   0.969  -5.169
  120    HG1  THR  15           HG1      THR  15  -4.158   2.039  -3.451
  121   HG21  THR  15          HG21      THR  15  -3.513   3.188  -6.794
  122   HG22  THR  15          HG22      THR  15  -2.820   1.579  -6.487
  123   HG23  THR  15          HG23      THR  15  -4.299   1.728  -7.441
  124    H    VAL  16           H        VAL  16  -6.300   3.955  -7.621
  125    HA   VAL  16           HA       VAL  16  -8.669   2.316  -8.286
  126    HB   VAL  16           HB       VAL  16  -7.521   4.887  -9.401
  127   HG11  VAL  16          HG11      VAL  16 -10.040   3.438 -10.311
  128   HG12  VAL  16          HG12      VAL  16  -9.582   5.099 -10.743
  129   HG13  VAL  16          HG13      VAL  16  -8.585   3.753 -11.289
  130   HG21  VAL  16          HG21      VAL  16  -9.590   5.868  -8.482
  131   HG22  VAL  16          HG22      VAL  16 -10.108   4.271  -7.900
  132   HG23  VAL  16          HG23      VAL  16  -8.676   5.060  -7.205
  133    H    TYR  17           H        TYR  17  -8.927   1.095 -10.092
  134    HA   TYR  17           HA       TYR  17  -6.789   0.809 -12.078
  135    HB2  TYR  17           HB2      TYR  17  -6.412  -1.510 -11.788
  136    HB3  TYR  17           HB3      TYR  17  -6.120  -0.735 -10.263
  137    HD1  TYR  17           HD1      TYR  17  -7.709  -1.075  -8.345
  138    HD2  TYR  17           HD2      TYR  17  -8.073  -3.249 -12.056
  139    HE1  TYR  17           HE1      TYR  17  -8.947  -2.888  -7.170
  140    HE2  TYR  17           HE2      TYR  17  -9.400  -5.004 -10.899
  141    HH   TYR  17           HH       TYR  17  -9.973  -4.914  -7.371
  142    H    TYR  18           H        TYR  18  -7.558  -1.104 -13.640
  143    HA   TYR  18           HA       TYR  18 -10.455  -0.724 -14.278
  144    HB2  TYR  18           HB2      TYR  18  -8.140  -1.022 -16.221
  145    HB3  TYR  18           HB3      TYR  18  -9.848  -0.784 -16.626
  146    HD1  TYR  18           HD1      TYR  18 -10.932   1.415 -16.321
  147    HD2  TYR  18           HD2      TYR  18  -6.750   0.831 -15.440
  148    HE1  TYR  18           HE1      TYR  18 -10.597   3.886 -16.231
  149    HE2  TYR  18           HE2      TYR  18  -6.422   3.297 -15.337
  150    HH   TYR  18           HH       TYR  18  -7.430   5.342 -15.449
  151    H    PHE  19           H        PHE  19 -11.602  -2.517 -14.838
  152    HA   PHE  19           HA       PHE  19 -10.226  -5.161 -14.996
  153    HB2  PHE  19           HB2      PHE  19 -10.834  -4.985 -12.720
  154    HB3  PHE  19           HB3      PHE  19 -12.408  -4.289 -13.094
  155    HD1  PHE  19           HD1      PHE  19 -10.429  -7.422 -12.999
  156    HD2  PHE  19           HD2      PHE  19 -14.310  -5.690 -13.742
  157    HE1  PHE  19           HE1      PHE  19 -11.462  -9.676 -12.871
  158    HE2  PHE  19           HE2      PHE  19 -15.342  -7.939 -13.575
  159    HZ   PHE  19           HZ       PHE  19 -13.921  -9.938 -13.157
  160    H    ASN  20           H        ASN  20 -11.111  -6.627 -16.331
  161    HA   ASN  20           HA       ASN  20 -13.341  -5.721 -18.071
  162    HB2  ASN  20           HB2      ASN  20 -11.119  -6.176 -19.097
  163    HB3  ASN  20           HB3      ASN  20 -11.238  -7.853 -18.548
  164   HD21  ASN  20          HD21      ASN  20 -13.221  -6.713 -21.891
  165   HD22  ASN  20          HD22      ASN  20 -12.209  -5.580 -21.000
  166    H    HIS  21           H        HIS  21 -15.307  -6.534 -17.584
  167    HA   HIS  21           HA       HIS  21 -15.514  -8.794 -15.755
  168    HB2  HIS  21           HB2      HIS  21 -17.675  -8.172 -15.402
  169    HB3  HIS  21           HB3      HIS  21 -16.942  -6.627 -15.835
  170    HD2  HIS  21           HD2      HIS  21 -17.694  -5.557 -18.244
  171    HE1  HIS  21           HE1      HIS  21 -20.935  -8.226 -18.977
  172    HE2  HIS  21           HE2      HIS  21 -19.832  -6.047 -19.699
  173    H    ILE  22           H        ILE  22 -15.470  -8.620 -19.153
  174    HA   ILE  22           HA       ILE  22 -17.026 -11.051 -19.670
  175    HB   ILE  22           HB       ILE  22 -15.204  -9.386 -21.445
  176   HG12  ILE  22          HG12      ILE  22 -17.127  -8.073 -20.644
  177   HG13  ILE  22          HG13      ILE  22 -17.164  -8.355 -22.380
  178   HG21  ILE  22          HG21      ILE  22 -15.361 -11.571 -22.425
  179   HG22  ILE  22          HG22      ILE  22 -17.118 -11.626 -22.181
  180   HG23  ILE  22          HG23      ILE  22 -16.405 -10.485 -23.345
  181   HD11  ILE  22          HD11      ILE  22 -18.908 -10.089 -22.086
  182   HD12  ILE  22          HD12      ILE  22 -18.849  -9.849 -20.321
  183   HD13  ILE  22          HD13      ILE  22 -19.393  -8.539 -21.385
  184    H    THR  23           H        THR  23 -13.608 -10.187 -19.387
  185    HA   THR  23           HA       THR  23 -12.791 -13.039 -19.830
  186    HB   THR  23           HB       THR  23 -10.658 -12.167 -20.598
  187    HG1  THR  23           HG1      THR  23 -11.820  -9.609 -20.347
  188   HG21  THR  23          HG21      THR  23 -11.319 -11.111 -22.670
  189   HG22  THR  23          HG22      THR  23 -12.494 -12.377 -22.270
  190   HG23  THR  23          HG23      THR  23 -12.906 -10.666 -22.011
  191    H    ASN  24           H        ASN  24 -12.994 -10.812 -17.309
  192    HA   ASN  24           HA       ASN  24 -12.165 -10.564 -15.287
  193    HB2  ASN  24           HB2      ASN  24 -11.079 -13.386 -15.439
  194    HB3  ASN  24           HB3      ASN  24 -11.395 -12.437 -13.979
  195   HD21  ASN  24          HD21      ASN  24 -12.697 -14.808 -15.966
  196   HD22  ASN  24          HD22      ASN  24 -14.380 -14.622 -15.462
  197    H    ALA  25           H        ALA  25 -10.375 -10.002 -17.709
  198    HA   ALA  25           HA       ALA  25  -7.675  -9.968 -16.626
  199    HB1  ALA  25           HB1      ALA  25  -8.153 -10.016 -19.053
  200    HB2  ALA  25           HB2      ALA  25  -8.918  -8.415 -18.935
  201    HB3  ALA  25           HB3      ALA  25  -7.185  -8.600 -18.602
  202    H    SER  26           H        SER  26  -6.460  -7.964 -16.158
  203    HA   SER  26           HA       SER  26  -7.982  -5.576 -15.438
  204    HB2  SER  26           HB2      SER  26  -7.131  -5.427 -13.140
  205    HB3  SER  26           HB3      SER  26  -8.235  -6.780 -13.362
  206    HG   SER  26           HG       SER  26  -6.477  -8.176 -13.417
  207    H    GLN  27           H        GLN  27  -6.794  -3.717 -15.137
  208    HA   GLN  27           HA       GLN  27  -3.843  -3.752 -15.444
  209    HB2  GLN  27           HB2      GLN  27  -5.784  -2.248 -17.260
  210    HB3  GLN  27           HB3      GLN  27  -4.114  -1.728 -16.979
  211    HG2  GLN  27           HG2      GLN  27  -3.255  -3.837 -17.812
  212    HG3  GLN  27           HG3      GLN  27  -4.905  -4.386 -18.188
  213   HE21  GLN  27          HE21      GLN  27  -4.593  -0.972 -18.850
  214   HE22  GLN  27          HE22      GLN  27  -4.189  -1.170 -20.559
  215    H    PHE  28           H        PHE  28  -2.828  -2.052 -14.376
  216    HA   PHE  28           HA       PHE  28  -4.394  -0.326 -12.604
  217    HB2  PHE  28           HB2      PHE  28  -2.288  -1.114 -11.826
  218    HB3  PHE  28           HB3      PHE  28  -1.465  -0.640 -13.320
  219    HD1  PHE  28           HD1      PHE  28  -3.154   0.737 -10.270
  220    HD2  PHE  28           HD2      PHE  28  -0.584   1.522 -13.638
  221    HE1  PHE  28           HE1      PHE  28  -2.576   2.961  -9.309
  222    HE2  PHE  28           HE2      PHE  28  -0.028   3.756 -12.701
  223    HZ   PHE  28           HZ       PHE  28  -1.014   4.471 -10.518
  224    H    GLU  29           H        GLU  29  -3.038  -0.104 -15.839
  225    HA   GLU  29           HA       GLU  29  -3.656   2.812 -16.002
  226    HB2  GLU  29           HB2      GLU  29  -2.115   2.955 -17.812
  227    HB3  GLU  29           HB3      GLU  29  -1.329   2.199 -16.422
  228    HG2  GLU  29           HG2      GLU  29  -1.765  -0.061 -17.515
  229    HG3  GLU  29           HG3      GLU  29  -2.347   0.802 -18.941
  230    H    ARG  30           H        ARG  30  -4.615   3.645 -17.930
  231    HA   ARG  30           HA       ARG  30  -7.130   2.556 -18.295
  232    HB2  ARG  30           HB2      ARG  30  -6.042   4.944 -18.690
  233    HB3  ARG  30           HB3      ARG  30  -6.022   4.450 -20.372
  234    HG2  ARG  30           HG2      ARG  30  -8.448   4.609 -18.527
  235    HG3  ARG  30           HG3      ARG  30  -7.965   5.834 -19.701
  236    HD2  ARG  30           HD2      ARG  30  -9.014   3.047 -20.302
  237    HD3  ARG  30           HD3      ARG  30  -9.871   4.557 -20.509
  238    HE   ARG  30           HE       ARG  30  -8.080   3.295 -22.345
  239   HH11  ARG  30          HH11      ARG  30  -9.123   6.517 -21.406
  240   HH12  ARG  30          HH12      ARG  30  -8.840   7.165 -23.002
  241   HH21  ARG  30          HH21      ARG  30  -8.062   5.916 -24.592
  242   HH22  ARG  30          HH22      ARG  30  -7.699   4.232 -24.360
  243    HA   PRO  31           HA       PRO  31  -6.253  -0.653 -21.356
  244    HB2  PRO  31           HB2      PRO  31  -8.828  -1.485 -21.890
  245    HB3  PRO  31           HB3      PRO  31  -7.907  -1.926 -20.416
  246    HG2  PRO  31           HG2      PRO  31  -9.881   0.362 -20.747
  247    HG3  PRO  31           HG3      PRO  31  -9.863  -0.890 -19.465
  248    HD2  PRO  31           HD2      PRO  31  -8.786   1.485 -18.983
  249    HD3  PRO  31           HD3      PRO  31  -7.879   0.025 -18.500
  250    H    SER  32           H        SER  32  -6.147  -0.799 -23.577
  251    HA   SER  32           HA       SER  32  -5.794   0.148 -25.612
  252    HB2  SER  32           HB2      SER  32  -8.729   0.899 -25.442
  253    HB3  SER  32           HB3      SER  32  -7.733   0.850 -26.914
  254    HG   SER  32           HG       SER  32  -8.317  -1.334 -25.190
  255    H    GLY  33           H        GLY  33  -4.701   1.679 -23.760
  256    HA2  GLY  33           HA2      GLY  33  -5.365   4.471 -23.703
  257    HA3  GLY  33           HA3      GLY  33  -3.813   3.752 -23.288
  258    H1   4N2 101           H1       4N2  34  -3.444  -0.261  -3.761
  259    H2   4N2 101           H2       4N2  34  -3.953  -2.664  -3.755
  260    H3   4N2 101           H3       4N2  34  -1.966  -3.539  -5.062
  261    H4   4N2 101           H4       4N2  34  -0.080  -1.917  -5.498
  262    H5   4N2 101           H5       4N2  34  -1.173   0.158  -4.812
  263    H62  4N2 101           H62      4N2  34   1.263   0.210  -4.673
  264    H61  4N2 101           H61      4N2  34   0.530   1.253  -3.457
  265    HO2  4N2 101           H2O      4N2  34  -3.137  -3.477  -1.847
  266    HO3  4N2 101           H3O      4N2  34  -3.450  -2.269  -6.197
  267    HO4  4N2 101           H4O      4N2  34  -0.536  -3.090  -2.947
  268    HO6  4N2 101           H6O      4N2  34   1.274  -1.429  -2.857
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -17.004   6.058 -23.505
    2    H2   LYS   1           H2       LYS   1 -16.796   4.526 -22.979
    3    H3   LYS   1           H3       LYS   1 -16.162   4.997 -24.414
    4    HA   LYS   1           HA       LYS   1 -14.680   6.541 -23.363
    5    HB2  LYS   1           HB2      LYS   1 -16.140   7.020 -21.424
    6    HB3  LYS   1           HB3      LYS   1 -15.729   5.451 -20.722
    7    HG2  LYS   1           HG2      LYS   1 -13.338   6.135 -20.590
    8    HG3  LYS   1           HG3      LYS   1 -13.717   7.642 -21.432
    9    HD2  LYS   1           HD2      LYS   1 -13.489   8.124 -19.093
   10    HD3  LYS   1           HD3      LYS   1 -15.192   8.315 -19.534
   11    HE2  LYS   1           HE2      LYS   1 -15.646   6.018 -18.616
   12    HE3  LYS   1           HE3      LYS   1 -13.942   5.891 -18.151
   13    HZ1  LYS   1           HZ1      LYS   1 -14.282   7.823 -16.695
   14    HZ2  LYS   1           HZ2      LYS   1 -15.850   7.935 -17.137
   15    HZ3  LYS   1           HZ3      LYS   1 -15.336   6.636 -16.297
   16    H    LEU   2           H        LEU   2 -15.025   3.450 -21.490
   17    HA   LEU   2           HA       LEU   2 -12.341   2.625 -22.394
   18    HB2  LEU   2           HB2      LEU   2 -14.340   1.206 -20.587
   19    HB3  LEU   2           HB3      LEU   2 -12.730   0.668 -20.971
   20    HG   LEU   2           HG       LEU   2 -12.362   1.466 -18.924
   21   HD11  LEU   2          HD11      LEU   2 -10.845   2.672 -20.532
   22   HD12  LEU   2          HD12      LEU   2 -11.920   4.081 -20.399
   23   HD13  LEU   2          HD13      LEU   2 -11.073   3.471 -18.967
   24   HD21  LEU   2          HD21      LEU   2 -13.330   3.419 -17.871
   25   HD22  LEU   2          HD22      LEU   2 -14.191   3.842 -19.368
   26   HD23  LEU   2          HD23      LEU   2 -14.591   2.343 -18.494
   27    HA   PRO   3           HA       PRO   3 -13.889  -0.027 -25.656
   28    HB2  PRO   3           HB2      PRO   3 -12.048  -2.084 -25.686
   29    HB3  PRO   3           HB3      PRO   3 -11.733  -0.433 -26.302
   30    HG2  PRO   3           HG2      PRO   3 -10.976  -1.615 -23.633
   31    HG3  PRO   3           HG3      PRO   3  -9.981  -0.614 -24.726
   32    HD2  PRO   3           HD2      PRO   3 -11.315   0.368 -22.544
   33    HD3  PRO   3           HD3      PRO   3 -11.014   1.361 -23.993
   34    HA   PRO   4           HA       PRO   4 -16.721  -2.858 -24.246
   35    HB2  PRO   4           HB2      PRO   4 -15.559  -5.118 -25.891
   36    HB3  PRO   4           HB3      PRO   4 -17.275  -4.615 -25.717
   37    HG2  PRO   4           HG2      PRO   4 -15.875  -3.803 -27.874
   38    HG3  PRO   4           HG3      PRO   4 -16.883  -2.610 -26.985
   39    HD2  PRO   4           HD2      PRO   4 -13.894  -3.061 -26.802
   40    HD3  PRO   4           HD3      PRO   4 -14.803  -1.521 -26.917
   41    H    GLY   5           H        GLY   5 -17.198  -3.989 -22.500
   42    HA2  GLY   5           HA2      GLY   5 -17.128  -5.575 -20.817
   43    HA3  GLY   5           HA3      GLY   5 -15.587  -6.188 -21.440
   44    H    TRP   6           H        TRP   6 -14.639  -3.145 -21.202
   45    HA   TRP   6           HA       TRP   6 -13.456  -3.579 -18.567
   46    HB2  TRP   6           HB2      TRP   6 -13.050  -1.479 -20.683
   47    HB3  TRP   6           HB3      TRP   6 -12.187  -1.503 -19.140
   48    HD1  TRP   6           HD1      TRP   6 -12.349  -3.180 -22.524
   49    HE1  TRP   6           HE1      TRP   6 -10.325  -4.706 -22.882
   50    HE3  TRP   6           HE3      TRP   6 -10.398  -3.074 -17.776
   51    HZ2  TRP   6           HZ2      TRP   6  -8.308  -5.949 -21.271
   52    HZ3  TRP   6           HZ3      TRP   6  -8.373  -4.437 -17.237
   53    HH2  TRP   6           HH2      TRP   6  -7.351  -5.893 -18.955
   54    H    GLU   7           H        GLU   7 -13.592  -2.421 -16.769
   55    HA   GLU   7           HA       GLU   7 -15.422  -0.090 -16.479
   56    HB2  GLU   7           HB2      GLU   7 -16.620  -2.283 -16.057
   57    HB3  GLU   7           HB3      GLU   7 -15.435  -2.629 -14.798
   58    HG2  GLU   7           HG2      GLU   7 -16.238  -0.441 -13.675
   59    HG3  GLU   7           HG3      GLU   7 -17.532  -0.423 -14.864
   60    H    LYS   8           H        LYS   8 -14.847   1.290 -14.707
   61    HA   LYS   8           HA       LYS   8 -12.145   1.026 -13.589
   62    HB2  LYS   8           HB2      LYS   8 -14.346   3.088 -13.306
   63    HB3  LYS   8           HB3      LYS   8 -12.990   3.038 -12.166
   64    HG2  LYS   8           HG2      LYS   8 -11.371   3.162 -14.001
   65    HG3  LYS   8           HG3      LYS   8 -12.698   3.182 -15.179
   66    HD2  LYS   8           HD2      LYS   8 -11.922   5.434 -14.938
   67    HD3  LYS   8           HD3      LYS   8 -13.487   5.352 -14.106
   68    HE2  LYS   8           HE2      LYS   8 -12.301   5.105 -11.928
   69    HE3  LYS   8           HE3      LYS   8 -10.746   5.123 -12.773
   70    HZ1  LYS   8           HZ1      LYS   8 -12.681   7.377 -12.722
   71    HZ2  LYS   8           HZ2      LYS   8 -11.293   7.307 -11.870
   72    HZ3  LYS   8           HZ3      LYS   8 -11.240   7.392 -13.499
   73    H    ARG   9           H        ARG   9 -11.565   0.521 -11.660
   74    HA   ARG   9           HA       ARG   9 -13.450  -0.313  -9.522
   75    HB2  ARG   9           HB2      ARG   9 -12.950  -2.198 -11.237
   76    HB3  ARG   9           HB3      ARG   9 -11.333  -2.255 -10.546
   77    HG2  ARG   9           HG2      ARG   9 -12.177  -2.979  -8.422
   78    HG3  ARG   9           HG3      ARG   9 -13.838  -2.483  -8.809
   79    HD2  ARG   9           HD2      ARG   9 -12.377  -4.696 -10.303
   80    HD3  ARG   9           HD3      ARG   9 -13.359  -4.963  -8.844
   81    HE   ARG   9           HE       ARG   9 -14.752  -3.511 -10.988
   82   HH11  ARG   9          HH11      ARG   9 -16.549  -4.401 -11.891
   83   HH12  ARG   9          HH12      ARG   9 -16.914  -6.091 -11.611
   84   HH21  ARG   9          HH21      ARG   9 -14.132  -6.720  -9.712
   85   HH22  ARG   9          HH22      ARG   9 -15.577  -7.371 -10.439
   86    H    MET  10           H        MET  10 -12.029  -1.156  -7.551
   87    HA   MET  10           HA       MET  10  -9.605   0.495  -7.180
   88    HB2  MET  10           HB2      MET  10 -12.214   0.974  -5.663
   89    HB3  MET  10           HB3      MET  10 -10.625   1.597  -5.180
   90    HG2  MET  10           HG2      MET  10 -10.494   2.764  -7.407
   91    HG3  MET  10           HG3      MET  10 -12.172   2.301  -7.688
   92    HE1  MET  10           HE1      MET  10 -10.684   5.390  -4.562
   93    HE2  MET  10           HE2      MET  10 -10.365   3.663  -4.316
   94    HE3  MET  10           HE3      MET  10  -9.660   4.507  -5.714
   95    H    PHE  11           H        PHE  11  -8.330  -0.114  -5.575
   96    HA   PHE  11           HA       PHE  11  -8.809  -2.579  -4.039
   97    HB2  PHE  11           HB2      PHE  11  -6.525  -0.571  -4.090
   98    HB3  PHE  11           HB3      PHE  11  -6.533  -2.041  -3.131
   99    HD1  PHE  11           HD1      PHE  11  -6.032  -0.636  -6.485
  100    HD2  PHE  11           HD2      PHE  11  -6.430  -4.283  -4.216
  101    HE1  PHE  11           HE1      PHE  11  -5.000  -1.909  -8.347
  102    HE2  PHE  11           HE2      PHE  11  -5.396  -5.552  -6.083
  103    HZ   PHE  11           HZ       PHE  11  -4.680  -4.367  -8.151
  104    H    ALA  12           H        ALA  12  -8.759  -2.663  -1.720
  105    HA   ALA  12           HA       ALA  12 -10.407  -0.776  -0.396
  106    HB1  ALA  12           HB1      ALA  12  -9.920  -2.148   1.593
  107    HB2  ALA  12           HB2      ALA  12 -10.232  -3.169   0.178
  108    HB3  ALA  12           HB3      ALA  12  -8.563  -2.921   0.746
  109    H    ASN  13           H        ASN  13  -6.990  -0.625  -0.898
  110    HA   ASN  13           HA       ASN  13  -6.441   1.248   1.292
  111    HB2  ASN  13           HB2      ASN  13  -4.172   1.270   0.402
  112    HB3  ASN  13           HB3      ASN  13  -4.767  -0.385   0.589
  113   HD21  ASN  13          HD21      ASN  13  -3.066  -1.023  -0.869
  114    H    GLY  14           H        GLY  14  -8.100   1.692  -1.571
  115    HA2  GLY  14           HA2      GLY  14  -8.965   3.730  -2.316
  116    HA3  GLY  14           HA3      GLY  14  -7.660   4.620  -1.517
  117    H    THR  15           H        THR  15  -6.580   1.978  -3.506
  118    HA   THR  15           HA       THR  15  -5.554   3.884  -5.548
  119    HB   THR  15           HB       THR  15  -4.914   0.944  -5.135
  120    HG1  THR  15           HG1      THR  15  -4.196   2.013  -3.439
  121   HG21  THR  15          HG21      THR  15  -3.527   3.079  -6.810
  122   HG22  THR  15          HG22      THR  15  -2.864   1.471  -6.442
  123   HG23  THR  15          HG23      THR  15  -4.330   1.607  -7.413
  124    H    VAL  16           H        VAL  16  -6.076   3.823  -7.717
  125    HA   VAL  16           HA       VAL  16  -8.565   2.398  -8.431
  126    HB   VAL  16           HB       VAL  16  -7.057   4.697  -9.723
  127   HG11  VAL  16          HG11      VAL  16  -9.708   3.428 -10.522
  128   HG12  VAL  16          HG12      VAL  16  -9.108   4.999 -11.112
  129   HG13  VAL  16          HG13      VAL  16  -8.225   3.528 -11.507
  130   HG21  VAL  16          HG21      VAL  16  -8.239   5.258  -7.592
  131   HG22  VAL  16          HG22      VAL  16  -8.959   6.054  -8.994
  132   HG23  VAL  16          HG23      VAL  16  -9.745   4.625  -8.297
  133    H    TYR  17           H        TYR  17  -8.836   1.107 -10.170
  134    HA   TYR  17           HA       TYR  17  -6.714   0.654 -12.114
  135    HB2  TYR  17           HB2      TYR  17  -6.392  -1.658 -11.812
  136    HB3  TYR  17           HB3      TYR  17  -6.127  -0.921 -10.262
  137    HD1  TYR  17           HD1      TYR  17  -7.920  -1.147  -8.446
  138    HD2  TYR  17           HD2      TYR  17  -7.992  -3.396 -12.127
  139    HE1  TYR  17           HE1      TYR  17  -9.324  -2.906  -7.360
  140    HE2  TYR  17           HE2      TYR  17  -9.437  -5.111 -11.056
  141    HH   TYR  17           HH       TYR  17 -10.244  -5.893  -9.047
  142    H    TYR  18           H        TYR  18  -7.539  -1.222 -13.667
  143    HA   TYR  18           HA       TYR  18 -10.430  -0.784 -14.278
  144    HB2  TYR  18           HB2      TYR  18  -8.096  -0.994 -16.213
  145    HB3  TYR  18           HB3      TYR  18  -9.806  -0.869 -16.652
  146    HD1  TYR  18           HD1      TYR  18  -6.960   0.952 -15.047
  147    HD2  TYR  18           HD2      TYR  18 -10.910   1.264 -16.761
  148    HE1  TYR  18           HE1      TYR  18  -6.834   3.427 -14.875
  149    HE2  TYR  18           HE2      TYR  18 -10.761   3.742 -16.625
  150    HH   TYR  18           HH       TYR  18  -7.915   5.405 -15.248
  151    H    PHE  19           H        PHE  19 -11.605  -2.552 -14.759
  152    HA   PHE  19           HA       PHE  19 -10.278  -5.229 -14.932
  153    HB2  PHE  19           HB2      PHE  19 -10.967  -5.006 -12.672
  154    HB3  PHE  19           HB3      PHE  19 -12.522  -4.309 -13.114
  155    HD1  PHE  19           HD1      PHE  19 -14.418  -5.727 -13.771
  156    HD2  PHE  19           HD2      PHE  19 -10.533  -7.448 -12.995
  157    HE1  PHE  19           HE1      PHE  19 -15.437  -7.974 -13.618
  158    HE2  PHE  19           HE2      PHE  19 -11.557  -9.705 -12.899
  159    HZ   PHE  19           HZ       PHE  19 -14.017  -9.971 -13.199
  160    H    ASN  20           H        ASN  20 -11.165  -6.676 -16.309
  161    HA   ASN  20           HA       ASN  20 -13.396  -5.738 -18.033
  162    HB2  ASN  20           HB2      ASN  20 -11.178  -6.273 -19.045
  163    HB3  ASN  20           HB3      ASN  20 -11.397  -7.954 -18.543
  164   HD21  ASN  20          HD21      ASN  20 -11.520  -6.169 -21.215
  165   HD22  ASN  20          HD22      ASN  20 -12.885  -6.909 -22.039
  166    H    HIS  21           H        HIS  21 -15.368  -6.519 -17.604
  167    HA   HIS  21           HA       HIS  21 -15.705  -8.743 -15.755
  168    HB2  HIS  21           HB2      HIS  21 -17.859  -8.061 -15.526
  169    HB3  HIS  21           HB3      HIS  21 -17.093  -6.546 -15.992
  170    HD2  HIS  21           HD2      HIS  21 -17.911  -5.421 -18.286
  171    HE1  HIS  21           HE1      HIS  21 -20.824  -8.332 -19.384
  172    HE2  HIS  21           HE2      HIS  21 -19.896  -6.020 -19.906
  173    H    ILE  22           H        ILE  22 -15.450  -8.627 -19.152
  174    HA   ILE  22           HA       ILE  22 -17.027 -11.076 -19.662
  175    HB   ILE  22           HB       ILE  22 -15.401  -9.311 -21.539
  176   HG12  ILE  22          HG12      ILE  22 -18.410  -9.373 -20.982
  177   HG13  ILE  22          HG13      ILE  22 -17.290  -8.089 -20.493
  178   HG21  ILE  22          HG21      ILE  22 -17.447 -11.486 -22.166
  179   HG22  ILE  22          HG22      ILE  22 -16.632 -10.446 -23.355
  180   HG23  ILE  22          HG23      ILE  22 -15.692 -11.600 -22.431
  181   HD11  ILE  22          HD11      ILE  22 -18.441  -7.272 -22.368
  182   HD12  ILE  22          HD12      ILE  22 -16.801  -7.659 -22.926
  183   HD13  ILE  22          HD13      ILE  22 -18.161  -8.743 -23.315
  184    H    THR  23           H        THR  23 -13.634  -9.992 -19.672
  185    HA   THR  23           HA       THR  23 -12.689 -12.762 -20.247
  186    HB   THR  23           HB       THR  23 -10.640 -11.760 -20.984
  187    HG1  THR  23           HG1      THR  23 -10.696  -9.365 -20.994
  188   HG21  THR  23          HG21      THR  23 -11.343 -10.411 -22.848
  189   HG22  THR  23          HG22      THR  23 -12.598 -11.634 -22.582
  190   HG23  THR  23          HG23      THR  23 -12.859  -9.955 -22.049
  191    H    ASN  24           H        ASN  24 -13.034 -10.796 -17.540
  192    HA   ASN  24           HA       ASN  24 -12.255 -10.719 -15.470
  193    HB2  ASN  24           HB2      ASN  24 -11.136 -13.505 -15.895
  194    HB3  ASN  24           HB3      ASN  24 -11.472 -12.717 -14.346
  195   HD21  ASN  24          HD21      ASN  24 -13.719 -12.345 -13.737
  196   HD22  ASN  24          HD22      ASN  24 -14.982 -13.314 -14.501
  197    H    ALA  25           H        ALA  25 -10.376  -9.968 -17.809
  198    HA   ALA  25           HA       ALA  25  -7.721 -10.021 -16.624
  199    HB1  ALA  25           HB1      ALA  25  -8.871  -8.358 -18.905
  200    HB2  ALA  25           HB2      ALA  25  -7.150  -8.573 -18.524
  201    HB3  ALA  25           HB3      ALA  25  -8.113  -9.960 -19.066
  202    H    SER  26           H        SER  26  -6.503  -8.106 -15.971
  203    HA   SER  26           HA       SER  26  -7.994  -5.682 -15.259
  204    HB2  SER  26           HB2      SER  26  -7.185  -5.666 -12.920
  205    HB3  SER  26           HB3      SER  26  -8.331  -6.965 -13.250
  206    HG   SER  26           HG       SER  26  -5.495  -7.199 -13.075
  207    H    GLN  27           H        GLN  27  -6.752  -3.836 -15.009
  208    HA   GLN  27           HA       GLN  27  -3.820  -3.960 -15.100
  209    HB2  GLN  27           HB2      GLN  27  -3.582  -2.741 -17.161
  210    HB3  GLN  27           HB3      GLN  27  -4.456  -4.249 -17.453
  211    HG2  GLN  27           HG2      GLN  27  -6.546  -3.105 -17.732
  212    HG3  GLN  27           HG3      GLN  27  -5.863  -1.574 -17.204
  213   HE21  GLN  27          HE21      GLN  27  -4.571  -0.374 -18.647
  214   HE22  GLN  27          HE22      GLN  27  -4.311  -0.849 -20.332
  215    H    PHE  28           H        PHE  28  -2.783  -1.861 -14.737
  216    HA   PHE  28           HA       PHE  28  -4.359  -0.348 -12.780
  217    HB2  PHE  28           HB2      PHE  28  -2.241  -1.117 -12.076
  218    HB3  PHE  28           HB3      PHE  28  -1.441  -0.532 -13.543
  219    HD1  PHE  28           HD1      PHE  28  -0.630   1.682 -13.745
  220    HD2  PHE  28           HD2      PHE  28  -3.066   0.591 -10.361
  221    HE1  PHE  28           HE1      PHE  28  -0.075   3.848 -12.651
  222    HE2  PHE  28           HE2      PHE  28  -2.505   2.749  -9.261
  223    HZ   PHE  28           HZ       PHE  28  -1.009   4.379 -10.402
  224    H    GLU  29           H        GLU  29  -2.589   0.436 -15.787
  225    HA   GLU  29           HA       GLU  29  -3.656   3.208 -15.838
  226    HB2  GLU  29           HB2      GLU  29  -2.373   3.468 -17.853
  227    HB3  GLU  29           HB3      GLU  29  -1.342   2.880 -16.559
  228    HG2  GLU  29           HG2      GLU  29  -2.526   0.987 -18.643
  229    HG3  GLU  29           HG3      GLU  29  -1.080   1.926 -18.960
  230    H    ARG  30           H        ARG  30  -4.905   3.899 -17.888
  231    HA   ARG  30           HA       ARG  30  -7.135   2.143 -17.949
  232    HB2  ARG  30           HB2      ARG  30  -8.334   3.688 -19.247
  233    HB3  ARG  30           HB3      ARG  30  -7.392   4.584 -18.081
  234    HG2  ARG  30           HG2      ARG  30  -6.045   5.518 -19.642
  235    HG3  ARG  30           HG3      ARG  30  -6.197   4.228 -20.842
  236    HD2  ARG  30           HD2      ARG  30  -8.469   6.110 -20.124
  237    HD3  ARG  30           HD3      ARG  30  -7.343   6.375 -21.469
  238    HE   ARG  30           HE       ARG  30  -8.302   3.764 -21.842
  239   HH11  ARG  30          HH11      ARG  30  -9.832   3.216 -23.191
  240   HH12  ARG  30          HH12      ARG  30 -11.153   4.328 -23.593
  241   HH21  ARG  30          HH21      ARG  30 -11.106   6.383 -22.877
  242   HH22  ARG  30          HH22      ARG  30  -9.864   6.922 -21.767
  243    HA   PRO  31           HA       PRO  31  -6.493  -0.376 -21.579
  244    HB2  PRO  31           HB2      PRO  31  -9.044  -1.206 -22.057
  245    HB3  PRO  31           HB3      PRO  31  -8.116  -1.744 -20.617
  246    HG2  PRO  31           HG2      PRO  31 -10.158   0.496 -20.796
  247    HG3  PRO  31           HG3      PRO  31 -10.049  -0.806 -19.573
  248    HD2  PRO  31           HD2      PRO  31  -9.016   1.716 -19.173
  249    HD3  PRO  31           HD3      PRO  31  -8.268   0.232 -18.488
  250    H    SER  32           H        SER  32  -6.690  -0.296 -23.838
  251    HA   SER  32           HA       SER  32  -8.518   1.517 -25.189
  252    HB2  SER  32           HB2      SER  32  -6.700   3.073 -24.468
  253    HB3  SER  32           HB3      SER  32  -5.520   2.046 -25.313
  254    HG   SER  32           HG       SER  32  -7.566   3.683 -26.367
  255    H    GLY  33           H        GLY  33  -8.769   0.972 -27.311
  256    HA2  GLY  33           HA2      GLY  33  -8.678  -0.204 -29.305
  257    HA3  GLY  33           HA3      GLY  33  -6.981  -0.540 -28.968
  258    H1   4N2 101           H1       4N2  34  -3.446  -0.239  -3.700
  259    H2   4N2 101           H2       4N2  34  -4.016  -2.635  -3.653
  260    H3   4N2 101           H3       4N2  34  -2.070  -3.552  -4.991
  261    H4   4N2 101           H4       4N2  34  -0.163  -1.959  -5.468
  262    H5   4N2 101           H5       4N2  34  -1.164   0.142  -4.759
  263    H62  4N2 101           H62      4N2  34   1.137  -0.463  -2.842
  264    H61  4N2 101           H61      4N2  34   1.330  -0.026  -4.542
  265    HO2  4N2 101           H2O      4N2  34  -3.182  -3.435  -1.746
  266    HO3  4N2 101           H3O      4N2  34  -3.536  -2.267  -6.121
  267    HO4  4N2 101           H4O      4N2  34  -0.559  -3.074  -2.872
  268    HO6  4N2 101           H6O      4N2  34  -0.015   1.572  -2.581
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -16.344   6.077 -23.975
    2    H2   LYS   1           H2       LYS   1 -16.307   4.553 -23.385
    3    H3   LYS   1           H3       LYS   1 -15.770   4.862 -24.901
    4    HA   LYS   1           HA       LYS   1 -13.958   6.196 -24.091
    5    HB2  LYS   1           HB2      LYS   1 -15.125   5.528 -21.370
    6    HB3  LYS   1           HB3      LYS   1 -13.428   5.977 -21.601
    7    HG2  LYS   1           HG2      LYS   1 -14.098   8.123 -22.617
    8    HG3  LYS   1           HG3      LYS   1 -15.804   7.694 -22.430
    9    HD2  LYS   1           HD2      LYS   1 -15.137   9.208 -20.657
   10    HD3  LYS   1           HD3      LYS   1 -15.542   7.629 -19.971
   11    HE2  LYS   1           HE2      LYS   1 -13.134   7.068 -19.783
   12    HE3  LYS   1           HE3      LYS   1 -12.705   8.598 -20.566
   13    HZ1  LYS   1           HZ1      LYS   1 -13.715   9.769 -18.688
   14    HZ2  LYS   1           HZ2      LYS   1 -14.116   8.361 -17.962
   15    HZ3  LYS   1           HZ3      LYS   1 -12.545   8.767 -18.152
   16    H    LEU   2           H        LEU   2 -14.469   3.367 -21.904
   17    HA   LEU   2           HA       LEU   2 -11.899   2.283 -22.696
   18    HB2  LEU   2           HB2      LEU   2 -14.031   0.910 -21.028
   19    HB3  LEU   2           HB3      LEU   2 -12.322   0.562 -21.121
   20    HG   LEU   2           HG       LEU   2 -12.497   1.461 -19.077
   21   HD11  LEU   2          HD11      LEU   2 -11.855   4.007 -20.600
   22   HD12  LEU   2          HD12      LEU   2 -11.303   3.503 -18.990
   23   HD13  LEU   2          HD13      LEU   2 -10.736   2.632 -20.426
   24   HD21  LEU   2          HD21      LEU   2 -13.741   3.360 -18.339
   25   HD22  LEU   2          HD22      LEU   2 -14.237   3.772 -19.986
   26   HD23  LEU   2          HD23      LEU   2 -14.822   2.272 -19.222
   27    HA   PRO   3           HA       PRO   3 -13.319  -0.681 -25.779
   28    HB2  PRO   3           HB2      PRO   3 -11.710  -2.877 -24.590
   29    HB3  PRO   3           HB3      PRO   3 -11.580  -2.118 -26.200
   30    HG2  PRO   3           HG2      PRO   3  -9.729  -1.684 -24.211
   31    HG3  PRO   3           HG3      PRO   3 -10.172  -0.445 -25.423
   32    HD2  PRO   3           HD2      PRO   3 -11.147  -0.722 -22.581
   33    HD3  PRO   3           HD3      PRO   3 -10.638   0.746 -23.471
   34    HA   PRO   4           HA       PRO   4 -16.599  -3.238 -24.331
   35    HB2  PRO   4           HB2      PRO   4 -15.320  -5.660 -25.625
   36    HB3  PRO   4           HB3      PRO   4 -17.038  -5.137 -25.658
   37    HG2  PRO   4           HG2      PRO   4 -15.459  -4.559 -27.761
   38    HG3  PRO   4           HG3      PRO   4 -16.508  -3.270 -27.074
   39    HD2  PRO   4           HD2      PRO   4 -13.553  -3.748 -26.576
   40    HD3  PRO   4           HD3      PRO   4 -14.398  -2.216 -26.967
   41    H    GLY   5           H        GLY   5 -17.132  -4.056 -22.458
   42    HA2  GLY   5           HA2      GLY   5 -17.218  -5.433 -20.605
   43    HA3  GLY   5           HA3      GLY   5 -15.722  -6.231 -21.122
   44    H    TRP   6           H        TRP   6 -14.539  -3.242 -21.128
   45    HA   TRP   6           HA       TRP   6 -13.403  -3.506 -18.458
   46    HB2  TRP   6           HB2      TRP   6 -13.038  -1.448 -20.619
   47    HB3  TRP   6           HB3      TRP   6 -12.144  -1.455 -19.091
   48    HD1  TRP   6           HD1      TRP   6 -12.297  -3.034 -22.474
   49    HE1  TRP   6           HE1      TRP   6 -10.219  -4.464 -22.915
   50    HE3  TRP   6           HE3      TRP   6 -10.356  -3.097 -17.733
   51    HZ2  TRP   6           HZ2      TRP   6  -8.256  -5.828 -21.333
   52    HZ3  TRP   6           HZ3      TRP   6  -8.331  -4.475 -17.241
   53    HH2  TRP   6           HH2      TRP   6  -7.300  -5.863 -19.012
   54    H    GLU   7           H        GLU   7 -13.766  -2.391 -16.655
   55    HA   GLU   7           HA       GLU   7 -15.215   0.182 -16.654
   56    HB2  GLU   7           HB2      GLU   7 -16.941  -1.594 -16.404
   57    HB3  GLU   7           HB3      GLU   7 -16.063  -2.259 -15.033
   58    HG2  GLU   7           HG2      GLU   7 -18.020  -0.987 -14.328
   59    HG3  GLU   7           HG3      GLU   7 -16.550  -0.269 -13.700
   60    H    LYS   8           H        LYS   8 -14.878   1.407 -14.684
   61    HA   LYS   8           HA       LYS   8 -12.232   1.073 -13.531
   62    HB2  LYS   8           HB2      LYS   8 -14.497   3.030 -13.040
   63    HB3  LYS   8           HB3      LYS   8 -13.043   3.000 -12.025
   64    HG2  LYS   8           HG2      LYS   8 -11.598   3.305 -13.979
   65    HG3  LYS   8           HG3      LYS   8 -13.013   3.270 -15.050
   66    HD2  LYS   8           HD2      LYS   8 -12.396   5.563 -14.788
   67    HD3  LYS   8           HD3      LYS   8 -13.870   5.334 -13.831
   68    HE2  LYS   8           HE2      LYS   8 -12.451   5.077 -11.776
   69    HE3  LYS   8           HE3      LYS   8 -11.003   5.320 -12.766
   70    HZ1  LYS   8           HZ1      LYS   8 -11.705   7.378 -11.678
   71    HZ2  LYS   8           HZ2      LYS   8 -11.827   7.551 -13.295
   72    HZ3  LYS   8           HZ3      LYS   8 -13.170   7.321 -12.392
   73    H    ARG   9           H        ARG   9 -11.628   0.626 -11.613
   74    HA   ARG   9           HA       ARG   9 -13.338  -0.626  -9.502
   75    HB2  ARG   9           HB2      ARG   9 -11.499  -1.982 -11.403
   76    HB3  ARG   9           HB3      ARG   9 -10.999  -2.199  -9.749
   77    HG2  ARG   9           HG2      ARG   9 -12.379  -4.039 -10.497
   78    HG3  ARG   9           HG3      ARG   9 -13.135  -3.190  -9.131
   79    HD2  ARG   9           HD2      ARG   9 -14.731  -2.123 -10.550
   80    HD3  ARG   9           HD3      ARG   9 -13.864  -2.611 -12.029
   81    HE   ARG   9           HE       ARG   9 -14.550  -4.990 -10.712
   82   HH11  ARG   9          HH11      ARG   9 -16.336  -2.307 -12.077
   83   HH12  ARG   9          HH12      ARG   9 -17.714  -3.307 -12.477
   84   HH21  ARG   9          HH21      ARG   9 -16.336  -6.204 -11.236
   85   HH22  ARG   9          HH22      ARG   9 -17.708  -5.452 -12.006
   86    H    MET  10           H        MET  10 -11.975  -1.114  -7.514
   87    HA   MET  10           HA       MET  10  -9.561   0.514  -7.186
   88    HB2  MET  10           HB2      MET  10 -11.564   2.092  -6.917
   89    HB3  MET  10           HB3      MET  10 -11.994   1.152  -5.475
   90    HG2  MET  10           HG2      MET  10  -9.674   1.717  -4.570
   91    HG3  MET  10           HG3      MET  10  -9.449   2.734  -5.987
   92    HE1  MET  10           HE1      MET  10 -12.531   2.177  -3.457
   93    HE2  MET  10           HE2      MET  10 -11.033   2.274  -2.502
   94    HE3  MET  10           HE3      MET  10 -12.242   3.571  -2.397
   95    H    PHE  11           H        PHE  11  -8.267  -0.156  -5.565
   96    HA   PHE  11           HA       PHE  11  -8.879  -2.582  -4.026
   97    HB2  PHE  11           HB2      PHE  11  -6.492  -0.697  -4.103
   98    HB3  PHE  11           HB3      PHE  11  -6.574  -2.125  -3.089
   99    HD1  PHE  11           HD1      PHE  11  -6.713  -4.419  -4.107
  100    HD2  PHE  11           HD2      PHE  11  -5.899  -0.895  -6.457
  101    HE1  PHE  11           HE1      PHE  11  -5.785  -5.837  -5.923
  102    HE2  PHE  11           HE2      PHE  11  -4.986  -2.316  -8.272
  103    HZ   PHE  11           HZ       PHE  11  -4.923  -4.788  -8.009
  104    H    ALA  12           H        ALA  12  -8.789  -2.706  -1.703
  105    HA   ALA  12           HA       ALA  12 -10.355  -0.798  -0.323
  106    HB1  ALA  12           HB1      ALA  12  -8.506  -2.970   0.760
  107    HB2  ALA  12           HB2      ALA  12  -9.826  -2.181   1.649
  108    HB3  ALA  12           HB3      ALA  12 -10.195  -3.194   0.243
  109    H    ASN  13           H        ASN  13  -6.943  -0.719  -0.901
  110    HA   ASN  13           HA       ASN  13  -6.316   1.163   1.259
  111    HB2  ASN  13           HB2      ASN  13  -4.062   1.114   0.344
  112    HB3  ASN  13           HB3      ASN  13  -4.699  -0.524   0.542
  113   HD21  ASN  13          HD21      ASN  13  -3.180  -1.362  -0.946
  114    H    GLY  14           H        GLY  14  -7.989   1.613  -1.604
  115    HA2  GLY  14           HA2      GLY  14  -8.819   3.664  -2.354
  116    HA3  GLY  14           HA3      GLY  14  -7.483   4.532  -1.583
  117    H    THR  15           H        THR  15  -6.442   1.860  -3.542
  118    HA   THR  15           HA       THR  15  -5.428   3.736  -5.615
  119    HB   THR  15           HB       THR  15  -4.808   0.792  -5.199
  120    HG1  THR  15           HG1      THR  15  -4.060   1.858  -3.509
  121   HG21  THR  15          HG21      THR  15  -4.266   1.487  -7.490
  122   HG22  THR  15          HG22      THR  15  -3.414   2.926  -6.873
  123   HG23  THR  15          HG23      THR  15  -2.785   1.295  -6.547
  124    H    VAL  16           H        VAL  16  -6.204   3.849  -7.657
  125    HA   VAL  16           HA       VAL  16  -8.605   2.262  -8.325
  126    HB   VAL  16           HB       VAL  16  -7.421   4.828  -9.416
  127   HG11  VAL  16          HG11      VAL  16  -9.975   3.436 -10.316
  128   HG12  VAL  16          HG12      VAL  16  -9.497   5.096 -10.728
  129   HG13  VAL  16          HG13      VAL  16  -8.528   3.744 -11.308
  130   HG21  VAL  16          HG21      VAL  16  -9.458   5.836  -8.461
  131   HG22  VAL  16          HG22      VAL  16 -10.003   4.244  -7.896
  132   HG23  VAL  16          HG23      VAL  16  -8.548   4.993  -7.204
  133    H    TYR  17           H        TYR  17  -8.906   1.084 -10.155
  134    HA   TYR  17           HA       TYR  17  -6.823   0.815 -12.195
  135    HB2  TYR  17           HB2      TYR  17  -6.466  -1.526 -11.955
  136    HB3  TYR  17           HB3      TYR  17  -6.104  -0.772 -10.433
  137    HD1  TYR  17           HD1      TYR  17  -7.650  -1.084  -8.466
  138    HD2  TYR  17           HD2      TYR  17  -8.159  -3.236 -12.172
  139    HE1  TYR  17           HE1      TYR  17  -8.905  -2.865  -7.264
  140    HE2  TYR  17           HE2      TYR  17  -9.483  -4.974 -10.980
  141    HH   TYR  17           HH       TYR  17  -9.967  -4.876  -7.439
  142    H    TYR  18           H        TYR  18  -7.643  -1.070 -13.777
  143    HA   TYR  18           HA       TYR  18 -10.569  -0.697 -14.276
  144    HB2  TYR  18           HB2      TYR  18  -8.333  -0.925 -16.318
  145    HB3  TYR  18           HB3      TYR  18 -10.061  -0.761 -16.662
  146    HD1  TYR  18           HD1      TYR  18 -11.142   1.415 -16.646
  147    HD2  TYR  18           HD2      TYR  18  -7.060   0.983 -15.300
  148    HE1  TYR  18           HE1      TYR  18 -10.924   3.880 -16.501
  149    HE2  TYR  18           HE2      TYR  18  -6.850   3.459 -15.155
  150    HH   TYR  18           HH       TYR  18  -9.555   5.640 -15.999
  151    H    PHE  19           H        PHE  19 -11.734  -2.498 -14.655
  152    HA   PHE  19           HA       PHE  19 -10.349  -5.146 -14.889
  153    HB2  PHE  19           HB2      PHE  19 -11.029  -4.992 -12.628
  154    HB3  PHE  19           HB3      PHE  19 -12.584  -4.280 -13.048
  155    HD1  PHE  19           HD1      PHE  19 -10.620  -7.427 -12.981
  156    HD2  PHE  19           HD2      PHE  19 -14.496  -5.675 -13.734
  157    HE1  PHE  19           HE1      PHE  19 -11.652  -9.683 -12.955
  158    HE2  PHE  19           HE2      PHE  19 -15.523  -7.921 -13.644
  159    HZ   PHE  19           HZ       PHE  19 -14.104  -9.935 -13.279
  160    H    ASN  20           H        ASN  20 -11.214  -6.593 -16.270
  161    HA   ASN  20           HA       ASN  20 -13.450  -5.669 -17.992
  162    HB2  ASN  20           HB2      ASN  20 -11.190  -6.138 -18.984
  163    HB3  ASN  20           HB3      ASN  20 -11.421  -7.839 -18.567
  164   HD21  ASN  20          HD21      ASN  20 -11.510  -5.924 -21.143
  165   HD22  ASN  20          HD22      ASN  20 -12.921  -6.522 -21.994
  166    H    HIS  21           H        HIS  21 -15.395  -6.479 -17.532
  167    HA   HIS  21           HA       HIS  21 -15.681  -8.805 -15.810
  168    HB2  HIS  21           HB2      HIS  21 -17.830  -8.156 -15.515
  169    HB3  HIS  21           HB3      HIS  21 -17.109  -6.611 -15.952
  170    HD2  HIS  21           HD2      HIS  21 -17.993  -5.439 -18.195
  171    HE1  HIS  21           HE1      HIS  21 -20.854  -8.386 -19.336
  172    HE2  HIS  21           HE2      HIS  21 -19.989  -6.036 -19.802
  173    H    ILE  22           H        ILE  22 -15.457  -8.504 -19.207
  174    HA   ILE  22           HA       ILE  22 -16.981 -10.961 -19.829
  175    HB   ILE  22           HB       ILE  22 -15.411  -9.044 -21.603
  176   HG12  ILE  22          HG12      ILE  22 -18.421  -9.307 -21.093
  177   HG13  ILE  22          HG13      ILE  22 -17.381  -7.994 -20.514
  178   HG21  ILE  22          HG21      ILE  22 -15.566 -11.288 -22.632
  179   HG22  ILE  22          HG22      ILE  22 -17.325 -11.292 -22.376
  180   HG23  ILE  22          HG23      ILE  22 -16.566 -10.140 -23.497
  181   HD11  ILE  22          HD11      ILE  22 -16.882  -7.419 -22.928
  182   HD12  ILE  22          HD12      ILE  22 -18.200  -8.531 -23.375
  183   HD13  ILE  22          HD13      ILE  22 -18.536  -7.120 -22.355
  184    H    THR  23           H        THR  23 -13.606  -9.814 -19.797
  185    HA   THR  23           HA       THR  23 -12.622 -12.537 -20.504
  186    HB   THR  23           HB       THR  23 -10.579 -11.473 -21.176
  187    HG1  THR  23           HG1      THR  23 -10.701  -9.073 -21.091
  188   HG21  THR  23          HG21      THR  23 -12.526 -11.321 -22.780
  189   HG22  THR  23          HG22      THR  23 -12.831  -9.673 -22.177
  190   HG23  THR  23          HG23      THR  23 -11.300 -10.058 -22.985
  191    H    ASN  24           H        ASN  24 -13.056 -10.793 -17.688
  192    HA   ASN  24           HA       ASN  24 -12.325 -10.858 -15.599
  193    HB2  ASN  24           HB2      ASN  24 -12.811 -13.308 -15.978
  194    HB3  ASN  24           HB3      ASN  24 -11.070 -13.550 -16.205
  195   HD21  ASN  24          HD21      ASN  24 -10.382 -14.597 -14.367
  196   HD22  ASN  24          HD22      ASN  24 -10.800 -14.082 -12.729
  197    H    ALA  25           H        ALA  25 -10.454  -9.814 -17.780
  198    HA   ALA  25           HA       ALA  25  -7.798  -9.956 -16.558
  199    HB1  ALA  25           HB1      ALA  25  -7.174  -8.471 -18.407
  200    HB2  ALA  25           HB2      ALA  25  -8.121  -9.845 -19.007
  201    HB3  ALA  25           HB3      ALA  25  -8.883  -8.248 -18.834
  202    H    SER  26           H        SER  26  -6.599  -8.047 -15.849
  203    HA   SER  26           HA       SER  26  -8.101  -5.617 -15.181
  204    HB2  SER  26           HB2      SER  26  -7.317  -5.575 -12.828
  205    HB3  SER  26           HB3      SER  26  -8.487  -6.852 -13.155
  206    HG   SER  26           HG       SER  26  -5.658  -7.155 -12.959
  207    H    GLN  27           H        GLN  27  -6.859  -3.774 -15.011
  208    HA   GLN  27           HA       GLN  27  -3.930  -3.935 -14.921
  209    HB2  GLN  27           HB2      GLN  27  -3.534  -2.802 -16.999
  210    HB3  GLN  27           HB3      GLN  27  -4.425  -4.296 -17.304
  211    HG2  GLN  27           HG2      GLN  27  -6.468  -3.090 -17.745
  212    HG3  GLN  27           HG3      GLN  27  -5.759  -1.566 -17.224
  213   HE21  GLN  27          HE21      GLN  27  -4.657  -0.343 -18.731
  214   HE22  GLN  27          HE22      GLN  27  -4.179  -0.939 -20.334
  215    H    PHE  28           H        PHE  28  -2.891  -1.943 -14.419
  216    HA   PHE  28           HA       PHE  28  -4.526  -0.244 -12.733
  217    HB2  PHE  28           HB2      PHE  28  -2.423  -0.964 -11.927
  218    HB3  PHE  28           HB3      PHE  28  -1.585  -0.464 -13.403
  219    HD1  PHE  28           HD1      PHE  28  -3.298   0.834 -10.343
  220    HD2  PHE  28           HD2      PHE  28  -0.766   1.730 -13.710
  221    HE1  PHE  28           HE1      PHE  28  -2.761   3.051  -9.346
  222    HE2  PHE  28           HE2      PHE  28  -0.229   3.953 -12.720
  223    HZ   PHE  28           HZ       PHE  28  -1.225   4.611 -10.531
  224    H    GLU  29           H        GLU  29  -2.672   0.353 -15.742
  225    HA   GLU  29           HA       GLU  29  -3.594   3.151 -15.889
  226    HB2  GLU  29           HB2      GLU  29  -2.217   3.338 -17.829
  227    HB3  GLU  29           HB3      GLU  29  -1.304   2.540 -16.546
  228    HG2  GLU  29           HG2      GLU  29  -1.848   0.317 -17.651
  229    HG3  GLU  29           HG3      GLU  29  -2.565   1.217 -18.991
  230    H    ARG  30           H        ARG  30  -4.704   3.979 -17.862
  231    HA   ARG  30           HA       ARG  30  -7.190   2.681 -18.104
  232    HB2  ARG  30           HB2      ARG  30  -6.464   5.190 -18.482
  233    HB3  ARG  30           HB3      ARG  30  -6.259   4.698 -20.159
  234    HG2  ARG  30           HG2      ARG  30  -8.798   3.675 -19.468
  235    HG3  ARG  30           HG3      ARG  30  -8.687   5.179 -18.550
  236    HD2  ARG  30           HD2      ARG  30  -9.631   5.941 -20.465
  237    HD3  ARG  30           HD3      ARG  30  -7.931   6.207 -20.872
  238    HE   ARG  30           HE       ARG  30  -8.412   3.652 -21.834
  239   HH11  ARG  30          HH11      ARG  30 -10.075   6.692 -22.443
  240   HH12  ARG  30          HH12      ARG  30 -10.806   6.064 -23.901
  241   HH21  ARG  30          HH21      ARG  30  -9.390   2.962 -23.617
  242   HH22  ARG  30          HH22      ARG  30 -10.559   3.974 -24.462
  243    HA   PRO  31           HA       PRO  31  -6.193  -0.275 -21.360
  244    HB2  PRO  31           HB2      PRO  31  -8.715  -1.230 -21.944
  245    HB3  PRO  31           HB3      PRO  31  -7.759  -1.719 -20.510
  246    HG2  PRO  31           HG2      PRO  31  -9.905   0.415 -20.674
  247    HG3  PRO  31           HG3      PRO  31  -9.734  -0.890 -19.456
  248    HD2  PRO  31           HD2      PRO  31  -8.868   1.588 -18.921
  249    HD3  PRO  31           HD3      PRO  31  -7.885   0.174 -18.431
  250    H    SER  32           H        SER  32  -5.769   0.078 -23.427
  251    HA   SER  32           HA       SER  32  -5.473   1.240 -25.327
  252    HB2  SER  32           HB2      SER  32  -8.500   1.275 -25.445
  253    HB3  SER  32           HB3      SER  32  -7.391   1.587 -26.803
  254    HG   SER  32           HG       SER  32  -7.563  -0.807 -25.282
  255    H    GLY  33           H        GLY  33  -5.507   2.879 -22.893
  256    HA2  GLY  33           HA2      GLY  33  -6.594   5.499 -23.402
  257    HA3  GLY  33           HA3      GLY  33  -5.306   5.093 -22.268
  258    H1   4N2 101           H1       4N2  34  -3.520  -0.560  -3.786
  259    H2   4N2 101           H2       4N2  34  -3.998  -2.961  -3.617
  260    H3   4N2 101           H3       4N2  34  -2.026  -3.900  -4.909
  261    H4   4N2 101           H4       4N2  34  -0.173  -2.277  -5.495
  262    H5   4N2 101           H5       4N2  34  -1.245  -0.172  -4.905
  263    H62  4N2 101           H62      4N2  34   1.080  -0.578  -2.966
  264    H61  4N2 101           H61      4N2  34   1.258  -0.251  -4.692
  265    HO2  4N2 101           H2O      4N2  34  -1.488  -3.379  -2.303
  266    HO3  4N2 101           H3O      4N2  34  -3.562  -2.698  -6.079
  267    HO4  4N2 101           H4O      4N2  34   0.466  -3.780  -4.016
  268    HO6  4N2 101           H6O      4N2  34  -0.146   1.433  -2.849
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1 -17.340   4.330 -22.259
    2    H2   LYS   1           H2       LYS   1 -16.870   5.011 -23.672
    3    H3   LYS   1           H3       LYS   1 -17.697   5.892 -22.576
    4    HA   LYS   1           HA       LYS   1 -15.405   6.533 -22.562
    5    HB2  LYS   1           HB2      LYS   1 -16.709   6.677 -20.461
    6    HB3  LYS   1           HB3      LYS   1 -16.156   5.065 -20.000
    7    HG2  LYS   1           HG2      LYS   1 -13.782   5.909 -20.062
    8    HG3  LYS   1           HG3      LYS   1 -14.397   7.516 -20.490
    9    HD2  LYS   1           HD2      LYS   1 -15.634   7.607 -18.326
   10    HD3  LYS   1           HD3      LYS   1 -15.083   5.971 -17.946
   11    HE2  LYS   1           HE2      LYS   1 -13.675   7.445 -16.728
   12    HE3  LYS   1           HE3      LYS   1 -12.706   6.776 -18.045
   13    HZ1  LYS   1           HZ1      LYS   1 -12.395   9.182 -17.809
   14    HZ2  LYS   1           HZ2      LYS   1 -13.066   8.869 -19.262
   15    HZ3  LYS   1           HZ3      LYS   1 -13.983   9.464 -18.047
   16    H    LEU   2           H        LEU   2 -15.365   3.252 -21.024
   17    HA   LEU   2           HA       LEU   2 -12.663   2.790 -22.087
   18    HB2  LEU   2           HB2      LEU   2 -14.489   1.119 -20.313
   19    HB3  LEU   2           HB3      LEU   2 -12.899   0.641 -20.817
   20    HG   LEU   2           HG       LEU   2 -12.422   1.328 -18.753
   21   HD11  LEU   2          HD11      LEU   2 -12.118   4.016 -20.137
   22   HD12  LEU   2          HD12      LEU   2 -11.213   3.409 -18.743
   23   HD13  LEU   2          HD13      LEU   2 -11.002   2.642 -20.325
   24   HD21  LEU   2          HD21      LEU   2 -14.320   3.680 -18.937
   25   HD22  LEU   2          HD22      LEU   2 -14.643   2.116 -18.149
   26   HD23  LEU   2          HD23      LEU   2 -13.372   3.177 -17.524
   27    HA   PRO   3           HA       PRO   3 -13.821   0.158 -25.528
   28    HB2  PRO   3           HB2      PRO   3 -11.910  -1.840 -25.439
   29    HB3  PRO   3           HB3      PRO   3 -11.592  -0.165 -25.994
   30    HG2  PRO   3           HG2      PRO   3 -11.126  -1.332 -23.230
   31    HG3  PRO   3           HG3      PRO   3  -9.982  -0.395 -24.237
   32    HD2  PRO   3           HD2      PRO   3 -11.419   0.791 -22.304
   33    HD3  PRO   3           HD3      PRO   3 -11.157   1.612 -23.862
   34    HA   PRO   4           HA       PRO   4 -16.649  -2.818 -24.387
   35    HB2  PRO   4           HB2      PRO   4 -15.279  -4.935 -26.068
   36    HB3  PRO   4           HB3      PRO   4 -17.029  -4.538 -25.959
   37    HG2  PRO   4           HG2      PRO   4 -15.579  -3.537 -27.998
   38    HG3  PRO   4           HG3      PRO   4 -16.693  -2.450 -27.099
   39    HD2  PRO   4           HD2      PRO   4 -13.693  -2.742 -26.797
   40    HD3  PRO   4           HD3      PRO   4 -14.687  -1.253 -26.873
   41    H    GLY   5           H        GLY   5 -17.111  -3.934 -22.650
   42    HA2  GLY   5           HA2      GLY   5 -17.070  -5.503 -20.965
   43    HA3  GLY   5           HA3      GLY   5 -15.575  -6.188 -21.625
   44    H    TRP   6           H        TRP   6 -14.548  -3.122 -21.322
   45    HA   TRP   6           HA       TRP   6 -13.380  -3.615 -18.666
   46    HB2  TRP   6           HB2      TRP   6 -12.873  -1.541 -20.793
   47    HB3  TRP   6           HB3      TRP   6 -12.063  -1.548 -19.223
   48    HD1  TRP   6           HD1      TRP   6 -12.184  -3.331 -22.567
   49    HE1  TRP   6           HE1      TRP   6 -10.133  -4.844 -22.851
   50    HE3  TRP   6           HE3      TRP   6 -10.303  -3.052 -17.802
   51    HZ2  TRP   6           HZ2      TRP   6  -8.124  -6.014 -21.167
   52    HZ3  TRP   6           HZ3      TRP   6  -8.287  -4.384 -17.182
   53    HH2  TRP   6           HH2      TRP   6  -7.215  -5.884 -18.835
   54    H    GLU   7           H        GLU   7 -13.656  -2.519 -16.854
   55    HA   GLU   7           HA       GLU   7 -15.211   0.008 -16.716
   56    HB2  GLU   7           HB2      GLU   7 -15.729  -2.533 -15.105
   57    HB3  GLU   7           HB3      GLU   7 -16.332  -0.956 -14.627
   58    HG2  GLU   7           HG2      GLU   7 -17.068  -2.434 -17.178
   59    HG3  GLU   7           HG3      GLU   7 -18.044  -2.296 -15.722
   60    H    LYS   8           H        LYS   8 -14.987   1.018 -14.541
   61    HA   LYS   8           HA       LYS   8 -12.212   0.841 -13.528
   62    HB2  LYS   8           HB2      LYS   8 -14.495   2.775 -13.033
   63    HB3  LYS   8           HB3      LYS   8 -13.057   2.734 -11.997
   64    HG2  LYS   8           HG2      LYS   8 -11.580   3.110 -13.891
   65    HG3  LYS   8           HG3      LYS   8 -12.952   3.029 -15.013
   66    HD2  LYS   8           HD2      LYS   8 -12.408   5.342 -14.733
   67    HD3  LYS   8           HD3      LYS   8 -13.919   5.069 -13.851
   68    HE2  LYS   8           HE2      LYS   8 -12.600   4.860 -11.728
   69    HE3  LYS   8           HE3      LYS   8 -11.112   5.146 -12.644
   70    HZ1  LYS   8           HZ1      LYS   8 -13.356   7.080 -12.387
   71    HZ2  LYS   8           HZ2      LYS   8 -11.933   7.182 -11.596
   72    HZ3  LYS   8           HZ3      LYS   8 -11.973   7.351 -13.217
   73    H    ARG   9           H        ARG   9 -11.610   0.347 -11.583
   74    HA   ARG   9           HA       ARG   9 -13.432  -0.586  -9.455
   75    HB2  ARG   9           HB2      ARG   9 -12.957  -2.512 -11.077
   76    HB3  ARG   9           HB3      ARG   9 -11.282  -2.465 -10.537
   77    HG2  ARG   9           HG2      ARG   9 -11.895  -3.141  -8.314
   78    HG3  ARG   9           HG3      ARG   9 -13.612  -2.774  -8.581
   79    HD2  ARG   9           HD2      ARG   9 -12.125  -4.930 -10.132
   80    HD3  ARG   9           HD3      ARG   9 -12.935  -5.224  -8.574
   81    HE   ARG   9           HE       ARG   9 -14.724  -3.934 -10.439
   82   HH11  ARG   9          HH11      ARG   9 -16.473  -5.046 -11.217
   83   HH12  ARG   9          HH12      ARG   9 -16.489  -6.788 -11.167
   84   HH21  ARG   9          HH21      ARG   9 -13.400  -7.099  -9.721
   85   HH22  ARG   9          HH22      ARG   9 -14.790  -7.922 -10.377
   86    H    MET  10           H        MET  10 -12.006  -1.278  -7.461
   87    HA   MET  10           HA       MET  10  -9.590   0.404  -7.175
   88    HB2  MET  10           HB2      MET  10 -12.118   0.888  -5.519
   89    HB3  MET  10           HB3      MET  10 -10.540   1.664  -5.313
   90    HG2  MET  10           HG2      MET  10 -11.655   3.309  -6.399
   91    HG3  MET  10           HG3      MET  10 -10.882   2.498  -7.751
   92    HE1  MET  10           HE1      MET  10 -14.063   3.598  -9.575
   93    HE2  MET  10           HE2      MET  10 -12.986   4.502  -8.486
   94    HE3  MET  10           HE3      MET  10 -12.303   3.348  -9.657
   95    H    PHE  11           H        PHE  11  -8.304  -0.140  -5.540
   96    HA   PHE  11           HA       PHE  11  -8.776  -2.566  -3.941
   97    HB2  PHE  11           HB2      PHE  11  -6.483  -0.570  -4.059
   98    HB3  PHE  11           HB3      PHE  11  -6.495  -2.007  -3.052
   99    HD1  PHE  11           HD1      PHE  11  -6.021  -0.726  -6.461
  100    HD2  PHE  11           HD2      PHE  11  -6.412  -4.284  -4.054
  101    HE1  PHE  11           HE1      PHE  11  -5.046  -2.077  -8.299
  102    HE2  PHE  11           HE2      PHE  11  -5.426  -5.630  -5.895
  103    HZ   PHE  11           HZ       PHE  11  -4.746  -4.530  -8.021
  104    H    ALA  12           H        ALA  12  -8.736  -2.606  -1.630
  105    HA   ALA  12           HA       ALA  12 -10.361  -0.680  -0.332
  106    HB1  ALA  12           HB1      ALA  12 -10.199  -3.063   0.289
  107    HB2  ALA  12           HB2      ALA  12  -8.524  -2.816   0.839
  108    HB3  ALA  12           HB3      ALA  12  -9.868  -2.015   1.681
  109    H    ASN  13           H        ASN  13  -6.943  -0.581  -0.854
  110    HA   ASN  13           HA       ASN  13  -6.348   1.326   1.288
  111    HB2  ASN  13           HB2      ASN  13  -4.099   1.317   0.359
  112    HB3  ASN  13           HB3      ASN  13  -4.704  -0.333   0.559
  113   HD21  ASN  13          HD21      ASN  13  -3.169  -1.139  -0.943
  114    H    GLY  14           H        GLY  14  -8.030   1.739  -1.582
  115    HA2  GLY  14           HA2      GLY  14  -8.907   3.774  -2.329
  116    HA3  GLY  14           HA3      GLY  14  -7.586   4.670  -1.560
  117    H    THR  15           H        THR  15  -6.535   2.002  -3.530
  118    HA   THR  15           HA       THR  15  -5.555   3.881  -5.621
  119    HB   THR  15           HB       THR  15  -4.908   0.945  -5.190
  120    HG1  THR  15           HG1      THR  15  -4.138   2.035  -3.527
  121   HG21  THR  15          HG21      THR  15  -4.398   1.594  -7.494
  122   HG22  THR  15          HG22      THR  15  -3.566   3.062  -6.925
  123   HG23  THR  15          HG23      THR  15  -2.901   1.452  -6.570
  124    H    VAL  16           H        VAL  16  -6.227   3.889  -7.717
  125    HA   VAL  16           HA       VAL  16  -8.649   2.337  -8.403
  126    HB   VAL  16           HB       VAL  16  -7.336   4.783  -9.635
  127   HG11  VAL  16          HG11      VAL  16  -9.425   5.007 -10.973
  128   HG12  VAL  16          HG12      VAL  16  -8.457   3.615 -11.448
  129   HG13  VAL  16          HG13      VAL  16  -9.912   3.378 -10.448
  130   HG21  VAL  16          HG21      VAL  16  -9.968   4.452  -8.141
  131   HG22  VAL  16          HG22      VAL  16  -8.494   5.170  -7.459
  132   HG23  VAL  16          HG23      VAL  16  -9.319   5.964  -8.805
  133    H    TYR  17           H        TYR  17  -8.883   1.079 -10.176
  134    HA   TYR  17           HA       TYR  17  -6.759   0.767 -12.161
  135    HB2  TYR  17           HB2      TYR  17  -6.353  -1.544 -11.871
  136    HB3  TYR  17           HB3      TYR  17  -6.079  -0.786 -10.331
  137    HD1  TYR  17           HD1      TYR  17  -7.787  -1.083  -8.464
  138    HD2  TYR  17           HD2      TYR  17  -7.939  -3.315 -12.152
  139    HE1  TYR  17           HE1      TYR  17  -9.058  -2.904  -7.324
  140    HE2  TYR  17           HE2      TYR  17  -9.279  -5.083 -11.034
  141    HH   TYR  17           HH       TYR  17  -9.882  -5.937  -8.970
  142    H    TYR  18           H        TYR  18  -7.507  -1.148 -13.719
  143    HA   TYR  18           HA       TYR  18 -10.412  -0.796 -14.307
  144    HB2  TYR  18           HB2      TYR  18  -8.111  -0.987 -16.277
  145    HB3  TYR  18           HB3      TYR  18  -9.830  -0.866 -16.679
  146    HD1  TYR  18           HD1      TYR  18 -11.026   1.253 -16.522
  147    HD2  TYR  18           HD2      TYR  18  -6.905   0.953 -15.286
  148    HE1  TYR  18           HE1      TYR  18 -10.887   3.734 -16.368
  149    HE2  TYR  18           HE2      TYR  18  -6.783   3.434 -15.086
  150    HH   TYR  18           HH       TYR  18  -9.566   5.531 -15.894
  151    H    PHE  19           H        PHE  19 -11.567  -2.561 -14.800
  152    HA   PHE  19           HA       PHE  19 -10.238  -5.232 -14.939
  153    HB2  PHE  19           HB2      PHE  19 -10.865  -5.068 -12.676
  154    HB3  PHE  19           HB3      PHE  19 -12.408  -4.304 -13.044
  155    HD1  PHE  19           HD1      PHE  19 -14.358  -5.644 -13.788
  156    HD2  PHE  19           HD2      PHE  19 -10.563  -7.511 -12.923
  157    HE1  PHE  19           HE1      PHE  19 -15.461  -7.856 -13.693
  158    HE2  PHE  19           HE2      PHE  19 -11.670  -9.729 -12.865
  159    HZ   PHE  19           HZ       PHE  19 -14.123  -9.908 -13.252
  160    H    ASN  20           H        ASN  20 -11.145  -6.692 -16.269
  161    HA   ASN  20           HA       ASN  20 -13.321  -5.740 -18.048
  162    HB2  ASN  20           HB2      ASN  20 -11.089  -6.290 -19.000
  163    HB3  ASN  20           HB3      ASN  20 -11.303  -7.963 -18.468
  164   HD21  ASN  20          HD21      ASN  20 -11.321  -6.304 -21.191
  165   HD22  ASN  20          HD22      ASN  20 -12.657  -7.075 -22.036
  166    H    HIS  21           H        HIS  21 -15.319  -6.494 -17.636
  167    HA   HIS  21           HA       HIS  21 -15.670  -8.760 -15.816
  168    HB2  HIS  21           HB2      HIS  21 -17.789  -8.028 -15.478
  169    HB3  HIS  21           HB3      HIS  21 -16.989  -6.515 -15.897
  170    HD2  HIS  21           HD2      HIS  21 -17.682  -5.382 -18.284
  171    HE1  HIS  21           HE1      HIS  21 -21.003  -7.924 -19.104
  172    HE2  HIS  21           HE2      HIS  21 -19.815  -5.774 -19.775
  173    H    ILE  22           H        ILE  22 -15.395  -8.580 -19.175
  174    HA   ILE  22           HA       ILE  22 -17.045 -10.963 -19.774
  175    HB   ILE  22           HB       ILE  22 -15.212  -9.293 -21.535
  176   HG12  ILE  22          HG12      ILE  22 -17.103  -7.938 -20.683
  177   HG13  ILE  22          HG13      ILE  22 -17.152  -8.182 -22.424
  178   HG21  ILE  22          HG21      ILE  22 -17.200 -11.468 -22.263
  179   HG22  ILE  22          HG22      ILE  22 -16.480 -10.331 -23.425
  180   HG23  ILE  22          HG23      ILE  22 -15.447 -11.452 -22.538
  181   HD11  ILE  22          HD11      ILE  22 -18.938  -9.877 -22.159
  182   HD12  ILE  22          HD12      ILE  22 -18.864  -9.674 -20.389
  183   HD13  ILE  22          HD13      ILE  22 -19.381  -8.330 -21.425
  184    H    THR  23           H        THR  23 -13.611 -10.028 -19.578
  185    HA   THR  23           HA       THR  23 -12.763 -12.845 -20.086
  186    HB   THR  23           HB       THR  23 -10.640 -11.933 -20.734
  187    HG1  THR  23           HG1      THR  23 -10.551  -9.565 -20.773
  188   HG21  THR  23          HG21      THR  23 -12.505 -11.774 -22.430
  189   HG22  THR  23          HG22      THR  23 -12.740 -10.079 -21.940
  190   HG23  THR  23          HG23      THR  23 -11.201 -10.596 -22.654
  191    H    ASN  24           H        ASN  24 -13.074 -10.764 -17.431
  192    HA   ASN  24           HA       ASN  24 -12.335 -10.648 -15.356
  193    HB2  ASN  24           HB2      ASN  24 -11.334 -13.494 -15.621
  194    HB3  ASN  24           HB3      ASN  24 -11.656 -12.610 -14.122
  195   HD21  ASN  24          HD21      ASN  24 -12.993 -14.821 -16.267
  196   HD22  ASN  24          HD22      ASN  24 -14.681 -14.591 -15.800
  197    H    ALA  25           H        ALA  25 -10.416 -10.061 -17.698
  198    HA   ALA  25           HA       ALA  25  -7.777 -10.128 -16.473
  199    HB1  ALA  25           HB1      ALA  25  -8.131 -10.109 -18.925
  200    HB2  ALA  25           HB2      ALA  25  -8.857  -8.488 -18.805
  201    HB3  ALA  25           HB3      ALA  25  -7.148  -8.734 -18.391
  202    H    SER  26           H        SER  26  -6.540  -8.181 -15.882
  203    HA   SER  26           HA       SER  26  -8.008  -5.724 -15.321
  204    HB2  SER  26           HB2      SER  26  -7.333  -5.546 -12.971
  205    HB3  SER  26           HB3      SER  26  -8.455  -6.877 -13.238
  206    HG   SER  26           HG       SER  26  -6.732  -8.316 -13.138
  207    H    GLN  27           H        GLN  27  -6.733  -3.897 -15.004
  208    HA   GLN  27           HA       GLN  27  -3.816  -4.080 -14.990
  209    HB2  GLN  27           HB2      GLN  27  -3.421  -2.938 -17.053
  210    HB3  GLN  27           HB3      GLN  27  -4.390  -4.376 -17.389
  211    HG2  GLN  27           HG2      GLN  27  -6.404  -3.005 -17.668
  212    HG3  GLN  27           HG3      GLN  27  -5.521  -1.558 -17.203
  213   HE21  GLN  27          HE21      GLN  27  -4.931  -0.328 -18.931
  214   HE22  GLN  27          HE22      GLN  27  -4.450  -0.983 -20.511
  215    H    PHE  28           H        PHE  28  -2.768  -2.024 -14.551
  216    HA   PHE  28           HA       PHE  28  -4.372  -0.396 -12.766
  217    HB2  PHE  28           HB2      PHE  28  -2.199  -1.070 -12.094
  218    HB3  PHE  28           HB3      PHE  28  -1.464  -0.494 -13.596
  219    HD1  PHE  28           HD1      PHE  28  -0.736   1.731 -13.864
  220    HD2  PHE  28           HD2      PHE  28  -3.095   0.648 -10.429
  221    HE1  PHE  28           HE1      PHE  28  -0.241   3.948 -12.832
  222    HE2  PHE  28           HE2      PHE  28  -2.600   2.857  -9.388
  223    HZ   PHE  28           HZ       PHE  28  -1.172   4.505 -10.586
  224    H    GLU  29           H        GLU  29  -2.828   0.219 -15.932
  225    HA   GLU  29           HA       GLU  29  -3.679   3.050 -15.884
  226    HB2  GLU  29           HB2      GLU  29  -2.332   3.343 -17.824
  227    HB3  GLU  29           HB3      GLU  29  -1.408   2.462 -16.605
  228    HG2  GLU  29           HG2      GLU  29  -1.970   0.316 -17.835
  229    HG3  GLU  29           HG3      GLU  29  -2.718   1.292 -19.103
  230    H    ARG  30           H        ARG  30  -4.835   4.038 -17.670
  231    HA   ARG  30           HA       ARG  30  -7.317   2.764 -18.099
  232    HB2  ARG  30           HB2      ARG  30  -7.062   5.138 -17.883
  233    HB3  ARG  30           HB3      ARG  30  -6.106   5.256 -19.350
  234    HG2  ARG  30           HG2      ARG  30  -8.863   4.048 -19.551
  235    HG3  ARG  30           HG3      ARG  30  -8.751   5.790 -19.252
  236    HD2  ARG  30           HD2      ARG  30  -7.895   6.278 -21.321
  237    HD3  ARG  30           HD3      ARG  30  -6.990   4.777 -21.434
  238    HE   ARG  30           HE       ARG  30  -8.768   3.669 -22.376
  239   HH11  ARG  30          HH11      ARG  30 -10.062   6.764 -21.318
  240   HH12  ARG  30          HH12      ARG  30 -11.502   6.548 -22.289
  241   HH21  ARG  30          HH21      ARG  30 -11.813   4.711 -23.439
  242   HH22  ARG  30          HH22      ARG  30 -10.510   3.542 -23.602
  243    HA   PRO  31           HA       PRO  31  -6.155   0.229 -21.583
  244    HB2  PRO  31           HB2      PRO  31  -8.528  -1.029 -22.118
  245    HB3  PRO  31           HB3      PRO  31  -7.541  -1.374 -20.663
  246    HG2  PRO  31           HG2      PRO  31  -9.896   0.526 -20.889
  247    HG3  PRO  31           HG3      PRO  31  -9.650  -0.770 -19.684
  248    HD2  PRO  31           HD2      PRO  31  -9.021   1.799 -19.136
  249    HD3  PRO  31           HD3      PRO  31  -7.941   0.478 -18.594
  250    H    SER  32           H        SER  32  -5.867   0.640 -23.692
  251    HA   SER  32           HA       SER  32  -7.452   2.745 -25.006
  252    HB2  SER  32           HB2      SER  32  -5.626   2.718 -26.649
  253    HB3  SER  32           HB3      SER  32  -5.035   2.913 -24.982
  254    HG   SER  32           HG       SER  32  -3.825   1.370 -26.191
  255    H    GLY  33           H        GLY  33  -7.358  -0.700 -25.122
  256    HA2  GLY  33           HA2      GLY  33  -8.686  -2.212 -26.292
  257    HA3  GLY  33           HA3      GLY  33  -9.464  -0.869 -27.127
  258    H1   4N2 101           H1       4N2  34  -3.586  -0.380  -3.781
  259    H2   4N2 101           H2       4N2  34  -3.914  -2.798  -3.570
  260    H3   4N2 101           H3       4N2  34  -1.884  -3.649  -4.847
  261    H4   4N2 101           H4       4N2  34  -0.145  -1.934  -5.487
  262    H5   4N2 101           H5       4N2  34  -1.391   0.115  -4.945
  263    H62  4N2 101           H62      4N2  34   0.238   1.396  -3.559
  264    H61  4N2 101           H61      4N2  34   1.084  -0.102  -3.168
  265    HO2  4N2 101           H2O      4N2  34  -2.631  -4.133  -2.365
  266    HO3  4N2 101           H3O      4N2  34  -3.509  -2.579  -6.036
  267    HO4  4N2 101           H4O      4N2  34  -0.391  -2.746  -2.749
  268    HO6  4N2 101           H6O      4N2  34   2.020   0.997  -4.985
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1 -15.710   4.653 -23.811
    2    H2   LYS   1           H2       LYS   1 -14.794   5.018 -25.119
    3    H3   LYS   1           H3       LYS   1 -15.660   6.184 -24.376
    4    HA   LYS   1           HA       LYS   1 -13.357   6.425 -23.843
    5    HB2  LYS   1           HB2      LYS   1 -15.029   7.141 -22.187
    6    HB3  LYS   1           HB3      LYS   1 -15.020   5.543 -21.450
    7    HG2  LYS   1           HG2      LYS   1 -13.708   7.100 -20.138
    8    HG3  LYS   1           HG3      LYS   1 -12.654   5.849 -20.785
    9    HD2  LYS   1           HD2      LYS   1 -11.886   7.406 -22.570
   10    HD3  LYS   1           HD3      LYS   1 -12.926   8.676 -21.914
   11    HE2  LYS   1           HE2      LYS   1 -10.702   7.265 -20.362
   12    HE3  LYS   1           HE3      LYS   1 -10.477   8.775 -21.252
   13    HZ1  LYS   1           HZ1      LYS   1 -12.152   9.807 -19.823
   14    HZ2  LYS   1           HZ2      LYS   1 -12.346   8.423 -18.973
   15    HZ3  LYS   1           HZ3      LYS   1 -10.924   9.220 -18.927
   16    H    LEU   2           H        LEU   2 -14.364   3.413 -22.083
   17    HA   LEU   2           HA       LEU   2 -11.680   2.263 -22.641
   18    HB2  LEU   2           HB2      LEU   2 -13.898   1.182 -20.862
   19    HB3  LEU   2           HB3      LEU   2 -12.288   0.543 -21.055
   20    HG   LEU   2           HG       LEU   2 -12.087   1.503 -19.053
   21   HD11  LEU   2          HD11      LEU   2 -10.355   2.469 -20.619
   22   HD12  LEU   2          HD12      LEU   2 -11.315   3.953 -20.667
   23   HD13  LEU   2          HD13      LEU   2 -10.648   3.375 -19.126
   24   HD21  LEU   2          HD21      LEU   2 -13.714   3.928 -19.873
   25   HD22  LEU   2          HD22      LEU   2 -14.280   2.548 -18.911
   26   HD23  LEU   2          HD23      LEU   2 -13.011   3.608 -18.277
   27    HA   PRO   3           HA       PRO   3 -13.355  -0.532 -25.716
   28    HB2  PRO   3           HB2      PRO   3 -11.916  -2.881 -24.630
   29    HB3  PRO   3           HB3      PRO   3 -11.706  -2.048 -26.193
   30    HG2  PRO   3           HG2      PRO   3  -9.863  -1.882 -24.142
   31    HG3  PRO   3           HG3      PRO   3 -10.144  -0.566 -25.315
   32    HD2  PRO   3           HD2      PRO   3 -11.228  -0.855 -22.518
   33    HD3  PRO   3           HD3      PRO   3 -10.566   0.595 -23.335
   34    HA   PRO   4           HA       PRO   4 -16.775  -2.948 -24.245
   35    HB2  PRO   4           HB2      PRO   4 -15.693  -5.351 -25.737
   36    HB3  PRO   4           HB3      PRO   4 -17.375  -4.724 -25.674
   37    HG2  PRO   4           HG2      PRO   4 -15.837  -4.125 -27.803
   38    HG3  PRO   4           HG3      PRO   4 -16.784  -2.819 -27.007
   39    HD2  PRO   4           HD2      PRO   4 -13.845  -3.494 -26.644
   40    HD3  PRO   4           HD3      PRO   4 -14.609  -1.897 -26.929
   41    H    GLY   5           H        GLY   5 -17.343  -4.042 -22.478
   42    HA2  GLY   5           HA2      GLY   5 -17.324  -5.520 -20.695
   43    HA3  GLY   5           HA3      GLY   5 -15.817  -6.232 -21.299
   44    H    TRP   6           H        TRP   6 -14.830  -3.151 -21.158
   45    HA   TRP   6           HA       TRP   6 -13.595  -3.530 -18.525
   46    HB2  TRP   6           HB2      TRP   6 -13.232  -1.482 -20.707
   47    HB3  TRP   6           HB3      TRP   6 -12.352  -1.458 -19.174
   48    HD1  TRP   6           HD1      TRP   6 -12.463  -3.216 -22.505
   49    HE1  TRP   6           HE1      TRP   6 -10.329  -4.595 -22.826
   50    HE3  TRP   6           HE3      TRP   6 -10.639  -2.943 -17.740
   51    HZ2  TRP   6           HZ2      TRP   6  -8.286  -5.731 -21.136
   52    HZ3  TRP   6           HZ3      TRP   6  -8.548  -4.138 -17.130
   53    HH2  TRP   6           HH2      TRP   6  -7.350  -5.518 -18.804
   54    H    GLU   7           H        GLU   7 -13.785  -2.350 -16.728
   55    HA   GLU   7           HA       GLU   7 -15.229   0.222 -16.689
   56    HB2  GLU   7           HB2      GLU   7 -16.920  -1.589 -16.286
   57    HB3  GLU   7           HB3      GLU   7 -16.003  -2.098 -14.863
   58    HG2  GLU   7           HG2      GLU   7 -16.472   0.001 -13.742
   59    HG3  GLU   7           HG3      GLU   7 -17.083   0.723 -15.233
   60    H    LYS   8           H        LYS   8 -14.744   1.496 -14.766
   61    HA   LYS   8           HA       LYS   8 -12.094   1.062 -13.634
   62    HB2  LYS   8           HB2      LYS   8 -14.238   3.167 -13.224
   63    HB3  LYS   8           HB3      LYS   8 -12.808   3.071 -12.180
   64    HG2  LYS   8           HG2      LYS   8 -11.305   3.247 -14.081
   65    HG3  LYS   8           HG3      LYS   8 -12.675   3.209 -15.208
   66    HD2  LYS   8           HD2      LYS   8 -11.950   5.481 -15.047
   67    HD3  LYS   8           HD3      LYS   8 -13.488   5.374 -14.173
   68    HE2  LYS   8           HE2      LYS   8 -12.227   5.207 -12.022
   69    HE3  LYS   8           HE3      LYS   8 -10.702   5.288 -12.919
   70    HZ1  LYS   8           HZ1      LYS   8 -12.754   7.437 -12.851
   71    HZ2  LYS   8           HZ2      LYS   8 -11.339   7.463 -12.038
   72    HZ3  LYS   8           HZ3      LYS   8 -11.340   7.513 -13.670
   73    H    ARG   9           H        ARG   9 -11.547   0.585 -11.662
   74    HA   ARG   9           HA       ARG   9 -13.454  -0.370  -9.586
   75    HB2  ARG   9           HB2      ARG   9 -12.826  -2.193 -11.321
   76    HB3  ARG   9           HB3      ARG   9 -11.216  -2.175 -10.605
   77    HG2  ARG   9           HG2      ARG   9 -12.100  -2.958  -8.483
   78    HG3  ARG   9           HG3      ARG   9 -13.775  -2.631  -8.995
   79    HD2  ARG   9           HD2      ARG   9 -13.656  -4.382 -10.687
   80    HD3  ARG   9           HD3      ARG   9 -11.941  -4.676 -10.308
   81    HE   ARG   9           HE       ARG   9 -13.501  -4.953  -7.924
   82   HH11  ARG   9          HH11      ARG   9 -13.807  -8.369  -8.013
   83   HH12  ARG   9          HH12      ARG   9 -13.915  -6.932  -7.034
   84   HH21  ARG   9          HH21      ARG   9 -13.274  -8.269 -10.129
   85   HH22  ARG   9          HH22      ARG   9 -12.959  -6.744 -10.903
   86    H    MET  10           H        MET  10 -12.084  -1.109  -7.552
   87    HA   MET  10           HA       MET  10  -9.648   0.515  -7.185
   88    HB2  MET  10           HB2      MET  10 -11.623   2.081  -6.981
   89    HB3  MET  10           HB3      MET  10 -12.193   1.094  -5.621
   90    HG2  MET  10           HG2      MET  10  -9.906   1.594  -4.536
   91    HG3  MET  10           HG3      MET  10  -9.688   2.803  -5.793
   92    HE1  MET  10           HE1      MET  10 -12.499   5.418  -4.929
   93    HE2  MET  10           HE2      MET  10 -11.031   5.121  -5.879
   94    HE3  MET  10           HE3      MET  10 -12.498   4.155  -6.175
   95    H    PHE  11           H        PHE  11  -8.370  -0.170  -5.588
   96    HA   PHE  11           HA       PHE  11  -8.940  -2.643  -4.125
   97    HB2  PHE  11           HB2      PHE  11  -6.588  -0.710  -4.124
   98    HB3  PHE  11           HB3      PHE  11  -6.639  -2.195  -3.190
   99    HD1  PHE  11           HD1      PHE  11  -6.002  -0.761  -6.484
  100    HD2  PHE  11           HD2      PHE  11  -6.743  -4.430  -4.342
  101    HE1  PHE  11           HE1      PHE  11  -5.072  -2.058  -8.382
  102    HE2  PHE  11           HE2      PHE  11  -5.802  -5.724  -6.241
  103    HZ   PHE  11           HZ       PHE  11  -4.968  -4.540  -8.265
  104    H    ALA  12           H        ALA  12  -8.813  -2.854  -1.804
  105    HA   ALA  12           HA       ALA  12 -10.411  -1.040  -0.334
  106    HB1  ALA  12           HB1      ALA  12  -9.818  -2.480   1.579
  107    HB2  ALA  12           HB2      ALA  12 -10.180  -3.450   0.140
  108    HB3  ALA  12           HB3      ALA  12  -8.490  -3.200   0.644
  109    H    ASN  13           H        ASN  13  -7.010  -0.846  -0.956
  110    HA   ASN  13           HA       ASN  13  -6.401   0.971   1.264
  111    HB2  ASN  13           HB2      ASN  13  -4.164   1.019   0.317
  112    HB3  ASN  13           HB3      ASN  13  -4.752  -0.644   0.453
  113   HD21  ASN  13          HD21      ASN  13  -3.256  -1.398  -1.098
  114    H    GLY  14           H        GLY  14  -8.122   1.476  -1.567
  115    HA2  GLY  14           HA2      GLY  14  -9.026   3.521  -2.237
  116    HA3  GLY  14           HA3      GLY  14  -7.720   4.406  -1.433
  117    H    THR  15           H        THR  15  -6.566   1.865  -3.495
  118    HA   THR  15           HA       THR  15  -5.658   3.862  -5.503
  119    HB   THR  15           HB       THR  15  -4.895   0.937  -5.217
  120    HG1  THR  15           HG1      THR  15  -4.199   1.957  -3.476
  121   HG21  THR  15          HG21      THR  15  -2.893   1.608  -6.530
  122   HG22  THR  15          HG22      THR  15  -4.381   1.753  -7.469
  123   HG23  THR  15          HG23      THR  15  -3.613   3.211  -6.795
  124    H    VAL  16           H        VAL  16  -6.355   3.951  -7.586
  125    HA   VAL  16           HA       VAL  16  -8.705   2.312  -8.319
  126    HB   VAL  16           HB       VAL  16  -7.565   4.914  -9.369
  127   HG11  VAL  16          HG11      VAL  16  -8.569   3.803 -11.300
  128   HG12  VAL  16          HG12      VAL  16 -10.035   3.430 -10.357
  129   HG13  VAL  16          HG13      VAL  16  -9.611   5.112 -10.744
  130   HG21  VAL  16          HG21      VAL  16  -8.774   5.028  -7.197
  131   HG22  VAL  16          HG22      VAL  16  -9.670   5.846  -8.481
  132   HG23  VAL  16          HG23      VAL  16 -10.174   4.229  -7.946
  133    H    TYR  17           H        TYR  17  -8.920   1.135 -10.144
  134    HA   TYR  17           HA       TYR  17  -6.749   0.860 -12.100
  135    HB2  TYR  17           HB2      TYR  17  -6.375  -1.455 -11.779
  136    HB3  TYR  17           HB3      TYR  17  -6.151  -0.687 -10.240
  137    HD1  TYR  17           HD1      TYR  17  -7.927  -0.951  -8.437
  138    HD2  TYR  17           HD2      TYR  17  -7.938  -3.248 -12.093
  139    HE1  TYR  17           HE1      TYR  17  -9.221  -2.767  -7.312
  140    HE2  TYR  17           HE2      TYR  17  -9.298  -5.004 -10.990
  141    HH   TYR  17           HH       TYR  17 -10.022  -5.811  -8.955
  142    H    TYR  18           H        TYR  18  -7.512  -1.066 -13.665
  143    HA   TYR  18           HA       TYR  18 -10.393  -0.653 -14.356
  144    HB2  TYR  18           HB2      TYR  18  -8.014  -0.962 -16.223
  145    HB3  TYR  18           HB3      TYR  18  -9.712  -0.833 -16.706
  146    HD1  TYR  18           HD1      TYR  18  -6.825   1.005 -15.247
  147    HD2  TYR  18           HD2      TYR  18 -10.855   1.311 -16.770
  148    HE1  TYR  18           HE1      TYR  18  -6.664   3.485 -15.171
  149    HE2  TYR  18           HE2      TYR  18 -10.698   3.783 -16.668
  150    HH   TYR  18           HH       TYR  18  -7.753   5.461 -15.529
  151    H    PHE  19           H        PHE  19 -11.574  -2.434 -14.793
  152    HA   PHE  19           HA       PHE  19 -10.236  -5.098 -14.970
  153    HB2  PHE  19           HB2      PHE  19 -10.811  -4.882 -12.682
  154    HB3  PHE  19           HB3      PHE  19 -12.405  -4.226 -13.043
  155    HD1  PHE  19           HD1      PHE  19 -10.311  -7.303 -13.091
  156    HD2  PHE  19           HD2      PHE  19 -14.302  -5.709 -13.552
  157    HE1  PHE  19           HE1      PHE  19 -11.247  -9.596 -12.968
  158    HE2  PHE  19           HE2      PHE  19 -15.226  -7.996 -13.389
  159    HZ   PHE  19           HZ       PHE  19 -13.707  -9.948 -13.120
  160    H    ASN  20           H        ASN  20 -11.145  -6.551 -16.286
  161    HA   ASN  20           HA       ASN  20 -13.414  -5.664 -17.985
  162    HB2  ASN  20           HB2      ASN  20 -11.182  -6.204 -18.986
  163    HB3  ASN  20           HB3      ASN  20 -11.396  -7.877 -18.460
  164   HD21  ASN  20          HD21      ASN  20 -11.452  -6.211 -21.159
  165   HD22  ASN  20          HD22      ASN  20 -12.819  -6.932 -21.989
  166    H    HIS  21           H        HIS  21 -15.374  -6.445 -17.467
  167    HA   HIS  21           HA       HIS  21 -15.642  -8.658 -15.599
  168    HB2  HIS  21           HB2      HIS  21 -17.785  -7.987 -15.310
  169    HB3  HIS  21           HB3      HIS  21 -17.065  -6.473 -15.848
  170    HD2  HIS  21           HD2      HIS  21 -17.985  -5.430 -18.140
  171    HE1  HIS  21           HE1      HIS  21 -20.870  -8.428 -19.062
  172    HE2  HIS  21           HE2      HIS  21 -20.008  -6.113 -19.677
  173    H    ILE  22           H        ILE  22 -15.462  -8.562 -19.007
  174    HA   ILE  22           HA       ILE  22 -17.026 -11.028 -19.468
  175    HB   ILE  22           HB       ILE  22 -15.447  -9.246 -21.373
  176   HG12  ILE  22          HG12      ILE  22 -18.444  -9.406 -20.766
  177   HG13  ILE  22          HG13      ILE  22 -17.358  -8.075 -20.329
  178   HG21  ILE  22          HG21      ILE  22 -17.425 -11.490 -21.980
  179   HG22  ILE  22          HG22      ILE  22 -16.653 -10.427 -23.178
  180   HG23  ILE  22          HG23      ILE  22 -15.669 -11.547 -22.258
  181   HD11  ILE  22          HD11      ILE  22 -18.289  -8.817 -23.111
  182   HD12  ILE  22          HD12      ILE  22 -18.580  -7.330 -22.190
  183   HD13  ILE  22          HD13      ILE  22 -16.948  -7.687 -22.792
  184    H    THR  23           H        THR  23 -13.631  -9.944 -19.536
  185    HA   THR  23           HA       THR  23 -12.704 -12.725 -20.093
  186    HB   THR  23           HB       THR  23 -10.660 -11.728 -20.871
  187    HG1  THR  23           HG1      THR  23 -10.736  -9.334 -20.928
  188   HG21  THR  23          HG21      THR  23 -12.916  -9.977 -21.948
  189   HG22  THR  23          HG22      THR  23 -11.400 -10.424 -22.755
  190   HG23  THR  23          HG23      THR  23 -12.630 -11.662 -22.449
  191    H    ASN  24           H        ASN  24 -12.952 -10.670 -17.419
  192    HA   ASN  24           HA       ASN  24 -12.085 -10.513 -15.395
  193    HB2  ASN  24           HB2      ASN  24 -10.978 -13.312 -15.728
  194    HB3  ASN  24           HB3      ASN  24 -11.251 -12.444 -14.210
  195   HD21  ASN  24          HD21      ASN  24 -12.627 -14.672 -16.344
  196   HD22  ASN  24          HD22      ASN  24 -14.286 -14.538 -15.750
  197    H    ALA  25           H        ALA  25 -10.344  -9.849 -17.853
  198    HA   ALA  25           HA       ALA  25  -7.630  -9.828 -16.825
  199    HB1  ALA  25           HB1      ALA  25  -8.938  -8.196 -19.042
  200    HB2  ALA  25           HB2      ALA  25  -7.195  -8.385 -18.761
  201    HB3  ALA  25           HB3      ALA  25  -8.167  -9.788 -19.241
  202    H    SER  26           H        SER  26  -6.413  -7.898 -16.254
  203    HA   SER  26           HA       SER  26  -7.902  -5.505 -15.431
  204    HB2  SER  26           HB2      SER  26  -6.922  -5.487 -13.153
  205    HB3  SER  26           HB3      SER  26  -8.093  -6.775 -13.410
  206    HG   SER  26           HG       SER  26  -5.251  -7.012 -13.403
  207    H    GLN  27           H        GLN  27  -6.699  -3.670 -15.133
  208    HA   GLN  27           HA       GLN  27  -3.749  -3.686 -15.462
  209    HB2  GLN  27           HB2      GLN  27  -5.748  -2.343 -17.323
  210    HB3  GLN  27           HB3      GLN  27  -4.178  -1.601 -16.943
  211    HG2  GLN  27           HG2      GLN  27  -2.985  -3.528 -17.766
  212    HG3  GLN  27           HG3      GLN  27  -4.518  -4.297 -18.249
  213   HE21  GLN  27          HE21      GLN  27  -4.046  -0.846 -20.412
  214   HE22  GLN  27          HE22      GLN  27  -4.416  -0.797 -18.690
  215    H    PHE  28           H        PHE  28  -2.749  -1.820 -14.560
  216    HA   PHE  28           HA       PHE  28  -4.359  -0.225 -12.660
  217    HB2  PHE  28           HB2      PHE  28  -2.244  -0.969 -11.871
  218    HB3  PHE  28           HB3      PHE  28  -1.419  -0.456 -13.352
  219    HD1  PHE  28           HD1      PHE  28  -3.124   0.813 -10.272
  220    HD2  PHE  28           HD2      PHE  28  -0.648   1.766 -13.669
  221    HE1  PHE  28           HE1      PHE  28  -2.629   3.044  -9.287
  222    HE2  PHE  28           HE2      PHE  28  -0.174   4.005 -12.703
  223    HZ   PHE  28           HZ       PHE  28  -1.156   4.640 -10.493
  224    H    GLU  29           H        GLU  29  -2.731   0.153 -15.781
  225    HA   GLU  29           HA       GLU  29  -3.596   2.997 -16.031
  226    HB2  GLU  29           HB2      GLU  29  -2.152   3.105 -17.943
  227    HB3  GLU  29           HB3      GLU  29  -1.256   2.559 -16.533
  228    HG2  GLU  29           HG2      GLU  29  -2.326   0.621 -18.640
  229    HG3  GLU  29           HG3      GLU  29  -0.797   1.455 -18.823
  230    H    ARG  30           H        ARG  30  -4.621   3.630 -18.206
  231    HA   ARG  30           HA       ARG  30  -6.965   2.054 -18.228
  232    HB2  ARG  30           HB2      ARG  30  -7.983   3.591 -19.767
  233    HB3  ARG  30           HB3      ARG  30  -7.223   4.347 -18.394
  234    HG2  ARG  30           HG2      ARG  30  -6.946   5.726 -20.266
  235    HG3  ARG  30           HG3      ARG  30  -5.352   5.128 -19.789
  236    HD2  ARG  30           HD2      ARG  30  -5.751   5.313 -22.271
  237    HD3  ARG  30           HD3      ARG  30  -5.194   3.747 -21.722
  238    HE   ARG  30           HE       ARG  30  -7.114   2.792 -22.555
  239   HH11  ARG  30          HH11      ARG  30  -7.892   6.213 -22.288
  240   HH12  ARG  30          HH12      ARG  30  -9.447   5.959 -23.049
  241   HH21  ARG  30          HH21      ARG  30  -9.029   2.571 -23.392
  242   HH22  ARG  30          HH22      ARG  30 -10.116   3.947 -23.608
  243    HA   PRO  31           HA       PRO  31  -6.296  -1.072 -21.177
  244    HB2  PRO  31           HB2      PRO  31  -8.859  -1.783 -21.844
  245    HB3  PRO  31           HB3      PRO  31  -8.104  -2.120 -20.252
  246    HG2  PRO  31           HG2      PRO  31  -9.887   0.226 -20.991
  247    HG3  PRO  31           HG3      PRO  31 -10.057  -0.880 -19.589
  248    HD2  PRO  31           HD2      PRO  31  -8.841   1.494 -19.297
  249    HD3  PRO  31           HD3      PRO  31  -8.156   0.029 -18.524
  250    H    SER  32           H        SER  32  -5.833  -1.212 -23.291
  251    HA   SER  32           HA       SER  32  -6.986   0.780 -25.208
  252    HB2  SER  32           HB2      SER  32  -4.026   0.238 -24.766
  253    HB3  SER  32           HB3      SER  32  -4.744   1.379 -25.928
  254    HG   SER  32           HG       SER  32  -4.777   1.513 -23.090
  255    H    GLY  33           H        GLY  33  -7.124  -2.286 -24.878
  256    HA2  GLY  33           HA2      GLY  33  -5.756  -3.530 -27.092
  257    HA3  GLY  33           HA3      GLY  33  -7.103  -4.204 -26.177
  258    H1   4N2 101           H1       4N2  34  -3.663  -0.483  -3.893
  259    H2   4N2 101           H2       4N2  34  -4.006  -2.908  -3.820
  260    H3   4N2 101           H3       4N2  34  -1.995  -3.689  -5.159
  261    H4   4N2 101           H4       4N2  34  -0.229  -1.975  -5.681
  262    H5   4N2 101           H5       4N2  34  -1.430   0.069  -5.023
  263    H62  4N2 101           H62      4N2  34   0.196   1.265  -3.625
  264    H61  4N2 101           H61      4N2  34   0.952  -0.255  -3.141
  265    HO2  4N2 101           H2O      4N2  34  -1.454  -3.302  -2.609
  266    HO3  4N2 101           H3O      4N2  34  -3.605  -2.520  -6.266
  267    HO4  4N2 101           H4O      4N2  34   0.983  -2.529  -3.882
  268    HO6  4N2 101           H6O      4N2  34   2.045   0.793  -4.919
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -16.690   5.922 -23.529
    2    H2   LYS   1           H2       LYS   1 -17.952   6.412 -22.618
    3    H3   LYS   1           H3       LYS   1 -17.600   4.819 -22.728
    4    HA   LYS   1           HA       LYS   1 -15.901   6.892 -21.499
    5    HB2  LYS   1           HB2      LYS   1 -17.984   6.307 -20.200
    6    HB3  LYS   1           HB3      LYS   1 -17.378   4.662 -20.040
    7    HG2  LYS   1           HG2      LYS   1 -15.261   5.730 -18.968
    8    HG3  LYS   1           HG3      LYS   1 -16.146   7.250 -18.997
    9    HD2  LYS   1           HD2      LYS   1 -16.412   6.371 -16.811
   10    HD3  LYS   1           HD3      LYS   1 -17.967   6.120 -17.618
   11    HE2  LYS   1           HE2      LYS   1 -17.307   3.736 -18.071
   12    HE3  LYS   1           HE3      LYS   1 -15.763   4.030 -17.259
   13    HZ1  LYS   1           HZ1      LYS   1 -18.440   4.145 -15.989
   14    HZ2  LYS   1           HZ2      LYS   1 -17.290   3.005 -15.731
   15    HZ3  LYS   1           HZ3      LYS   1 -17.046   4.540 -15.227
   16    H    LEU   2           H        LEU   2 -16.148   3.353 -20.990
   17    HA   LEU   2           HA       LEU   2 -13.241   3.039 -21.515
   18    HB2  LEU   2           HB2      LEU   2 -15.265   1.830 -19.674
   19    HB3  LEU   2           HB3      LEU   2 -14.169   0.690 -20.386
   20    HG   LEU   2           HG       LEU   2 -12.254   1.648 -19.415
   21   HD11  LEU   2          HD11      LEU   2 -12.643   4.040 -19.713
   22   HD12  LEU   2          HD12      LEU   2 -13.889   4.007 -18.438
   23   HD13  LEU   2          HD13      LEU   2 -12.186   3.653 -18.055
   24   HD21  LEU   2          HD21      LEU   2 -13.502   0.349 -17.852
   25   HD22  LEU   2          HD22      LEU   2 -12.936   1.761 -16.957
   26   HD23  LEU   2          HD23      LEU   2 -14.611   1.700 -17.489
   27    HA   PRO   3           HA       PRO   3 -14.020   0.547 -25.081
   28    HB2  PRO   3           HB2      PRO   3 -11.941  -1.235 -25.087
   29    HB3  PRO   3           HB3      PRO   3 -11.740   0.522 -25.374
   30    HG2  PRO   3           HG2      PRO   3 -11.261  -1.030 -22.837
   31    HG3  PRO   3           HG3      PRO   3 -10.263   0.251 -23.557
   32    HD2  PRO   3           HD2      PRO   3 -12.114   0.598 -21.511
   33    HD3  PRO   3           HD3      PRO   3 -11.609   1.923 -22.593
   34    HA   PRO   4           HA       PRO   4 -16.644  -2.726 -24.377
   35    HB2  PRO   4           HB2      PRO   4 -15.022  -4.590 -26.131
   36    HB3  PRO   4           HB3      PRO   4 -16.800  -4.329 -26.102
   37    HG2  PRO   4           HG2      PRO   4 -15.323  -3.051 -27.956
   38    HG3  PRO   4           HG3      PRO   4 -16.554  -2.125 -27.029
   39    HD2  PRO   4           HD2      PRO   4 -13.561  -2.256 -26.571
   40    HD3  PRO   4           HD3      PRO   4 -14.642  -0.828 -26.598
   41    H    GLY   5           H        GLY   5 -17.086  -3.931 -22.705
   42    HA2  GLY   5           HA2      GLY   5 -17.019  -5.637 -21.139
   43    HA3  GLY   5           HA3      GLY   5 -15.445  -6.161 -21.762
   44    H    TRP   6           H        TRP   6 -14.725  -3.032 -21.203
   45    HA   TRP   6           HA       TRP   6 -13.584  -3.669 -18.565
   46    HB2  TRP   6           HB2      TRP   6 -13.134  -1.379 -20.480
   47    HB3  TRP   6           HB3      TRP   6 -12.335  -1.541 -18.915
   48    HD1  TRP   6           HD1      TRP   6 -12.421  -3.045 -22.406
   49    HE1  TRP   6           HE1      TRP   6 -10.302  -4.412 -22.835
   50    HE3  TRP   6           HE3      TRP   6 -10.484  -3.038 -17.660
   51    HZ2  TRP   6           HZ2      TRP   6  -8.205  -5.609 -21.271
   52    HZ3  TRP   6           HZ3      TRP   6  -8.400  -4.322 -17.166
   53    HH2  TRP   6           HH2      TRP   6  -7.276  -5.622 -18.946
   54    H    GLU   7           H        GLU   7 -13.876  -2.630 -16.681
   55    HA   GLU   7           HA       GLU   7 -15.497  -0.174 -16.518
   56    HB2  GLU   7           HB2      GLU   7 -17.063  -2.054 -16.157
   57    HB3  GLU   7           HB3      GLU   7 -16.052  -2.649 -14.847
   58    HG2  GLU   7           HG2      GLU   7 -18.037  -1.483 -14.022
   59    HG3  GLU   7           HG3      GLU   7 -16.570  -0.684 -13.496
   60    H    LYS   8           H        LYS   8 -15.070   1.072 -14.592
   61    HA   LYS   8           HA       LYS   8 -12.346   0.901 -13.582
   62    HB2  LYS   8           HB2      LYS   8 -14.667   2.782 -13.095
   63    HB3  LYS   8           HB3      LYS   8 -13.256   2.785 -12.025
   64    HG2  LYS   8           HG2      LYS   8 -11.744   3.109 -13.951
   65    HG3  LYS   8           HG3      LYS   8 -13.143   3.117 -15.041
   66    HD2  LYS   8           HD2      LYS   8 -12.471   5.389 -14.681
   67    HD3  LYS   8           HD3      LYS   8 -14.003   5.151 -13.825
   68    HE2  LYS   8           HE2      LYS   8 -12.756   4.869 -11.684
   69    HE3  LYS   8           HE3      LYS   8 -11.224   5.044 -12.551
   70    HZ1  LYS   8           HZ1      LYS   8 -13.318   7.143 -12.355
   71    HZ2  LYS   8           HZ2      LYS   8 -11.912   7.134 -11.529
   72    HZ3  LYS   8           HZ3      LYS   8 -11.899   7.305 -13.151
   73    H    ARG   9           H        ARG   9 -11.630   0.512 -11.645
   74    HA   ARG   9           HA       ARG   9 -13.322  -0.619  -9.486
   75    HB2  ARG   9           HB2      ARG   9 -12.415  -2.361 -11.326
   76    HB3  ARG   9           HB3      ARG   9 -10.909  -2.172 -10.468
   77    HG2  ARG   9           HG2      ARG   9 -12.188  -4.145  -9.767
   78    HG3  ARG   9           HG3      ARG   9 -11.941  -3.036  -8.406
   79    HD2  ARG   9           HD2      ARG   9 -14.244  -4.066  -8.526
   80    HD3  ARG   9           HD3      ARG   9 -14.210  -2.304  -8.437
   81    HE   ARG   9           HE       ARG   9 -14.968  -2.111 -10.651
   82   HH11  ARG   9          HH11      ARG   9 -14.515  -5.529  -9.964
   83   HH12  ARG   9          HH12      ARG   9 -15.430  -6.008 -11.367
   84   HH21  ARG   9          HH21      ARG   9 -16.152  -2.790 -12.344
   85   HH22  ARG   9          HH22      ARG   9 -16.374  -4.492 -12.656
   86    H    MET  10           H        MET  10 -12.050  -0.985  -7.427
   87    HA   MET  10           HA       MET  10  -9.412   0.213  -7.308
   88    HB2  MET  10           HB2      MET  10  -9.832   2.089  -5.924
   89    HB3  MET  10           HB3      MET  10 -10.903   2.196  -7.329
   90    HG2  MET  10           HG2      MET  10 -12.722   1.177  -5.816
   91    HG3  MET  10           HG3      MET  10 -11.594   1.492  -4.488
   92    HE1  MET  10           HE1      MET  10 -12.548   3.690  -7.747
   93    HE2  MET  10           HE2      MET  10 -14.044   2.957  -7.123
   94    HE3  MET  10           HE3      MET  10 -13.790   4.711  -7.000
   95    H    PHE  11           H        PHE  11  -8.211  -0.314  -5.600
   96    HA   PHE  11           HA       PHE  11  -9.040  -2.469  -3.810
   97    HB2  PHE  11           HB2      PHE  11  -6.553  -0.727  -3.986
   98    HB3  PHE  11           HB3      PHE  11  -6.752  -2.021  -2.817
   99    HD1  PHE  11           HD1      PHE  11  -6.063  -1.224  -6.344
  100    HD2  PHE  11           HD2      PHE  11  -6.790  -4.393  -3.509
  101    HE1  PHE  11           HE1      PHE  11  -5.197  -2.882  -7.974
  102    HE2  PHE  11           HE2      PHE  11  -5.901  -6.047  -5.137
  103    HZ   PHE  11           HZ       PHE  11  -5.114  -5.295  -7.375
  104    H    ALA  12           H        ALA  12  -9.139  -2.347  -1.512
  105    HA   ALA  12           HA       ALA  12 -10.595  -0.167  -0.434
  106    HB1  ALA  12           HB1      ALA  12 -10.369  -1.413   1.681
  107    HB2  ALA  12           HB2      ALA  12 -10.746  -2.506   0.338
  108    HB3  ALA  12           HB3      ALA  12  -9.086  -2.414   0.972
  109    H    ASN  13           H        ASN  13  -7.174  -0.480  -0.773
  110    HA   ASN  13           HA       ASN  13  -6.440   1.469   1.277
  111    HB2  ASN  13           HB2      ASN  13  -4.186   1.206   0.378
  112    HB3  ASN  13           HB3      ASN  13  -4.949  -0.365   0.659
  113   HD21  ASN  13          HD21      ASN  13  -3.424  -1.346  -0.766
  114    H    GLY  14           H        GLY  14  -7.995   1.889  -1.675
  115    HA2  GLY  14           HA2      GLY  14  -8.663   3.960  -2.539
  116    HA3  GLY  14           HA3      GLY  14  -7.283   4.766  -1.776
  117    H    THR  15           H        THR  15  -6.399   1.911  -3.560
  118    HA   THR  15           HA       THR  15  -5.246   3.595  -5.725
  119    HB   THR  15           HB       THR  15  -4.824   0.632  -5.221
  120    HG1  THR  15           HG1      THR  15  -4.048   1.689  -3.516
  121   HG21  THR  15          HG21      THR  15  -3.274   2.679  -6.872
  122   HG22  THR  15          HG22      THR  15  -2.772   1.004  -6.577
  123   HG23  THR  15          HG23      THR  15  -4.230   1.323  -7.514
  124    H    VAL  16           H        VAL  16  -6.160   3.767  -7.675
  125    HA   VAL  16           HA       VAL  16  -8.535   2.139  -8.336
  126    HB   VAL  16           HB       VAL  16  -7.439   4.749  -9.414
  127   HG11  VAL  16          HG11      VAL  16  -9.563   4.976 -10.654
  128   HG12  VAL  16          HG12      VAL  16  -8.586   3.647 -11.272
  129   HG13  VAL  16          HG13      VAL  16  -9.990   3.303 -10.233
  130   HG21  VAL  16          HG21      VAL  16  -9.956   4.104  -7.809
  131   HG22  VAL  16          HG22      VAL  16  -8.499   4.871  -7.161
  132   HG23  VAL  16          HG23      VAL  16  -9.465   5.706  -8.384
  133    H    TYR  17           H        TYR  17  -8.829   1.002 -10.169
  134    HA   TYR  17           HA       TYR  17  -6.742   0.698 -12.204
  135    HB2  TYR  17           HB2      TYR  17  -6.424  -1.647 -11.913
  136    HB3  TYR  17           HB3      TYR  17  -6.056  -0.862 -10.407
  137    HD1  TYR  17           HD1      TYR  17  -7.597  -1.116  -8.436
  138    HD2  TYR  17           HD2      TYR  17  -8.181  -3.321 -12.099
  139    HE1  TYR  17           HE1      TYR  17  -8.879  -2.864  -7.197
  140    HE2  TYR  17           HE2      TYR  17  -9.500  -5.023 -10.879
  141    HH   TYR  17           HH       TYR  17 -10.100  -5.803  -8.801
  142    H    TYR  18           H        TYR  18  -7.576  -1.251 -13.708
  143    HA   TYR  18           HA       TYR  18 -10.477  -0.821 -14.296
  144    HB2  TYR  18           HB2      TYR  18  -8.181  -1.073 -16.273
  145    HB3  TYR  18           HB3      TYR  18  -9.894  -0.839 -16.656
  146    HD1  TYR  18           HD1      TYR  18 -10.958   1.343 -16.398
  147    HD2  TYR  18           HD2      TYR  18  -6.819   0.784 -15.349
  148    HE1  TYR  18           HE1      TYR  18 -10.673   3.807 -16.223
  149    HE2  TYR  18           HE2      TYR  18  -6.527   3.248 -15.181
  150    HH   TYR  18           HH       TYR  18  -7.547   5.287 -15.318
  151    H    PHE  19           H        PHE  19 -11.658  -2.609 -14.734
  152    HA   PHE  19           HA       PHE  19 -10.296  -5.271 -14.905
  153    HB2  PHE  19           HB2      PHE  19 -10.984  -5.091 -12.659
  154    HB3  PHE  19           HB3      PHE  19 -12.528  -4.356 -13.075
  155    HD1  PHE  19           HD1      PHE  19 -14.429  -5.750 -13.917
  156    HD2  PHE  19           HD2      PHE  19 -10.643  -7.516 -12.823
  157    HE1  PHE  19           HE1      PHE  19 -15.499  -7.977 -13.784
  158    HE2  PHE  19           HE2      PHE  19 -11.712  -9.750 -12.753
  159    HZ   PHE  19           HZ       PHE  19 -14.144  -9.989 -13.226
  160    H    ASN  20           H        ASN  20 -11.139  -6.727 -16.290
  161    HA   ASN  20           HA       ASN  20 -13.328  -5.802 -18.076
  162    HB2  ASN  20           HB2      ASN  20 -11.084  -6.254 -19.045
  163    HB3  ASN  20           HB3      ASN  20 -11.238  -7.944 -18.547
  164   HD21  ASN  20          HD21      ASN  20 -11.328  -6.219 -21.235
  165   HD22  ASN  20          HD22      ASN  20 -12.642  -7.015 -22.092
  166    H    HIS  21           H        HIS  21 -15.283  -6.646 -17.760
  167    HA   HIS  21           HA       HIS  21 -15.634  -8.873 -15.906
  168    HB2  HIS  21           HB2      HIS  21 -17.788  -8.192 -15.702
  169    HB3  HIS  21           HB3      HIS  21 -17.030  -6.674 -16.168
  170    HD2  HIS  21           HD2      HIS  21 -17.804  -5.580 -18.496
  171    HE1  HIS  21           HE1      HIS  21 -20.696  -8.509 -19.604
  172    HE2  HIS  21           HE2      HIS  21 -19.760  -6.203 -20.143
  173    H    ILE  22           H        ILE  22 -15.330  -8.708 -19.303
  174    HA   ILE  22           HA       ILE  22 -16.884 -11.153 -19.877
  175    HB   ILE  22           HB       ILE  22 -15.183  -9.382 -21.680
  176   HG12  ILE  22          HG12      ILE  22 -18.206  -9.445 -21.205
  177   HG13  ILE  22          HG13      ILE  22 -17.095  -8.153 -20.713
  178   HG21  ILE  22          HG21      ILE  22 -17.206 -11.551 -22.402
  179   HG22  ILE  22          HG22      ILE  22 -16.340 -10.506 -23.551
  180   HG23  ILE  22          HG23      ILE  22 -15.442 -11.669 -22.597
  181   HD11  ILE  22          HD11      ILE  22 -17.920  -8.848 -23.540
  182   HD12  ILE  22          HD12      ILE  22 -18.222  -7.365 -22.619
  183   HD13  ILE  22          HD13      ILE  22 -16.571  -7.753 -23.144
  184    H    THR  23           H        THR  23 -13.487 -10.091 -19.768
  185    HA   THR  23           HA       THR  23 -12.531 -12.857 -20.322
  186    HB   THR  23           HB       THR  23 -10.418 -11.840 -20.873
  187    HG1  THR  23           HG1      THR  23 -10.516  -9.438 -20.863
  188   HG21  THR  23          HG21      THR  23 -12.569 -10.045 -22.085
  189   HG22  THR  23          HG22      THR  23 -10.989 -10.469 -22.769
  190   HG23  THR  23          HG23      THR  23 -12.244 -11.712 -22.618
  191    H    ASN  24           H        ASN  24 -13.019 -10.917 -17.603
  192    HA   ASN  24           HA       ASN  24 -12.350 -10.866 -15.494
  193    HB2  ASN  24           HB2      ASN  24 -12.794 -13.440 -15.908
  194    HB3  ASN  24           HB3      ASN  24 -11.055 -13.576 -15.598
  195   HD21  ASN  24          HD21      ASN  24 -10.416 -12.197 -13.502
  196   HD22  ASN  24          HD22      ASN  24 -11.486 -12.513 -12.121
  197    H    ALA  25           H        ALA  25 -10.423 -10.046 -17.710
  198    HA   ALA  25           HA       ALA  25  -7.788 -10.169 -16.444
  199    HB1  ALA  25           HB1      ALA  25  -8.810  -8.503 -18.782
  200    HB2  ALA  25           HB2      ALA  25  -7.113  -8.756 -18.327
  201    HB3  ALA  25           HB3      ALA  25  -8.084 -10.123 -18.906
  202    H    SER  26           H        SER  26  -6.576  -8.201 -15.847
  203    HA   SER  26           HA       SER  26  -8.073  -5.760 -15.327
  204    HB2  SER  26           HB2      SER  26  -7.434  -5.535 -12.971
  205    HB3  SER  26           HB3      SER  26  -8.533  -6.890 -13.228
  206    HG   SER  26           HG       SER  26  -6.784  -8.298 -13.088
  207    H    GLN  27           H        GLN  27  -6.806  -3.919 -15.025
  208    HA   GLN  27           HA       GLN  27  -3.883  -4.120 -15.026
  209    HB2  GLN  27           HB2      GLN  27  -3.498  -2.970 -17.074
  210    HB3  GLN  27           HB3      GLN  27  -4.512  -4.371 -17.423
  211    HG2  GLN  27           HG2      GLN  27  -6.494  -2.926 -17.629
  212    HG3  GLN  27           HG3      GLN  27  -5.543  -1.518 -17.174
  213   HE21  GLN  27          HE21      GLN  27  -5.016  -0.286 -18.915
  214   HE22  GLN  27          HE22      GLN  27  -4.579  -0.932 -20.509
  215    H    PHE  28           H        PHE  28  -2.820  -2.135 -14.490
  216    HA   PHE  28           HA       PHE  28  -4.422  -0.444 -12.752
  217    HB2  PHE  28           HB2      PHE  28  -2.306  -1.195 -11.992
  218    HB3  PHE  28           HB3      PHE  28  -1.492  -0.672 -13.474
  219    HD1  PHE  28           HD1      PHE  28  -0.703   1.539 -13.776
  220    HD2  PHE  28           HD2      PHE  28  -3.133   0.568 -10.354
  221    HE1  PHE  28           HE1      PHE  28  -0.161   3.750 -12.770
  222    HE2  PHE  28           HE2      PHE  28  -2.584   2.773  -9.337
  223    HZ   PHE  28           HZ       PHE  28  -1.097   4.363 -10.537
  224    H    GLU  29           H        GLU  29  -2.839   0.042 -15.908
  225    HA   GLU  29           HA       GLU  29  -3.427   2.937 -15.855
  226    HB2  GLU  29           HB2      GLU  29  -2.034   3.110 -17.781
  227    HB3  GLU  29           HB3      GLU  29  -1.211   2.159 -16.541
  228    HG2  GLU  29           HG2      GLU  29  -1.928   0.062 -17.772
  229    HG3  GLU  29           HG3      GLU  29  -2.585   1.087 -19.051
  230    H    ARG  30           H        ARG  30  -4.411   4.020 -17.681
  231    HA   ARG  30           HA       ARG  30  -7.039   3.210 -18.135
  232    HB2  ARG  30           HB2      ARG  30  -6.380   5.509 -18.225
  233    HB3  ARG  30           HB3      ARG  30  -5.233   5.203 -19.528
  234    HG2  ARG  30           HG2      ARG  30  -7.126   6.366 -20.427
  235    HG3  ARG  30           HG3      ARG  30  -7.072   4.733 -21.090
  236    HD2  ARG  30           HD2      ARG  30  -8.764   4.350 -18.955
  237    HD3  ARG  30           HD3      ARG  30  -9.070   6.047 -19.294
  238    HE   ARG  30           HE       ARG  30  -9.184   3.908 -21.414
  239   HH11  ARG  30          HH11      ARG  30 -10.754   3.972 -22.884
  240   HH12  ARG  30          HH12      ARG  30 -12.141   5.032 -22.647
  241   HH21  ARG  30          HH21      ARG  30 -10.906   6.588 -19.887
  242   HH22  ARG  30          HH22      ARG  30 -12.185   6.483 -21.080
  243    HA   PRO  31           HA       PRO  31  -6.401   0.359 -21.614
  244    HB2  PRO  31           HB2      PRO  31  -8.861  -0.782 -21.735
  245    HB3  PRO  31           HB3      PRO  31  -7.724  -1.121 -20.395
  246    HG2  PRO  31           HG2      PRO  31 -10.002   0.887 -20.425
  247    HG3  PRO  31           HG3      PRO  31  -9.646  -0.364 -19.187
  248    HD2  PRO  31           HD2      PRO  31  -8.834   2.228 -18.924
  249    HD3  PRO  31           HD3      PRO  31  -7.826   0.865 -18.344
  250    H    SER  32           H        SER  32  -6.918   0.300 -23.834
  251    HA   SER  32           HA       SER  32  -9.020   1.924 -24.993
  252    HB2  SER  32           HB2      SER  32  -7.537   3.307 -26.359
  253    HB3  SER  32           HB3      SER  32  -7.273   3.628 -24.632
  254    HG   SER  32           HG       SER  32  -5.308   3.417 -25.768
  255    H    GLY  33           H        GLY  33  -9.117   1.630 -27.276
  256    HA2  GLY  33           HA2      GLY  33  -9.070   0.470 -29.294
  257    HA3  GLY  33           HA3      GLY  33  -7.565  -0.294 -28.787
  258    H1   4N2 101           H1       4N2  34  -4.021  -1.047  -3.639
  259    H2   4N2 101           H2       4N2  34  -3.861  -3.394  -2.994
  260    H3   4N2 101           H3       4N2  34  -1.700  -4.139  -4.133
  261    H4   4N2 101           H4       4N2  34  -0.332  -2.323  -5.236
  262    H5   4N2 101           H5       4N2  34  -1.971  -0.513  -5.102
  263    H62  4N2 101           H62      4N2  34   0.342   0.414  -3.358
  264    H61  4N2 101           H61      4N2  34   0.537   0.082  -5.080
  265    HO2  4N2 101           H2O      4N2  34  -2.311  -4.229  -1.632
  266    HO3  4N2 101           H3O      4N2  34  -3.558  -3.640  -5.417
  267    HO4  4N2 101           H4O      4N2  34  -0.373  -2.484  -2.372
  268    HO6  4N2 101           H6O      4N2  34  -1.630   1.744  -4.332
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -17.004   4.820 -23.556
    2    H2   LYS   1           H2       LYS   1 -15.976   5.816 -24.350
    3    H3   LYS   1           H3       LYS   1 -17.161   6.443 -23.421
    4    HA   LYS   1           HA       LYS   1 -15.044   6.651 -22.348
    5    HB2  LYS   1           HB2      LYS   1 -15.572   5.482 -20.170
    6    HB3  LYS   1           HB3      LYS   1 -16.707   6.677 -20.769
    7    HG2  LYS   1           HG2      LYS   1 -18.286   4.998 -21.481
    8    HG3  LYS   1           HG3      LYS   1 -17.174   3.678 -21.116
    9    HD2  LYS   1           HD2      LYS   1 -18.247   5.618 -19.023
   10    HD3  LYS   1           HD3      LYS   1 -19.000   4.070 -19.432
   11    HE2  LYS   1           HE2      LYS   1 -16.897   2.878 -18.835
   12    HE3  LYS   1           HE3      LYS   1 -16.166   4.416 -18.347
   13    HZ1  LYS   1           HZ1      LYS   1 -18.611   3.251 -17.131
   14    HZ2  LYS   1           HZ2      LYS   1 -17.136   3.152 -16.475
   15    HZ3  LYS   1           HZ3      LYS   1 -17.860   4.621 -16.634
   16    H    LEU   2           H        LEU   2 -15.633   3.171 -21.746
   17    HA   LEU   2           HA       LEU   2 -12.742   2.661 -22.191
   18    HB2  LEU   2           HB2      LEU   2 -14.841   1.765 -20.255
   19    HB3  LEU   2           HB3      LEU   2 -13.760   0.518 -20.790
   20    HG   LEU   2           HG       LEU   2 -11.856   1.500 -19.870
   21   HD11  LEU   2          HD11      LEU   2 -11.718   3.674 -18.793
   22   HD12  LEU   2          HD12      LEU   2 -12.020   3.829 -20.522
   23   HD13  LEU   2          HD13      LEU   2 -13.359   4.086 -19.363
   24   HD21  LEU   2          HD21      LEU   2 -14.259   1.963 -18.057
   25   HD22  LEU   2          HD22      LEU   2 -13.214   0.523 -18.178
   26   HD23  LEU   2          HD23      LEU   2 -12.598   2.022 -17.479
   27    HA   PRO   3           HA       PRO   3 -13.580  -0.203 -25.450
   28    HB2  PRO   3           HB2      PRO   3 -11.587  -2.077 -25.161
   29    HB3  PRO   3           HB3      PRO   3 -11.311  -0.393 -25.701
   30    HG2  PRO   3           HG2      PRO   3 -10.912  -1.571 -22.957
   31    HG3  PRO   3           HG3      PRO   3  -9.863  -0.441 -23.841
   32    HD2  PRO   3           HD2      PRO   3 -11.711   0.267 -21.894
   33    HD3  PRO   3           HD3      PRO   3 -11.163   1.392 -23.168
   34    HA   PRO   4           HA       PRO   4 -16.387  -3.239 -24.522
   35    HB2  PRO   4           HB2      PRO   4 -14.743  -5.395 -25.875
   36    HB3  PRO   4           HB3      PRO   4 -16.507  -5.077 -26.000
   37    HG2  PRO   4           HG2      PRO   4 -14.873  -4.118 -27.911
   38    HG3  PRO   4           HG3      PRO   4 -16.118  -3.031 -27.202
   39    HD2  PRO   4           HD2      PRO   4 -13.165  -3.193 -26.548
   40    HD3  PRO   4           HD3      PRO   4 -14.189  -1.748 -26.822
   41    H    GLY   5           H        GLY   5 -16.966  -4.030 -22.675
   42    HA2  GLY   5           HA2      GLY   5 -17.161  -5.398 -20.837
   43    HA3  GLY   5           HA3      GLY   5 -15.732  -6.305 -21.355
   44    H    TRP   6           H        TRP   6 -14.523  -3.221 -21.236
   45    HA   TRP   6           HA       TRP   6 -13.388  -3.640 -18.554
   46    HB2  TRP   6           HB2      TRP   6 -12.827  -1.611 -20.716
   47    HB3  TRP   6           HB3      TRP   6 -12.044  -1.612 -19.139
   48    HD1  TRP   6           HD1      TRP   6 -12.174  -3.550 -22.413
   49    HE1  TRP   6           HE1      TRP   6 -10.063  -4.988 -22.657
   50    HE3  TRP   6           HE3      TRP   6 -10.226  -2.955 -17.706
   51    HZ2  TRP   6           HZ2      TRP   6  -7.892  -5.878 -21.000
   52    HZ3  TRP   6           HZ3      TRP   6  -8.099  -4.114 -17.085
   53    HH2  TRP   6           HH2      TRP   6  -6.950  -5.582 -18.705
   54    H    GLU   7           H        GLU   7 -13.624  -2.425 -16.777
   55    HA   GLU   7           HA       GLU   7 -15.138   0.106 -16.803
   56    HB2  GLU   7           HB2      GLU   7 -16.783  -1.711 -16.394
   57    HB3  GLU   7           HB3      GLU   7 -15.832  -2.265 -15.022
   58    HG2  GLU   7           HG2      GLU   7 -17.817  -0.995 -14.343
   59    HG3  GLU   7           HG3      GLU   7 -16.341  -0.235 -13.784
   60    H    LYS   8           H        LYS   8 -14.715   1.428 -14.903
   61    HA   LYS   8           HA       LYS   8 -12.042   1.109 -13.733
   62    HB2  LYS   8           HB2      LYS   8 -14.233   3.184 -13.492
   63    HB3  LYS   8           HB3      LYS   8 -12.867   3.158 -12.360
   64    HG2  LYS   8           HG2      LYS   8 -11.252   3.324 -14.146
   65    HG3  LYS   8           HG3      LYS   8 -12.523   3.141 -15.368
   66    HD2  LYS   8           HD2      LYS   8 -11.911   5.457 -15.305
   67    HD3  LYS   8           HD3      LYS   8 -13.518   5.324 -14.572
   68    HE2  LYS   8           HE2      LYS   8 -12.469   5.370 -12.308
   69    HE3  LYS   8           HE3      LYS   8 -10.867   5.467 -13.058
   70    HZ1  LYS   8           HZ1      LYS   8 -11.678   7.661 -12.405
   71    HZ2  LYS   8           HZ2      LYS   8 -11.524   7.599 -14.028
   72    HZ3  LYS   8           HZ3      LYS   8 -13.005   7.511 -13.342
   73    H    ARG   9           H        ARG   9 -11.536   0.503 -11.774
   74    HA   ARG   9           HA       ARG   9 -13.585  -0.242  -9.722
   75    HB2  ARG   9           HB2      ARG   9 -13.138  -2.168 -11.287
   76    HB3  ARG   9           HB3      ARG   9 -11.458  -2.179 -10.749
   77    HG2  ARG   9           HG2      ARG   9 -12.119  -2.822  -8.504
   78    HG3  ARG   9           HG3      ARG   9 -13.840  -2.520  -8.868
   79    HD2  ARG   9           HD2      ARG   9 -13.866  -4.335 -10.502
   80    HD3  ARG   9           HD3      ARG   9 -12.125  -4.613 -10.269
   81    HE   ARG   9           HE       ARG   9 -13.407  -4.824  -7.740
   82   HH11  ARG   9          HH11      ARG   9 -13.283  -6.672 -10.731
   83   HH12  ARG   9          HH12      ARG   9 -13.584  -8.172  -9.901
   84   HH21  ARG   9          HH21      ARG   9 -13.808  -6.772  -6.775
   85   HH22  ARG   9          HH22      ARG   9 -13.877  -8.225  -7.736
   86    H    MET  10           H        MET  10 -12.801  -0.389  -7.576
   87    HA   MET  10           HA       MET  10 -10.155   0.909  -7.132
   88    HB2  MET  10           HB2      MET  10 -12.282   2.105  -6.435
   89    HB3  MET  10           HB3      MET  10 -12.435   0.873  -5.163
   90    HG2  MET  10           HG2      MET  10 -10.140   1.540  -4.354
   91    HG3  MET  10           HG3      MET  10 -10.085   2.760  -5.621
   92    HE1  MET  10           HE1      MET  10 -12.950   1.636  -3.015
   93    HE2  MET  10           HE2      MET  10 -11.392   1.688  -2.158
   94    HE3  MET  10           HE3      MET  10 -12.660   2.874  -1.778
   95    H    PHE  11           H        PHE  11  -8.612   0.054  -5.842
   96    HA   PHE  11           HA       PHE  11  -8.844  -2.695  -4.815
   97    HB2  PHE  11           HB2      PHE  11  -6.658  -0.581  -4.714
   98    HB3  PHE  11           HB3      PHE  11  -6.504  -2.156  -3.961
   99    HD1  PHE  11           HD1      PHE  11  -5.560  -0.375  -6.787
  100    HD2  PHE  11           HD2      PHE  11  -7.119  -4.225  -5.627
  101    HE1  PHE  11           HE1      PHE  11  -4.537  -1.395  -8.801
  102    HE2  PHE  11           HE2      PHE  11  -6.132  -5.232  -7.669
  103    HZ   PHE  11           HZ       PHE  11  -4.838  -3.823  -9.257
  104    H    ALA  12           H        ALA  12  -8.367  -3.221  -2.550
  105    HA   ALA  12           HA       ALA  12 -10.003  -1.857  -0.684
  106    HB1  ALA  12           HB1      ALA  12  -7.742  -3.853  -0.222
  107    HB2  ALA  12           HB2      ALA  12  -9.036  -3.454   0.928
  108    HB3  ALA  12           HB3      ALA  12  -9.434  -4.257  -0.601
  109    H    ASN  13           H        ASN  13  -6.734  -1.124  -1.566
  110    HA   ASN  13           HA       ASN  13  -6.163   0.473   0.845
  111    HB2  ASN  13           HB2      ASN  13  -3.992   0.885  -0.235
  112    HB3  ASN  13           HB3      ASN  13  -4.381  -0.838  -0.130
  113   HD21  ASN  13          HD21      ASN  13  -2.859  -1.292  -1.765
  114    H    GLY  14           H        GLY  14  -8.129   1.086  -1.759
  115    HA2  GLY  14           HA2      GLY  14  -9.224   3.085  -2.203
  116    HA3  GLY  14           HA3      GLY  14  -7.965   4.006  -1.365
  117    H    THR  15           H        THR  15  -6.634   1.833  -3.692
  118    HA   THR  15           HA       THR  15  -6.058   4.092  -5.541
  119    HB   THR  15           HB       THR  15  -4.910   1.282  -5.516
  120    HG1  THR  15           HG1      THR  15  -4.259   2.150  -3.727
  121   HG21  THR  15          HG21      THR  15  -4.555   2.328  -7.690
  122   HG22  THR  15          HG22      THR  15  -4.005   3.835  -6.914
  123   HG23  THR  15          HG23      THR  15  -3.040   2.348  -6.784
  124    H    VAL  16           H        VAL  16  -6.756   4.200  -7.669
  125    HA   VAL  16           HA       VAL  16  -8.893   2.306  -8.443
  126    HB   VAL  16           HB       VAL  16  -8.143   5.062  -9.441
  127   HG11  VAL  16          HG11      VAL  16  -9.047   3.844 -11.349
  128   HG12  VAL  16          HG12      VAL  16 -10.402   3.239 -10.363
  129   HG13  VAL  16          HG13      VAL  16 -10.258   4.972 -10.736
  130   HG21  VAL  16          HG21      VAL  16  -9.273   4.999  -7.229
  131   HG22  VAL  16          HG22      VAL  16 -10.335   5.674  -8.466
  132   HG23  VAL  16          HG23      VAL  16 -10.571   4.001  -7.918
  133    H    TYR  17           H        TYR  17  -8.941   1.113 -10.216
  134    HA   TYR  17           HA       TYR  17  -6.762   1.085 -12.203
  135    HB2  TYR  17           HB2      TYR  17  -6.246  -1.197 -11.882
  136    HB3  TYR  17           HB3      TYR  17  -6.126  -0.442 -10.319
  137    HD1  TYR  17           HD1      TYR  17  -8.045  -0.806  -8.624
  138    HD2  TYR  17           HD2      TYR  17  -7.623  -3.101 -12.254
  139    HE1  TYR  17           HE1      TYR  17  -9.376  -2.665  -7.623
  140    HE2  TYR  17           HE2      TYR  17  -8.994  -4.920 -11.262
  141    HH   TYR  17           HH       TYR  17  -9.902  -5.740  -9.322
  142    H    TYR  18           H        TYR  18  -7.407  -0.950 -13.745
  143    HA   TYR  18           HA       TYR  18 -10.271  -0.583 -14.524
  144    HB2  TYR  18           HB2      TYR  18  -7.825  -0.880 -16.304
  145    HB3  TYR  18           HB3      TYR  18  -9.506  -0.755 -16.845
  146    HD1  TYR  18           HD1      TYR  18 -10.625   1.385 -16.982
  147    HD2  TYR  18           HD2      TYR  18  -6.718   1.091 -15.187
  148    HE1  TYR  18           HE1      TYR  18 -10.550   3.849 -16.735
  149    HE2  TYR  18           HE2      TYR  18  -6.629   3.566 -14.965
  150    HH   TYR  18           HH       TYR  18  -7.754   5.533 -15.276
  151    H    PHE  19           H        PHE  19 -11.449  -2.364 -14.830
  152    HA   PHE  19           HA       PHE  19 -10.145  -5.055 -14.892
  153    HB2  PHE  19           HB2      PHE  19 -10.736  -4.786 -12.634
  154    HB3  PHE  19           HB3      PHE  19 -12.252  -3.980 -13.007
  155    HD1  PHE  19           HD1      PHE  19 -10.513  -7.272 -12.942
  156    HD2  PHE  19           HD2      PHE  19 -14.291  -5.247 -13.466
  157    HE1  PHE  19           HE1      PHE  19 -11.705  -9.437 -12.747
  158    HE2  PHE  19           HE2      PHE  19 -15.474  -7.409 -13.240
  159    HZ   PHE  19           HZ       PHE  19 -14.187  -9.514 -12.905
  160    H    ASN  20           H        ASN  20 -11.089  -6.551 -16.183
  161    HA   ASN  20           HA       ASN  20 -13.364  -5.644 -17.862
  162    HB2  ASN  20           HB2      ASN  20 -11.182  -6.256 -18.940
  163    HB3  ASN  20           HB3      ASN  20 -11.446  -7.922 -18.398
  164   HD21  ASN  20          HD21      ASN  20 -13.246  -6.655 -21.753
  165   HD22  ASN  20          HD22      ASN  20 -11.884  -5.852 -20.984
  166    H    HIS  21           H        HIS  21 -15.331  -6.377 -17.369
  167    HA   HIS  21           HA       HIS  21 -15.603  -8.550 -15.424
  168    HB2  HIS  21           HB2      HIS  21 -17.695  -7.780 -15.010
  169    HB3  HIS  21           HB3      HIS  21 -16.899  -6.298 -15.532
  170    HD2  HIS  21           HD2      HIS  21 -17.679  -5.269 -17.945
  171    HE1  HIS  21           HE1      HIS  21 -21.096  -7.764 -18.463
  172    HE2  HIS  21           HE2      HIS  21 -19.895  -5.682 -19.304
  173    H    ILE  22           H        ILE  22 -15.499  -8.521 -18.802
  174    HA   ILE  22           HA       ILE  22 -17.198 -10.910 -19.203
  175    HB   ILE  22           HB       ILE  22 -15.454  -9.347 -21.143
  176   HG12  ILE  22          HG12      ILE  22 -17.269  -7.918 -20.258
  177   HG13  ILE  22          HG13      ILE  22 -17.430  -8.257 -21.977
  178   HG21  ILE  22          HG21      ILE  22 -17.507 -11.523 -21.648
  179   HG22  ILE  22          HG22      ILE  22 -16.839 -10.456 -22.904
  180   HG23  ILE  22          HG23      ILE  22 -15.773 -11.549 -22.021
  181   HD11  ILE  22          HD11      ILE  22 -19.032  -9.609 -19.762
  182   HD12  ILE  22          HD12      ILE  22 -19.595  -8.316 -20.838
  183   HD13  ILE  22          HD13      ILE  22 -19.215  -9.907 -21.509
  184    H    THR  23           H        THR  23 -13.747 -10.006 -19.250
  185    HA   THR  23           HA       THR  23 -12.962 -12.862 -19.624
  186    HB   THR  23           HB       THR  23 -10.859 -12.010 -20.453
  187    HG1  THR  23           HG1      THR  23 -10.760  -9.684 -20.731
  188   HG21  THR  23          HG21      THR  23 -11.566 -10.898 -22.472
  189   HG22  THR  23          HG22      THR  23 -12.803 -12.091 -22.044
  190   HG23  THR  23          HG23      THR  23 -13.088 -10.364 -21.728
  191    H    ASN  24           H        ASN  24 -13.117 -10.652 -17.087
  192    HA   ASN  24           HA       ASN  24 -12.268 -10.442 -15.060
  193    HB2  ASN  24           HB2      ASN  24 -11.296 -13.302 -15.267
  194    HB3  ASN  24           HB3      ASN  24 -11.530 -12.361 -13.787
  195   HD21  ASN  24          HD21      ASN  24 -12.994 -14.647 -15.750
  196   HD22  ASN  24          HD22      ASN  24 -14.656 -14.375 -15.213
  197    H    ALA  25           H        ALA  25 -10.470  -9.925 -17.493
  198    HA   ALA  25           HA       ALA  25  -7.765  -9.973 -16.428
  199    HB1  ALA  25           HB1      ALA  25  -7.265  -8.573 -18.385
  200    HB2  ALA  25           HB2      ALA  25  -8.265  -9.962 -18.852
  201    HB3  ALA  25           HB3      ALA  25  -8.997  -8.347 -18.695
  202    H    SER  26           H        SER  26  -6.501  -8.048 -15.853
  203    HA   SER  26           HA       SER  26  -7.912  -5.568 -15.274
  204    HB2  SER  26           HB2      SER  26  -7.192  -5.403 -12.923
  205    HB3  SER  26           HB3      SER  26  -8.386  -6.672 -13.181
  206    HG   SER  26           HG       SER  26  -6.732  -8.200 -13.098
  207    H    GLN  27           H        GLN  27  -6.611  -3.769 -14.965
  208    HA   GLN  27           HA       GLN  27  -3.707  -3.988 -14.850
  209    HB2  GLN  27           HB2      GLN  27  -3.204  -2.901 -16.918
  210    HB3  GLN  27           HB3      GLN  27  -4.193  -4.323 -17.268
  211    HG2  GLN  27           HG2      GLN  27  -6.162  -2.914 -17.648
  212    HG3  GLN  27           HG3      GLN  27  -5.259  -1.481 -17.180
  213   HE21  GLN  27          HE21      GLN  27  -4.695  -0.297 -18.950
  214   HE22  GLN  27          HE22      GLN  27  -4.136  -0.991 -20.488
  215    H    PHE  28           H        PHE  28  -2.653  -1.906 -14.442
  216    HA   PHE  28           HA       PHE  28  -4.311  -0.237 -12.743
  217    HB2  PHE  28           HB2      PHE  28  -2.177  -0.882 -11.961
  218    HB3  PHE  28           HB3      PHE  28  -1.378  -0.374 -13.457
  219    HD1  PHE  28           HD1      PHE  28  -3.130   0.927 -10.407
  220    HD2  PHE  28           HD2      PHE  28  -0.609   1.825 -13.785
  221    HE1  PHE  28           HE1      PHE  28  -2.655   3.178  -9.455
  222    HE2  PHE  28           HE2      PHE  28  -0.139   4.082 -12.839
  223    HZ   PHE  28           HZ       PHE  28  -1.160   4.756 -10.667
  224    H    GLU  29           H        GLU  29  -2.740   0.277 -15.903
  225    HA   GLU  29           HA       GLU  29  -3.565   3.121 -15.935
  226    HB2  GLU  29           HB2      GLU  29  -2.174   3.365 -17.849
  227    HB3  GLU  29           HB3      GLU  29  -1.281   2.512 -16.588
  228    HG2  GLU  29           HG2      GLU  29  -1.830   0.336 -17.780
  229    HG3  GLU  29           HG3      GLU  29  -2.533   1.289 -19.091
  230    H    ARG  30           H        ARG  30  -4.694   4.064 -17.763
  231    HA   ARG  30           HA       ARG  30  -7.164   2.772 -18.199
  232    HB2  ARG  30           HB2      ARG  30  -6.913   5.149 -18.035
  233    HB3  ARG  30           HB3      ARG  30  -5.940   5.234 -19.495
  234    HG2  ARG  30           HG2      ARG  30  -8.706   4.030 -19.683
  235    HG3  ARG  30           HG3      ARG  30  -8.573   5.780 -19.445
  236    HD2  ARG  30           HD2      ARG  30  -7.724   6.187 -21.525
  237    HD3  ARG  30           HD3      ARG  30  -6.788   4.700 -21.567
  238    HE   ARG  30           HE       ARG  30  -8.471   3.589 -22.607
  239   HH11  ARG  30          HH11      ARG  30 -10.013   6.476 -21.296
  240   HH12  ARG  30          HH12      ARG  30 -11.481   6.149 -22.196
  241   HH21  ARG  30          HH21      ARG  30 -11.646   4.470 -23.495
  242   HH22  ARG  30          HH22      ARG  30 -10.285   3.398 -23.804
  243    HA   PRO  31           HA       PRO  31  -5.920   0.175 -21.592
  244    HB2  PRO  31           HB2      PRO  31  -8.214  -1.240 -22.034
  245    HB3  PRO  31           HB3      PRO  31  -7.227  -1.434 -20.554
  246    HG2  PRO  31           HG2      PRO  31  -9.698   0.282 -20.926
  247    HG3  PRO  31           HG3      PRO  31  -9.344  -0.874 -19.602
  248    HD2  PRO  31           HD2      PRO  31  -8.914   1.801 -19.350
  249    HD3  PRO  31           HD3      PRO  31  -7.806   0.603 -18.614
  250    H    SER  32           H        SER  32  -5.812   0.228 -23.752
  251    HA   SER  32           HA       SER  32  -5.881   0.929 -25.840
  252    HB2  SER  32           HB2      SER  32  -7.876   1.184 -27.077
  253    HB3  SER  32           HB3      SER  32  -8.130  -0.108 -25.881
  254    HG   SER  32           HG       SER  32  -9.010   1.638 -24.539
  255    H    GLY  33           H        GLY  33  -5.723   2.664 -27.221
  256    HA2  GLY  33           HA2      GLY  33  -6.516   5.362 -26.762
  257    HA3  GLY  33           HA3      GLY  33  -4.903   5.147 -26.077
  258    H1   4N2 101           H1       4N2  34  -3.995  -1.134  -4.455
  259    H2   4N2 101           H2       4N2  34  -3.177  -3.326  -3.782
  260    H3   4N2 101           H3       4N2  34  -0.817  -3.207  -5.329
  261    H4   4N2 101           H4       4N2  34  -2.767  -1.328  -6.689
  262    H5   4N2 101           H5       4N2  34  -1.561   0.593  -6.145
  263    H62  4N2 101           H62      4N2  34   0.767  -0.201  -6.020
  264    H61  4N2 101           H61      4N2  34   0.328   0.820  -4.657
  265    HO2  4N2 101           H2O      4N2  34  -0.594  -2.199  -3.255
  266    HO3  4N2 101           H3O      4N2  34  -2.095  -4.224  -6.812
  267    HO4  4N2 101           H4O      4N2  34  -1.324  -2.264  -8.113
  268    HO6  4N2 101           H6O      4N2  34   1.509  -1.063  -4.017
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1 -16.444   5.773 -23.895
    2    H2   LYS   1           H2       LYS   1 -16.050   4.794 -22.653
    3    H3   LYS   1           H3       LYS   1 -16.066   4.214 -24.189
    4    HA   LYS   1           HA       LYS   1 -14.310   5.702 -24.842
    5    HB2  LYS   1           HB2      LYS   1 -13.051   7.011 -23.334
    6    HB3  LYS   1           HB3      LYS   1 -14.745   7.450 -23.192
    7    HG2  LYS   1           HG2      LYS   1 -14.878   6.079 -21.075
    8    HG3  LYS   1           HG3      LYS   1 -13.131   5.770 -21.223
    9    HD2  LYS   1           HD2      LYS   1 -12.688   8.206 -21.137
   10    HD3  LYS   1           HD3      LYS   1 -14.432   8.513 -20.971
   11    HE2  LYS   1           HE2      LYS   1 -14.455   7.166 -18.875
   12    HE3  LYS   1           HE3      LYS   1 -12.715   6.889 -19.036
   13    HZ1  LYS   1           HZ1      LYS   1 -13.190   8.753 -17.546
   14    HZ2  LYS   1           HZ2      LYS   1 -12.388   9.300 -18.858
   15    HZ3  LYS   1           HZ3      LYS   1 -13.996   9.553 -18.715
   16    H    LEU   2           H        LEU   2 -14.275   3.531 -21.928
   17    HA   LEU   2           HA       LEU   2 -11.731   2.364 -22.653
   18    HB2  LEU   2           HB2      LEU   2 -13.973   1.085 -21.038
   19    HB3  LEU   2           HB3      LEU   2 -12.298   0.604 -21.126
   20    HG   LEU   2           HG       LEU   2 -12.409   1.480 -19.069
   21   HD11  LEU   2          HD11      LEU   2 -11.064   3.434 -18.958
   22   HD12  LEU   2          HD12      LEU   2 -10.547   2.509 -20.377
   23   HD13  LEU   2          HD13      LEU   2 -11.549   3.961 -20.588
   24   HD21  LEU   2          HD21      LEU   2 -13.985   3.906 -19.976
   25   HD22  LEU   2          HD22      LEU   2 -14.650   2.458 -19.182
   26   HD23  LEU   2          HD23      LEU   2 -13.494   3.490 -18.327
   27    HA   PRO   3           HA       PRO   3 -13.159  -0.602 -25.752
   28    HB2  PRO   3           HB2      PRO   3 -11.577  -2.781 -24.476
   29    HB3  PRO   3           HB3      PRO   3 -11.450  -2.102 -26.122
   30    HG2  PRO   3           HG2      PRO   3  -9.573  -1.580 -24.197
   31    HG3  PRO   3           HG3      PRO   3 -10.063  -0.367 -25.418
   32    HD2  PRO   3           HD2      PRO   3 -10.993  -0.615 -22.556
   33    HD3  PRO   3           HD3      PRO   3 -10.486   0.843 -23.464
   34    HA   PRO   4           HA       PRO   4 -16.477  -3.109 -24.288
   35    HB2  PRO   4           HB2      PRO   4 -15.226  -5.560 -25.553
   36    HB3  PRO   4           HB3      PRO   4 -16.935  -5.008 -25.605
   37    HG2  PRO   4           HG2      PRO   4 -15.328  -4.481 -27.701
   38    HG3  PRO   4           HG3      PRO   4 -16.362  -3.168 -27.037
   39    HD2  PRO   4           HD2      PRO   4 -13.420  -3.691 -26.503
   40    HD3  PRO   4           HD3      PRO   4 -14.234  -2.149 -26.927
   41    H    GLY   5           H        GLY   5 -17.048  -3.955 -22.430
   42    HA2  GLY   5           HA2      GLY   5 -17.164  -5.352 -20.600
   43    HA3  GLY   5           HA3      GLY   5 -15.662  -6.145 -21.102
   44    H    TRP   6           H        TRP   6 -14.502  -3.134 -21.021
   45    HA   TRP   6           HA       TRP   6 -13.367  -3.497 -18.372
   46    HB2  TRP   6           HB2      TRP   6 -13.022  -1.350 -20.445
   47    HB3  TRP   6           HB3      TRP   6 -12.132  -1.395 -18.915
   48    HD1  TRP   6           HD1      TRP   6 -12.234  -2.850 -22.351
   49    HE1  TRP   6           HE1      TRP   6 -10.185  -4.311 -22.810
   50    HE3  TRP   6           HE3      TRP   6 -10.378  -3.129 -17.585
   51    HZ2  TRP   6           HZ2      TRP   6  -8.222  -5.712 -21.261
   52    HZ3  TRP   6           HZ3      TRP   6  -8.356  -4.522 -17.122
   53    HH2  TRP   6           HH2      TRP   6  -7.303  -5.840 -18.932
   54    H    GLU   7           H        GLU   7 -13.612  -2.413 -16.551
   55    HA   GLU   7           HA       GLU   7 -15.481  -0.108 -16.268
   56    HB2  GLU   7           HB2      GLU   7 -16.685  -2.256 -15.872
   57    HB3  GLU   7           HB3      GLU   7 -15.464  -2.709 -14.680
   58    HG2  GLU   7           HG2      GLU   7 -16.154  -0.647 -13.348
   59    HG3  GLU   7           HG3      GLU   7 -17.465  -0.419 -14.503
   60    H    LYS   8           H        LYS   8 -14.876   1.347 -14.645
   61    HA   LYS   8           HA       LYS   8 -12.208   1.159 -13.455
   62    HB2  LYS   8           HB2      LYS   8 -14.463   3.176 -13.285
   63    HB3  LYS   8           HB3      LYS   8 -13.088   3.238 -12.169
   64    HG2  LYS   8           HG2      LYS   8 -11.494   3.405 -13.970
   65    HG3  LYS   8           HG3      LYS   8 -12.761   3.116 -15.175
   66    HD2  LYS   8           HD2      LYS   8 -12.265   5.475 -15.190
   67    HD3  LYS   8           HD3      LYS   8 -13.856   5.281 -14.437
   68    HE2  LYS   8           HE2      LYS   8 -12.754   5.397 -12.180
   69    HE3  LYS   8           HE3      LYS   8 -11.193   5.631 -12.983
   70    HZ1  LYS   8           HZ1      LYS   8 -13.516   7.473 -13.197
   71    HZ2  LYS   8           HZ2      LYS   8 -12.184   7.743 -12.295
   72    HZ3  LYS   8           HZ3      LYS   8 -12.066   7.701 -13.922
   73    H    ARG   9           H        ARG   9 -11.653   0.536 -11.560
   74    HA   ARG   9           HA       ARG   9 -13.629  -0.154  -9.423
   75    HB2  ARG   9           HB2      ARG   9 -13.235  -2.072 -11.043
   76    HB3  ARG   9           HB3      ARG   9 -11.566  -2.138 -10.481
   77    HG2  ARG   9           HG2      ARG   9 -12.257  -2.760  -8.257
   78    HG3  ARG   9           HG3      ARG   9 -13.958  -2.367  -8.591
   79    HD2  ARG   9           HD2      ARG   9 -12.418  -4.564 -10.035
   80    HD3  ARG   9           HD3      ARG   9 -13.397  -4.821  -8.571
   81    HE   ARG   9           HE       ARG   9 -14.901  -3.492 -10.684
   82   HH11  ARG   9          HH11      ARG   9 -13.898  -6.678  -9.619
   83   HH12  ARG   9          HH12      ARG   9 -15.232  -7.455 -10.430
   84   HH21  ARG   9          HH21      ARG   9 -16.542  -4.530 -11.704
   85   HH22  ARG   9          HH22      ARG   9 -16.716  -6.265 -11.531
   86    H    MET  10           H        MET  10 -12.778  -0.357  -7.317
   87    HA   MET  10           HA       MET  10 -10.146   0.996  -6.925
   88    HB2  MET  10           HB2      MET  10 -12.589   0.924  -5.135
   89    HB3  MET  10           HB3      MET  10 -11.007   1.601  -4.684
   90    HG2  MET  10           HG2      MET  10 -11.129   3.163  -6.595
   91    HG3  MET  10           HG3      MET  10 -12.711   2.517  -7.031
   92    HE1  MET  10           HE1      MET  10 -11.770   5.219  -3.385
   93    HE2  MET  10           HE2      MET  10 -11.142   3.561  -3.460
   94    HE3  MET  10           HE3      MET  10 -10.623   4.766  -4.664
   95    H    PHE  11           H        PHE  11  -8.569   0.215  -5.695
   96    HA   PHE  11           HA       PHE  11  -8.654  -2.548  -4.663
   97    HB2  PHE  11           HB2      PHE  11  -6.554  -0.344  -4.645
   98    HB3  PHE  11           HB3      PHE  11  -6.319  -1.891  -3.858
   99    HD1  PHE  11           HD1      PHE  11  -5.522  -0.145  -6.753
  100    HD2  PHE  11           HD2      PHE  11  -6.875  -4.027  -5.449
  101    HE1  PHE  11           HE1      PHE  11  -4.500  -1.176  -8.761
  102    HE2  PHE  11           HE2      PHE  11  -5.892  -5.049  -7.486
  103    HZ   PHE  11           HZ       PHE  11  -4.701  -3.628  -9.144
  104    H    ALA  12           H        ALA  12  -8.114  -3.016  -2.393
  105    HA   ALA  12           HA       ALA  12  -9.754  -1.678  -0.509
  106    HB1  ALA  12           HB1      ALA  12  -9.084  -4.050  -0.388
  107    HB2  ALA  12           HB2      ALA  12  -7.399  -3.568  -0.071
  108    HB3  ALA  12           HB3      ALA  12  -8.673  -3.193   1.108
  109    H    ASN  13           H        ASN  13  -6.546  -0.840  -1.518
  110    HA   ASN  13           HA       ASN  13  -5.956   0.822   0.838
  111    HB2  ASN  13           HB2      ASN  13  -3.833   1.244  -0.255
  112    HB3  ASN  13           HB3      ASN  13  -4.192  -0.488  -0.244
  113   HD21  ASN  13          HD21      ASN  13  -2.587  -0.693  -1.916
  114    H    GLY  14           H        GLY  14  -7.994   1.321  -1.757
  115    HA2  GLY  14           HA2      GLY  14  -9.179   3.267  -2.209
  116    HA3  GLY  14           HA3      GLY  14  -7.950   4.251  -1.397
  117    H    THR  15           H        THR  15  -6.557   2.118  -3.733
  118    HA   THR  15           HA       THR  15  -6.161   4.374  -5.635
  119    HB   THR  15           HB       THR  15  -4.859   1.633  -5.642
  120    HG1  THR  15           HG1      THR  15  -4.262   2.591  -3.832
  121   HG21  THR  15          HG21      THR  15  -3.084   2.850  -6.955
  122   HG22  THR  15          HG22      THR  15  -4.610   2.684  -7.811
  123   HG23  THR  15          HG23      THR  15  -4.176   4.242  -7.060
  124    H    VAL  16           H        VAL  16  -6.674   4.264  -7.859
  125    HA   VAL  16           HA       VAL  16  -8.926   2.460  -8.518
  126    HB   VAL  16           HB       VAL  16  -7.892   5.026  -9.757
  127   HG11  VAL  16          HG11      VAL  16  -8.810   3.716 -11.595
  128   HG12  VAL  16          HG12      VAL  16 -10.257   3.316 -10.634
  129   HG13  VAL  16          HG13      VAL  16  -9.946   4.988 -11.157
  130   HG21  VAL  16          HG21      VAL  16  -9.161   5.244  -7.605
  131   HG22  VAL  16          HG22      VAL  16 -10.013   5.960  -8.977
  132   HG23  VAL  16          HG23      VAL  16 -10.520   4.377  -8.358
  133    H    TYR  17           H        TYR  17  -8.995   1.087 -10.160
  134    HA   TYR  17           HA       TYR  17  -6.873   0.889 -12.189
  135    HB2  TYR  17           HB2      TYR  17  -6.423  -1.401 -11.825
  136    HB3  TYR  17           HB3      TYR  17  -6.227  -0.613 -10.288
  137    HD1  TYR  17           HD1      TYR  17  -8.010  -0.923  -8.487
  138    HD2  TYR  17           HD2      TYR  17  -7.972  -3.204 -12.149
  139    HE1  TYR  17           HE1      TYR  17  -9.378  -2.699  -7.405
  140    HE2  TYR  17           HE2      TYR  17  -9.396  -4.942 -11.076
  141    HH   TYR  17           HH       TYR  17 -10.270  -4.781  -7.620
  142    H    TYR  18           H        TYR  18  -7.622  -1.078 -13.712
  143    HA   TYR  18           HA       TYR  18 -10.534  -0.744 -14.293
  144    HB2  TYR  18           HB2      TYR  18  -8.270  -1.066 -16.286
  145    HB3  TYR  18           HB3      TYR  18  -9.989  -0.851 -16.650
  146    HD1  TYR  18           HD1      TYR  18 -11.026   1.365 -16.589
  147    HD2  TYR  18           HD2      TYR  18  -6.917   0.813 -15.379
  148    HE1  TYR  18           HE1      TYR  18 -10.727   3.822 -16.468
  149    HE2  TYR  18           HE2      TYR  18  -6.621   3.286 -15.275
  150    HH   TYR  18           HH       TYR  18  -9.295   5.543 -16.000
  151    H    PHE  19           H        PHE  19 -11.696  -2.553 -14.485
  152    HA   PHE  19           HA       PHE  19 -10.340  -5.218 -14.731
  153    HB2  PHE  19           HB2      PHE  19 -11.096  -5.047 -12.483
  154    HB3  PHE  19           HB3      PHE  19 -12.638  -4.343 -12.958
  155    HD1  PHE  19           HD1      PHE  19 -10.654  -7.480 -12.805
  156    HD2  PHE  19           HD2      PHE  19 -14.503  -5.759 -13.739
  157    HE1  PHE  19           HE1      PHE  19 -11.666  -9.743 -12.820
  158    HE2  PHE  19           HE2      PHE  19 -15.515  -8.014 -13.688
  159    HZ   PHE  19           HZ       PHE  19 -14.102 -10.016 -13.254
  160    H    ASN  20           H        ASN  20 -11.207  -6.654 -16.167
  161    HA   ASN  20           HA       ASN  20 -13.404  -5.653 -17.907
  162    HB2  ASN  20           HB2      ASN  20 -11.147  -6.140 -18.891
  163    HB3  ASN  20           HB3      ASN  20 -11.404  -7.845 -18.499
  164   HD21  ASN  20          HD21      ASN  20 -11.442  -5.896 -21.054
  165   HD22  ASN  20          HD22      ASN  20 -12.869  -6.444 -21.915
  166    H    HIS  21           H        HIS  21 -15.378  -6.456 -17.523
  167    HA   HIS  21           HA       HIS  21 -15.725  -8.786 -15.818
  168    HB2  HIS  21           HB2      HIS  21 -17.877  -8.129 -15.576
  169    HB3  HIS  21           HB3      HIS  21 -17.139  -6.585 -15.988
  170    HD2  HIS  21           HD2      HIS  21 -17.978  -5.396 -18.237
  171    HE1  HIS  21           HE1      HIS  21 -20.806  -8.337 -19.468
  172    HE2  HIS  21           HE2      HIS  21 -19.936  -5.984 -19.895
  173    H    ILE  22           H        ILE  22 -15.442  -8.468 -19.214
  174    HA   ILE  22           HA       ILE  22 -16.966 -10.911 -19.874
  175    HB   ILE  22           HB       ILE  22 -15.321  -9.021 -21.607
  176   HG12  ILE  22          HG12      ILE  22 -18.348  -9.230 -21.186
  177   HG13  ILE  22          HG13      ILE  22 -17.305  -7.941 -20.561
  178   HG21  ILE  22          HG21      ILE  22 -15.490 -11.261 -22.637
  179   HG22  ILE  22          HG22      ILE  22 -17.255 -11.235 -22.426
  180   HG23  ILE  22          HG23      ILE  22 -16.448 -10.097 -23.527
  181   HD11  ILE  22          HD11      ILE  22 -18.029  -8.437 -23.455
  182   HD12  ILE  22          HD12      ILE  22 -18.382  -7.032 -22.433
  183   HD13  ILE  22          HD13      ILE  22 -16.713  -7.349 -22.946
  184    H    THR  23           H        THR  23 -13.584  -9.808 -19.741
  185    HA   THR  23           HA       THR  23 -12.605 -12.540 -20.425
  186    HB   THR  23           HB       THR  23 -10.550 -11.489 -21.073
  187    HG1  THR  23           HG1      THR  23 -10.626  -9.099 -20.976
  188   HG21  THR  23          HG21      THR  23 -12.755  -9.643 -22.094
  189   HG22  THR  23          HG22      THR  23 -11.226 -10.063 -22.887
  190   HG23  THR  23          HG23      THR  23 -12.485 -11.297 -22.699
  191    H    ASN  24           H        ASN  24 -13.128 -10.840 -17.636
  192    HA   ASN  24           HA       ASN  24 -12.375 -10.710 -15.579
  193    HB2  ASN  24           HB2      ASN  24 -11.875 -12.679 -14.374
  194    HB3  ASN  24           HB3      ASN  24 -13.114 -13.027 -15.586
  195   HD21  ASN  24          HD21      ASN  24  -9.546 -13.205 -15.143
  196   HD22  ASN  24          HD22      ASN  24  -9.393 -14.766 -15.971
  197    H    ALA  25           H        ALA  25 -10.443  -9.844 -17.678
  198    HA   ALA  25           HA       ALA  25  -7.822 -10.048 -16.391
  199    HB1  ALA  25           HB1      ALA  25  -8.083  -9.924 -18.848
  200    HB2  ALA  25           HB2      ALA  25  -8.820  -8.313 -18.688
  201    HB3  ALA  25           HB3      ALA  25  -7.125  -8.568 -18.224
  202    H    SER  26           H        SER  26  -6.599  -8.123 -15.692
  203    HA   SER  26           HA       SER  26  -8.085  -5.677 -15.146
  204    HB2  SER  26           HB2      SER  26  -7.422  -5.492 -12.788
  205    HB3  SER  26           HB3      SER  26  -8.559  -6.809 -13.064
  206    HG   SER  26           HG       SER  26  -6.849  -8.270 -12.949
  207    H    GLN  27           H        GLN  27  -6.818  -3.844 -14.849
  208    HA   GLN  27           HA       GLN  27  -3.897  -4.019 -14.811
  209    HB2  GLN  27           HB2      GLN  27  -3.517  -2.928 -16.913
  210    HB3  GLN  27           HB3      GLN  27  -4.446  -4.404 -17.189
  211    HG2  GLN  27           HG2      GLN  27  -6.481  -3.140 -17.570
  212    HG3  GLN  27           HG3      GLN  27  -5.689  -1.632 -17.128
  213   HE21  GLN  27          HE21      GLN  27  -4.678  -0.494 -18.742
  214   HE22  GLN  27          HE22      GLN  27  -4.251  -1.164 -20.328
  215    H    PHE  28           H        PHE  28  -2.850  -1.961 -14.456
  216    HA   PHE  28           HA       PHE  28  -4.492  -0.230 -12.747
  217    HB2  PHE  28           HB2      PHE  28  -2.444  -0.959 -11.839
  218    HB3  PHE  28           HB3      PHE  28  -1.545  -0.574 -13.313
  219    HD1  PHE  28           HD1      PHE  28  -3.285   0.968 -10.374
  220    HD2  PHE  28           HD2      PHE  28  -0.623   1.569 -13.713
  221    HE1  PHE  28           HE1      PHE  28  -2.680   3.215  -9.494
  222    HE2  PHE  28           HE2      PHE  28  -0.026   3.817 -12.838
  223    HZ   PHE  28           HZ       PHE  28  -1.052   4.640 -10.720
  224    H    GLU  29           H        GLU  29  -2.633   0.164 -15.769
  225    HA   GLU  29           HA       GLU  29  -3.365   3.015 -16.005
  226    HB2  GLU  29           HB2      GLU  29  -2.027   3.003 -18.001
  227    HB3  GLU  29           HB3      GLU  29  -1.114   2.363 -16.647
  228    HG2  GLU  29           HG2      GLU  29  -2.483   0.487 -18.621
  229    HG3  GLU  29           HG3      GLU  29  -0.962   1.262 -19.018
  230    H    ARG  30           H        ARG  30  -4.450   3.836 -17.995
  231    HA   ARG  30           HA       ARG  30  -6.989   2.620 -18.144
  232    HB2  ARG  30           HB2      ARG  30  -6.210   5.099 -18.561
  233    HB3  ARG  30           HB3      ARG  30  -6.077   4.592 -20.245
  234    HG2  ARG  30           HG2      ARG  30  -8.604   3.626 -19.485
  235    HG3  ARG  30           HG3      ARG  30  -8.441   5.104 -18.532
  236    HD2  ARG  30           HD2      ARG  30  -9.452   5.909 -20.403
  237    HD3  ARG  30           HD3      ARG  30  -7.760   6.196 -20.838
  238    HE   ARG  30           HE       ARG  30  -8.286   3.646 -21.843
  239   HH11  ARG  30          HH11      ARG  30  -9.908   6.727 -22.374
  240   HH12  ARG  30          HH12      ARG  30 -10.627   6.150 -23.860
  241   HH21  ARG  30          HH21      ARG  30  -9.231   3.032 -23.641
  242   HH22  ARG  30          HH22      ARG  30 -10.408   4.056 -24.463
  243    HA   PRO  31           HA       PRO  31  -6.189  -0.353 -21.443
  244    HB2  PRO  31           HB2      PRO  31  -8.724  -1.354 -21.803
  245    HB3  PRO  31           HB3      PRO  31  -7.669  -1.795 -20.421
  246    HG2  PRO  31           HG2      PRO  31  -9.854   0.303 -20.512
  247    HG3  PRO  31           HG3      PRO  31  -9.587  -0.957 -19.265
  248    HD2  PRO  31           HD2      PRO  31  -8.723   1.553 -18.881
  249    HD3  PRO  31           HD3      PRO  31  -7.713   0.164 -18.380
  250    H    SER  32           H        SER  32  -6.536  -0.593 -23.701
  251    HA   SER  32           HA       SER  32  -8.244   1.248 -25.173
  252    HB2  SER  32           HB2      SER  32  -6.287   2.668 -24.607
  253    HB3  SER  32           HB3      SER  32  -5.213   1.469 -25.369
  254    HG   SER  32           HG       SER  32  -5.791   3.202 -26.774
  255    H    GLY  33           H        GLY  33  -8.359   0.707 -27.347
  256    HA2  GLY  33           HA2      GLY  33  -6.960  -1.485 -28.643
  257    HA3  GLY  33           HA3      GLY  33  -8.547  -1.987 -28.053
  258    H1   4N2 101           H1       4N2  34  -3.557  -0.086  -4.636
  259    H2   4N2 101           H2       4N2  34  -2.726  -2.375  -4.477
  260    H3   4N2 101           H3       4N2  34  -0.576  -2.284  -5.854
  261    H4   4N2 101           H4       4N2  34   0.155   0.002  -6.641
  262    H5   4N2 101           H5       4N2  34  -1.852   1.258  -6.063
  263    H62  4N2 101           H62      4N2  34   0.333   2.395  -4.270
  264    H61  4N2 101           H61      4N2  34   0.405   2.488  -6.031
  265    HO2  4N2 101           H2O      4N2  34  -0.887  -2.981  -3.387
  266    HO3  4N2 101           H3O      4N2  34  -2.559  -2.129  -6.955
  267    HO4  4N2 101           H4O      4N2  34   0.457  -0.691  -3.875
  268    HO6  4N2 101           H6O      4N2  34  -1.984   3.349  -4.766
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1 -16.739   4.703 -24.128
    2    H2   LYS   1           H2       LYS   1 -17.417   5.822 -23.153
    3    H3   LYS   1           H3       LYS   1 -17.105   4.326 -22.576
    4    HA   LYS   1           HA       LYS   1 -15.108   6.308 -23.451
    5    HB2  LYS   1           HB2      LYS   1 -16.177   6.940 -21.331
    6    HB3  LYS   1           HB3      LYS   1 -15.710   5.398 -20.608
    7    HG2  LYS   1           HG2      LYS   1 -13.311   5.974 -20.921
    8    HG3  LYS   1           HG3      LYS   1 -13.775   7.487 -21.723
    9    HD2  LYS   1           HD2      LYS   1 -14.867   8.264 -19.644
   10    HD3  LYS   1           HD3      LYS   1 -14.441   6.737 -18.836
   11    HE2  LYS   1           HE2      LYS   1 -12.042   7.205 -19.165
   12    HE3  LYS   1           HE3      LYS   1 -12.430   8.689 -20.049
   13    HZ1  LYS   1           HZ1      LYS   1 -13.443   9.564 -18.022
   14    HZ2  LYS   1           HZ2      LYS   1 -13.100   8.195 -17.198
   15    HZ3  LYS   1           HZ3      LYS   1 -11.891   9.157 -17.730
   16    H    LEU   2           H        LEU   2 -15.054   3.369 -21.325
   17    HA   LEU   2           HA       LEU   2 -12.440   2.618 -22.331
   18    HB2  LEU   2           HB2      LEU   2 -14.453   1.087 -20.622
   19    HB3  LEU   2           HB3      LEU   2 -12.830   0.575 -20.966
   20    HG   LEU   2           HG       LEU   2 -12.519   1.329 -18.901
   21   HD11  LEU   2          HD11      LEU   2 -11.302   3.400 -18.864
   22   HD12  LEU   2          HD12      LEU   2 -10.965   2.572 -20.395
   23   HD13  LEU   2          HD13      LEU   2 -12.073   3.960 -20.356
   24   HD21  LEU   2          HD21      LEU   2 -14.788   2.166 -18.535
   25   HD22  LEU   2          HD22      LEU   2 -13.548   3.194 -17.799
   26   HD23  LEU   2          HD23      LEU   2 -14.342   3.717 -19.297
   27    HA   PRO   3           HA       PRO   3 -13.634  -0.103 -25.688
   28    HB2  PRO   3           HB2      PRO   3 -11.751  -2.117 -25.545
   29    HB3  PRO   3           HB3      PRO   3 -11.411  -0.462 -26.137
   30    HG2  PRO   3           HG2      PRO   3 -10.926  -1.597 -23.376
   31    HG3  PRO   3           HG3      PRO   3  -9.812  -0.636 -24.388
   32    HD2  PRO   3           HD2      PRO   3 -11.299   0.457 -22.403
   33    HD3  PRO   3           HD3      PRO   3 -10.941   1.363 -23.892
   34    HA   PRO   4           HA       PRO   4 -16.526  -2.973 -24.502
   35    HB2  PRO   4           HB2      PRO   4 -15.179  -5.206 -26.043
   36    HB3  PRO   4           HB3      PRO   4 -16.918  -4.757 -25.997
   37    HG2  PRO   4           HG2      PRO   4 -15.394  -3.893 -28.045
   38    HG3  PRO   4           HG3      PRO   4 -16.495  -2.733 -27.223
   39    HD2  PRO   4           HD2      PRO   4 -13.513  -3.097 -26.838
   40    HD3  PRO   4           HD3      PRO   4 -14.460  -1.585 -27.005
   41    H    GLY   5           H        GLY   5 -17.064  -3.975 -22.718
   42    HA2  GLY   5           HA2      GLY   5 -17.114  -5.469 -20.959
   43    HA3  GLY   5           HA3      GLY   5 -15.619  -6.219 -21.543
   44    H    TRP   6           H        TRP   6 -14.556  -3.150 -21.360
   45    HA   TRP   6           HA       TRP   6 -13.408  -3.568 -18.684
   46    HB2  TRP   6           HB2      TRP   6 -12.872  -1.589 -20.888
   47    HB3  TRP   6           HB3      TRP   6 -12.082  -1.517 -19.311
   48    HD1  TRP   6           HD1      TRP   6 -12.152  -3.450 -22.575
   49    HE1  TRP   6           HE1      TRP   6 -10.089  -4.967 -22.759
   50    HE3  TRP   6           HE3      TRP   6 -10.347  -2.961 -17.800
   51    HZ2  TRP   6           HZ2      TRP   6  -7.969  -5.899 -21.050
   52    HZ3  TRP   6           HZ3      TRP   6  -8.284  -4.185 -17.116
   53    HH2  TRP   6           HH2      TRP   6  -7.109  -5.661 -18.716
   54    H    GLU   7           H        GLU   7 -13.668  -2.380 -16.899
   55    HA   GLU   7           HA       GLU   7 -15.129   0.188 -16.899
   56    HB2  GLU   7           HB2      GLU   7 -16.790  -1.727 -16.656
   57    HB3  GLU   7           HB3      GLU   7 -15.989  -2.149 -15.139
   58    HG2  GLU   7           HG2      GLU   7 -16.632   0.013 -14.172
   59    HG3  GLU   7           HG3      GLU   7 -17.207   0.583 -15.741
   60    H    LYS   8           H        LYS   8 -14.831   1.378 -14.837
   61    HA   LYS   8           HA       LYS   8 -12.204   0.999 -13.667
   62    HB2  LYS   8           HB2      LYS   8 -14.465   2.957 -13.154
   63    HB3  LYS   8           HB3      LYS   8 -13.047   2.870 -12.095
   64    HG2  LYS   8           HG2      LYS   8 -11.535   3.221 -13.988
   65    HG3  LYS   8           HG3      LYS   8 -12.918   3.264 -15.101
   66    HD2  LYS   8           HD2      LYS   8 -12.248   5.525 -14.724
   67    HD3  LYS   8           HD3      LYS   8 -13.760   5.297 -13.827
   68    HE2  LYS   8           HE2      LYS   8 -12.428   4.930 -11.737
   69    HE3  LYS   8           HE3      LYS   8 -10.937   5.150 -12.665
   70    HZ1  LYS   8           HZ1      LYS   8 -11.602   7.196 -11.532
   71    HZ2  LYS   8           HZ2      LYS   8 -11.645   7.425 -13.147
   72    HZ3  LYS   8           HZ3      LYS   8 -13.036   7.223 -12.309
   73    H    ARG   9           H        ARG   9 -11.622   0.503 -11.729
   74    HA   ARG   9           HA       ARG   9 -13.438  -0.725  -9.711
   75    HB2  ARG   9           HB2      ARG   9 -12.206  -2.338 -11.608
   76    HB3  ARG   9           HB3      ARG   9 -10.949  -2.235 -10.403
   77    HG2  ARG   9           HG2      ARG   9 -12.015  -4.042  -9.541
   78    HG3  ARG   9           HG3      ARG   9 -13.054  -2.840  -8.763
   79    HD2  ARG   9           HD2      ARG   9 -13.567  -4.528 -11.233
   80    HD3  ARG   9           HD3      ARG   9 -14.472  -4.510  -9.706
   81    HE   ARG   9           HE       ARG   9 -14.590  -1.923 -10.970
   82   HH11  ARG   9          HH11      ARG   9 -16.206  -1.205 -12.107
   83   HH12  ARG   9          HH12      ARG   9 -17.430  -2.273 -12.782
   84   HH21  ARG   9          HH21      ARG   9 -15.986  -5.115 -11.448
   85   HH22  ARG   9          HH22      ARG   9 -17.321  -4.446 -12.360
   86    H    MET  10           H        MET  10 -12.133  -1.308  -7.661
   87    HA   MET  10           HA       MET  10  -9.788   0.419  -7.201
   88    HB2  MET  10           HB2      MET  10 -11.737   1.946  -7.127
   89    HB3  MET  10           HB3      MET  10 -12.472   0.946  -5.858
   90    HG2  MET  10           HG2      MET  10 -10.649   1.506  -4.331
   91    HG3  MET  10           HG3      MET  10  -9.801   2.382  -5.616
   92    HE1  MET  10           HE1      MET  10 -10.882   5.246  -3.177
   93    HE2  MET  10           HE2      MET  10 -10.369   3.598  -2.752
   94    HE3  MET  10           HE3      MET  10  -9.536   4.485  -4.054
   95    H    PHE  11           H        PHE  11  -8.552  -0.167  -5.533
   96    HA   PHE  11           HA       PHE  11  -9.213  -2.545  -3.905
   97    HB2  PHE  11           HB2      PHE  11  -6.717  -0.830  -4.173
   98    HB3  PHE  11           HB3      PHE  11  -6.858  -2.194  -3.077
   99    HD1  PHE  11           HD1      PHE  11  -6.179  -1.188  -6.510
  100    HD2  PHE  11           HD2      PHE  11  -7.196  -4.525  -3.975
  101    HE1  PHE  11           HE1      PHE  11  -5.390  -2.759  -8.260
  102    HE2  PHE  11           HE2      PHE  11  -6.396  -6.095  -5.726
  103    HZ   PHE  11           HZ       PHE  11  -5.492  -5.214  -7.871
  104    H    ALA  12           H        ALA  12  -9.274  -2.556  -1.647
  105    HA   ALA  12           HA       ALA  12 -10.445  -0.335  -0.320
  106    HB1  ALA  12           HB1      ALA  12 -10.800  -2.703   0.279
  107    HB2  ALA  12           HB2      ALA  12  -9.106  -2.831   0.815
  108    HB3  ALA  12           HB3      ALA  12 -10.239  -1.767   1.676
  109    H    ASN  13           H        ASN  13  -7.096  -0.933  -0.914
  110    HA   ASN  13           HA       ASN  13  -6.066   0.713   1.266
  111    HB2  ASN  13           HB2      ASN  13  -3.905   0.326   0.263
  112    HB3  ASN  13           HB3      ASN  13  -4.813  -1.188   0.332
  113   HD21  ASN  13          HD21      ASN  13  -3.335  -2.024  -1.249
  114    H    GLY  14           H        GLY  14  -7.723   1.595  -1.519
  115    HA2  GLY  14           HA2      GLY  14  -8.235   3.872  -1.979
  116    HA3  GLY  14           HA3      GLY  14  -6.631   4.372  -1.421
  117    H    THR  15           H        THR  15  -6.296   1.666  -3.480
  118    HA   THR  15           HA       THR  15  -5.298   3.427  -5.647
  119    HB   THR  15           HB       THR  15  -4.982   0.427  -5.334
  120    HG1  THR  15           HG1      THR  15  -3.998   1.350  -3.670
  121   HG21  THR  15          HG21      THR  15  -3.031   0.752  -6.828
  122   HG22  THR  15          HG22      THR  15  -4.540   1.174  -7.641
  123   HG23  THR  15          HG23      THR  15  -3.473   2.460  -7.032
  124    H    VAL  16           H        VAL  16  -6.318   3.753  -7.532
  125    HA   VAL  16           HA       VAL  16  -8.731   2.169  -8.236
  126    HB   VAL  16           HB       VAL  16  -7.649   4.841  -9.170
  127   HG11  VAL  16          HG11      VAL  16 -10.149   3.398 -10.138
  128   HG12  VAL  16          HG12      VAL  16  -9.750   5.102 -10.448
  129   HG13  VAL  16          HG13      VAL  16  -8.725   3.833 -11.116
  130   HG21  VAL  16          HG21      VAL  16  -9.719   5.706  -8.142
  131   HG22  VAL  16          HG22      VAL  16 -10.189   4.059  -7.671
  132   HG23  VAL  16          HG23      VAL  16  -8.762   4.828  -6.946
  133    H    TYR  17           H        TYR  17  -8.992   1.102 -10.150
  134    HA   TYR  17           HA       TYR  17  -6.841   0.928 -12.140
  135    HB2  TYR  17           HB2      TYR  17  -6.455  -1.408 -11.920
  136    HB3  TYR  17           HB3      TYR  17  -6.165  -0.673 -10.373
  137    HD1  TYR  17           HD1      TYR  17  -7.871  -0.978  -8.496
  138    HD2  TYR  17           HD2      TYR  17  -8.039  -3.193 -12.192
  139    HE1  TYR  17           HE1      TYR  17  -9.077  -2.822  -7.343
  140    HE2  TYR  17           HE2      TYR  17  -9.318  -4.999 -11.055
  141    HH   TYR  17           HH       TYR  17  -9.858  -4.954  -7.519
  142    H    TYR  18           H        TYR  18  -7.583  -1.021 -13.730
  143    HA   TYR  18           HA       TYR  18 -10.482  -0.656 -14.363
  144    HB2  TYR  18           HB2      TYR  18  -8.153  -0.821 -16.305
  145    HB3  TYR  18           HB3      TYR  18  -9.867  -0.699 -16.727
  146    HD1  TYR  18           HD1      TYR  18  -6.969   1.112 -15.265
  147    HD2  TYR  18           HD2      TYR  18 -11.045   1.427 -16.640
  148    HE1  TYR  18           HE1      TYR  18  -6.834   3.587 -15.075
  149    HE2  TYR  18           HE2      TYR  18 -10.888   3.914 -16.500
  150    HH   TYR  18           HH       TYR  18  -7.947   5.564 -15.325
  151    H    PHE  19           H        PHE  19 -11.605  -2.439 -14.933
  152    HA   PHE  19           HA       PHE  19 -10.224  -5.087 -15.055
  153    HB2  PHE  19           HB2      PHE  19 -10.839  -4.925 -12.803
  154    HB3  PHE  19           HB3      PHE  19 -12.363  -4.122 -13.160
  155    HD1  PHE  19           HD1      PHE  19 -10.622  -7.384 -13.039
  156    HD2  PHE  19           HD2      PHE  19 -14.376  -5.388 -13.799
  157    HE1  PHE  19           HE1      PHE  19 -11.817  -9.549 -12.844
  158    HE2  PHE  19           HE2      PHE  19 -15.565  -7.544 -13.559
  159    HZ   PHE  19           HZ       PHE  19 -14.296  -9.631 -13.099
  160    H    ASN  20           H        ASN  20 -11.100  -6.574 -16.370
  161    HA   ASN  20           HA       ASN  20 -13.303  -5.701 -18.154
  162    HB2  ASN  20           HB2      ASN  20 -11.082  -6.254 -19.140
  163    HB3  ASN  20           HB3      ASN  20 -11.259  -7.908 -18.539
  164   HD21  ASN  20          HD21      ASN  20 -13.207  -6.784 -21.917
  165   HD22  ASN  20          HD22      ASN  20 -12.160  -5.665 -21.049
  166    H    HIS  21           H        HIS  21 -15.283  -6.442 -17.647
  167    HA   HIS  21           HA       HIS  21 -15.590  -8.560 -15.698
  168    HB2  HIS  21           HB2      HIS  21 -17.750  -7.875 -15.489
  169    HB3  HIS  21           HB3      HIS  21 -16.989  -6.392 -16.058
  170    HD2  HIS  21           HD2      HIS  21 -17.823  -5.422 -18.417
  171    HE1  HIS  21           HE1      HIS  21 -20.745  -8.396 -19.299
  172    HE2  HIS  21           HE2      HIS  21 -19.821  -6.125 -19.980
  173    H    ILE  22           H        ILE  22 -15.490  -8.641 -19.118
  174    HA   ILE  22           HA       ILE  22 -17.072 -11.087 -19.448
  175    HB   ILE  22           HB       ILE  22 -15.369  -9.480 -21.392
  176   HG12  ILE  22          HG12      ILE  22 -18.394  -9.540 -20.965
  177   HG13  ILE  22          HG13      ILE  22 -17.307  -8.236 -20.459
  178   HG21  ILE  22          HG21      ILE  22 -15.598 -11.809 -22.177
  179   HG22  ILE  22          HG22      ILE  22 -17.361 -11.718 -21.962
  180   HG23  ILE  22          HG23      ILE  22 -16.536 -10.724 -23.184
  181   HD11  ILE  22          HD11      ILE  22 -18.350  -7.483 -22.418
  182   HD12  ILE  22          HD12      ILE  22 -16.680  -7.880 -22.868
  183   HD13  ILE  22          HD13      ILE  22 -18.012  -8.981 -23.301
  184    H    THR  23           H        THR  23 -13.648 -10.206 -19.381
  185    HA   THR  23           HA       THR  23 -12.832 -13.070 -19.701
  186    HB   THR  23           HB       THR  23 -10.703 -12.231 -20.505
  187    HG1  THR  23           HG1      THR  23 -11.846  -9.660 -20.316
  188   HG21  THR  23          HG21      THR  23 -12.551 -12.469 -22.163
  189   HG22  THR  23          HG22      THR  23 -12.950 -10.750 -21.944
  190   HG23  THR  23          HG23      THR  23 -11.369 -11.221 -22.602
  191    H    ASN  24           H        ASN  24 -13.095 -10.818 -17.241
  192    HA   ASN  24           HA       ASN  24 -12.325 -10.554 -15.191
  193    HB2  ASN  24           HB2      ASN  24 -11.278 -13.397 -15.331
  194    HB3  ASN  24           HB3      ASN  24 -11.601 -12.454 -13.869
  195   HD21  ASN  24          HD21      ASN  24 -13.825 -12.015 -13.279
  196   HD22  ASN  24          HD22      ASN  24 -15.116 -12.996 -13.977
  197    H    ALA  25           H        ALA  25 -10.416 -10.028 -17.540
  198    HA   ALA  25           HA       ALA  25  -7.769 -10.030 -16.326
  199    HB1  ALA  25           HB1      ALA  25  -7.156  -8.736 -18.322
  200    HB2  ALA  25           HB2      ALA  25  -8.124 -10.154 -18.771
  201    HB3  ALA  25           HB3      ALA  25  -8.869  -8.539 -18.747
  202    H    SER  26           H        SER  26  -6.536  -8.069 -15.794
  203    HA   SER  26           HA       SER  26  -8.026  -5.592 -15.298
  204    HB2  SER  26           HB2      SER  26  -7.363  -5.403 -12.953
  205    HB3  SER  26           HB3      SER  26  -8.429  -6.786 -13.214
  206    HG   SER  26           HG       SER  26  -6.649  -7.313 -11.883
  207    H    GLN  27           H        GLN  27  -6.768  -3.748 -15.029
  208    HA   GLN  27           HA       GLN  27  -3.850  -3.897 -14.983
  209    HB2  GLN  27           HB2      GLN  27  -3.440  -2.773 -17.049
  210    HB3  GLN  27           HB3      GLN  27  -4.385  -4.227 -17.385
  211    HG2  GLN  27           HG2      GLN  27  -6.404  -2.896 -17.730
  212    HG3  GLN  27           HG3      GLN  27  -5.572  -1.431 -17.235
  213   HE21  GLN  27          HE21      GLN  27  -4.886  -0.187 -18.916
  214   HE22  GLN  27          HE22      GLN  27  -4.377  -0.816 -20.496
  215    H    PHE  28           H        PHE  28  -2.826  -1.815 -14.572
  216    HA   PHE  28           HA       PHE  28  -4.469  -0.226 -12.790
  217    HB2  PHE  28           HB2      PHE  28  -2.298  -0.906 -12.104
  218    HB3  PHE  28           HB3      PHE  28  -1.548  -0.276 -13.578
  219    HD1  PHE  28           HD1      PHE  28  -0.867   1.975 -13.776
  220    HD2  PHE  28           HD2      PHE  28  -3.247   0.742 -10.407
  221    HE1  PHE  28           HE1      PHE  28  -0.446   4.176 -12.681
  222    HE2  PHE  28           HE2      PHE  28  -2.829   2.937  -9.305
  223    HZ   PHE  28           HZ       PHE  28  -1.425   4.648 -10.431
  224    H    GLU  29           H        GLU  29  -2.853   0.464 -15.906
  225    HA   GLU  29           HA       GLU  29  -3.834   3.260 -15.886
  226    HB2  GLU  29           HB2      GLU  29  -2.441   3.612 -17.789
  227    HB3  GLU  29           HB3      GLU  29  -1.511   2.798 -16.528
  228    HG2  GLU  29           HG2      GLU  29  -1.905   0.610 -17.746
  229    HG3  GLU  29           HG3      GLU  29  -2.675   1.522 -19.048
  230    H    ARG  30           H        ARG  30  -4.942   4.150 -17.838
  231    HA   ARG  30           HA       ARG  30  -7.375   2.774 -18.133
  232    HB2  ARG  30           HB2      ARG  30  -6.811   5.316 -18.367
  233    HB3  ARG  30           HB3      ARG  30  -6.517   4.943 -20.063
  234    HG2  ARG  30           HG2      ARG  30  -8.988   3.719 -19.600
  235    HG3  ARG  30           HG3      ARG  30  -9.045   5.109 -18.506
  236    HD2  ARG  30           HD2      ARG  30 -10.004   5.909 -20.470
  237    HD3  ARG  30           HD3      ARG  30  -8.338   6.509 -20.570
  238    HE   ARG  30           HE       ARG  30  -8.710   3.888 -21.843
  239   HH11  ARG  30          HH11      ARG  30  -9.071   7.325 -22.518
  240   HH12  ARG  30          HH12      ARG  30  -9.070   7.045 -24.242
  241   HH21  ARG  30          HH21      ARG  30  -8.736   3.630 -23.933
  242   HH22  ARG  30          HH22      ARG  30  -8.838   4.986 -25.045
  243    HA   PRO  31           HA       PRO  31  -6.313   0.066 -21.593
  244    HB2  PRO  31           HB2      PRO  31  -8.746  -1.124 -22.031
  245    HB3  PRO  31           HB3      PRO  31  -7.692  -1.525 -20.637
  246    HG2  PRO  31           HG2      PRO  31 -10.003   0.449 -20.710
  247    HG3  PRO  31           HG3      PRO  31  -9.734  -0.878 -19.542
  248    HD2  PRO  31           HD2      PRO  31  -9.006   1.634 -18.956
  249    HD3  PRO  31           HD3      PRO  31  -7.913   0.279 -18.534
  250    H    SER  32           H        SER  32  -6.528  -0.015 -23.824
  251    HA   SER  32           HA       SER  32  -8.480   1.756 -25.189
  252    HB2  SER  32           HB2      SER  32  -6.387   3.062 -24.624
  253    HB3  SER  32           HB3      SER  32  -5.491   1.969 -25.703
  254    HG   SER  32           HG       SER  32  -6.957   2.606 -27.365
  255    H    GLY  33           H        GLY  33  -7.663  -1.268 -25.058
  256    HA2  GLY  33           HA2      GLY  33  -7.863  -3.081 -26.478
  257    HA3  GLY  33           HA3      GLY  33  -8.410  -1.983 -27.743
  258    H1   4N2 101           H1       4N2  34  -3.762  -1.055  -4.020
  259    H2   4N2 101           H2       4N2  34  -4.187  -3.459  -3.945
  260    H3   4N2 101           H3       4N2  34  -2.232  -4.332  -5.319
  261    H4   4N2 101           H4       4N2  34  -0.418  -2.671  -5.899
  262    H5   4N2 101           H5       4N2  34  -1.591  -0.610  -5.233
  263    H62  4N2 101           H62      4N2  34   0.784  -0.310  -5.289
  264    H61  4N2 101           H61      4N2  34   0.132   0.588  -3.921
  265    HO2  4N2 101           H2O      4N2  34  -1.631  -3.962  -2.786
  266    HO3  4N2 101           H3O      4N2  34  -3.854  -3.101  -6.370
  267    HO4  4N2 101           H4O      4N2  34   0.587  -2.843  -3.669
  268    HO6  4N2 101           H6O      4N2  34   2.009  -0.543  -3.292
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -15.545   4.183 -24.566
    2    H2   LYS   1           H2       LYS   1 -14.644   4.452 -25.907
    3    H3   LYS   1           H3       LYS   1 -15.515   5.667 -25.251
    4    HA   LYS   1           HA       LYS   1 -13.202   5.960 -24.755
    5    HB2  LYS   1           HB2      LYS   1 -14.888   6.788 -23.163
    6    HB3  LYS   1           HB3      LYS   1 -14.820   5.269 -22.269
    7    HG2  LYS   1           HG2      LYS   1 -12.411   5.692 -21.757
    8    HG3  LYS   1           HG3      LYS   1 -12.479   7.190 -22.703
    9    HD2  LYS   1           HD2      LYS   1 -14.186   8.099 -21.157
   10    HD3  LYS   1           HD3      LYS   1 -14.152   6.589 -20.217
   11    HE2  LYS   1           HE2      LYS   1 -11.771   6.950 -19.685
   12    HE3  LYS   1           HE3      LYS   1 -11.752   8.420 -20.673
   13    HZ1  LYS   1           HZ1      LYS   1 -13.382   9.389 -19.151
   14    HZ2  LYS   1           HZ2      LYS   1 -13.409   8.034 -18.237
   15    HZ3  LYS   1           HZ3      LYS   1 -12.052   8.940 -18.322
   16    H    LEU   2           H        LEU   2 -14.070   3.241 -22.532
   17    HA   LEU   2           HA       LEU   2 -11.437   2.016 -22.972
   18    HB2  LEU   2           HB2      LEU   2 -13.795   0.857 -21.443
   19    HB3  LEU   2           HB3      LEU   2 -12.114   0.383 -21.388
   20    HG   LEU   2           HG       LEU   2 -12.438   1.349 -19.379
   21   HD11  LEU   2          HD11      LEU   2 -10.423   2.237 -20.567
   22   HD12  LEU   2          HD12      LEU   2 -11.336   3.713 -20.926
   23   HD13  LEU   2          HD13      LEU   2 -11.027   3.244 -19.234
   24   HD21  LEU   2          HD21      LEU   2 -14.620   2.420 -19.801
   25   HD22  LEU   2          HD22      LEU   2 -13.515   3.403 -18.830
   26   HD23  LEU   2          HD23      LEU   2 -13.778   3.812 -20.531
   27    HA   PRO   3           HA       PRO   3 -12.940  -1.015 -25.995
   28    HB2  PRO   3           HB2      PRO   3 -11.470  -3.210 -24.629
   29    HB3  PRO   3           HB3      PRO   3 -11.254  -2.560 -26.280
   30    HG2  PRO   3           HG2      PRO   3  -9.424  -2.089 -24.296
   31    HG3  PRO   3           HG3      PRO   3  -9.828  -0.857 -25.534
   32    HD2  PRO   3           HD2      PRO   3 -10.946  -1.119 -22.735
   33    HD3  PRO   3           HD3      PRO   3 -10.254   0.324 -23.524
   34    HA   PRO   4           HA       PRO   4 -16.353  -3.355 -24.433
   35    HB2  PRO   4           HB2      PRO   4 -15.161  -5.914 -25.529
   36    HB3  PRO   4           HB3      PRO   4 -16.852  -5.318 -25.637
   37    HG2  PRO   4           HG2      PRO   4 -15.209  -4.966 -27.741
   38    HG3  PRO   4           HG3      PRO   4 -16.210  -3.586 -27.170
   39    HD2  PRO   4           HD2      PRO   4 -13.290  -4.159 -26.570
   40    HD3  PRO   4           HD3      PRO   4 -14.052  -2.624 -27.097
   41    H    GLY   5           H        GLY   5 -16.967  -4.066 -22.532
   42    HA2  GLY   5           HA2      GLY   5 -17.151  -5.358 -20.627
   43    HA3  GLY   5           HA3      GLY   5 -15.664  -6.216 -21.061
   44    H    TRP   6           H        TRP   6 -14.441  -3.233 -21.125
   45    HA   TRP   6           HA       TRP   6 -13.327  -3.466 -18.445
   46    HB2  TRP   6           HB2      TRP   6 -12.938  -1.500 -20.683
   47    HB3  TRP   6           HB3      TRP   6 -12.055  -1.416 -19.151
   48    HD1  TRP   6           HD1      TRP   6 -12.157  -3.180 -22.452
   49    HE1  TRP   6           HE1      TRP   6 -10.097  -4.665 -22.762
   50    HE3  TRP   6           HE3      TRP   6 -10.347  -3.047 -17.660
   51    HZ2  TRP   6           HZ2      TRP   6  -8.188  -5.967 -21.073
   52    HZ3  TRP   6           HZ3      TRP   6  -8.352  -4.413 -17.055
   53    HH2  TRP   6           HH2      TRP   6  -7.290  -5.898 -18.727
   54    H    GLU   7           H        GLU   7 -13.695  -2.342 -16.656
   55    HA   GLU   7           HA       GLU   7 -15.104   0.259 -16.665
   56    HB2  GLU   7           HB2      GLU   7 -16.850  -1.480 -16.458
   57    HB3  GLU   7           HB3      GLU   7 -16.021  -2.161 -15.050
   58    HG2  GLU   7           HG2      GLU   7 -16.457  -0.150 -13.754
   59    HG3  GLU   7           HG3      GLU   7 -17.037   0.704 -15.188
   60    H    LYS   8           H        LYS   8 -14.710   1.510 -14.723
   61    HA   LYS   8           HA       LYS   8 -12.129   1.075 -13.485
   62    HB2  LYS   8           HB2      LYS   8 -14.319   3.142 -13.105
   63    HB3  LYS   8           HB3      LYS   8 -12.886   3.084 -12.061
   64    HG2  LYS   8           HG2      LYS   8 -11.388   3.311 -13.943
   65    HG3  LYS   8           HG3      LYS   8 -12.740   3.182 -15.083
   66    HD2  LYS   8           HD2      LYS   8 -12.148   5.488 -14.987
   67    HD3  LYS   8           HD3      LYS   8 -13.668   5.331 -14.089
   68    HE2  LYS   8           HE2      LYS   8 -12.351   5.258 -11.953
   69    HE3  LYS   8           HE3      LYS   8 -10.860   5.426 -12.894
   70    HZ1  LYS   8           HZ1      LYS   8 -13.043   7.440 -12.797
   71    HZ2  LYS   8           HZ2      LYS   8 -11.614   7.566 -12.020
   72    HZ3  LYS   8           HZ3      LYS   8 -11.657   7.595 -13.651
   73    H    ARG   9           H        ARG   9 -11.626   0.580 -11.496
   74    HA   ARG   9           HA       ARG   9 -13.608   0.012  -9.374
   75    HB2  ARG   9           HB2      ARG   9 -13.355  -2.099 -10.747
   76    HB3  ARG   9           HB3      ARG   9 -11.668  -2.186 -10.235
   77    HG2  ARG   9           HG2      ARG   9 -12.312  -2.518  -7.928
   78    HG3  ARG   9           HG3      ARG   9 -13.993  -2.031  -8.266
   79    HD2  ARG   9           HD2      ARG   9 -14.254  -4.027  -9.729
   80    HD3  ARG   9           HD3      ARG   9 -12.633  -4.570  -9.270
   81    HE   ARG   9           HE       ARG   9 -15.101  -4.673  -7.691
   82   HH11  ARG   9          HH11      ARG   9 -11.596  -4.855  -7.369
   83   HH12  ARG   9          HH12      ARG   9 -11.720  -5.561  -5.776
   84   HH21  ARG   9          HH21      ARG   9 -15.147  -5.602  -5.700
   85   HH22  ARG   9          HH22      ARG   9 -13.658  -5.992  -4.880
   86    H    MET  10           H        MET  10 -12.711  -0.166  -7.252
   87    HA   MET  10           HA       MET  10  -9.985   1.016  -6.960
   88    HB2  MET  10           HB2      MET  10 -12.387   1.164  -5.120
   89    HB3  MET  10           HB3      MET  10 -10.744   1.681  -4.675
   90    HG2  MET  10           HG2      MET  10 -10.707   3.234  -6.582
   91    HG3  MET  10           HG3      MET  10 -12.376   2.814  -6.980
   92    HE1  MET  10           HE1      MET  10 -14.472   3.518  -5.603
   93    HE2  MET  10           HE2      MET  10 -13.871   2.690  -4.147
   94    HE3  MET  10           HE3      MET  10 -14.423   4.373  -4.046
   95    H    PHE  11           H        PHE  11  -8.451   0.104  -5.752
   96    HA   PHE  11           HA       PHE  11  -8.700  -2.650  -4.762
   97    HB2  PHE  11           HB2      PHE  11  -6.512  -0.535  -4.606
   98    HB3  PHE  11           HB3      PHE  11  -6.362  -2.123  -3.880
   99    HD1  PHE  11           HD1      PHE  11  -5.621  -0.259  -6.791
  100    HD2  PHE  11           HD2      PHE  11  -6.798  -4.194  -5.473
  101    HE1  PHE  11           HE1      PHE  11  -4.609  -1.246  -8.828
  102    HE2  PHE  11           HE2      PHE  11  -5.823  -5.171  -7.537
  103    HZ   PHE  11           HZ       PHE  11  -4.724  -3.701  -9.215
  104    H    ALA  12           H        ALA  12  -8.208  -3.198  -2.481
  105    HA   ALA  12           HA       ALA  12  -9.877  -1.889  -0.609
  106    HB1  ALA  12           HB1      ALA  12  -9.228  -4.268  -0.528
  107    HB2  ALA  12           HB2      ALA  12  -7.548  -3.808  -0.154
  108    HB3  ALA  12           HB3      ALA  12  -8.852  -3.452   1.000
  109    H    ASN  13           H        ASN  13  -6.631  -1.061  -1.499
  110    HA   ASN  13           HA       ASN  13  -6.107   0.552   0.909
  111    HB2  ASN  13           HB2      ASN  13  -3.931   0.946  -0.090
  112    HB3  ASN  13           HB3      ASN  13  -4.322  -0.778  -0.108
  113   HD21  ASN  13          HD21      ASN  13  -2.766  -1.139  -1.759
  114    H    GLY  14           H        GLY  14  -8.031   1.127  -1.756
  115    HA2  GLY  14           HA2      GLY  14  -9.158   3.098  -2.243
  116    HA3  GLY  14           HA3      GLY  14  -7.956   4.048  -1.353
  117    H    THR  15           H        THR  15  -6.542   1.910  -3.686
  118    HA   THR  15           HA       THR  15  -5.956   4.186  -5.513
  119    HB   THR  15           HB       THR  15  -4.810   1.375  -5.485
  120    HG1  THR  15           HG1      THR  15  -4.213   2.314  -3.675
  121   HG21  THR  15          HG21      THR  15  -4.416   2.392  -7.658
  122   HG22  THR  15          HG22      THR  15  -3.878   3.910  -6.894
  123   HG23  THR  15          HG23      THR  15  -2.917   2.423  -6.730
  124    H    VAL  16           H        VAL  16  -6.428   4.180  -7.741
  125    HA   VAL  16           HA       VAL  16  -8.781   2.545  -8.478
  126    HB   VAL  16           HB       VAL  16  -7.557   5.072  -9.626
  127   HG11  VAL  16          HG11      VAL  16  -8.552   3.891 -11.513
  128   HG12  VAL  16          HG12      VAL  16 -10.031   3.568 -10.575
  129   HG13  VAL  16          HG13      VAL  16  -9.592   5.230 -11.039
  130   HG21  VAL  16          HG21      VAL  16  -9.602   6.134  -8.825
  131   HG22  VAL  16          HG22      VAL  16 -10.246   4.572  -8.285
  132   HG23  VAL  16          HG23      VAL  16  -8.838   5.292  -7.472
  133    H    TYR  17           H        TYR  17  -8.937   1.222 -10.160
  134    HA   TYR  17           HA       TYR  17  -6.847   0.970 -12.207
  135    HB2  TYR  17           HB2      TYR  17  -6.364  -1.296 -11.842
  136    HB3  TYR  17           HB3      TYR  17  -6.205  -0.538 -10.287
  137    HD1  TYR  17           HD1      TYR  17  -8.102  -0.865  -8.552
  138    HD2  TYR  17           HD2      TYR  17  -7.805  -3.144 -12.204
  139    HE1  TYR  17           HE1      TYR  17  -9.499  -2.675  -7.551
  140    HE2  TYR  17           HE2      TYR  17  -9.252  -4.907 -11.223
  141    HH   TYR  17           HH       TYR  17 -10.133  -5.715  -9.279
  142    H    TYR  18           H        TYR  18  -7.634  -1.021 -13.688
  143    HA   TYR  18           HA       TYR  18 -10.551  -0.675 -14.250
  144    HB2  TYR  18           HB2      TYR  18  -8.264  -0.922 -16.235
  145    HB3  TYR  18           HB3      TYR  18  -9.989  -0.808 -16.624
  146    HD1  TYR  18           HD1      TYR  18 -11.100   1.324 -16.748
  147    HD2  TYR  18           HD2      TYR  18  -7.086   1.054 -15.178
  148    HE1  TYR  18           HE1      TYR  18 -10.964   3.800 -16.642
  149    HE2  TYR  18           HE2      TYR  18  -6.964   3.532 -15.055
  150    HH   TYR  18           HH       TYR  18  -8.083   5.494 -15.366
  151    H    PHE  19           H        PHE  19 -11.709  -2.469 -14.559
  152    HA   PHE  19           HA       PHE  19 -10.356  -5.130 -14.771
  153    HB2  PHE  19           HB2      PHE  19 -11.047  -4.963 -12.514
  154    HB3  PHE  19           HB3      PHE  19 -12.592  -4.237 -12.932
  155    HD1  PHE  19           HD1      PHE  19 -14.524  -5.634 -13.537
  156    HD2  PHE  19           HD2      PHE  19 -10.625  -7.402 -12.957
  157    HE1  PHE  19           HE1      PHE  19 -15.547  -7.883 -13.454
  158    HE2  PHE  19           HE2      PHE  19 -11.657  -9.655 -12.917
  159    HZ   PHE  19           HZ       PHE  19 -14.121  -9.903 -13.169
  160    H    ASN  20           H        ASN  20 -11.230  -6.575 -16.150
  161    HA   ASN  20           HA       ASN  20 -13.412  -5.622 -17.926
  162    HB2  ASN  20           HB2      ASN  20 -11.158  -6.195 -18.858
  163    HB3  ASN  20           HB3      ASN  20 -11.439  -7.874 -18.380
  164   HD21  ASN  20          HD21      ASN  20 -11.412  -6.076 -21.025
  165   HD22  ASN  20          HD22      ASN  20 -12.826  -6.653 -21.885
  166    H    HIS  21           H        HIS  21 -15.405  -6.346 -17.468
  167    HA   HIS  21           HA       HIS  21 -15.803  -8.595 -15.676
  168    HB2  HIS  21           HB2      HIS  21 -17.940  -7.878 -15.464
  169    HB3  HIS  21           HB3      HIS  21 -17.166  -6.373 -15.949
  170    HD2  HIS  21           HD2      HIS  21 -17.979  -5.269 -18.249
  171    HE1  HIS  21           HE1      HIS  21 -20.868  -8.201 -19.354
  172    HE2  HIS  21           HE2      HIS  21 -19.946  -5.888 -19.884
  173    H    ILE  22           H        ILE  22 -15.479  -8.455 -19.074
  174    HA   ILE  22           HA       ILE  22 -17.072 -10.884 -19.630
  175    HB   ILE  22           HB       ILE  22 -15.389  -9.105 -21.444
  176   HG12  ILE  22          HG12      ILE  22 -18.419  -9.237 -21.013
  177   HG13  ILE  22          HG13      ILE  22 -17.351  -7.941 -20.448
  178   HG21  ILE  22          HG21      ILE  22 -15.600 -11.385 -22.376
  179   HG22  ILE  22          HG22      ILE  22 -17.364 -11.315 -22.166
  180   HG23  ILE  22          HG23      ILE  22 -16.537 -10.241 -23.316
  181   HD11  ILE  22          HD11      ILE  22 -16.752  -7.472 -22.860
  182   HD12  ILE  22          HD12      ILE  22 -18.091  -8.556 -23.315
  183   HD13  ILE  22          HD13      ILE  22 -18.414  -7.099 -22.358
  184    H    THR  23           H        THR  23 -13.660  -9.855 -19.552
  185    HA   THR  23           HA       THR  23 -12.755 -12.640 -20.116
  186    HB   THR  23           HB       THR  23 -10.662 -11.672 -20.779
  187    HG1  THR  23           HG1      THR  23 -10.701  -9.268 -20.787
  188   HG21  THR  23          HG21      THR  23 -11.284 -10.308 -22.660
  189   HG22  THR  23          HG22      THR  23 -12.563 -11.513 -22.439
  190   HG23  THR  23          HG23      THR  23 -12.819  -9.833 -21.909
  191    H    ASN  24           H        ASN  24 -13.108 -10.646 -17.414
  192    HA   ASN  24           HA       ASN  24 -12.374 -10.570 -15.335
  193    HB2  ASN  24           HB2      ASN  24 -11.341 -13.395 -15.693
  194    HB3  ASN  24           HB3      ASN  24 -11.665 -12.566 -14.163
  195   HD21  ASN  24          HD21      ASN  24 -13.004 -14.679 -16.426
  196   HD22  ASN  24          HD22      ASN  24 -14.688 -14.488 -15.928
  197    H    ALA  25           H        ALA  25 -10.442  -9.897 -17.645
  198    HA   ALA  25           HA       ALA  25  -7.813  -9.973 -16.401
  199    HB1  ALA  25           HB1      ALA  25  -8.148  -9.929 -18.853
  200    HB2  ALA  25           HB2      ALA  25  -8.890  -8.318 -18.722
  201    HB3  ALA  25           HB3      ALA  25  -7.181  -8.550 -18.299
  202    H    SER  26           H        SER  26  -6.590  -8.036 -15.769
  203    HA   SER  26           HA       SER  26  -8.085  -5.594 -15.182
  204    HB2  SER  26           HB2      SER  26  -7.334  -5.421 -12.851
  205    HB3  SER  26           HB3      SER  26  -8.474  -6.742 -13.098
  206    HG   SER  26           HG       SER  26  -6.759  -8.194 -13.047
  207    H    GLN  27           H        GLN  27  -6.826  -3.746 -14.908
  208    HA   GLN  27           HA       GLN  27  -3.907  -3.898 -14.919
  209    HB2  GLN  27           HB2      GLN  27  -3.550  -2.751 -16.998
  210    HB3  GLN  27           HB3      GLN  27  -4.462  -4.231 -17.304
  211    HG2  GLN  27           HG2      GLN  27  -6.522  -2.965 -17.624
  212    HG3  GLN  27           HG3      GLN  27  -5.723  -1.467 -17.166
  213   HE21  GLN  27          HE21      GLN  27  -4.925  -0.251 -18.825
  214   HE22  GLN  27          HE22      GLN  27  -4.474  -0.891 -20.417
  215    H    PHE  28           H        PHE  28  -2.869  -1.864 -14.495
  216    HA   PHE  28           HA       PHE  28  -4.489  -0.140 -12.791
  217    HB2  PHE  28           HB2      PHE  28  -2.391  -0.851 -11.970
  218    HB3  PHE  28           HB3      PHE  28  -1.553  -0.403 -13.462
  219    HD1  PHE  28           HD1      PHE  28  -0.738   1.788 -13.851
  220    HD2  PHE  28           HD2      PHE  28  -3.220   0.992 -10.419
  221    HE1  PHE  28           HE1      PHE  28  -0.183   4.034 -12.934
  222    HE2  PHE  28           HE2      PHE  28  -2.658   3.234  -9.495
  223    HZ   PHE  28           HZ       PHE  28  -1.139   4.756 -10.748
  224    H    GLU  29           H        GLU  29  -2.724   0.341 -15.876
  225    HA   GLU  29           HA       GLU  29  -3.503   3.184 -15.996
  226    HB2  GLU  29           HB2      GLU  29  -2.169   3.306 -17.971
  227    HB3  GLU  29           HB3      GLU  29  -1.262   2.473 -16.705
  228    HG2  GLU  29           HG2      GLU  29  -1.917   0.272 -17.787
  229    HG3  GLU  29           HG3      GLU  29  -2.643   1.192 -19.109
  230    H    ARG  30           H        ARG  30  -4.638   4.068 -17.928
  231    HA   ARG  30           HA       ARG  30  -7.180   2.852 -18.067
  232    HB2  ARG  30           HB2      ARG  30  -6.503   5.334 -18.343
  233    HB3  ARG  30           HB3      ARG  30  -6.248   4.941 -20.045
  234    HG2  ARG  30           HG2      ARG  30  -8.756   3.833 -19.575
  235    HG3  ARG  30           HG3      ARG  30  -8.753   5.194 -18.446
  236    HD2  ARG  30           HD2      ARG  30  -9.695   6.082 -20.381
  237    HD3  ARG  30           HD3      ARG  30  -8.012   6.634 -20.464
  238    HE   ARG  30           HE       ARG  30  -8.388   4.078 -21.817
  239   HH11  ARG  30          HH11      ARG  30  -8.895   7.514 -22.383
  240   HH12  ARG  30          HH12      ARG  30  -8.982   7.279 -24.111
  241   HH21  ARG  30          HH21      ARG  30  -8.802   5.244 -24.976
  242   HH22  ARG  30          HH22      ARG  30  -8.568   3.867 -23.912
  243    HA   PRO  31           HA       PRO  31  -6.627  -0.094 -21.449
  244    HB2  PRO  31           HB2      PRO  31  -9.644   0.122 -21.348
  245    HB3  PRO  31           HB3      PRO  31  -8.638  -1.349 -21.583
  246    HG2  PRO  31           HG2      PRO  31  -9.680  -0.777 -19.163
  247    HG3  PRO  31           HG3      PRO  31  -7.970  -1.304 -19.307
  248    HD2  PRO  31           HD2      PRO  31  -9.069   1.494 -18.946
  249    HD3  PRO  31           HD3      PRO  31  -7.654   0.718 -18.175
  250    H    SER  32           H        SER  32  -6.779  -0.170 -23.706
  251    HA   SER  32           HA       SER  32  -8.316   1.742 -25.247
  252    HB2  SER  32           HB2      SER  32  -6.300   3.077 -24.567
  253    HB3  SER  32           HB3      SER  32  -5.271   1.852 -25.349
  254    HG   SER  32           HG       SER  32  -5.746   3.636 -26.719
  255    H    GLY  33           H        GLY  33  -8.218   1.255 -27.477
  256    HA2  GLY  33           HA2      GLY  33  -6.894  -1.116 -28.569
  257    HA3  GLY  33           HA3      GLY  33  -8.613  -1.371 -28.254
  258    H1   4N2 101           H1       4N2  34  -3.413  -0.031  -4.436
  259    H2   4N2 101           H2       4N2  34  -3.427  -2.464  -4.626
  260    H3   4N2 101           H3       4N2  34  -1.352  -2.845  -6.053
  261    H4   4N2 101           H4       4N2  34   0.147  -0.850  -6.433
  262    H5   4N2 101           H5       4N2  34  -1.358   0.900  -5.573
  263    H62  4N2 101           H62      4N2  34   0.931   1.605  -5.568
  264    H61  4N2 101           H61      4N2  34   0.141   2.233  -4.125
  265    HO2  4N2 101           H2O      4N2  34  -0.817  -2.653  -3.489
  266    HO3  4N2 101           H3O      4N2  34  -3.142  -1.825  -7.018
  267    HO4  4N2 101           H4O      4N2  34   1.178  -1.079  -4.219
  268    HO6  4N2 101           H6O      4N2  34   2.188   1.380  -3.591
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -15.990   5.462 -23.751
    2    H2   LYS   1           H2       LYS   1 -14.771   6.293 -24.459
    3    H3   LYS   1           H3       LYS   1 -15.867   7.080 -23.543
    4    HA   LYS   1           HA       LYS   1 -13.799   6.870 -22.384
    5    HB2  LYS   1           HB2      LYS   1 -14.605   5.754 -20.283
    6    HB3  LYS   1           HB3      LYS   1 -15.537   7.107 -20.887
    7    HG2  LYS   1           HG2      LYS   1 -17.308   5.692 -21.691
    8    HG3  LYS   1           HG3      LYS   1 -16.406   4.217 -21.353
    9    HD2  LYS   1           HD2      LYS   1 -17.253   6.196 -19.198
   10    HD3  LYS   1           HD3      LYS   1 -18.216   4.802 -19.709
   11    HE2  LYS   1           HE2      LYS   1 -16.317   3.284 -19.125
   12    HE3  LYS   1           HE3      LYS   1 -15.413   4.675 -18.503
   13    HZ1  LYS   1           HZ1      LYS   1 -17.170   5.007 -16.863
   14    HZ2  LYS   1           HZ2      LYS   1 -18.048   3.767 -17.474
   15    HZ3  LYS   1           HZ3      LYS   1 -16.634   3.457 -16.746
   16    H    LEU   2           H        LEU   2 -15.057   3.512 -22.182
   17    HA   LEU   2           HA       LEU   2 -12.257   2.520 -22.350
   18    HB2  LEU   2           HB2      LEU   2 -14.635   1.971 -20.591
   19    HB3  LEU   2           HB3      LEU   2 -13.647   0.608 -21.005
   20    HG   LEU   2           HG       LEU   2 -11.742   1.413 -19.917
   21   HD11  LEU   2          HD11      LEU   2 -11.645   3.756 -20.529
   22   HD12  LEU   2          HD12      LEU   2 -13.073   4.109 -19.509
   23   HD13  LEU   2          HD13      LEU   2 -11.540   3.572 -18.781
   24   HD21  LEU   2          HD21      LEU   2 -13.407   0.533 -18.418
   25   HD22  LEU   2          HD22      LEU   2 -12.638   1.897 -17.599
   26   HD23  LEU   2          HD23      LEU   2 -14.239   2.100 -18.309
   27    HA   PRO   3           HA       PRO   3 -13.564  -0.292 -25.587
   28    HB2  PRO   3           HB2      PRO   3 -11.949  -2.529 -24.623
   29    HB3  PRO   3           HB3      PRO   3 -11.657  -1.456 -26.019
   30    HG2  PRO   3           HG2      PRO   3 -10.124  -1.457 -23.677
   31    HG3  PRO   3           HG3      PRO   3 -10.266  -0.086 -24.814
   32    HD2  PRO   3           HD2      PRO   3 -11.719  -0.545 -22.219
   33    HD3  PRO   3           HD3      PRO   3 -11.030   0.968 -22.885
   34    HA   PRO   4           HA       PRO   4 -16.780  -3.006 -24.302
   35    HB2  PRO   4           HB2      PRO   4 -15.448  -5.281 -25.794
   36    HB3  PRO   4           HB3      PRO   4 -17.178  -4.798 -25.781
   37    HG2  PRO   4           HG2      PRO   4 -15.621  -4.016 -27.834
   38    HG3  PRO   4           HG3      PRO   4 -16.699  -2.813 -27.041
   39    HD2  PRO   4           HD2      PRO   4 -13.730  -3.254 -26.590
   40    HD3  PRO   4           HD3      PRO   4 -14.617  -1.720 -26.859
   41    H    GLY   5           H        GLY   5 -17.296  -4.034 -22.515
   42    HA2  GLY   5           HA2      GLY   5 -17.297  -5.491 -20.730
   43    HA3  GLY   5           HA3      GLY   5 -15.826  -6.256 -21.357
   44    H    TRP   6           H        TRP   6 -14.727  -3.195 -21.172
   45    HA   TRP   6           HA       TRP   6 -13.535  -3.609 -18.517
   46    HB2  TRP   6           HB2      TRP   6 -13.121  -1.488 -20.617
   47    HB3  TRP   6           HB3      TRP   6 -12.244  -1.561 -19.089
   48    HD1  TRP   6           HD1      TRP   6 -12.460  -3.116 -22.506
   49    HE1  TRP   6           HE1      TRP   6 -10.339  -4.466 -23.012
   50    HE3  TRP   6           HE3      TRP   6 -10.361  -3.106 -17.822
   51    HZ2  TRP   6           HZ2      TRP   6  -8.282  -5.762 -21.492
   52    HZ3  TRP   6           HZ3      TRP   6  -8.258  -4.398 -17.403
   53    HH2  TRP   6           HH2      TRP   6  -7.245  -5.753 -19.207
   54    H    GLU   7           H        GLU   7 -13.738  -2.378 -16.724
   55    HA   GLU   7           HA       GLU   7 -15.088   0.217 -16.782
   56    HB2  GLU   7           HB2      GLU   7 -16.910  -1.457 -16.379
   57    HB3  GLU   7           HB3      GLU   7 -16.065  -1.999 -14.935
   58    HG2  GLU   7           HG2      GLU   7 -17.969  -0.501 -14.456
   59    HG3  GLU   7           HG3      GLU   7 -16.456   0.135 -13.840
   60    H    LYS   8           H        LYS   8 -14.663   1.487 -14.822
   61    HA   LYS   8           HA       LYS   8 -12.035   1.048 -13.651
   62    HB2  LYS   8           HB2      LYS   8 -14.232   3.093 -13.209
   63    HB3  LYS   8           HB3      LYS   8 -12.810   3.009 -12.152
   64    HG2  LYS   8           HG2      LYS   8 -11.294   3.285 -14.023
   65    HG3  LYS   8           HG3      LYS   8 -12.642   3.216 -15.176
   66    HD2  LYS   8           HD2      LYS   8 -11.995   5.510 -14.958
   67    HD3  LYS   8           HD3      LYS   8 -13.553   5.331 -14.133
   68    HE2  LYS   8           HE2      LYS   8 -12.356   5.181 -11.947
   69    HE3  LYS   8           HE3      LYS   8 -10.807   5.324 -12.792
   70    HZ1  LYS   8           HZ1      LYS   8 -11.543   7.464 -11.908
   71    HZ2  LYS   8           HZ2      LYS   8 -11.493   7.536 -13.538
   72    HZ3  LYS   8           HZ3      LYS   8 -12.929   7.404 -12.766
   73    H    ARG   9           H        ARG   9 -11.481   0.494 -11.718
   74    HA   ARG   9           HA       ARG   9 -13.366  -0.480  -9.635
   75    HB2  ARG   9           HB2      ARG   9 -12.851  -2.308 -11.361
   76    HB3  ARG   9           HB3      ARG   9 -11.187  -2.293 -10.774
   77    HG2  ARG   9           HG2      ARG   9 -11.906  -3.056  -8.580
   78    HG3  ARG   9           HG3      ARG   9 -13.618  -2.762  -8.980
   79    HD2  ARG   9           HD2      ARG   9 -13.568  -4.526 -10.671
   80    HD3  ARG   9           HD3      ARG   9 -11.832  -4.796 -10.376
   81    HE   ARG   9           HE       ARG   9 -13.155  -5.074  -7.894
   82   HH11  ARG   9          HH11      ARG   9 -13.102  -6.847 -10.934
   83   HH12  ARG   9          HH12      ARG   9 -13.455  -8.354 -10.140
   84   HH21  ARG   9          HH21      ARG   9 -13.626  -7.027  -6.980
   85   HH22  ARG   9          HH22      ARG   9 -13.750  -8.451  -7.978
   86    H    MET  10           H        MET  10 -12.065  -1.167  -7.601
   87    HA   MET  10           HA       MET  10  -9.509   0.227  -7.295
   88    HB2  MET  10           HB2      MET  10 -10.259   1.782  -5.610
   89    HB3  MET  10           HB3      MET  10 -11.074   2.088  -7.143
   90    HG2  MET  10           HG2      MET  10 -12.286   0.644  -4.750
   91    HG3  MET  10           HG3      MET  10 -12.505   2.339  -5.124
   92    HE1  MET  10           HE1      MET  10 -13.006   2.351  -8.349
   93    HE2  MET  10           HE2      MET  10 -14.778   2.311  -8.315
   94    HE3  MET  10           HE3      MET  10 -13.895   3.307  -7.138
   95    H    PHE  11           H        PHE  11  -8.312  -0.318  -5.616
   96    HA   PHE  11           HA       PHE  11  -8.956  -2.702  -4.035
   97    HB2  PHE  11           HB2      PHE  11  -6.592  -0.788  -4.054
   98    HB3  PHE  11           HB3      PHE  11  -6.689  -2.223  -3.050
   99    HD1  PHE  11           HD1      PHE  11  -6.671  -4.505  -4.065
  100    HD2  PHE  11           HD2      PHE  11  -6.003  -0.954  -6.419
  101    HE1  PHE  11           HE1      PHE  11  -5.645  -5.881  -5.860
  102    HE2  PHE  11           HE2      PHE  11  -4.995  -2.332  -8.215
  103    HZ   PHE  11           HZ       PHE  11  -4.807  -4.798  -7.938
  104    H    ALA  12           H        ALA  12  -8.955  -2.767  -1.715
  105    HA   ALA  12           HA       ALA  12 -10.575  -0.822  -0.440
  106    HB1  ALA  12           HB1      ALA  12 -10.162  -2.189   1.570
  107    HB2  ALA  12           HB2      ALA  12 -10.477  -3.213   0.158
  108    HB3  ALA  12           HB3      ALA  12  -8.812  -3.007   0.756
  109    H    ASN  13           H        ASN  13  -7.143  -0.780  -0.875
  110    HA   ASN  13           HA       ASN  13  -6.577   1.103   1.299
  111    HB2  ASN  13           HB2      ASN  13  -4.300   1.067   0.435
  112    HB3  ASN  13           HB3      ASN  13  -4.935  -0.574   0.620
  113   HD21  ASN  13          HD21      ASN  13  -3.247  -1.271  -0.811
  114    H    GLY  14           H        GLY  14  -8.184   1.555  -1.598
  115    HA2  GLY  14           HA2      GLY  14  -9.000   3.597  -2.378
  116    HA3  GLY  14           HA3      GLY  14  -7.700   4.475  -1.554
  117    H    THR  15           H        THR  15  -6.617   1.800  -3.509
  118    HA   THR  15           HA       THR  15  -5.532   3.686  -5.540
  119    HB   THR  15           HB       THR  15  -4.948   0.734  -5.139
  120    HG1  THR  15           HG1      THR  15  -4.232   1.788  -3.423
  121   HG21  THR  15          HG21      THR  15  -3.503   2.867  -6.771
  122   HG22  THR  15          HG22      THR  15  -2.895   1.228  -6.446
  123   HG23  THR  15          HG23      THR  15  -4.355   1.443  -7.415
  124    H    VAL  16           H        VAL  16  -6.300   3.848  -7.571
  125    HA   VAL  16           HA       VAL  16  -8.629   2.208  -8.357
  126    HB   VAL  16           HB       VAL  16  -7.510   4.837  -9.369
  127   HG11  VAL  16          HG11      VAL  16  -8.551   3.742 -11.286
  128   HG12  VAL  16          HG12      VAL  16  -9.992   3.347 -10.315
  129   HG13  VAL  16          HG13      VAL  16  -9.593   5.036 -10.698
  130   HG21  VAL  16          HG21      VAL  16 -10.087   4.144  -7.890
  131   HG22  VAL  16          HG22      VAL  16  -8.671   4.943  -7.173
  132   HG23  VAL  16          HG23      VAL  16  -9.598   5.761  -8.434
  133    H    TYR  17           H        TYR  17  -8.815   1.072 -10.202
  134    HA   TYR  17           HA       TYR  17  -6.674   0.893 -12.193
  135    HB2  TYR  17           HB2      TYR  17  -6.278  -1.447 -11.953
  136    HB3  TYR  17           HB3      TYR  17  -5.973  -0.695 -10.416
  137    HD1  TYR  17           HD1      TYR  17  -7.632  -0.989  -8.516
  138    HD2  TYR  17           HD2      TYR  17  -7.894  -3.209 -12.205
  139    HE1  TYR  17           HE1      TYR  17  -8.907  -2.793  -7.356
  140    HE2  TYR  17           HE2      TYR  17  -9.225  -4.967 -11.059
  141    HH   TYR  17           HH       TYR  17  -9.883  -5.783  -9.005
  142    H    TYR  18           H        TYR  18  -7.439  -1.082 -13.747
  143    HA   TYR  18           HA       TYR  18 -10.325  -0.649 -14.403
  144    HB2  TYR  18           HB2      TYR  18  -7.955  -0.913 -16.288
  145    HB3  TYR  18           HB3      TYR  18  -9.654  -0.737 -16.754
  146    HD1  TYR  18           HD1      TYR  18  -6.740   0.999 -15.197
  147    HD2  TYR  18           HD2      TYR  18 -10.743   1.412 -16.727
  148    HE1  TYR  18           HE1      TYR  18  -6.567   3.469 -14.968
  149    HE2  TYR  18           HE2      TYR  18 -10.567   3.886 -16.522
  150    HH   TYR  18           HH       TYR  18  -7.642   5.471 -15.211
  151    H    PHE  19           H        PHE  19 -11.521  -2.420 -14.804
  152    HA   PHE  19           HA       PHE  19 -10.200  -5.098 -14.976
  153    HB2  PHE  19           HB2      PHE  19 -10.784  -4.884 -12.703
  154    HB3  PHE  19           HB3      PHE  19 -12.338  -4.138 -13.064
  155    HD1  PHE  19           HD1      PHE  19 -10.444  -7.345 -13.104
  156    HD2  PHE  19           HD2      PHE  19 -14.314  -5.485 -13.552
  157    HE1  PHE  19           HE1      PHE  19 -11.529  -9.572 -12.994
  158    HE2  PHE  19           HE2      PHE  19 -15.393  -7.708 -13.406
  159    HZ   PHE  19           HZ       PHE  19 -14.007  -9.759 -13.148
  160    H    ASN  20           H        ASN  20 -11.125  -6.565 -16.278
  161    HA   ASN  20           HA       ASN  20 -13.402  -5.669 -17.967
  162    HB2  ASN  20           HB2      ASN  20 -11.174  -6.160 -19.008
  163    HB3  ASN  20           HB3      ASN  20 -11.366  -7.845 -18.514
  164   HD21  ASN  20          HD21      ASN  20 -11.493  -6.103 -21.186
  165   HD22  ASN  20          HD22      ASN  20 -12.886  -6.804 -21.991
  166    H    HIS  21           H        HIS  21 -15.345  -6.477 -17.437
  167    HA   HIS  21           HA       HIS  21 -15.523  -8.760 -15.618
  168    HB2  HIS  21           HB2      HIS  21 -17.633  -8.093 -15.155
  169    HB3  HIS  21           HB3      HIS  21 -16.923  -6.555 -15.640
  170    HD2  HIS  21           HD2      HIS  21 -17.832  -5.463 -17.962
  171    HE1  HIS  21           HE1      HIS  21 -21.063  -8.172 -18.580
  172    HE2  HIS  21           HE2      HIS  21 -20.032  -5.965 -19.318
  173    H    ILE  22           H        ILE  22 -15.484  -8.521 -19.006
  174    HA   ILE  22           HA       ILE  22 -17.050 -10.974 -19.527
  175    HB   ILE  22           HB       ILE  22 -15.400  -9.205 -21.370
  176   HG12  ILE  22          HG12      ILE  22 -17.310  -7.960 -20.410
  177   HG13  ILE  22          HG13      ILE  22 -17.449  -8.205 -22.148
  178   HG21  ILE  22          HG21      ILE  22 -17.306 -11.478 -22.018
  179   HG22  ILE  22          HG22      ILE  22 -16.714 -10.291 -23.204
  180   HG23  ILE  22          HG23      ILE  22 -15.575 -11.363 -22.390
  181   HD11  ILE  22          HD11      ILE  22 -19.604  -8.474 -21.016
  182   HD12  ILE  22          HD12      ILE  22 -19.122  -9.994 -21.781
  183   HD13  ILE  22          HD13      ILE  22 -18.955  -9.788 -20.019
  184    H    THR  23           H        THR  23 -13.649  -9.909 -19.526
  185    HA   THR  23           HA       THR  23 -12.731 -12.685 -20.122
  186    HB   THR  23           HB       THR  23 -10.694 -11.695 -20.907
  187    HG1  THR  23           HG1      THR  23 -10.690  -9.321 -20.919
  188   HG21  THR  23          HG21      THR  23 -12.924  -9.884 -21.933
  189   HG22  THR  23          HG22      THR  23 -11.427 -10.351 -22.760
  190   HG23  THR  23          HG23      THR  23 -12.683 -11.567 -22.464
  191    H    ASN  24           H        ASN  24 -13.083 -10.813 -17.405
  192    HA   ASN  24           HA       ASN  24 -12.222 -10.577 -15.409
  193    HB2  ASN  24           HB2      ASN  24 -11.663 -12.467 -14.108
  194    HB3  ASN  24           HB3      ASN  24 -12.969 -12.886 -15.223
  195   HD21  ASN  24          HD21      ASN  24  -9.380 -13.054 -14.978
  196   HD22  ASN  24          HD22      ASN  24  -9.279 -14.669 -15.703
  197    H    ALA  25           H        ALA  25 -10.411  -9.854 -17.666
  198    HA   ALA  25           HA       ALA  25  -7.723  -9.980 -16.510
  199    HB1  ALA  25           HB1      ALA  25  -7.129  -8.595 -18.448
  200    HB2  ALA  25           HB2      ALA  25  -8.114  -9.981 -18.956
  201    HB3  ALA  25           HB3      ALA  25  -8.845  -8.363 -18.838
  202    H    SER  26           H        SER  26  -6.484  -8.067 -15.889
  203    HA   SER  26           HA       SER  26  -7.942  -5.590 -15.330
  204    HB2  SER  26           HB2      SER  26  -7.218  -5.429 -12.998
  205    HB3  SER  26           HB3      SER  26  -8.305  -6.798 -13.249
  206    HG   SER  26           HG       SER  26  -6.498  -7.363 -11.969
  207    H    GLN  27           H        GLN  27  -6.667  -3.758 -15.052
  208    HA   GLN  27           HA       GLN  27  -3.751  -3.922 -15.108
  209    HB2  GLN  27           HB2      GLN  27  -3.432  -2.771 -17.193
  210    HB3  GLN  27           HB3      GLN  27  -4.330  -4.266 -17.473
  211    HG2  GLN  27           HG2      GLN  27  -6.382  -3.091 -17.855
  212    HG3  GLN  27           HG3      GLN  27  -5.687  -1.559 -17.339
  213   HE21  GLN  27          HE21      GLN  27  -4.425  -0.372 -18.806
  214   HE22  GLN  27          HE22      GLN  27  -4.068  -0.928 -20.451
  215    H    PHE  28           H        PHE  28  -2.695  -1.861 -14.701
  216    HA   PHE  28           HA       PHE  28  -4.305  -0.281 -12.867
  217    HB2  PHE  28           HB2      PHE  28  -2.185  -1.053 -12.148
  218    HB3  PHE  28           HB3      PHE  28  -1.375  -0.430 -13.593
  219    HD1  PHE  28           HD1      PHE  28  -3.044   0.588 -10.406
  220    HD2  PHE  28           HD2      PHE  28  -0.647   1.816 -13.768
  221    HE1  PHE  28           HE1      PHE  28  -2.551   2.744  -9.264
  222    HE2  PHE  28           HE2      PHE  28  -0.159   3.982 -12.635
  223    HZ   PHE  28           HZ       PHE  28  -1.108   4.441 -10.373
  224    H    GLU  29           H        GLU  29  -2.547   0.485 -15.894
  225    HA   GLU  29           HA       GLU  29  -3.679   3.235 -15.939
  226    HB2  GLU  29           HB2      GLU  29  -2.295   3.621 -17.845
  227    HB3  GLU  29           HB3      GLU  29  -1.319   2.913 -16.554
  228    HG2  GLU  29           HG2      GLU  29  -1.555   0.665 -17.702
  229    HG3  GLU  29           HG3      GLU  29  -2.377   1.480 -19.036
  230    H    ARG  30           H        ARG  30  -4.843   3.941 -18.011
  231    HA   ARG  30           HA       ARG  30  -7.082   2.241 -18.116
  232    HB2  ARG  30           HB2      ARG  30  -8.203   3.837 -19.494
  233    HB3  ARG  30           HB3      ARG  30  -7.358   4.577 -18.164
  234    HG2  ARG  30           HG2      ARG  30  -7.197   6.012 -19.997
  235    HG3  ARG  30           HG3      ARG  30  -5.578   5.381 -19.682
  236    HD2  ARG  30           HD2      ARG  30  -6.233   5.666 -22.116
  237    HD3  ARG  30           HD3      ARG  30  -5.581   4.102 -21.678
  238    HE   ARG  30           HE       ARG  30  -7.544   3.115 -22.364
  239   HH11  ARG  30          HH11      ARG  30  -9.519   2.870 -23.048
  240   HH12  ARG  30          HH12      ARG  30 -10.677   4.212 -23.018
  241   HH21  ARG  30          HH21      ARG  30  -8.443   6.474 -21.764
  242   HH22  ARG  30          HH22      ARG  30 -10.072   6.171 -22.331
  243    HA   PRO  31           HA       PRO  31  -6.281  -0.568 -21.331
  244    HB2  PRO  31           HB2      PRO  31  -8.709  -1.712 -21.710
  245    HB3  PRO  31           HB3      PRO  31  -7.832  -1.828 -20.151
  246    HG2  PRO  31           HG2      PRO  31 -10.006   0.150 -20.911
  247    HG3  PRO  31           HG3      PRO  31  -9.918  -0.876 -19.441
  248    HD2  PRO  31           HD2      PRO  31  -9.093   1.717 -19.445
  249    HD3  PRO  31           HD3      PRO  31  -8.240   0.447 -18.508
  250    H    SER  32           H        SER  32  -6.412  -1.061 -23.520
  251    HA   SER  32           HA       SER  32  -7.741   0.962 -25.283
  252    HB2  SER  32           HB2      SER  32  -5.791   0.742 -26.740
  253    HB3  SER  32           HB3      SER  32  -5.325   1.250 -25.100
  254    HG   SER  32           HG       SER  32  -3.984  -0.426 -25.923
  255    H    GLY  33           H        GLY  33  -7.775  -2.365 -24.591
  256    HA2  GLY  33           HA2      GLY  33  -9.701  -3.063 -26.515
  257    HA3  GLY  33           HA3      GLY  33  -8.143  -3.515 -27.207
  258    H1   4N2 101           H1       4N2  34  -3.583  -0.510  -3.658
  259    H2   4N2 101           H2       4N2  34  -4.098  -2.914  -3.583
  260    H3   4N2 101           H3       4N2  34  -2.099  -3.825  -4.846
  261    H4   4N2 101           H4       4N2  34  -0.215  -2.210  -5.321
  262    H5   4N2 101           H5       4N2  34  -1.314  -0.108  -4.691
  263    H62  4N2 101           H62      4N2  34   0.348   0.949  -3.158
  264    H61  4N2 101           H61      4N2  34   1.057  -0.635  -2.840
  265    HO2  4N2 101           H2O      4N2  34  -3.310  -3.687  -1.658
  266    HO3  4N2 101           H3O      4N2  34  -3.581  -2.592  -6.029
  267    HO4  4N2 101           H4O      4N2  34  -0.663  -3.248  -2.700
  268    HO6  4N2 101           H6O      4N2  34   2.150   0.503  -4.543
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1 -17.067   6.021 -23.366
    2    H2   LYS   1           H2       LYS   1 -16.832   4.518 -22.772
    3    H3   LYS   1           H3       LYS   1 -16.339   4.889 -24.290
    4    HA   LYS   1           HA       LYS   1 -14.731   6.457 -23.486
    5    HB2  LYS   1           HB2      LYS   1 -15.948   7.114 -21.455
    6    HB3  LYS   1           HB3      LYS   1 -15.574   5.562 -20.698
    7    HG2  LYS   1           HG2      LYS   1 -13.148   6.082 -20.816
    8    HG3  LYS   1           HG3      LYS   1 -13.508   7.601 -21.658
    9    HD2  LYS   1           HD2      LYS   1 -14.739   8.419 -19.678
   10    HD3  LYS   1           HD3      LYS   1 -14.426   6.884 -18.834
   11    HE2  LYS   1           HE2      LYS   1 -11.998   7.276 -18.962
   12    HE3  LYS   1           HE3      LYS   1 -12.263   8.764 -19.884
   13    HZ1  LYS   1           HZ1      LYS   1 -13.186   8.318 -17.098
   14    HZ2  LYS   1           HZ2      LYS   1 -11.903   9.234 -17.530
   15    HZ3  LYS   1           HZ3      LYS   1 -13.410   9.690 -17.956
   16    H    LEU   2           H        LEU   2 -14.908   3.517 -21.370
   17    HA   LEU   2           HA       LEU   2 -12.281   2.644 -22.293
   18    HB2  LEU   2           HB2      LEU   2 -14.351   1.208 -20.574
   19    HB3  LEU   2           HB3      LEU   2 -12.724   0.679 -20.885
   20    HG   LEU   2           HG       LEU   2 -12.453   1.466 -18.824
   21   HD11  LEU   2          HD11      LEU   2 -10.854   2.663 -20.326
   22   HD12  LEU   2          HD12      LEU   2 -11.937   4.070 -20.299
   23   HD13  LEU   2          HD13      LEU   2 -11.190   3.498 -18.798
   24   HD21  LEU   2          HD21      LEU   2 -14.708   2.343 -18.510
   25   HD22  LEU   2          HD22      LEU   2 -13.471   3.381 -17.788
   26   HD23  LEU   2          HD23      LEU   2 -14.239   3.866 -19.312
   27    HA   PRO   3           HA       PRO   3 -13.684  -0.013 -25.609
   28    HB2  PRO   3           HB2      PRO   3 -11.823  -2.043 -25.611
   29    HB3  PRO   3           HB3      PRO   3 -11.485  -0.370 -26.155
   30    HG2  PRO   3           HG2      PRO   3 -10.880  -1.630 -23.481
   31    HG3  PRO   3           HG3      PRO   3  -9.816  -0.617 -24.487
   32    HD2  PRO   3           HD2      PRO   3 -11.251   0.341 -22.366
   33    HD3  PRO   3           HD3      PRO   3 -10.886   1.351 -23.789
   34    HA   PRO   4           HA       PRO   4 -16.537  -2.901 -24.361
   35    HB2  PRO   4           HB2      PRO   4 -15.251  -5.135 -25.951
   36    HB3  PRO   4           HB3      PRO   4 -16.984  -4.671 -25.857
   37    HG2  PRO   4           HG2      PRO   4 -15.505  -3.817 -27.943
   38    HG3  PRO   4           HG3      PRO   4 -16.576  -2.649 -27.094
   39    HD2  PRO   4           HD2      PRO   4 -13.590  -3.043 -26.779
   40    HD3  PRO   4           HD3      PRO   4 -14.522  -1.520 -26.927
   41    H    GLY   5           H        GLY   5 -17.054  -3.983 -22.608
   42    HA2  GLY   5           HA2      GLY   5 -17.053  -5.566 -20.917
   43    HA3  GLY   5           HA3      GLY   5 -15.491  -6.185 -21.479
   44    H    TRP   6           H        TRP   6 -14.576  -3.119 -21.214
   45    HA   TRP   6           HA       TRP   6 -13.447  -3.569 -18.559
   46    HB2  TRP   6           HB2      TRP   6 -13.005  -1.471 -20.665
   47    HB3  TRP   6           HB3      TRP   6 -12.178  -1.466 -19.104
   48    HD1  TRP   6           HD1      TRP   6 -12.263  -3.191 -22.469
   49    HE1  TRP   6           HE1      TRP   6 -10.209  -4.688 -22.778
   50    HE3  TRP   6           HE3      TRP   6 -10.440  -3.057 -17.678
   51    HZ2  TRP   6           HZ2      TRP   6  -8.223  -5.912 -21.110
   52    HZ3  TRP   6           HZ3      TRP   6  -8.431  -4.410 -17.078
   53    HH2  TRP   6           HH2      TRP   6  -7.341  -5.857 -18.765
   54    H    GLU   7           H        GLU   7 -13.688  -2.484 -16.736
   55    HA   GLU   7           HA       GLU   7 -15.459  -0.103 -16.483
   56    HB2  GLU   7           HB2      GLU   7 -16.785  -2.215 -16.178
   57    HB3  GLU   7           HB3      GLU   7 -15.674  -2.696 -14.892
   58    HG2  GLU   7           HG2      GLU   7 -16.368  -0.666 -13.591
   59    HG3  GLU   7           HG3      GLU   7 -17.482  -0.240 -14.892
   60    H    LYS   8           H        LYS   8 -14.947   1.220 -14.650
   61    HA   LYS   8           HA       LYS   8 -12.267   0.961 -13.537
   62    HB2  LYS   8           HB2      LYS   8 -14.529   2.947 -13.167
   63    HB3  LYS   8           HB3      LYS   8 -13.130   2.936 -12.082
   64    HG2  LYS   8           HG2      LYS   8 -11.589   3.166 -13.964
   65    HG3  LYS   8           HG3      LYS   8 -12.949   3.134 -15.105
   66    HD2  LYS   8           HD2      LYS   8 -12.267   5.419 -14.839
   67    HD3  LYS   8           HD3      LYS   8 -13.820   5.241 -14.003
   68    HE2  LYS   8           HE2      LYS   8 -12.600   5.011 -11.834
   69    HE3  LYS   8           HE3      LYS   8 -11.059   5.164 -12.692
   70    HZ1  LYS   8           HZ1      LYS   8 -11.770   7.279 -11.726
   71    HZ2  LYS   8           HZ2      LYS   8 -11.723   7.408 -13.351
   72    HZ3  LYS   8           HZ3      LYS   8 -13.160   7.263 -12.580
   73    H    ARG   9           H        ARG   9 -11.637   0.558 -11.605
   74    HA   ARG   9           HA       ARG   9 -13.436  -0.269  -9.374
   75    HB2  ARG   9           HB2      ARG   9 -11.054  -1.890 -10.367
   76    HB3  ARG   9           HB3      ARG   9 -11.962  -2.257  -8.895
   77    HG2  ARG   9           HG2      ARG   9 -13.010  -2.320 -11.666
   78    HG3  ARG   9           HG3      ARG   9 -12.532  -3.751 -10.738
   79    HD2  ARG   9           HD2      ARG   9 -14.334  -3.385  -9.129
   80    HD3  ARG   9           HD3      ARG   9 -14.775  -1.855  -9.902
   81    HE   ARG   9           HE       ARG   9 -15.907  -2.953 -11.576
   82   HH11  ARG   9          HH11      ARG   9 -17.008  -4.546 -12.435
   83   HH12  ARG   9          HH12      ARG   9 -16.673  -6.226 -12.021
   84   HH21  ARG   9          HH21      ARG   9 -14.145  -5.438  -9.819
   85   HH22  ARG   9          HH22      ARG   9 -15.046  -6.711 -10.601
   86    H    MET  10           H        MET  10 -11.941  -0.934  -7.582
   87    HA   MET  10           HA       MET  10  -9.636   0.800  -7.104
   88    HB2  MET  10           HB2      MET  10 -11.577   2.364  -6.816
   89    HB3  MET  10           HB3      MET  10 -12.152   1.344  -5.480
   90    HG2  MET  10           HG2      MET  10  -9.974   1.783  -4.308
   91    HG3  MET  10           HG3      MET  10  -9.528   2.886  -5.605
   92    HE1  MET  10           HE1      MET  10 -11.906   5.916  -5.092
   93    HE2  MET  10           HE2      MET  10 -10.425   5.321  -5.869
   94    HE3  MET  10           HE3      MET  10 -12.003   4.611  -6.292
   95    H    PHE  11           H        PHE  11  -8.309   0.044  -5.568
   96    HA   PHE  11           HA       PHE  11  -8.857  -2.460  -4.150
   97    HB2  PHE  11           HB2      PHE  11  -6.489  -0.547  -4.161
   98    HB3  PHE  11           HB3      PHE  11  -6.526  -2.061  -3.280
   99    HD1  PHE  11           HD1      PHE  11  -6.819  -4.257  -4.557
  100    HD2  PHE  11           HD2      PHE  11  -5.810  -0.528  -6.474
  101    HE1  PHE  11           HE1      PHE  11  -5.913  -5.498  -6.508
  102    HE2  PHE  11           HE2      PHE  11  -4.903  -1.771  -8.417
  103    HZ   PHE  11           HZ       PHE  11  -4.955  -4.258  -8.441
  104    H    ALA  12           H        ALA  12  -8.586  -2.713  -1.824
  105    HA   ALA  12           HA       ALA  12 -10.158  -0.965  -0.254
  106    HB1  ALA  12           HB1      ALA  12  -8.118  -3.067   0.603
  107    HB2  ALA  12           HB2      ALA  12  -9.422  -2.401   1.611
  108    HB3  ALA  12           HB3      ALA  12  -9.821  -3.371   0.181
  109    H    ASN  13           H        ASN  13  -6.789  -0.663  -1.023
  110    HA   ASN  13           HA       ASN  13  -6.177   1.185   1.182
  111    HB2  ASN  13           HB2      ASN  13  -3.942   1.243   0.221
  112    HB3  ASN  13           HB3      ASN  13  -4.509  -0.419   0.423
  113   HD21  ASN  13          HD21      ASN  13  -3.106  -1.290  -1.108
  114    H    GLY  14           H        GLY  14  -7.952   1.633  -1.604
  115    HA2  GLY  14           HA2      GLY  14  -8.867   3.652  -2.308
  116    HA3  GLY  14           HA3      GLY  14  -7.564   4.561  -1.527
  117    H    THR  15           H        THR  15  -6.410   2.013  -3.572
  118    HA   THR  15           HA       THR  15  -5.543   3.987  -5.623
  119    HB   THR  15           HB       THR  15  -4.739   1.080  -5.253
  120    HG1  THR  15           HG1      THR  15  -4.020   2.141  -3.567
  121   HG21  THR  15          HG21      THR  15  -2.753   1.727  -6.606
  122   HG22  THR  15          HG22      THR  15  -4.251   1.801  -7.537
  123   HG23  THR  15          HG23      THR  15  -3.508   3.304  -6.935
  124    H    VAL  16           H        VAL  16  -6.132   3.914  -7.781
  125    HA   VAL  16           HA       VAL  16  -8.608   2.410  -8.372
  126    HB   VAL  16           HB       VAL  16  -7.259   4.818  -9.616
  127   HG11  VAL  16          HG11      VAL  16  -9.254   5.099 -11.037
  128   HG12  VAL  16          HG12      VAL  16  -8.340   3.660 -11.480
  129   HG13  VAL  16          HG13      VAL  16  -9.843   3.499 -10.538
  130   HG21  VAL  16          HG21      VAL  16  -9.920   4.451  -8.171
  131   HG22  VAL  16          HG22      VAL  16  -8.459   5.190  -7.476
  132   HG23  VAL  16          HG23      VAL  16  -9.287   5.980  -8.821
  133    H    TYR  17           H        TYR  17  -8.958   1.132 -10.141
  134    HA   TYR  17           HA       TYR  17  -6.841   0.618 -12.098
  135    HB2  TYR  17           HB2      TYR  17  -6.646  -1.724 -11.753
  136    HB3  TYR  17           HB3      TYR  17  -6.289  -0.934 -10.249
  137    HD1  TYR  17           HD1      TYR  17  -7.895  -1.087  -8.322
  138    HD2  TYR  17           HD2      TYR  17  -8.502  -3.302 -11.976
  139    HE1  TYR  17           HE1      TYR  17  -9.277  -2.764  -7.095
  140    HE2  TYR  17           HE2      TYR  17  -9.889  -4.949 -10.754
  141    HH   TYR  17           HH       TYR  17 -10.631  -5.642  -8.702
  142    H    TYR  18           H        TYR  18  -7.698  -1.248 -13.624
  143    HA   TYR  18           HA       TYR  18 -10.593  -0.824 -14.217
  144    HB2  TYR  18           HB2      TYR  18  -8.307  -1.039 -16.207
  145    HB3  TYR  18           HB3      TYR  18 -10.025  -0.867 -16.591
  146    HD1  TYR  18           HD1      TYR  18  -7.056   0.861 -15.145
  147    HD2  TYR  18           HD2      TYR  18 -11.105   1.303 -16.571
  148    HE1  TYR  18           HE1      TYR  18  -6.836   3.329 -14.988
  149    HE2  TYR  18           HE2      TYR  18 -10.868   3.780 -16.437
  150    HH   TYR  18           HH       TYR  18  -7.895   5.337 -15.215
  151    H    PHE  19           H        PHE  19 -11.746  -2.612 -14.726
  152    HA   PHE  19           HA       PHE  19 -10.386  -5.277 -14.872
  153    HB2  PHE  19           HB2      PHE  19 -11.180  -5.026 -12.630
  154    HB3  PHE  19           HB3      PHE  19 -12.735  -4.392 -13.173
  155    HD1  PHE  19           HD1      PHE  19 -10.668  -7.461 -12.846
  156    HD2  PHE  19           HD2      PHE  19 -14.534  -5.875 -13.927
  157    HE1  PHE  19           HE1      PHE  19 -11.633  -9.744 -12.754
  158    HE2  PHE  19           HE2      PHE  19 -15.505  -8.146 -13.767
  159    HZ   PHE  19           HZ       PHE  19 -14.061 -10.087 -13.196
  160    H    ASN  20           H        ASN  20 -11.226  -6.726 -16.289
  161    HA   ASN  20           HA       ASN  20 -13.402  -5.783 -18.079
  162    HB2  ASN  20           HB2      ASN  20 -11.149  -6.288 -19.022
  163    HB3  ASN  20           HB3      ASN  20 -11.370  -7.978 -18.546
  164   HD21  ASN  20          HD21      ASN  20 -11.421  -6.163 -21.198
  165   HD22  ASN  20          HD22      ASN  20 -12.758  -6.897 -22.074
  166    H    HIS  21           H        HIS  21 -15.384  -6.587 -17.718
  167    HA   HIS  21           HA       HIS  21 -15.756  -8.842 -15.915
  168    HB2  HIS  21           HB2      HIS  21 -17.933  -8.201 -15.758
  169    HB3  HIS  21           HB3      HIS  21 -17.166  -6.666 -16.156
  170    HD2  HIS  21           HD2      HIS  21 -17.911  -5.493 -18.450
  171    HE1  HIS  21           HE1      HIS  21 -20.742  -8.408 -19.732
  172    HE2  HIS  21           HE2      HIS  21 -19.826  -6.073 -20.159
  173    H    ILE  22           H        ILE  22 -15.393  -8.678 -19.301
  174    HA   ILE  22           HA       ILE  22 -16.938 -11.127 -19.897
  175    HB   ILE  22           HB       ILE  22 -15.257  -9.333 -21.695
  176   HG12  ILE  22          HG12      ILE  22 -18.283  -9.396 -21.247
  177   HG13  ILE  22          HG13      ILE  22 -17.181  -8.126 -20.686
  178   HG21  ILE  22          HG21      ILE  22 -17.286 -11.494 -22.416
  179   HG22  ILE  22          HG22      ILE  22 -16.432 -10.439 -23.564
  180   HG23  ILE  22          HG23      ILE  22 -15.523 -11.608 -22.628
  181   HD11  ILE  22          HD11      ILE  22 -18.253  -7.265 -22.586
  182   HD12  ILE  22          HD12      ILE  22 -16.590  -7.641 -23.082
  183   HD13  ILE  22          HD13      ILE  22 -17.933  -8.713 -23.555
  184    H    THR  23           H        THR  23 -13.553 -10.025 -19.788
  185    HA   THR  23           HA       THR  23 -12.570 -12.781 -20.359
  186    HB   THR  23           HB       THR  23 -10.492 -11.755 -20.986
  187    HG1  THR  23           HG1      THR  23 -10.575  -9.358 -20.969
  188   HG21  THR  23          HG21      THR  23 -12.376 -11.624 -22.670
  189   HG22  THR  23          HG22      THR  23 -12.676  -9.956 -22.128
  190   HG23  THR  23          HG23      THR  23 -11.121 -10.388 -22.863
  191    H    ASN  24           H        ASN  24 -13.055 -10.867 -17.644
  192    HA   ASN  24           HA       ASN  24 -12.381 -10.819 -15.535
  193    HB2  ASN  24           HB2      ASN  24 -11.180 -13.574 -15.929
  194    HB3  ASN  24           HB3      ASN  24 -11.670 -12.823 -14.403
  195   HD21  ASN  24          HD21      ASN  24 -14.031 -12.353 -14.125
  196   HD22  ASN  24          HD22      ASN  24 -15.168 -13.420 -14.953
  197    H    ALA  25           H        ALA  25 -10.400 -10.011 -17.766
  198    HA   ALA  25           HA       ALA  25  -7.800 -10.076 -16.466
  199    HB1  ALA  25           HB1      ALA  25  -8.850  -8.386 -18.776
  200    HB2  ALA  25           HB2      ALA  25  -7.147  -8.610 -18.325
  201    HB3  ALA  25           HB3      ALA  25  -8.090  -9.988 -18.923
  202    H    SER  26           H        SER  26  -6.605  -8.130 -15.803
  203    HA   SER  26           HA       SER  26  -8.117  -5.704 -15.236
  204    HB2  SER  26           HB2      SER  26  -7.455  -5.518 -12.885
  205    HB3  SER  26           HB3      SER  26  -8.547  -6.873 -13.158
  206    HG   SER  26           HG       SER  26  -6.794  -8.275 -13.056
  207    H    GLN  27           H        GLN  27  -6.864  -3.854 -14.907
  208    HA   GLN  27           HA       GLN  27  -3.941  -4.008 -14.947
  209    HB2  GLN  27           HB2      GLN  27  -3.621  -2.804 -16.997
  210    HB3  GLN  27           HB3      GLN  27  -4.530  -4.281 -17.327
  211    HG2  GLN  27           HG2      GLN  27  -6.582  -3.050 -17.639
  212    HG3  GLN  27           HG3      GLN  27  -5.851  -1.559 -17.067
  213   HE21  GLN  27          HE21      GLN  27  -4.569  -0.689 -20.234
  214   HE22  GLN  27          HE22      GLN  27  -5.031  -0.220 -18.589
  215    H    PHE  28           H        PHE  28  -2.899  -1.934 -14.555
  216    HA   PHE  28           HA       PHE  28  -4.495  -0.319 -12.693
  217    HB2  PHE  28           HB2      PHE  28  -2.389  -1.040 -11.913
  218    HB3  PHE  28           HB3      PHE  28  -1.570  -0.574 -13.411
  219    HD1  PHE  28           HD1      PHE  28  -0.699   1.601 -13.752
  220    HD2  PHE  28           HD2      PHE  28  -3.217   0.809 -10.342
  221    HE1  PHE  28           HE1      PHE  28  -0.116   3.825 -12.809
  222    HE2  PHE  28           HE2      PHE  28  -2.626   3.031  -9.394
  223    HZ   PHE  28           HZ       PHE  28  -1.075   4.540 -10.622
  224    H    GLU  29           H        GLU  29  -2.694   0.269 -15.718
  225    HA   GLU  29           HA       GLU  29  -3.529   3.086 -15.871
  226    HB2  GLU  29           HB2      GLU  29  -2.270   3.152 -17.910
  227    HB3  GLU  29           HB3      GLU  29  -1.296   2.462 -16.625
  228    HG2  GLU  29           HG2      GLU  29  -2.748   0.647 -18.590
  229    HG3  GLU  29           HG3      GLU  29  -1.271   1.465 -19.057
  230    H    ARG  30           H        ARG  30  -4.545   3.846 -18.037
  231    HA   ARG  30           HA       ARG  30  -7.169   2.658 -18.014
  232    HB2  ARG  30           HB2      ARG  30  -6.455   5.163 -18.283
  233    HB3  ARG  30           HB3      ARG  30  -6.293   4.773 -19.994
  234    HG2  ARG  30           HG2      ARG  30  -8.814   3.719 -19.327
  235    HG3  ARG  30           HG3      ARG  30  -8.684   5.141 -18.289
  236    HD2  ARG  30           HD2      ARG  30  -9.624   6.130 -20.071
  237    HD3  ARG  30           HD3      ARG  30  -7.943   6.312 -20.591
  238    HE   ARG  30           HE       ARG  30  -8.620   3.872 -21.670
  239   HH11  ARG  30          HH11      ARG  30 -11.067   4.343 -23.986
  240   HH12  ARG  30          HH12      ARG  30  -9.821   3.278 -23.325
  241   HH21  ARG  30          HH21      ARG  30 -11.232   6.393 -23.291
  242   HH22  ARG  30          HH22      ARG  30 -10.288   6.963 -21.935
  243    HA   PRO  31           HA       PRO  31  -6.414  -0.087 -21.526
  244    HB2  PRO  31           HB2      PRO  31  -8.956  -1.044 -21.954
  245    HB3  PRO  31           HB3      PRO  31  -7.895  -1.595 -20.620
  246    HG2  PRO  31           HG2      PRO  31 -10.059   0.528 -20.513
  247    HG3  PRO  31           HG3      PRO  31  -9.810  -0.850 -19.399
  248    HD2  PRO  31           HD2      PRO  31  -8.909   1.610 -18.786
  249    HD3  PRO  31           HD3      PRO  31  -7.906   0.173 -18.418
  250    H    SER  32           H        SER  32  -6.258   0.345 -23.635
  251    HA   SER  32           HA       SER  32  -6.131   1.632 -25.462
  252    HB2  SER  32           HB2      SER  32  -8.251   0.455 -25.887
  253    HB3  SER  32           HB3      SER  32  -9.142   1.860 -25.251
  254    HG   SER  32           HG       SER  32  -8.105   3.109 -26.871
  255    H    GLY  33           H        GLY  33  -5.781   3.079 -22.945
  256    HA2  GLY  33           HA2      GLY  33  -6.823   5.760 -23.091
  257    HA3  GLY  33           HA3      GLY  33  -5.419   5.222 -22.167
  258    H1   4N2 101           H1       4N2  34  -3.358  -0.352  -3.912
  259    H2   4N2 101           H2       4N2  34  -4.060  -2.708  -3.885
  260    H3   4N2 101           H3       4N2  34  -2.153  -3.756  -5.191
  261    H4   4N2 101           H4       4N2  34  -0.148  -2.283  -5.655
  262    H5   4N2 101           H5       4N2  34  -1.032  -0.123  -4.968
  263    H62  4N2 101           H62      4N2  34   1.169  -0.776  -2.957
  264    H61  4N2 101           H61      4N2  34   1.471  -0.575  -4.684
  265    HO2  4N2 101           H2O      4N2  34  -1.630  -3.427  -2.553
  266    HO3  4N2 101           H3O      4N2  34  -3.540  -2.370  -6.327
  267    HO4  4N2 101           H4O      4N2  34   0.316  -3.917  -4.252
  268    HO6  4N2 101           H6O      4N2  34   1.768   1.389  -3.473
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -16.286   4.552 -24.790
    2    H2   LYS   1           H2       LYS   1 -17.123   5.663 -23.935
    3    H3   LYS   1           H3       LYS   1 -16.849   4.184 -23.296
    4    HA   LYS   1           HA       LYS   1 -14.808   6.213 -23.927
    5    HB2  LYS   1           HB2      LYS   1 -16.181   6.841 -21.987
    6    HB3  LYS   1           HB3      LYS   1 -15.762   5.329 -21.174
    7    HG2  LYS   1           HG2      LYS   1 -13.381   5.992 -21.115
    8    HG3  LYS   1           HG3      LYS   1 -13.733   7.413 -22.106
    9    HD2  LYS   1           HD2      LYS   1 -13.458   8.102 -19.816
   10    HD3  LYS   1           HD3      LYS   1 -15.146   8.338 -20.287
   11    HE2  LYS   1           HE2      LYS   1 -15.749   6.202 -19.136
   12    HE3  LYS   1           HE3      LYS   1 -14.054   5.982 -18.673
   13    HZ1  LYS   1           HZ1      LYS   1 -14.211   8.057 -17.402
   14    HZ2  LYS   1           HZ2      LYS   1 -15.773   8.258 -17.837
   15    HZ3  LYS   1           HZ3      LYS   1 -15.348   7.002 -16.887
   16    H    LEU   2           H        LEU   2 -14.949   3.323 -21.744
   17    HA   LEU   2           HA       LEU   2 -12.262   2.504 -22.550
   18    HB2  LEU   2           HB2      LEU   2 -14.381   1.056 -20.897
   19    HB3  LEU   2           HB3      LEU   2 -12.737   0.545 -21.133
   20    HG   LEU   2           HG       LEU   2 -12.555   1.350 -19.073
   21   HD11  LEU   2          HD11      LEU   2 -10.919   2.560 -20.521
   22   HD12  LEU   2          HD12      LEU   2 -12.027   3.949 -20.548
   23   HD13  LEU   2          HD13      LEU   2 -11.328   3.400 -19.011
   24   HD21  LEU   2          HD21      LEU   2 -14.831   2.182 -18.848
   25   HD22  LEU   2          HD22      LEU   2 -13.646   3.262 -18.097
   26   HD23  LEU   2          HD23      LEU   2 -14.371   3.703 -19.658
   27    HA   PRO   3           HA       PRO   3 -13.538  -0.315 -25.816
   28    HB2  PRO   3           HB2      PRO   3 -11.669  -2.327 -25.677
   29    HB3  PRO   3           HB3      PRO   3 -11.325  -0.680 -26.291
   30    HG2  PRO   3           HG2      PRO   3 -10.768  -1.816 -23.552
   31    HG3  PRO   3           HG3      PRO   3  -9.697  -0.832 -24.580
   32    HD2  PRO   3           HD2      PRO   3 -11.206   0.172 -22.518
   33    HD3  PRO   3           HD3      PRO   3 -10.780   1.152 -23.944
   34    HA   PRO   4           HA       PRO   4 -16.415  -3.120 -24.466
   35    HB2  PRO   4           HB2      PRO   4 -15.129  -5.442 -25.923
   36    HB3  PRO   4           HB3      PRO   4 -16.857  -4.955 -25.880
   37    HG2  PRO   4           HG2      PRO   4 -15.340  -4.219 -27.981
   38    HG3  PRO   4           HG3      PRO   4 -16.410  -3.000 -27.205
   39    HD2  PRO   4           HD2      PRO   4 -13.433  -3.410 -26.824
   40    HD3  PRO   4           HD3      PRO   4 -14.345  -1.888 -27.066
   41    H    GLY   5           H        GLY   5 -16.966  -4.089 -22.661
   42    HA2  GLY   5           HA2      GLY   5 -17.018  -5.564 -20.880
   43    HA3  GLY   5           HA3      GLY   5 -15.479  -6.271 -21.406
   44    H    TRP   6           H        TRP   6 -14.467  -3.224 -21.302
   45    HA   TRP   6           HA       TRP   6 -13.363  -3.532 -18.609
   46    HB2  TRP   6           HB2      TRP   6 -12.872  -1.580 -20.846
   47    HB3  TRP   6           HB3      TRP   6 -12.047  -1.499 -19.286
   48    HD1  TRP   6           HD1      TRP   6 -12.173  -3.403 -22.551
   49    HE1  TRP   6           HE1      TRP   6 -10.150  -4.956 -22.784
   50    HE3  TRP   6           HE3      TRP   6 -10.309  -3.019 -17.788
   51    HZ2  TRP   6           HZ2      TRP   6  -8.206  -6.146 -21.051
   52    HZ3  TRP   6           HZ3      TRP   6  -8.330  -4.377 -17.122
   53    HH2  TRP   6           HH2      TRP   6  -7.293  -5.960 -18.720
   54    H    GLU   7           H        GLU   7 -13.705  -2.370 -16.839
   55    HA   GLU   7           HA       GLU   7 -15.098   0.236 -16.878
   56    HB2  GLU   7           HB2      GLU   7 -16.860  -1.513 -16.681
   57    HB3  GLU   7           HB3      GLU   7 -16.068  -2.146 -15.231
   58    HG2  GLU   7           HG2      GLU   7 -16.571  -0.130 -13.996
   59    HG3  GLU   7           HG3      GLU   7 -17.026   0.730 -15.471
   60    H    LYS   8           H        LYS   8 -14.800   1.431 -14.828
   61    HA   LYS   8           HA       LYS   8 -12.210   0.999 -13.601
   62    HB2  LYS   8           HB2      LYS   8 -14.458   2.974 -13.093
   63    HB3  LYS   8           HB3      LYS   8 -13.032   2.876 -12.043
   64    HG2  LYS   8           HG2      LYS   8 -11.529   3.252 -13.927
   65    HG3  LYS   8           HG3      LYS   8 -12.903   3.254 -15.050
   66    HD2  LYS   8           HD2      LYS   8 -12.301   5.535 -14.708
   67    HD3  LYS   8           HD3      LYS   8 -13.800   5.283 -13.796
   68    HE2  LYS   8           HE2      LYS   8 -12.432   4.965 -11.714
   69    HE3  LYS   8           HE3      LYS   8 -10.962   5.236 -12.661
   70    HZ1  LYS   8           HZ1      LYS   8 -13.139   7.226 -12.281
   71    HZ2  LYS   8           HZ2      LYS   8 -11.690   7.263 -11.533
   72    HZ3  LYS   8           HZ3      LYS   8 -11.776   7.482 -13.146
   73    H    ARG   9           H        ARG   9 -11.682   0.461 -11.659
   74    HA   ARG   9           HA       ARG   9 -13.563  -0.575  -9.618
   75    HB2  ARG   9           HB2      ARG   9 -12.986  -2.397 -11.340
   76    HB3  ARG   9           HB3      ARG   9 -11.344  -2.369 -10.699
   77    HG2  ARG   9           HG2      ARG   9 -12.131  -3.138  -8.531
   78    HG3  ARG   9           HG3      ARG   9 -13.830  -2.837  -8.978
   79    HD2  ARG   9           HD2      ARG   9 -13.754  -4.601 -10.660
   80    HD3  ARG   9           HD3      ARG   9 -12.025  -4.879 -10.337
   81    HE   ARG   9           HE       ARG   9 -13.401  -5.151  -7.880
   82   HH11  ARG   9          HH11      ARG   9 -13.888  -7.106  -6.976
   83   HH12  ARG   9          HH12      ARG   9 -13.983  -8.531  -7.975
   84   HH21  ARG   9          HH21      ARG   9 -13.268  -6.927 -10.915
   85   HH22  ARG   9          HH22      ARG   9 -13.638  -8.434 -10.130
   86    H    MET  10           H        MET  10 -12.239  -1.262  -7.570
   87    HA   MET  10           HA       MET  10  -9.808   0.384  -7.192
   88    HB2  MET  10           HB2      MET  10 -11.703   1.967  -7.132
   89    HB3  MET  10           HB3      MET  10 -12.477   1.004  -5.859
   90    HG2  MET  10           HG2      MET  10 -10.638   1.522  -4.325
   91    HG3  MET  10           HG3      MET  10  -9.785   2.395  -5.609
   92    HE1  MET  10           HE1      MET  10 -10.347   3.604  -2.738
   93    HE2  MET  10           HE2      MET  10  -9.510   4.495  -4.036
   94    HE3  MET  10           HE3      MET  10 -10.853   5.256  -3.156
   95    H    PHE  11           H        PHE  11  -8.565  -0.198  -5.545
   96    HA   PHE  11           HA       PHE  11  -9.227  -2.550  -3.889
   97    HB2  PHE  11           HB2      PHE  11  -6.725  -0.851  -4.193
   98    HB3  PHE  11           HB3      PHE  11  -6.855  -2.218  -3.104
   99    HD1  PHE  11           HD1      PHE  11  -7.167  -4.543  -3.989
  100    HD2  PHE  11           HD2      PHE  11  -6.289  -1.196  -6.564
  101    HE1  PHE  11           HE1      PHE  11  -6.407  -6.104  -5.766
  102    HE2  PHE  11           HE2      PHE  11  -5.543  -2.760  -8.340
  103    HZ   PHE  11           HZ       PHE  11  -5.594  -5.216  -7.943
  104    H    ALA  12           H        ALA  12  -9.234  -2.567  -1.627
  105    HA   ALA  12           HA       ALA  12 -10.375  -0.346  -0.274
  106    HB1  ALA  12           HB1      ALA  12 -10.727  -2.713   0.326
  107    HB2  ALA  12           HB2      ALA  12  -9.024  -2.849   0.829
  108    HB3  ALA  12           HB3      ALA  12 -10.135  -1.782   1.714
  109    H    ASN  13           H        ASN  13  -7.039  -0.952  -0.933
  110    HA   ASN  13           HA       ASN  13  -5.963   0.688   1.228
  111    HB2  ASN  13           HB2      ASN  13  -3.824   0.305   0.177
  112    HB3  ASN  13           HB3      ASN  13  -4.730  -1.212   0.264
  113   HD21  ASN  13          HD21      ASN  13  -3.288  -2.045  -1.350
  114    H    GLY  14           H        GLY  14  -7.678   1.574  -1.520
  115    HA2  GLY  14           HA2      GLY  14  -8.201   3.848  -1.969
  116    HA3  GLY  14           HA3      GLY  14  -6.593   4.353  -1.438
  117    H    THR  15           H        THR  15  -6.280   1.652  -3.509
  118    HA   THR  15           HA       THR  15  -5.321   3.424  -5.684
  119    HB   THR  15           HB       THR  15  -5.011   0.420  -5.398
  120    HG1  THR  15           HG1      THR  15  -3.996   1.324  -3.742
  121   HG21  THR  15          HG21      THR  15  -3.522   2.463  -7.104
  122   HG22  THR  15          HG22      THR  15  -3.081   0.752  -6.918
  123   HG23  THR  15          HG23      THR  15  -4.602   1.183  -7.706
  124    H    VAL  16           H        VAL  16  -6.380   3.772  -7.541
  125    HA   VAL  16           HA       VAL  16  -8.782   2.172  -8.243
  126    HB   VAL  16           HB       VAL  16  -7.755   4.875  -9.151
  127   HG11  VAL  16          HG11      VAL  16  -9.888   5.105 -10.390
  128   HG12  VAL  16          HG12      VAL  16  -8.842   3.872 -11.091
  129   HG13  VAL  16          HG13      VAL  16 -10.238   3.385 -10.097
  130   HG21  VAL  16          HG21      VAL  16 -10.265   4.033  -7.634
  131   HG22  VAL  16          HG22      VAL  16  -8.839   4.808  -6.909
  132   HG23  VAL  16          HG23      VAL  16  -9.821   5.694  -8.080
  133    H    TYR  17           H        TYR  17  -9.039   1.120 -10.157
  134    HA   TYR  17           HA       TYR  17  -6.898   0.983 -12.167
  135    HB2  TYR  17           HB2      TYR  17  -6.473  -1.344 -11.922
  136    HB3  TYR  17           HB3      TYR  17  -6.214  -0.604 -10.370
  137    HD1  TYR  17           HD1      TYR  17  -8.001  -0.889  -8.539
  138    HD2  TYR  17           HD2      TYR  17  -7.984  -3.166 -12.203
  139    HE1  TYR  17           HE1      TYR  17  -9.268  -2.723  -7.420
  140    HE2  TYR  17           HE2      TYR  17  -9.313  -4.955 -11.103
  141    HH   TYR  17           HH       TYR  17  -9.992  -5.789  -9.058
  142    H    TYR  18           H        TYR  18  -7.624  -0.979 -13.745
  143    HA   TYR  18           HA       TYR  18 -10.529  -0.644 -14.364
  144    HB2  TYR  18           HB2      TYR  18  -8.218  -0.852 -16.321
  145    HB3  TYR  18           HB3      TYR  18  -9.937  -0.709 -16.725
  146    HD1  TYR  18           HD1      TYR  18 -11.088   1.441 -16.613
  147    HD2  TYR  18           HD2      TYR  18  -6.982   1.068 -15.338
  148    HE1  TYR  18           HE1      TYR  18 -10.909   3.915 -16.452
  149    HE2  TYR  18           HE2      TYR  18  -6.818   3.548 -15.148
  150    HH   TYR  18           HH       TYR  18  -9.571   5.690 -15.921
  151    H    PHE  19           H        PHE  19 -11.663  -2.434 -14.798
  152    HA   PHE  19           HA       PHE  19 -10.290  -5.086 -14.918
  153    HB2  PHE  19           HB2      PHE  19 -10.930  -4.868 -12.667
  154    HB3  PHE  19           HB3      PHE  19 -12.479  -4.134 -13.060
  155    HD1  PHE  19           HD1      PHE  19 -10.562  -7.314 -13.009
  156    HD2  PHE  19           HD2      PHE  19 -14.443  -5.515 -13.615
  157    HE1  PHE  19           HE1      PHE  19 -11.622  -9.550 -12.892
  158    HE2  PHE  19           HE2      PHE  19 -15.495  -7.745 -13.449
  159    HZ   PHE  19           HZ       PHE  19 -14.091  -9.774 -13.115
  160    H    ASN  20           H        ASN  20 -11.164  -6.585 -16.226
  161    HA   ASN  20           HA       ASN  20 -13.363  -5.711 -18.013
  162    HB2  ASN  20           HB2      ASN  20 -11.127  -6.302 -18.958
  163    HB3  ASN  20           HB3      ASN  20 -11.381  -7.964 -18.411
  164   HD21  ASN  20          HD21      ASN  20 -11.433  -6.256 -21.130
  165   HD22  ASN  20          HD22      ASN  20 -12.792  -6.994 -21.961
  166    H    HIS  21           H        HIS  21 -15.336  -6.435 -17.540
  167    HA   HIS  21           HA       HIS  21 -15.714  -8.602 -15.636
  168    HB2  HIS  21           HB2      HIS  21 -17.853  -7.869 -15.427
  169    HB3  HIS  21           HB3      HIS  21 -17.059  -6.386 -15.943
  170    HD2  HIS  21           HD2      HIS  21 -17.832  -5.328 -18.284
  171    HE1  HIS  21           HE1      HIS  21 -20.813  -8.202 -19.292
  172    HE2  HIS  21           HE2      HIS  21 -19.823  -5.936 -19.894
  173    H    ILE  22           H        ILE  22 -15.432  -8.585 -19.033
  174    HA   ILE  22           HA       ILE  22 -17.044 -11.025 -19.488
  175    HB   ILE  22           HB       ILE  22 -15.389  -9.323 -21.400
  176   HG12  ILE  22          HG12      ILE  22 -18.398  -9.343 -20.843
  177   HG13  ILE  22          HG13      ILE  22 -17.265  -8.052 -20.405
  178   HG21  ILE  22          HG21      ILE  22 -16.617 -10.495 -23.195
  179   HG22  ILE  22          HG22      ILE  22 -15.697 -11.634 -22.235
  180   HG23  ILE  22          HG23      ILE  22 -17.451 -11.495 -21.985
  181   HD11  ILE  22          HD11      ILE  22 -16.783  -7.718 -22.858
  182   HD12  ILE  22          HD12      ILE  22 -18.159  -8.800 -23.197
  183   HD13  ILE  22          HD13      ILE  22 -18.416  -7.291 -22.305
  184    H    THR  23           H        THR  23 -13.634  -9.983 -19.517
  185    HA   THR  23           HA       THR  23 -12.731 -12.777 -20.036
  186    HB   THR  23           HB       THR  23 -10.670 -11.823 -20.799
  187    HG1  THR  23           HG1      THR  23 -10.686  -9.432 -20.865
  188   HG21  THR  23          HG21      THR  23 -11.362 -10.510 -22.693
  189   HG22  THR  23          HG22      THR  23 -12.626 -11.716 -22.394
  190   HG23  THR  23          HG23      THR  23 -12.873 -10.023 -21.902
  191    H    ASN  24           H        ASN  24 -13.085 -10.821 -17.348
  192    HA   ASN  24           HA       ASN  24 -12.329 -10.758 -15.267
  193    HB2  ASN  24           HB2      ASN  24 -12.817 -13.230 -15.470
  194    HB3  ASN  24           HB3      ASN  24 -11.079 -13.487 -15.702
  195   HD21  ASN  24          HD21      ASN  24 -10.227 -14.272 -13.813
  196   HD22  ASN  24          HD22      ASN  24 -10.690 -13.702 -12.207
  197    H    ALA  25           H        ALA  25 -10.442  -9.960 -17.602
  198    HA   ALA  25           HA       ALA  25  -7.788  -9.998 -16.406
  199    HB1  ALA  25           HB1      ALA  25  -8.913  -8.395 -18.740
  200    HB2  ALA  25           HB2      ALA  25  -7.197  -8.614 -18.342
  201    HB3  ALA  25           HB3      ALA  25  -8.170 -10.007 -18.852
  202    H    SER  26           H        SER  26  -6.561  -8.032 -15.859
  203    HA   SER  26           HA       SER  26  -8.058  -5.594 -15.253
  204    HB2  SER  26           HB2      SER  26  -7.304  -5.406 -12.937
  205    HB3  SER  26           HB3      SER  26  -8.389  -6.777 -13.161
  206    HG   SER  26           HG       SER  26  -6.616  -8.155 -13.128
  207    H    GLN  27           H        GLN  27  -6.805  -3.740 -15.011
  208    HA   GLN  27           HA       GLN  27  -3.888  -3.868 -15.048
  209    HB2  GLN  27           HB2      GLN  27  -3.552  -2.703 -17.116
  210    HB3  GLN  27           HB3      GLN  27  -4.445  -4.192 -17.431
  211    HG2  GLN  27           HG2      GLN  27  -6.519  -2.954 -17.750
  212    HG3  GLN  27           HG3      GLN  27  -5.748  -1.449 -17.265
  213   HE21  GLN  27          HE21      GLN  27  -4.883  -0.210 -18.884
  214   HE22  GLN  27          HE22      GLN  27  -4.448  -0.819 -20.493
  215    H    PHE  28           H        PHE  28  -2.877  -1.761 -14.680
  216    HA   PHE  28           HA       PHE  28  -4.522  -0.206 -12.828
  217    HB2  PHE  28           HB2      PHE  28  -2.383  -0.920 -12.096
  218    HB3  PHE  28           HB3      PHE  28  -1.590  -0.322 -13.562
  219    HD1  PHE  28           HD1      PHE  28  -3.312   0.774 -10.425
  220    HD2  PHE  28           HD2      PHE  28  -0.850   1.911 -13.772
  221    HE1  PHE  28           HE1      PHE  28  -2.859   2.970  -9.345
  222    HE2  PHE  28           HE2      PHE  28  -0.398   4.112 -12.698
  223    HZ   PHE  28           HZ       PHE  28  -1.400   4.634 -10.469
  224    H    GLU  29           H        GLU  29  -2.854   0.436 -15.909
  225    HA   GLU  29           HA       GLU  29  -3.762   3.259 -15.945
  226    HB2  GLU  29           HB2      GLU  29  -2.398   3.484 -17.911
  227    HB3  GLU  29           HB3      GLU  29  -1.458   2.829 -16.582
  228    HG2  GLU  29           HG2      GLU  29  -2.650   1.003 -18.718
  229    HG3  GLU  29           HG3      GLU  29  -1.167   1.893 -19.004
  230    H    ARG  30           H        ARG  30  -4.846   4.118 -17.929
  231    HA   ARG  30           HA       ARG  30  -7.310   2.777 -18.160
  232    HB2  ARG  30           HB2      ARG  30  -6.631   5.320 -18.495
  233    HB3  ARG  30           HB3      ARG  30  -6.514   4.863 -20.194
  234    HG2  ARG  30           HG2      ARG  30  -8.972   3.761 -19.447
  235    HG3  ARG  30           HG3      ARG  30  -8.865   5.186 -18.407
  236    HD2  ARG  30           HD2      ARG  30  -9.924   6.084 -20.195
  237    HD3  ARG  30           HD3      ARG  30  -8.255   6.425 -20.678
  238    HE   ARG  30           HE       ARG  30  -8.744   3.927 -21.792
  239   HH11  ARG  30          HH11      ARG  30 -10.566   6.932 -22.074
  240   HH12  ARG  30          HH12      ARG  30 -11.384   6.354 -23.508
  241   HH21  ARG  30          HH21      ARG  30  -9.789   3.326 -23.531
  242   HH22  ARG  30          HH22      ARG  30 -11.074   4.320 -24.226
  243    HA   PRO  31           HA       PRO  31  -6.378   0.063 -21.669
  244    HB2  PRO  31           HB2      PRO  31  -8.835  -1.096 -22.023
  245    HB3  PRO  31           HB3      PRO  31  -7.731  -1.538 -20.680
  246    HG2  PRO  31           HG2      PRO  31 -10.047   0.424 -20.629
  247    HG3  PRO  31           HG3      PRO  31  -9.701  -0.903 -19.478
  248    HD2  PRO  31           HD2      PRO  31  -8.978   1.638 -18.942
  249    HD3  PRO  31           HD3      PRO  31  -7.889   0.282 -18.518
  250    H    SER  32           H        SER  32  -6.798  -0.019 -23.931
  251    HA   SER  32           HA       SER  32  -8.792   1.731 -25.149
  252    HB2  SER  32           HB2      SER  32  -6.919   3.288 -24.680
  253    HB3  SER  32           HB3      SER  32  -5.824   2.229 -25.605
  254    HG   SER  32           HG       SER  32  -6.677   3.962 -26.857
  255    H    GLY  33           H        GLY  33  -9.235   1.167 -27.218
  256    HA2  GLY  33           HA2      GLY  33  -8.691  -1.562 -28.060
  257    HA3  GLY  33           HA3      GLY  33  -9.688  -0.378 -28.903
  258    H1   4N2 101           H1       4N2  34  -3.774  -1.072  -4.111
  259    H2   4N2 101           H2       4N2  34  -4.214  -3.480  -4.014
  260    H3   4N2 101           H3       4N2  34  -2.317  -4.347  -5.461
  261    H4   4N2 101           H4       4N2  34  -0.513  -2.710  -6.089
  262    H5   4N2 101           H5       4N2  34  -1.587  -0.617  -5.368
  263    H62  4N2 101           H62      4N2  34   0.166   0.511  -4.073
  264    H61  4N2 101           H61      4N2  34   0.881  -1.038  -3.621
  265    HO2  4N2 101           H2O      4N2  34  -1.618  -3.982  -2.947
  266    HO3  4N2 101           H3O      4N2  34  -3.953  -3.093  -6.453
  267    HO4  4N2 101           H4O      4N2  34   0.774  -3.313  -4.359
  268    HO6  4N2 101           H6O      4N2  34   1.918  -0.046  -5.463
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -17.203   4.184 -24.023
    2    H2   LYS   1           H2       LYS   1 -17.499   5.696 -23.473
    3    H3   LYS   1           H3       LYS   1 -17.701   4.405 -22.483
    4    HA   LYS   1           HA       LYS   1 -15.140   5.308 -23.614
    5    HB2  LYS   1           HB2      LYS   1 -16.259   6.743 -21.783
    6    HB3  LYS   1           HB3      LYS   1 -15.904   5.415 -20.675
    7    HG2  LYS   1           HG2      LYS   1 -13.471   5.689 -21.154
    8    HG3  LYS   1           HG3      LYS   1 -13.845   6.880 -22.402
    9    HD2  LYS   1           HD2      LYS   1 -13.071   8.013 -20.420
   10    HD3  LYS   1           HD3      LYS   1 -14.779   8.397 -20.674
   11    HE2  LYS   1           HE2      LYS   1 -15.401   6.692 -18.954
   12    HE3  LYS   1           HE3      LYS   1 -13.687   6.318 -18.716
   13    HZ1  LYS   1           HZ1      LYS   1 -14.506   7.900 -17.059
   14    HZ2  LYS   1           HZ2      LYS   1 -13.363   8.619 -17.980
   15    HZ3  LYS   1           HZ3      LYS   1 -14.943   8.965 -18.215
   16    H    LEU   2           H        LEU   2 -13.253   4.202 -22.658
   17    HA   LEU   2           HA       LEU   2 -11.990   2.395 -22.608
   18    HB2  LEU   2           HB2      LEU   2 -14.097   1.019 -20.921
   19    HB3  LEU   2           HB3      LEU   2 -12.407   0.624 -21.079
   20    HG   LEU   2           HG       LEU   2 -12.460   1.521 -19.052
   21   HD11  LEU   2          HD11      LEU   2 -11.181   3.492 -18.997
   22   HD12  LEU   2          HD12      LEU   2 -10.724   2.629 -20.472
   23   HD13  LEU   2          HD13      LEU   2 -11.789   4.044 -20.574
   24   HD21  LEU   2          HD21      LEU   2 -13.589   3.451 -18.224
   25   HD22  LEU   2          HD22      LEU   2 -14.165   3.885 -19.840
   26   HD23  LEU   2          HD23      LEU   2 -14.754   2.405 -19.054
   27    HA   PRO   3           HA       PRO   3 -13.167  -0.568 -25.748
   28    HB2  PRO   3           HB2      PRO   3 -11.540  -2.730 -24.522
   29    HB3  PRO   3           HB3      PRO   3 -11.361  -1.936 -26.111
   30    HG2  PRO   3           HG2      PRO   3  -9.618  -1.476 -24.037
   31    HG3  PRO   3           HG3      PRO   3 -10.059  -0.224 -25.233
   32    HD2  PRO   3           HD2      PRO   3 -11.158  -0.625 -22.450
   33    HD3  PRO   3           HD3      PRO   3 -10.658   0.886 -23.270
   34    HA   PRO   4           HA       PRO   4 -16.412  -3.282 -24.508
   35    HB2  PRO   4           HB2      PRO   4 -14.952  -5.635 -25.738
   36    HB3  PRO   4           HB3      PRO   4 -16.689  -5.194 -25.860
   37    HG2  PRO   4           HG2      PRO   4 -15.032  -4.525 -27.874
   38    HG3  PRO   4           HG3      PRO   4 -16.175  -3.291 -27.233
   39    HD2  PRO   4           HD2      PRO   4 -13.230  -3.638 -26.586
   40    HD3  PRO   4           HD3      PRO   4 -14.124  -2.142 -27.011
   41    H    GLY   5           H        GLY   5 -16.984  -4.069 -22.644
   42    HA2  GLY   5           HA2      GLY   5 -17.133  -5.465 -20.811
   43    HA3  GLY   5           HA3      GLY   5 -15.602  -6.234 -21.262
   44    H    TRP   6           H        TRP   6 -14.538  -3.168 -21.165
   45    HA   TRP   6           HA       TRP   6 -13.445  -3.525 -18.494
   46    HB2  TRP   6           HB2      TRP   6 -13.077  -1.384 -20.564
   47    HB3  TRP   6           HB3      TRP   6 -12.233  -1.401 -19.006
   48    HD1  TRP   6           HD1      TRP   6 -12.219  -2.915 -22.423
   49    HE1  TRP   6           HE1      TRP   6 -10.092  -4.288 -22.807
   50    HE3  TRP   6           HE3      TRP   6 -10.484  -3.050 -17.607
   51    HZ2  TRP   6           HZ2      TRP   6  -8.144  -5.621 -21.178
   52    HZ3  TRP   6           HZ3      TRP   6  -8.449  -4.393 -17.057
   53    HH2  TRP   6           HH2      TRP   6  -7.298  -5.699 -18.817
   54    H    GLU   7           H        GLU   7 -13.736  -2.426 -16.677
   55    HA   GLU   7           HA       GLU   7 -15.551  -0.080 -16.463
   56    HB2  GLU   7           HB2      GLU   7 -16.858  -2.190 -16.129
   57    HB3  GLU   7           HB3      GLU   7 -15.738  -2.659 -14.845
   58    HG2  GLU   7           HG2      GLU   7 -16.435  -0.640 -13.544
   59    HG3  GLU   7           HG3      GLU   7 -17.543  -0.198 -14.846
   60    H    LYS   8           H        LYS   8 -15.033   1.300 -14.695
   61    HA   LYS   8           HA       LYS   8 -12.359   1.065 -13.562
   62    HB2  LYS   8           HB2      LYS   8 -14.593   3.092 -13.297
   63    HB3  LYS   8           HB3      LYS   8 -13.221   3.099 -12.177
   64    HG2  LYS   8           HG2      LYS   8 -11.634   3.203 -14.045
   65    HG3  LYS   8           HG3      LYS   8 -12.982   3.194 -15.203
   66    HD2  LYS   8           HD2      LYS   8 -12.213   5.454 -14.991
   67    HD3  LYS   8           HD3      LYS   8 -13.777   5.365 -14.161
   68    HE2  LYS   8           HE2      LYS   8 -12.593   5.166 -11.977
   69    HE3  LYS   8           HE3      LYS   8 -11.036   5.189 -12.816
   70    HZ1  LYS   8           HZ1      LYS   8 -13.000   7.417 -12.815
   71    HZ2  LYS   8           HZ2      LYS   8 -11.619   7.380 -11.948
   72    HZ3  LYS   8           HZ3      LYS   8 -11.553   7.440 -13.578
   73    H    ARG   9           H        ARG   9 -11.735   0.695 -11.630
   74    HA   ARG   9           HA       ARG   9 -13.527  -0.067  -9.367
   75    HB2  ARG   9           HB2      ARG   9 -11.138  -1.701 -10.330
   76    HB3  ARG   9           HB3      ARG   9 -12.068  -2.052  -8.871
   77    HG2  ARG   9           HG2      ARG   9 -13.083  -2.147 -11.656
   78    HG3  ARG   9           HG3      ARG   9 -12.598  -3.565 -10.712
   79    HD2  ARG   9           HD2      ARG   9 -14.408  -3.189  -9.110
   80    HD3  ARG   9           HD3      ARG   9 -14.866  -1.683  -9.919
   81    HE   ARG   9           HE       ARG   9 -16.012  -2.843 -11.534
   82   HH11  ARG   9          HH11      ARG   9 -14.073  -5.251  -9.856
   83   HH12  ARG   9          HH12      ARG   9 -14.929  -6.561 -10.631
   84   HH21  ARG   9          HH21      ARG   9 -17.042  -4.479 -12.393
   85   HH22  ARG   9          HH22      ARG   9 -16.610  -6.145 -12.008
   86    H    MET  10           H        MET  10 -11.919  -0.736  -7.613
   87    HA   MET  10           HA       MET  10  -9.554   0.930  -7.270
   88    HB2  MET  10           HB2      MET  10 -11.474   2.540  -6.801
   89    HB3  MET  10           HB3      MET  10 -11.880   1.527  -5.402
   90    HG2  MET  10           HG2      MET  10  -9.499   1.952  -4.571
   91    HG3  MET  10           HG3      MET  10  -9.310   3.065  -5.922
   92    HE1  MET  10           HE1      MET  10 -10.744   2.387  -2.411
   93    HE2  MET  10           HE2      MET  10 -11.907   3.704  -2.148
   94    HE3  MET  10           HE3      MET  10 -12.291   2.400  -3.290
   95    H    PHE  11           H        PHE  11  -8.138   0.007  -5.856
   96    HA   PHE  11           HA       PHE  11  -8.828  -2.423  -4.380
   97    HB2  PHE  11           HB2      PHE  11  -6.319  -0.715  -4.532
   98    HB3  PHE  11           HB3      PHE  11  -6.442  -2.168  -3.556
   99    HD1  PHE  11           HD1      PHE  11  -5.580  -0.926  -6.806
  100    HD2  PHE  11           HD2      PHE  11  -7.137  -4.379  -4.741
  101    HE1  PHE  11           HE1      PHE  11  -4.926  -2.363  -8.716
  102    HE2  PHE  11           HE2      PHE  11  -6.475  -5.815  -6.656
  103    HZ   PHE  11           HZ       PHE  11  -5.372  -4.810  -8.646
  104    H    ALA  12           H        ALA  12  -8.576  -2.700  -2.074
  105    HA   ALA  12           HA       ALA  12 -10.022  -0.837  -0.521
  106    HB1  ALA  12           HB1      ALA  12  -9.899  -3.264  -0.098
  107    HB2  ALA  12           HB2      ALA  12  -8.184  -3.108   0.359
  108    HB3  ALA  12           HB3      ALA  12  -9.447  -2.342   1.347
  109    H    ASN  13           H        ASN  13  -6.640  -0.803  -1.239
  110    HA   ASN  13           HA       ASN  13  -5.864   0.952   0.978
  111    HB2  ASN  13           HB2      ASN  13  -3.665   0.912  -0.079
  112    HB3  ASN  13           HB3      ASN  13  -4.321  -0.722   0.087
  113   HD21  ASN  13          HD21      ASN  13  -2.866  -1.476  -1.531
  114    H    GLY  14           H        GLY  14  -7.672   1.567  -1.769
  115    HA2  GLY  14           HA2      GLY  14  -8.513   3.689  -2.328
  116    HA3  GLY  14           HA3      GLY  14  -7.058   4.473  -1.696
  117    H    THR  15           H        THR  15  -6.233   1.841  -3.760
  118    HA   THR  15           HA       THR  15  -5.363   3.762  -5.841
  119    HB   THR  15           HB       THR  15  -4.696   0.820  -5.547
  120    HG1  THR  15           HG1      THR  15  -3.893   1.829  -3.850
  121   HG21  THR  15          HG21      THR  15  -4.258   1.623  -7.827
  122   HG22  THR  15          HG22      THR  15  -3.398   3.041  -7.180
  123   HG23  THR  15          HG23      THR  15  -2.739   1.405  -6.955
  124    H    VAL  16           H        VAL  16  -6.846   4.231  -7.347
  125    HA   VAL  16           HA       VAL  16  -8.901   2.719  -8.486
  126    HB   VAL  16           HB       VAL  16  -7.138   4.870  -9.688
  127   HG11  VAL  16          HG11      VAL  16  -9.750   3.730 -10.769
  128   HG12  VAL  16          HG12      VAL  16  -8.975   5.231 -11.327
  129   HG13  VAL  16          HG13      VAL  16  -8.160   3.689 -11.571
  130   HG21  VAL  16          HG21      VAL  16  -9.956   4.900  -8.510
  131   HG22  VAL  16          HG22      VAL  16  -8.504   5.564  -7.731
  132   HG23  VAL  16          HG23      VAL  16  -9.114   6.297  -9.215
  133    H    TYR  17           H        TYR  17  -9.146   1.291 -10.139
  134    HA   TYR  17           HA       TYR  17  -6.955   0.653 -11.941
  135    HB2  TYR  17           HB2      TYR  17  -6.736  -1.657 -11.546
  136    HB3  TYR  17           HB3      TYR  17  -6.489  -0.862 -10.023
  137    HD1  TYR  17           HD1      TYR  17  -8.106  -1.135  -8.174
  138    HD2  TYR  17           HD2      TYR  17  -8.594  -3.227 -11.915
  139    HE1  TYR  17           HE1      TYR  17  -9.543  -2.838  -7.049
  140    HE2  TYR  17           HE2      TYR  17 -10.039  -4.902 -10.790
  141    HH   TYR  17           HH       TYR  17 -10.723  -4.770  -7.290
  142    H    TYR  18           H        TYR  18  -7.795  -1.252 -13.473
  143    HA   TYR  18           HA       TYR  18 -10.665  -0.780 -14.158
  144    HB2  TYR  18           HB2      TYR  18  -8.302  -0.981 -16.063
  145    HB3  TYR  18           HB3      TYR  18 -10.007  -0.881 -16.527
  146    HD1  TYR  18           HD1      TYR  18 -11.093   1.253 -16.771
  147    HD2  TYR  18           HD2      TYR  18  -7.232   0.992 -14.850
  148    HE1  TYR  18           HE1      TYR  18 -10.966   3.727 -16.662
  149    HE2  TYR  18           HE2      TYR  18  -7.126   3.468 -14.720
  150    HH   TYR  18           HH       TYR  18  -8.209   5.433 -15.164
  151    H    PHE  19           H        PHE  19 -11.833  -2.562 -14.606
  152    HA   PHE  19           HA       PHE  19 -10.496  -5.245 -14.741
  153    HB2  PHE  19           HB2      PHE  19 -11.405  -4.994 -12.540
  154    HB3  PHE  19           HB3      PHE  19 -12.918  -4.332 -13.160
  155    HD1  PHE  19           HD1      PHE  19 -14.690  -5.786 -14.043
  156    HD2  PHE  19           HD2      PHE  19 -10.928  -7.435 -12.714
  157    HE1  PHE  19           HE1      PHE  19 -15.702  -8.042 -13.958
  158    HE2  PHE  19           HE2      PHE  19 -11.930  -9.703 -12.702
  159    HZ   PHE  19           HZ       PHE  19 -14.326 -10.009 -13.306
  160    H    ASN  20           H        ASN  20 -11.292  -6.676 -16.219
  161    HA   ASN  20           HA       ASN  20 -13.436  -5.707 -18.042
  162    HB2  ASN  20           HB2      ASN  20 -11.138  -6.119 -18.953
  163    HB3  ASN  20           HB3      ASN  20 -11.351  -7.832 -18.574
  164   HD21  ASN  20          HD21      ASN  20 -11.374  -5.868 -21.118
  165   HD22  ASN  20          HD22      ASN  20 -12.743  -6.471 -22.034
  166    H    HIS  21           H        HIS  21 -15.398  -6.576 -17.743
  167    HA   HIS  21           HA       HIS  21 -15.734  -8.935 -16.068
  168    HB2  HIS  21           HB2      HIS  21 -17.915  -8.343 -15.890
  169    HB3  HIS  21           HB3      HIS  21 -17.199  -6.773 -16.238
  170    HD2  HIS  21           HD2      HIS  21 -17.995  -5.548 -18.483
  171    HE1  HIS  21           HE1      HIS  21 -20.710  -8.522 -19.876
  172    HE2  HIS  21           HE2      HIS  21 -19.887  -6.138 -20.214
  173    H    ILE  22           H        ILE  22 -15.357  -8.562 -19.447
  174    HA   ILE  22           HA       ILE  22 -16.818 -11.021 -20.189
  175    HB   ILE  22           HB       ILE  22 -15.168  -9.063 -21.840
  176   HG12  ILE  22          HG12      ILE  22 -18.200  -9.357 -21.509
  177   HG13  ILE  22          HG13      ILE  22 -17.209  -8.055 -20.831
  178   HG21  ILE  22          HG21      ILE  22 -15.250 -11.283 -22.921
  179   HG22  ILE  22          HG22      ILE  22 -17.021 -11.307 -22.758
  180   HG23  ILE  22          HG23      ILE  22 -16.216 -10.125 -23.814
  181   HD11  ILE  22          HD11      ILE  22 -16.568  -7.407 -23.191
  182   HD12  ILE  22          HD12      ILE  22 -17.850  -8.511 -23.750
  183   HD13  ILE  22          HD13      ILE  22 -18.254  -7.133 -22.710
  184    H    THR  23           H        THR  23 -13.462  -9.853 -19.960
  185    HA   THR  23           HA       THR  23 -12.409 -12.559 -20.634
  186    HB   THR  23           HB       THR  23 -10.326 -11.466 -21.117
  187    HG1  THR  23           HG1      THR  23 -10.504  -9.059 -20.991
  188   HG21  THR  23          HG21      THR  23 -12.148 -11.280 -22.867
  189   HG22  THR  23          HG22      THR  23 -12.500  -9.647 -22.251
  190   HG23  THR  23          HG23      THR  23 -10.910 -10.014 -22.946
  191    H    ASN  24           H        ASN  24 -13.048 -10.816 -17.843
  192    HA   ASN  24           HA       ASN  24 -12.479 -10.879 -15.705
  193    HB2  ASN  24           HB2      ASN  24 -11.258 -13.608 -16.203
  194    HB3  ASN  24           HB3      ASN  24 -11.820 -12.948 -14.658
  195   HD21  ASN  24          HD21      ASN  24 -14.220 -12.350 -14.574
  196   HD22  ASN  24          HD22      ASN  24 -15.306 -13.409 -15.476
  197    H    ALA  25           H        ALA  25 -10.404  -9.919 -17.761
  198    HA   ALA  25           HA       ALA  25  -7.873 -10.066 -16.313
  199    HB1  ALA  25           HB1      ALA  25  -8.002  -9.935 -18.782
  200    HB2  ALA  25           HB2      ALA  25  -8.762  -8.331 -18.656
  201    HB3  ALA  25           HB3      ALA  25  -7.093  -8.573 -18.100
  202    H    SER  26           H        SER  26  -6.711  -8.141 -15.550
  203    HA   SER  26           HA       SER  26  -8.215  -5.695 -15.095
  204    HB2  SER  26           HB2      SER  26  -7.712  -5.506 -12.694
  205    HB3  SER  26           HB3      SER  26  -8.840  -6.813 -13.042
  206    HG   SER  26           HG       SER  26  -7.154  -8.289 -12.810
  207    H    GLN  27           H        GLN  27  -6.950  -3.875 -14.674
  208    HA   GLN  27           HA       GLN  27  -4.029  -4.089 -14.535
  209    HB2  GLN  27           HB2      GLN  27  -3.566  -2.969 -16.599
  210    HB3  GLN  27           HB3      GLN  27  -4.551  -4.393 -16.951
  211    HG2  GLN  27           HG2      GLN  27  -6.541  -2.987 -17.263
  212    HG3  GLN  27           HG3      GLN  27  -5.630  -1.555 -16.802
  213   HE21  GLN  27          HE21      GLN  27  -5.175  -0.347 -18.580
  214   HE22  GLN  27          HE22      GLN  27  -4.640  -1.014 -20.138
  215    H    PHE  28           H        PHE  28  -2.971  -2.043 -14.099
  216    HA   PHE  28           HA       PHE  28  -4.586  -0.303 -12.422
  217    HB2  PHE  28           HB2      PHE  28  -2.453  -0.899 -11.627
  218    HB3  PHE  28           HB3      PHE  28  -1.669  -0.535 -13.170
  219    HD1  PHE  28           HD1      PHE  28  -3.443   1.116 -10.296
  220    HD2  PHE  28           HD2      PHE  28  -0.698   1.551 -13.589
  221    HE1  PHE  28           HE1      PHE  28  -2.889   3.420  -9.533
  222    HE2  PHE  28           HE2      PHE  28  -0.132   3.851 -12.818
  223    HZ   PHE  28           HZ       PHE  28  -1.229   4.784 -10.787
  224    H    GLU  29           H        GLU  29  -2.938   0.136 -15.572
  225    HA   GLU  29           HA       GLU  29  -3.654   2.979 -15.667
  226    HB2  GLU  29           HB2      GLU  29  -2.362   3.088 -17.662
  227    HB3  GLU  29           HB3      GLU  29  -1.466   2.172 -16.447
  228    HG2  GLU  29           HG2      GLU  29  -2.270   0.043 -17.579
  229    HG3  GLU  29           HG3      GLU  29  -2.958   1.048 -18.859
  230    H    ARG  30           H        ARG  30  -4.806   3.984 -17.439
  231    HA   ARG  30           HA       ARG  30  -7.373   2.830 -17.830
  232    HB2  ARG  30           HB2      ARG  30  -7.016   5.191 -17.623
  233    HB3  ARG  30           HB3      ARG  30  -6.033   5.258 -19.078
  234    HG2  ARG  30           HG2      ARG  30  -8.826   4.162 -19.336
  235    HG3  ARG  30           HG3      ARG  30  -8.666   5.898 -19.015
  236    HD2  ARG  30           HD2      ARG  30  -7.582   6.351 -21.024
  237    HD3  ARG  30           HD3      ARG  30  -6.964   4.719 -21.197
  238    HE   ARG  30           HE       ARG  30  -9.012   3.906 -21.974
  239   HH11  ARG  30          HH11      ARG  30  -9.291   7.385 -21.525
  240   HH12  ARG  30          HH12      ARG  30 -10.564   7.511 -22.711
  241   HH21  ARG  30          HH21      ARG  30 -10.505   4.176 -23.532
  242   HH22  ARG  30          HH22      ARG  30 -11.217   5.741 -23.834
  243    HA   PRO  31           HA       PRO  31  -6.299   0.342 -21.408
  244    HB2  PRO  31           HB2      PRO  31  -8.620  -1.041 -21.764
  245    HB3  PRO  31           HB3      PRO  31  -7.547  -1.314 -20.356
  246    HG2  PRO  31           HG2      PRO  31 -10.033   0.408 -20.495
  247    HG3  PRO  31           HG3      PRO  31  -9.590  -0.798 -19.245
  248    HD2  PRO  31           HD2      PRO  31  -9.136   1.879 -18.919
  249    HD3  PRO  31           HD3      PRO  31  -8.028   0.639 -18.265
  250    H    SER  32           H        SER  32  -6.568   0.318 -23.662
  251    HA   SER  32           HA       SER  32  -8.699   1.804 -24.976
  252    HB2  SER  32           HB2      SER  32  -7.122   3.606 -24.319
  253    HB3  SER  32           HB3      SER  32  -5.815   2.759 -25.184
  254    HG   SER  32           HG       SER  32  -6.822   4.395 -26.449
  255    H    GLY  33           H        GLY  33  -8.778   1.381 -27.166
  256    HA2  GLY  33           HA2      GLY  33  -6.917  -0.248 -28.680
  257    HA3  GLY  33           HA3      GLY  33  -8.269  -1.214 -28.083
  258    H1   4N2 101           H1       4N2  34  -3.445  -0.601  -4.309
  259    H2   4N2 101           H2       4N2  34  -3.743  -3.021  -4.207
  260    H3   4N2 101           H3       4N2  34  -1.764  -3.813  -5.602
  261    H4   4N2 101           H4       4N2  34  -0.055  -2.066  -6.241
  262    H5   4N2 101           H5       4N2  34  -1.328  -0.062  -5.580
  263    H62  4N2 101           H62      4N2  34   1.026   0.366  -5.692
  264    H61  4N2 101           H61      4N2  34   0.352   1.249  -4.324
  265    HO2  4N2 101           H2O      4N2  34  -1.144  -3.382  -3.088
  266    HO3  4N2 101           H3O      4N2  34  -3.441  -2.718  -6.676
  267    HO4  4N2 101           H4O      4N2  34   0.999  -2.149  -4.027
  268    HO6  4N2 101           H6O      4N2  34   2.302   0.234  -3.717
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -15.155   5.095 -24.813
    2    H2   LYS   1           H2       LYS   1 -16.035   6.184 -23.976
    3    H3   LYS   1           H3       LYS   1 -16.003   4.625 -23.492
    4    HA   LYS   1           HA       LYS   1 -13.723   6.491 -23.513
    5    HB2  LYS   1           HB2      LYS   1 -15.409   6.996 -21.753
    6    HB3  LYS   1           HB3      LYS   1 -15.168   5.386 -21.071
    7    HG2  LYS   1           HG2      LYS   1 -12.733   5.959 -20.721
    8    HG3  LYS   1           HG3      LYS   1 -13.056   7.575 -21.371
    9    HD2  LYS   1           HD2      LYS   1 -14.652   8.003 -19.509
   10    HD3  LYS   1           HD3      LYS   1 -14.405   6.356 -18.918
   11    HE2  LYS   1           HE2      LYS   1 -13.081   7.772 -17.541
   12    HE3  LYS   1           HE3      LYS   1 -11.975   6.860 -18.572
   13    HZ1  LYS   1           HZ1      LYS   1 -11.788   8.845 -19.988
   14    HZ2  LYS   1           HZ2      LYS   1 -12.838   9.669 -19.043
   15    HZ3  LYS   1           HZ3      LYS   1 -11.385   9.222 -18.453
   16    H    LEU   2           H        LEU   2 -14.540   3.364 -21.866
   17    HA   LEU   2           HA       LEU   2 -11.823   2.370 -22.533
   18    HB2  LEU   2           HB2      LEU   2 -13.928   1.156 -20.701
   19    HB3  LEU   2           HB3      LEU   2 -12.302   0.586 -20.964
   20    HG   LEU   2           HG       LEU   2 -12.062   1.516 -18.958
   21   HD11  LEU   2          HD11      LEU   2 -10.694   3.456 -19.070
   22   HD12  LEU   2          HD12      LEU   2 -10.414   2.537 -20.559
   23   HD13  LEU   2          HD13      LEU   2 -11.425   3.990 -20.596
   24   HD21  LEU   2          HD21      LEU   2 -13.767   3.916 -19.675
   25   HD22  LEU   2          HD22      LEU   2 -14.284   2.499 -18.736
   26   HD23  LEU   2          HD23      LEU   2 -13.019   3.567 -18.107
   27    HA   PRO   3           HA       PRO   3 -13.375  -0.432 -25.631
   28    HB2  PRO   3           HB2      PRO   3 -11.811  -2.741 -24.654
   29    HB3  PRO   3           HB3      PRO   3 -11.631  -1.812 -26.166
   30    HG2  PRO   3           HG2      PRO   3  -9.837  -1.669 -24.059
   31    HG3  PRO   3           HG3      PRO   3 -10.138  -0.324 -25.202
   32    HD2  PRO   3           HD2      PRO   3 -11.242  -0.752 -22.436
   33    HD3  PRO   3           HD3      PRO   3 -10.642   0.753 -23.200
   34    HA   PRO   4           HA       PRO   4 -16.699  -2.986 -24.318
   35    HB2  PRO   4           HB2      PRO   4 -15.494  -5.345 -25.790
   36    HB3  PRO   4           HB3      PRO   4 -17.199  -4.780 -25.766
   37    HG2  PRO   4           HG2      PRO   4 -15.630  -4.093 -27.842
   38    HG3  PRO   4           HG3      PRO   4 -16.640  -2.831 -27.051
   39    HD2  PRO   4           HD2      PRO   4 -13.690  -3.412 -26.631
   40    HD3  PRO   4           HD3      PRO   4 -14.505  -1.838 -26.898
   41    H    GLY   5           H        GLY   5 -17.243  -3.927 -22.495
   42    HA2  GLY   5           HA2      GLY   5 -17.304  -5.365 -20.685
   43    HA3  GLY   5           HA3      GLY   5 -15.855  -6.190 -21.288
   44    H    TRP   6           H        TRP   6 -14.681  -3.143 -21.195
   45    HA   TRP   6           HA       TRP   6 -13.475  -3.538 -18.541
   46    HB2  TRP   6           HB2      TRP   6 -13.027  -1.496 -20.706
   47    HB3  TRP   6           HB3      TRP   6 -12.167  -1.509 -19.163
   48    HD1  TRP   6           HD1      TRP   6 -12.292  -3.162 -22.531
   49    HE1  TRP   6           HE1      TRP   6 -10.128  -4.480 -22.943
   50    HE3  TRP   6           HE3      TRP   6 -10.385  -3.068 -17.775
   51    HZ2  TRP   6           HZ2      TRP   6  -8.004  -5.597 -21.351
   52    HZ3  TRP   6           HZ3      TRP   6  -8.243  -4.256 -17.270
   53    HH2  TRP   6           HH2      TRP   6  -7.080  -5.542 -19.030
   54    H    GLU   7           H        GLU   7 -13.729  -2.352 -16.751
   55    HA   GLU   7           HA       GLU   7 -15.142   0.242 -16.762
   56    HB2  GLU   7           HB2      GLU   7 -16.878  -1.528 -16.458
   57    HB3  GLU   7           HB3      GLU   7 -16.024  -2.106 -15.022
   58    HG2  GLU   7           HG2      GLU   7 -16.502  -0.055 -13.834
   59    HG3  GLU   7           HG3      GLU   7 -17.019   0.753 -15.316
   60    H    LYS   8           H        LYS   8 -14.754   1.478 -14.771
   61    HA   LYS   8           HA       LYS   8 -12.127   1.057 -13.608
   62    HB2  LYS   8           HB2      LYS   8 -14.329   3.088 -13.128
   63    HB3  LYS   8           HB3      LYS   8 -12.888   3.001 -12.096
   64    HG2  LYS   8           HG2      LYS   8 -11.408   3.279 -14.007
   65    HG3  LYS   8           HG3      LYS   8 -12.791   3.248 -15.119
   66    HD2  LYS   8           HD2      LYS   8 -12.131   5.530 -14.888
   67    HD3  LYS   8           HD3      LYS   8 -13.644   5.352 -13.982
   68    HE2  LYS   8           HE2      LYS   8 -12.318   5.129 -11.870
   69    HE3  LYS   8           HE3      LYS   8 -10.824   5.297 -12.806
   70    HZ1  LYS   8           HZ1      LYS   8 -11.504   7.410 -11.813
   71    HZ2  LYS   8           HZ2      LYS   8 -11.550   7.531 -13.440
   72    HZ3  LYS   8           HZ3      LYS   8 -12.939   7.374 -12.589
   73    H    ARG   9           H        ARG   9 -11.566   0.536 -11.667
   74    HA   ARG   9           HA       ARG   9 -13.432  -0.480  -9.589
   75    HB2  ARG   9           HB2      ARG   9 -12.865  -2.291 -11.320
   76    HB3  ARG   9           HB3      ARG   9 -11.210  -2.246 -10.716
   77    HG2  ARG   9           HG2      ARG   9 -11.930  -3.040  -8.540
   78    HG3  ARG   9           HG3      ARG   9 -13.643  -2.758  -8.940
   79    HD2  ARG   9           HD2      ARG   9 -13.583  -4.508 -10.641
   80    HD3  ARG   9           HD3      ARG   9 -11.845  -4.769 -10.352
   81    HE   ARG   9           HE       ARG   9 -13.137  -5.078  -7.867
   82   HH11  ARG   9          HH11      ARG   9 -13.629  -7.036  -6.971
   83   HH12  ARG   9          HH12      ARG   9 -13.792  -8.444  -7.985
   84   HH21  ARG   9          HH21      ARG   9 -13.160  -6.813 -10.930
   85   HH22  ARG   9          HH22      ARG   9 -13.532  -8.322 -10.151
   86    H    MET  10           H        MET  10 -12.081  -1.175  -7.563
   87    HA   MET  10           HA       MET  10  -9.597   0.377  -7.236
   88    HB2  MET  10           HB2      MET  10 -11.548   1.997  -7.045
   89    HB3  MET  10           HB3      MET  10 -12.093   1.067  -5.637
   90    HG2  MET  10           HG2      MET  10  -9.821   1.571  -4.581
   91    HG3  MET  10           HG3      MET  10  -9.490   2.597  -5.970
   92    HE1  MET  10           HE1      MET  10 -12.713   2.064  -3.622
   93    HE2  MET  10           HE2      MET  10 -11.266   2.135  -2.590
   94    HE3  MET  10           HE3      MET  10 -12.464   3.447  -2.537
   95    H    PHE  11           H        PHE  11  -8.341  -0.286  -5.602
   96    HA   PHE  11           HA       PHE  11  -8.980  -2.707  -4.082
   97    HB2  PHE  11           HB2      PHE  11  -6.590  -0.829  -4.118
   98    HB3  PHE  11           HB3      PHE  11  -6.680  -2.275  -3.130
   99    HD1  PHE  11           HD1      PHE  11  -5.960  -0.979  -6.459
  100    HD2  PHE  11           HD2      PHE  11  -6.836  -4.550  -4.205
  101    HE1  PHE  11           HE1      PHE  11  -5.024  -2.362  -8.291
  102    HE2  PHE  11           HE2      PHE  11  -5.885  -5.933  -6.037
  103    HZ   PHE  11           HZ       PHE  11  -4.978  -4.841  -8.081
  104    H    ALA  12           H        ALA  12  -8.874  -2.862  -1.754
  105    HA   ALA  12           HA       ALA  12 -10.463  -0.984  -0.355
  106    HB1  ALA  12           HB1      ALA  12  -8.606  -3.160   0.704
  107    HB2  ALA  12           HB2      ALA  12  -9.936  -2.393   1.598
  108    HB3  ALA  12           HB3      ALA  12 -10.291  -3.388   0.174
  109    H    ASN  13           H        ASN  13  -7.048  -0.869  -0.919
  110    HA   ASN  13           HA       ASN  13  -6.455   1.003   1.265
  111    HB2  ASN  13           HB2      ASN  13  -4.191   0.988   0.358
  112    HB3  ASN  13           HB3      ASN  13  -4.808  -0.656   0.571
  113   HD21  ASN  13          HD21      ASN  13  -3.174  -1.387  -0.889
  114    H    GLY  14           H        GLY  14  -8.130   1.451  -1.586
  115    HA2  GLY  14           HA2      GLY  14  -8.970   3.481  -2.355
  116    HA3  GLY  14           HA3      GLY  14  -7.667   4.370  -1.547
  117    H    THR  15           H        THR  15  -6.583   1.719  -3.535
  118    HA   THR  15           HA       THR  15  -5.524   3.638  -5.546
  119    HB   THR  15           HB       THR  15  -4.911   0.687  -5.188
  120    HG1  THR  15           HG1      THR  15  -4.199   1.716  -3.459
  121   HG21  THR  15          HG21      THR  15  -3.489   2.862  -6.786
  122   HG22  THR  15          HG22      THR  15  -2.869   1.221  -6.492
  123   HG23  THR  15          HG23      THR  15  -4.334   1.443  -7.454
  124    H    VAL  16           H        VAL  16  -6.340   3.856  -7.548
  125    HA   VAL  16           HA       VAL  16  -8.668   2.212  -8.328
  126    HB   VAL  16           HB       VAL  16  -7.595   4.883  -9.275
  127   HG11  VAL  16          HG11      VAL  16  -8.657   3.851 -11.214
  128   HG12  VAL  16          HG12      VAL  16 -10.080   3.408 -10.237
  129   HG13  VAL  16          HG13      VAL  16  -9.699   5.114 -10.562
  130   HG21  VAL  16          HG21      VAL  16 -10.150   4.119  -7.792
  131   HG22  VAL  16          HG22      VAL  16  -8.726   4.886  -7.055
  132   HG23  VAL  16          HG23      VAL  16  -9.665   5.759  -8.270
  133    H    TYR  17           H        TYR  17  -8.898   1.125 -10.204
  134    HA   TYR  17           HA       TYR  17  -6.777   0.981 -12.227
  135    HB2  TYR  17           HB2      TYR  17  -6.362  -1.359 -11.995
  136    HB3  TYR  17           HB3      TYR  17  -6.046  -0.604 -10.461
  137    HD1  TYR  17           HD1      TYR  17  -7.689  -0.908  -8.541
  138    HD2  TYR  17           HD2      TYR  17  -7.962  -3.130 -12.226
  139    HE1  TYR  17           HE1      TYR  17  -8.933  -2.726  -7.369
  140    HE2  TYR  17           HE2      TYR  17  -9.265  -4.903 -11.070
  141    HH   TYR  17           HH       TYR  17  -9.876  -5.733  -9.005
  142    H    TYR  18           H        TYR  18  -7.524  -0.958 -13.813
  143    HA   TYR  18           HA       TYR  18 -10.439  -0.616 -14.389
  144    HB2  TYR  18           HB2      TYR  18  -8.134  -0.849 -16.350
  145    HB3  TYR  18           HB3      TYR  18  -9.852  -0.728 -16.759
  146    HD1  TYR  18           HD1      TYR  18 -11.017   1.405 -16.718
  147    HD2  TYR  18           HD2      TYR  18  -6.926   1.107 -15.372
  148    HE1  TYR  18           HE1      TYR  18 -10.870   3.884 -16.585
  149    HE2  TYR  18           HE2      TYR  18  -6.789   3.585 -15.232
  150    HH   TYR  18           HH       TYR  18  -7.911   5.559 -15.492
  151    H    PHE  19           H        PHE  19 -11.596  -2.404 -14.814
  152    HA   PHE  19           HA       PHE  19 -10.233  -5.061 -14.971
  153    HB2  PHE  19           HB2      PHE  19 -10.840  -4.859 -12.708
  154    HB3  PHE  19           HB3      PHE  19 -12.391  -4.112 -13.076
  155    HD1  PHE  19           HD1      PHE  19 -10.503  -7.313 -13.064
  156    HD2  PHE  19           HD2      PHE  19 -14.367  -5.460 -13.601
  157    HE1  PHE  19           HE1      PHE  19 -11.590  -9.534 -12.933
  158    HE2  PHE  19           HE2      PHE  19 -15.447  -7.680 -13.429
  159    HZ   PHE  19           HZ       PHE  19 -14.066  -9.729 -13.121
  160    H    ASN  20           H        ASN  20 -11.116  -6.530 -16.309
  161    HA   ASN  20           HA       ASN  20 -13.368  -5.638 -18.032
  162    HB2  ASN  20           HB2      ASN  20 -11.140  -6.114 -19.075
  163    HB3  ASN  20           HB3      ASN  20 -11.309  -7.797 -18.561
  164   HD21  ASN  20          HD21      ASN  20 -13.302  -6.486 -21.847
  165   HD22  ASN  20          HD22      ASN  20 -12.178  -5.459 -20.969
  166    H    HIS  21           H        HIS  21 -15.313  -6.425 -17.478
  167    HA   HIS  21           HA       HIS  21 -15.523  -8.632 -15.617
  168    HB2  HIS  21           HB2      HIS  21 -17.686  -7.998 -15.310
  169    HB3  HIS  21           HB3      HIS  21 -16.974  -6.477 -15.841
  170    HD2  HIS  21           HD2      HIS  21 -17.905  -5.434 -18.137
  171    HE1  HIS  21           HE1      HIS  21 -20.813  -8.423 -19.017
  172    HE2  HIS  21           HE2      HIS  21 -19.952  -6.113 -19.647
  173    H    ILE  22           H        ILE  22 -15.560  -8.548 -19.047
  174    HA   ILE  22           HA       ILE  22 -17.091 -11.019 -19.423
  175    HB   ILE  22           HB       ILE  22 -15.507  -9.290 -21.363
  176   HG12  ILE  22          HG12      ILE  22 -18.507  -9.448 -20.798
  177   HG13  ILE  22          HG13      ILE  22 -17.426  -8.130 -20.311
  178   HG21  ILE  22          HG21      ILE  22 -17.468 -11.552 -21.947
  179   HG22  ILE  22          HG22      ILE  22 -16.715 -10.491 -23.158
  180   HG23  ILE  22          HG23      ILE  22 -15.714 -11.593 -22.233
  181   HD11  ILE  22          HD11      ILE  22 -18.590  -7.344 -22.188
  182   HD12  ILE  22          HD12      ILE  22 -16.942  -7.696 -22.747
  183   HD13  ILE  22          HD13      ILE  22 -18.277  -8.813 -23.130
  184    H    THR  23           H        THR  23 -13.689 -10.054 -19.448
  185    HA   THR  23           HA       THR  23 -12.819 -12.879 -19.930
  186    HB   THR  23           HB       THR  23 -10.722 -11.948 -20.719
  187    HG1  THR  23           HG1      THR  23 -11.926  -9.421 -20.398
  188   HG21  THR  23          HG21      THR  23 -11.456 -10.849 -22.749
  189   HG22  THR  23          HG22      THR  23 -12.594 -12.150 -22.354
  190   HG23  THR  23          HG23      THR  23 -13.035 -10.456 -22.038
  191    H    ASN  24           H        ASN  24 -13.061 -10.763 -17.333
  192    HA   ASN  24           HA       ASN  24 -12.237 -10.609 -15.292
  193    HB2  ASN  24           HB2      ASN  24 -12.746 -13.182 -15.552
  194    HB3  ASN  24           HB3      ASN  24 -10.991 -13.347 -15.376
  195   HD21  ASN  24          HD21      ASN  24 -10.133 -11.977 -13.387
  196   HD22  ASN  24          HD22      ASN  24 -11.104 -12.191 -11.917
  197    H    ALA  25           H        ALA  25 -10.489  -9.805 -17.588
  198    HA   ALA  25           HA       ALA  25  -7.757  -9.930 -16.523
  199    HB1  ALA  25           HB1      ALA  25  -7.220  -8.538 -18.468
  200    HB2  ALA  25           HB2      ALA  25  -8.207  -9.929 -18.956
  201    HB3  ALA  25           HB3      ALA  25  -8.945  -8.317 -18.819
  202    H    SER  26           H        SER  26  -6.518  -7.967 -15.968
  203    HA   SER  26           HA       SER  26  -7.994  -5.527 -15.362
  204    HB2  SER  26           HB2      SER  26  -7.292  -5.350 -13.025
  205    HB3  SER  26           HB3      SER  26  -8.384  -6.713 -13.276
  206    HG   SER  26           HG       SER  26  -6.618  -8.104 -13.216
  207    H    GLN  27           H        GLN  27  -6.726  -3.682 -15.071
  208    HA   GLN  27           HA       GLN  27  -3.813  -3.835 -15.050
  209    HB2  GLN  27           HB2      GLN  27  -3.418  -2.715 -17.132
  210    HB3  GLN  27           HB3      GLN  27  -4.313  -4.209 -17.431
  211    HG2  GLN  27           HG2      GLN  27  -6.339  -3.027 -17.904
  212    HG3  GLN  27           HG3      GLN  27  -5.665  -1.496 -17.365
  213   HE21  GLN  27          HE21      GLN  27  -4.274  -0.345 -18.757
  214   HE22  GLN  27          HE22      GLN  27  -3.884  -0.891 -20.398
  215    H    PHE  28           H        PHE  28  -2.775  -1.723 -14.728
  216    HA   PHE  28           HA       PHE  28  -4.425  -0.149 -12.898
  217    HB2  PHE  28           HB2      PHE  28  -2.323  -0.915 -12.119
  218    HB3  PHE  28           HB3      PHE  28  -1.480  -0.322 -13.558
  219    HD1  PHE  28           HD1      PHE  28  -0.733   1.921 -13.752
  220    HD2  PHE  28           HD2      PHE  28  -3.208   0.755 -10.426
  221    HE1  PHE  28           HE1      PHE  28  -0.258   4.100 -12.642
  222    HE2  PHE  28           HE2      PHE  28  -2.727   2.924  -9.304
  223    HZ   PHE  28           HZ       PHE  28  -1.251   4.596 -10.406
  224    H    GLU  29           H        GLU  29  -2.491   0.586 -15.819
  225    HA   GLU  29           HA       GLU  29  -3.602   3.328 -16.019
  226    HB2  GLU  29           HB2      GLU  29  -2.213   3.557 -17.962
  227    HB3  GLU  29           HB3      GLU  29  -1.250   3.007 -16.601
  228    HG2  GLU  29           HG2      GLU  29  -2.302   1.052 -18.698
  229    HG3  GLU  29           HG3      GLU  29  -0.859   2.007 -18.971
  230    H    ARG  30           H        ARG  30  -4.748   3.964 -18.132
  231    HA   ARG  30           HA       ARG  30  -6.976   2.245 -18.177
  232    HB2  ARG  30           HB2      ARG  30  -8.115   3.761 -19.647
  233    HB3  ARG  30           HB3      ARG  30  -7.354   4.532 -18.283
  234    HG2  ARG  30           HG2      ARG  30  -7.204   5.957 -20.131
  235    HG3  ARG  30           HG3      ARG  30  -5.567   5.432 -19.718
  236    HD2  ARG  30           HD2      ARG  30  -6.048   5.648 -22.178
  237    HD3  ARG  30           HD3      ARG  30  -5.408   4.095 -21.689
  238    HE   ARG  30           HE       ARG  30  -7.332   3.070 -22.449
  239   HH11  ARG  30          HH11      ARG  30  -8.212   6.465 -22.123
  240   HH12  ARG  30          HH12      ARG  30  -9.771   6.172 -22.860
  241   HH21  ARG  30          HH21      ARG  30  -9.230   2.810 -23.299
  242   HH22  ARG  30          HH22      ARG  30 -10.370   4.150 -23.471
  243    HA   PRO  31           HA       PRO  31  -6.202  -0.710 -21.282
  244    HB2  PRO  31           HB2      PRO  31  -8.711  -1.688 -21.759
  245    HB3  PRO  31           HB3      PRO  31  -7.836  -1.932 -20.212
  246    HG2  PRO  31           HG2      PRO  31  -9.885   0.218 -20.861
  247    HG3  PRO  31           HG3      PRO  31  -9.863  -0.888 -19.448
  248    HD2  PRO  31           HD2      PRO  31  -8.870   1.608 -19.246
  249    HD3  PRO  31           HD3      PRO  31  -8.021   0.224 -18.490
  250    H    SER  32           H        SER  32  -6.202  -1.131 -23.459
  251    HA   SER  32           HA       SER  32  -7.607   0.790 -25.284
  252    HB2  SER  32           HB2      SER  32  -4.723  -0.137 -25.511
  253    HB3  SER  32           HB3      SER  32  -5.586   0.933 -26.642
  254    HG   SER  32           HG       SER  32  -4.930   1.442 -23.925
  255    H    GLY  33           H        GLY  33  -7.609  -2.371 -24.527
  256    HA2  GLY  33           HA2      GLY  33  -9.046  -3.252 -26.760
  257    HA3  GLY  33           HA3      GLY  33  -7.379  -3.753 -27.051
  258    H1   4N2 101           H1       4N2  34  -3.492  -0.588  -3.721
  259    H2   4N2 101           H2       4N2  34  -4.186  -2.951  -3.692
  260    H3   4N2 101           H3       4N2  34  -2.265  -3.981  -4.982
  261    H4   4N2 101           H4       4N2  34  -0.263  -2.501  -5.426
  262    H5   4N2 101           H5       4N2  34  -1.164  -0.343  -4.750
  263    H62  4N2 101           H62      4N2  34   1.062  -1.058  -2.783
  264    H61  4N2 101           H61      4N2  34   1.312  -0.645  -4.482
  265    HO2  4N2 101           H2O      4N2  34  -3.438  -3.788  -1.764
  266    HO3  4N2 101           H3O      4N2  34  -3.636  -2.622  -6.143
  267    HO4  4N2 101           H4O      4N2  34  -0.778  -3.577  -2.834
  268    HO6  4N2 101           H6O      4N2  34   0.022   1.037  -2.556
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -17.274   4.274 -22.841
    2    H2   LYS   1           H2       LYS   1 -16.718   4.837 -24.277
    3    H3   LYS   1           H3       LYS   1 -17.597   5.807 -23.304
    4    HA   LYS   1           HA       LYS   1 -15.306   6.435 -23.215
    5    HB2  LYS   1           HB2      LYS   1 -16.731   6.755 -21.217
    6    HB3  LYS   1           HB3      LYS   1 -16.197   5.195 -20.580
    7    HG2  LYS   1           HG2      LYS   1 -13.853   6.030 -20.498
    8    HG3  LYS   1           HG3      LYS   1 -14.354   7.533 -21.280
    9    HD2  LYS   1           HD2      LYS   1 -14.078   7.964 -18.940
   10    HD3  LYS   1           HD3      LYS   1 -15.804   8.055 -19.315
   11    HE2  LYS   1           HE2      LYS   1 -16.088   5.721 -18.442
   12    HE3  LYS   1           HE3      LYS   1 -14.360   5.672 -18.058
   13    HZ1  LYS   1           HZ1      LYS   1 -15.698   6.282 -16.120
   14    HZ2  LYS   1           HZ2      LYS   1 -14.727   7.534 -16.525
   15    HZ3  LYS   1           HZ3      LYS   1 -16.319   7.580 -16.890
   16    H    LEU   2           H        LEU   2 -15.392   3.265 -21.447
   17    HA   LEU   2           HA       LEU   2 -12.644   2.711 -22.338
   18    HB2  LEU   2           HB2      LEU   2 -14.573   1.135 -20.586
   19    HB3  LEU   2           HB3      LEU   2 -12.962   0.634 -20.991
   20    HG   LEU   2           HG       LEU   2 -12.558   1.398 -18.947
   21   HD11  LEU   2          HD11      LEU   2 -11.393   3.501 -18.949
   22   HD12  LEU   2          HD12      LEU   2 -11.096   2.691 -20.493
   23   HD13  LEU   2          HD13      LEU   2 -12.246   4.049 -20.396
   24   HD21  LEU   2          HD21      LEU   2 -13.588   3.277 -17.818
   25   HD22  LEU   2          HD22      LEU   2 -14.503   3.693 -19.289
   26   HD23  LEU   2          HD23      LEU   2 -14.805   2.154 -18.443
   27    HA   PRO   3           HA       PRO   3 -13.718  -0.112 -25.666
   28    HB2  PRO   3           HB2      PRO   3 -11.750  -2.036 -25.461
   29    HB3  PRO   3           HB3      PRO   3 -11.466  -0.378 -26.080
   30    HG2  PRO   3           HG2      PRO   3 -11.016  -1.418 -23.266
   31    HG3  PRO   3           HG3      PRO   3  -9.881  -0.496 -24.290
   32    HD2  PRO   3           HD2      PRO   3 -11.400   0.712 -22.419
   33    HD3  PRO   3           HD3      PRO   3 -11.099   1.500 -23.986
   34    HA   PRO   4           HA       PRO   4 -16.464  -3.095 -24.402
   35    HB2  PRO   4           HB2      PRO   4 -15.003  -5.302 -25.876
   36    HB3  PRO   4           HB3      PRO   4 -16.761  -4.932 -25.853
   37    HG2  PRO   4           HG2      PRO   4 -15.262  -4.058 -27.914
   38    HG3  PRO   4           HG3      PRO   4 -16.421  -2.927 -27.135
   39    HD2  PRO   4           HD2      PRO   4 -13.430  -3.149 -26.712
   40    HD3  PRO   4           HD3      PRO   4 -14.437  -1.685 -26.940
   41    H    GLY   5           H        GLY   5 -16.964  -4.082 -22.603
   42    HA2  GLY   5           HA2      GLY   5 -16.966  -5.572 -20.838
   43    HA3  GLY   5           HA3      GLY   5 -15.410  -6.228 -21.375
   44    H    TRP   6           H        TRP   6 -14.426  -3.196 -21.237
   45    HA   TRP   6           HA       TRP   6 -13.322  -3.520 -18.553
   46    HB2  TRP   6           HB2      TRP   6 -12.866  -1.508 -20.748
   47    HB3  TRP   6           HB3      TRP   6 -12.029  -1.464 -19.193
   48    HD1  TRP   6           HD1      TRP   6 -12.165  -3.277 -22.510
   49    HE1  TRP   6           HE1      TRP   6 -10.120  -4.792 -22.805
   50    HE3  TRP   6           HE3      TRP   6 -10.269  -3.016 -17.751
   51    HZ2  TRP   6           HZ2      TRP   6  -8.142  -6.000 -21.128
   52    HZ3  TRP   6           HZ3      TRP   6  -8.265  -4.365 -17.140
   53    HH2  TRP   6           HH2      TRP   6  -7.215  -5.879 -18.797
   54    H    GLU   7           H        GLU   7 -13.655  -2.378 -16.758
   55    HA   GLU   7           HA       GLU   7 -15.083   0.208 -16.754
   56    HB2  GLU   7           HB2      GLU   7 -16.821  -1.569 -16.544
   57    HB3  GLU   7           HB3      GLU   7 -15.996  -2.194 -15.110
   58    HG2  GLU   7           HG2      GLU   7 -16.478  -0.147 -13.882
   59    HG3  GLU   7           HG3      GLU   7 -17.042   0.655 -15.353
   60    H    LYS   8           H        LYS   8 -14.728   1.423 -14.754
   61    HA   LYS   8           HA       LYS   8 -12.140   0.965 -13.533
   62    HB2  LYS   8           HB2      LYS   8 -14.319   3.030 -13.094
   63    HB3  LYS   8           HB3      LYS   8 -12.899   2.922 -12.038
   64    HG2  LYS   8           HG2      LYS   8 -11.388   3.145 -13.950
   65    HG3  LYS   8           HG3      LYS   8 -12.778   3.198 -15.054
   66    HD2  LYS   8           HD2      LYS   8 -12.030   5.447 -14.782
   67    HD3  LYS   8           HD3      LYS   8 -13.530   5.308 -13.845
   68    HE2  LYS   8           HE2      LYS   8 -12.148   4.955 -11.773
   69    HE3  LYS   8           HE3      LYS   8 -10.682   5.130 -12.751
   70    HZ1  LYS   8           HZ1      LYS   8 -12.745   7.236 -12.374
   71    HZ2  LYS   8           HZ2      LYS   8 -11.279   7.215 -11.658
   72    HZ3  LYS   8           HZ3      LYS   8 -11.390   7.401 -13.276
   73    H    ARG   9           H        ARG   9 -11.600   0.492 -11.586
   74    HA   ARG   9           HA       ARG   9 -13.469  -0.354  -9.449
   75    HB2  ARG   9           HB2      ARG   9 -13.037  -2.306 -11.029
   76    HB3  ARG   9           HB3      ARG   9 -11.347  -2.263 -10.536
   77    HG2  ARG   9           HG2      ARG   9 -11.914  -2.890  -8.278
   78    HG3  ARG   9           HG3      ARG   9 -13.643  -2.575  -8.538
   79    HD2  ARG   9           HD2      ARG   9 -12.098  -4.704 -10.069
   80    HD3  ARG   9           HD3      ARG   9 -12.879  -5.007  -8.500
   81    HE   ARG   9           HE       ARG   9 -14.772  -3.817 -10.295
   82   HH11  ARG   9          HH11      ARG   9 -16.442  -5.031 -11.107
   83   HH12  ARG   9          HH12      ARG   9 -16.309  -6.768 -11.156
   84   HH21  ARG   9          HH21      ARG   9 -13.171  -6.890  -9.787
   85   HH22  ARG   9          HH22      ARG   9 -14.493  -7.792 -10.480
   86    H    MET  10           H        MET  10 -12.087  -1.012  -7.420
   87    HA   MET  10           HA       MET  10  -9.526   0.427  -7.217
   88    HB2  MET  10           HB2      MET  10 -11.401   2.147  -7.023
   89    HB3  MET  10           HB3      MET  10 -11.935   1.291  -5.564
   90    HG2  MET  10           HG2      MET  10  -9.615   1.727  -4.601
   91    HG3  MET  10           HG3      MET  10  -9.274   2.674  -6.041
   92    HE1  MET  10           HE1      MET  10 -12.075   3.837  -2.560
   93    HE2  MET  10           HE2      MET  10 -12.455   2.434  -3.580
   94    HE3  MET  10           HE3      MET  10 -10.969   2.447  -2.602
   95    H    PHE  11           H        PHE  11  -8.268  -0.243  -5.563
   96    HA   PHE  11           HA       PHE  11  -9.025  -2.569  -3.941
   97    HB2  PHE  11           HB2      PHE  11  -6.526  -0.841  -4.078
   98    HB3  PHE  11           HB3      PHE  11  -6.697  -2.226  -3.016
   99    HD1  PHE  11           HD1      PHE  11  -6.003  -1.157  -6.444
  100    HD2  PHE  11           HD2      PHE  11  -6.937  -4.539  -3.938
  101    HE1  PHE  11           HE1      PHE  11  -5.186  -2.692  -8.212
  102    HE2  PHE  11           HE2      PHE  11  -6.104  -6.073  -5.705
  103    HZ   PHE  11           HZ       PHE  11  -5.229  -5.152  -7.846
  104    H    ALA  12           H        ALA  12  -8.942  -2.627  -1.617
  105    HA   ALA  12           HA       ALA  12 -10.433  -0.619  -0.311
  106    HB1  ALA  12           HB1      ALA  12  -9.958  -1.949   1.712
  107    HB2  ALA  12           HB2      ALA  12 -10.346  -3.001   0.338
  108    HB3  ALA  12           HB3      ALA  12  -8.654  -2.806   0.861
  109    H    ASN  13           H        ASN  13  -7.008  -0.693  -0.843
  110    HA   ASN  13           HA       ASN  13  -6.319   1.224   1.259
  111    HB2  ASN  13           HB2      ASN  13  -4.067   1.066   0.340
  112    HB3  ASN  13           HB3      ASN  13  -4.768  -0.540   0.579
  113   HD21  ASN  13          HD21      ASN  13  -3.281  -1.475  -0.906
  114    H    GLY  14           H        GLY  14  -7.934   1.667  -1.657
  115    HA2  GLY  14           HA2      GLY  14  -8.674   3.743  -2.454
  116    HA3  GLY  14           HA3      GLY  14  -7.298   4.566  -1.704
  117    H    THR  15           H        THR  15  -6.393   1.782  -3.582
  118    HA   THR  15           HA       THR  15  -5.278   3.546  -5.700
  119    HB   THR  15           HB       THR  15  -4.821   0.583  -5.218
  120    HG1  THR  15           HG1      THR  15  -4.018   1.665  -3.551
  121   HG21  THR  15          HG21      THR  15  -3.314   2.600  -6.939
  122   HG22  THR  15          HG22      THR  15  -2.783   0.941  -6.588
  123   HG23  THR  15          HG23      THR  15  -4.254   1.208  -7.529
  124    H    VAL  16           H        VAL  16  -6.157   3.744  -7.668
  125    HA   VAL  16           HA       VAL  16  -8.564   2.169  -8.349
  126    HB   VAL  16           HB       VAL  16  -7.405   4.773  -9.377
  127   HG11  VAL  16          HG11      VAL  16  -8.514   3.742 -11.292
  128   HG12  VAL  16          HG12      VAL  16  -9.948   3.374 -10.300
  129   HG13  VAL  16          HG13      VAL  16  -9.502   5.057 -10.659
  130   HG21  VAL  16          HG21      VAL  16  -9.988   4.145  -7.878
  131   HG22  VAL  16          HG22      VAL  16  -8.530   4.855  -7.150
  132   HG23  VAL  16          HG23      VAL  16  -9.426   5.752  -8.379
  133    H    TYR  17           H        TYR  17  -8.874   1.035 -10.194
  134    HA   TYR  17           HA       TYR  17  -6.791   0.775 -12.243
  135    HB2  TYR  17           HB2      TYR  17  -6.465  -1.579 -11.976
  136    HB3  TYR  17           HB3      TYR  17  -6.087  -0.805 -10.465
  137    HD1  TYR  17           HD1      TYR  17  -7.652  -1.040  -8.499
  138    HD2  TYR  17           HD2      TYR  17  -8.185  -3.257 -12.162
  139    HE1  TYR  17           HE1      TYR  17  -8.932  -2.780  -7.265
  140    HE2  TYR  17           HE2      TYR  17  -9.531  -4.957 -10.936
  141    HH   TYR  17           HH       TYR  17  -9.853  -4.870  -7.384
  142    H    TYR  18           H        TYR  18  -7.591  -1.101 -13.808
  143    HA   TYR  18           HA       TYR  18 -10.508  -0.735 -14.347
  144    HB2  TYR  18           HB2      TYR  18  -8.208  -0.930 -16.323
  145    HB3  TYR  18           HB3      TYR  18  -9.929  -0.871 -16.734
  146    HD1  TYR  18           HD1      TYR  18 -11.127   1.211 -16.826
  147    HD2  TYR  18           HD2      TYR  18  -7.128   1.081 -15.208
  148    HE1  TYR  18           HE1      TYR  18 -11.084   3.698 -16.695
  149    HE2  TYR  18           HE2      TYR  18  -7.116   3.560 -15.025
  150    HH   TYR  18           HH       TYR  18  -8.305   5.486 -15.356
  151    H    PHE  19           H        PHE  19 -11.675  -2.515 -14.660
  152    HA   PHE  19           HA       PHE  19 -10.338  -5.188 -14.822
  153    HB2  PHE  19           HB2      PHE  19 -11.065  -4.961 -12.579
  154    HB3  PHE  19           HB3      PHE  19 -12.610  -4.256 -13.044
  155    HD1  PHE  19           HD1      PHE  19 -10.640  -7.393 -12.855
  156    HD2  PHE  19           HD2      PHE  19 -14.495  -5.681 -13.786
  157    HE1  PHE  19           HE1      PHE  19 -11.659  -9.653 -12.817
  158    HE2  PHE  19           HE2      PHE  19 -15.510  -7.933 -13.691
  159    HZ   PHE  19           HZ       PHE  19 -14.096  -9.929 -13.228
  160    H    ASN  20           H        ASN  20 -11.205  -6.652 -16.188
  161    HA   ASN  20           HA       ASN  20 -13.373  -5.714 -17.987
  162    HB2  ASN  20           HB2      ASN  20 -11.129  -6.189 -18.944
  163    HB3  ASN  20           HB3      ASN  20 -11.314  -7.879 -18.459
  164   HD21  ASN  20          HD21      ASN  20 -11.430  -6.058 -21.110
  165   HD22  ASN  20          HD22      ASN  20 -12.742  -6.831 -21.984
  166    H    HIS  21           H        HIS  21 -15.337  -6.510 -17.606
  167    HA   HIS  21           HA       HIS  21 -15.702  -8.766 -15.808
  168    HB2  HIS  21           HB2      HIS  21 -17.860  -8.084 -15.606
  169    HB3  HIS  21           HB3      HIS  21 -17.089  -6.565 -16.048
  170    HD2  HIS  21           HD2      HIS  21 -17.844  -5.434 -18.364
  171    HE1  HIS  21           HE1      HIS  21 -20.750  -8.329 -19.526
  172    HE2  HIS  21           HE2      HIS  21 -19.797  -6.022 -20.027
  173    H    ILE  22           H        ILE  22 -15.390  -8.596 -19.202
  174    HA   ILE  22           HA       ILE  22 -16.955 -11.036 -19.782
  175    HB   ILE  22           HB       ILE  22 -15.274  -9.239 -21.579
  176   HG12  ILE  22          HG12      ILE  22 -18.300  -9.357 -21.131
  177   HG13  ILE  22          HG13      ILE  22 -17.219  -8.064 -20.583
  178   HG21  ILE  22          HG21      ILE  22 -15.508 -11.523 -22.517
  179   HG22  ILE  22          HG22      ILE  22 -17.272 -11.425 -22.320
  180   HG23  ILE  22          HG23      ILE  22 -16.418 -10.360 -23.458
  181   HD11  ILE  22          HD11      ILE  22 -16.652  -7.591 -22.995
  182   HD12  ILE  22          HD12      ILE  22 -17.986  -8.686 -23.442
  183   HD13  ILE  22          HD13      ILE  22 -18.314  -7.232 -22.485
  184    H    THR  23           H        THR  23 -13.559  -9.971 -19.673
  185    HA   THR  23           HA       THR  23 -12.601 -12.724 -20.280
  186    HB   THR  23           HB       THR  23 -10.502 -11.697 -20.847
  187    HG1  THR  23           HG1      THR  23 -10.602  -9.293 -20.786
  188   HG21  THR  23          HG21      THR  23 -11.099 -10.274 -22.700
  189   HG22  THR  23          HG22      THR  23 -12.345 -11.527 -22.566
  190   HG23  THR  23          HG23      THR  23 -12.673  -9.878 -21.986
  191    H    ASN  24           H        ASN  24 -13.089 -10.865 -17.519
  192    HA   ASN  24           HA       ASN  24 -12.411 -10.850 -15.414
  193    HB2  ASN  24           HB2      ASN  24 -12.922 -13.319 -15.674
  194    HB3  ASN  24           HB3      ASN  24 -11.177 -13.587 -15.824
  195   HD21  ASN  24          HD21      ASN  24 -10.991 -13.854 -12.311
  196   HD22  ASN  24          HD22      ASN  24 -10.467 -14.436 -13.894
  197    H    ALA  25           H        ALA  25 -10.478  -9.989 -17.643
  198    HA   ALA  25           HA       ALA  25  -7.845 -10.102 -16.384
  199    HB1  ALA  25           HB1      ALA  25  -7.172  -8.726 -18.290
  200    HB2  ALA  25           HB2      ALA  25  -8.168 -10.085 -18.846
  201    HB3  ALA  25           HB3      ALA  25  -8.868  -8.452 -18.730
  202    H    SER  26           H        SER  26  -6.609  -8.155 -15.801
  203    HA   SER  26           HA       SER  26  -8.082  -5.689 -15.260
  204    HB2  SER  26           HB2      SER  26  -7.372  -5.508 -12.920
  205    HB3  SER  26           HB3      SER  26  -8.470  -6.867 -13.173
  206    HG   SER  26           HG       SER  26  -6.701  -7.464 -11.875
  207    H    GLN  27           H        GLN  27  -6.801  -3.853 -15.008
  208    HA   GLN  27           HA       GLN  27  -3.892  -4.041 -14.913
  209    HB2  GLN  27           HB2      GLN  27  -3.402  -2.937 -16.967
  210    HB3  GLN  27           HB3      GLN  27  -4.377  -4.361 -17.336
  211    HG2  GLN  27           HG2      GLN  27  -6.360  -2.952 -17.703
  212    HG3  GLN  27           HG3      GLN  27  -5.465  -1.522 -17.206
  213   HE21  GLN  27          HE21      GLN  27  -5.049  -0.292 -18.983
  214   HE22  GLN  27          HE22      GLN  27  -4.437  -0.940 -20.520
  215    H    PHE  28           H        PHE  28  -2.863  -1.993 -14.427
  216    HA   PHE  28           HA       PHE  28  -4.503  -0.362 -12.707
  217    HB2  PHE  28           HB2      PHE  28  -2.306  -0.987 -12.051
  218    HB3  PHE  28           HB3      PHE  28  -1.598  -0.391 -13.559
  219    HD1  PHE  28           HD1      PHE  28  -0.922   1.849 -13.829
  220    HD2  PHE  28           HD2      PHE  28  -3.213   0.701 -10.370
  221    HE1  PHE  28           HE1      PHE  28  -0.446   4.063 -12.786
  222    HE2  PHE  28           HE2      PHE  28  -2.740   2.910  -9.320
  223    HZ   PHE  28           HZ       PHE  28  -1.353   4.588 -10.521
  224    H    GLU  29           H        GLU  29  -3.063   0.220 -15.912
  225    HA   GLU  29           HA       GLU  29  -3.874   3.063 -15.857
  226    HB2  GLU  29           HB2      GLU  29  -2.470   3.351 -17.762
  227    HB3  GLU  29           HB3      GLU  29  -1.599   2.453 -16.514
  228    HG2  GLU  29           HG2      GLU  29  -2.227   0.314 -17.789
  229    HG3  GLU  29           HG3      GLU  29  -2.805   1.355 -19.092
  230    H    ARG  30           H        ARG  30  -5.013   4.084 -17.603
  231    HA   ARG  30           HA       ARG  30  -7.489   2.825 -18.084
  232    HB2  ARG  30           HB2      ARG  30  -7.237   5.187 -17.776
  233    HB3  ARG  30           HB3      ARG  30  -6.287   5.363 -19.238
  234    HG2  ARG  30           HG2      ARG  30  -9.031   4.141 -19.507
  235    HG3  ARG  30           HG3      ARG  30  -8.954   5.859 -19.088
  236    HD2  ARG  30           HD2      ARG  30  -8.257   6.504 -21.141
  237    HD3  ARG  30           HD3      ARG  30  -7.117   5.176 -21.283
  238    HE   ARG  30           HE       ARG  30  -8.710   3.786 -22.256
  239   HH11  ARG  30          HH11      ARG  30 -10.331   6.831 -21.538
  240   HH12  ARG  30          HH12      ARG  30 -11.618   6.448 -22.658
  241   HH21  ARG  30          HH21      ARG  30 -10.289   3.430 -23.594
  242   HH22  ARG  30          HH22      ARG  30 -11.665   4.528 -23.701
  243    HA   PRO  31           HA       PRO  31  -6.224   0.346 -21.550
  244    HB2  PRO  31           HB2      PRO  31  -8.564  -0.965 -22.129
  245    HB3  PRO  31           HB3      PRO  31  -7.577  -1.299 -20.672
  246    HG2  PRO  31           HG2      PRO  31  -9.977   0.548 -20.890
  247    HG3  PRO  31           HG3      PRO  31  -9.704  -0.759 -19.701
  248    HD2  PRO  31           HD2      PRO  31  -9.142   1.808 -19.110
  249    HD3  PRO  31           HD3      PRO  31  -8.020   0.507 -18.595
  250    H    SER  32           H        SER  32  -5.993   0.615 -23.689
  251    HA   SER  32           HA       SER  32  -5.994   1.667 -25.682
  252    HB2  SER  32           HB2      SER  32  -9.006   1.373 -25.504
  253    HB3  SER  32           HB3      SER  32  -8.062   1.688 -26.980
  254    HG   SER  32           HG       SER  32  -7.848  -0.587 -25.291
  255    H    GLY  33           H        GLY  33  -5.798   3.464 -23.505
  256    HA2  GLY  33           HA2      GLY  33  -7.225   5.939 -23.960
  257    HA3  GLY  33           HA3      GLY  33  -5.716   5.738 -23.067
  258    H1   4N2 101           H1       4N2  34  -3.644  -0.731  -3.756
  259    H2   4N2 101           H2       4N2  34  -4.188  -3.106  -3.522
  260    H3   4N2 101           H3       4N2  34  -2.246  -4.137  -4.807
  261    H4   4N2 101           H4       4N2  34  -0.371  -2.580  -5.466
  262    H5   4N2 101           H5       4N2  34  -1.435  -0.431  -4.925
  263    H62  4N2 101           H62      4N2  34   0.312   0.712  -3.557
  264    H61  4N2 101           H61      4N2  34   1.035  -0.853  -3.179
  265    HO2  4N2 101           H2O      4N2  34  -3.029  -4.539  -2.309
  266    HO3  4N2 101           H3O      4N2  34  -3.768  -2.950  -6.001
  267    HO4  4N2 101           H4O      4N2  34  -0.667  -3.358  -2.724
  268    HO6  4N2 101           H6O      4N2  34   2.031   0.168  -5.013
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1 -16.308   5.986 -23.608
    2    H2   LYS   1           H2       LYS   1 -17.515   6.540 -22.662
    3    H3   LYS   1           H3       LYS   1 -17.244   4.932 -22.774
    4    HA   LYS   1           HA       LYS   1 -15.410   6.924 -21.609
    5    HB2  LYS   1           HB2      LYS   1 -17.440   6.498 -20.222
    6    HB3  LYS   1           HB3      LYS   1 -17.004   4.796 -20.125
    7    HG2  LYS   1           HG2      LYS   1 -14.778   5.553 -19.068
    8    HG3  LYS   1           HG3      LYS   1 -15.425   7.193 -19.086
    9    HD2  LYS   1           HD2      LYS   1 -15.785   6.355 -16.893
   10    HD3  LYS   1           HD3      LYS   1 -17.372   6.344 -17.677
   11    HE2  LYS   1           HE2      LYS   1 -17.062   3.890 -18.167
   12    HE3  LYS   1           HE3      LYS   1 -15.496   3.949 -17.347
   13    HZ1  LYS   1           HZ1      LYS   1 -17.147   3.147 -15.834
   14    HZ2  LYS   1           HZ2      LYS   1 -16.718   4.636 -15.317
   15    HZ3  LYS   1           HZ3      LYS   1 -18.143   4.424 -16.095
   16    H    LEU   2           H        LEU   2 -15.794   3.412 -21.022
   17    HA   LEU   2           HA       LEU   2 -12.913   2.995 -21.609
   18    HB2  LEU   2           HB2      LEU   2 -14.836   1.994 -19.590
   19    HB3  LEU   2           HB3      LEU   2 -14.019   0.699 -20.423
   20    HG   LEU   2           HG       LEU   2 -11.837   1.589 -19.827
   21   HD11  LEU   2          HD11      LEU   2 -12.214   3.984 -19.735
   22   HD12  LEU   2          HD12      LEU   2 -13.302   3.792 -18.338
   23   HD13  LEU   2          HD13      LEU   2 -11.572   3.407 -18.188
   24   HD21  LEU   2          HD21      LEU   2 -13.303   0.159 -18.258
   25   HD22  LEU   2          HD22      LEU   2 -11.858   0.913 -17.618
   26   HD23  LEU   2          HD23      LEU   2 -13.467   1.622 -17.280
   27    HA   PRO   3           HA       PRO   3 -13.853   0.511 -25.134
   28    HB2  PRO   3           HB2      PRO   3 -11.835  -1.337 -25.214
   29    HB3  PRO   3           HB3      PRO   3 -11.582   0.416 -25.474
   30    HG2  PRO   3           HG2      PRO   3 -11.066  -1.205 -22.996
   31    HG3  PRO   3           HG3      PRO   3 -10.084   0.099 -23.694
   32    HD2  PRO   3           HD2      PRO   3 -11.925   0.341 -21.604
   33    HD3  PRO   3           HD3      PRO   3 -11.351   1.719 -22.586
   34    HA   PRO   4           HA       PRO   4 -16.555  -2.712 -24.448
   35    HB2  PRO   4           HB2      PRO   4 -14.986  -4.591 -26.233
   36    HB3  PRO   4           HB3      PRO   4 -16.757  -4.296 -26.186
   37    HG2  PRO   4           HG2      PRO   4 -15.272  -3.031 -28.042
   38    HG3  PRO   4           HG3      PRO   4 -16.479  -2.090 -27.099
   39    HD2  PRO   4           HD2      PRO   4 -13.486  -2.276 -26.668
   40    HD3  PRO   4           HD3      PRO   4 -14.543  -0.829 -26.667
   41    H    GLY   5           H        GLY   5 -17.017  -3.952 -22.803
   42    HA2  GLY   5           HA2      GLY   5 -16.954  -5.676 -21.253
   43    HA3  GLY   5           HA3      GLY   5 -15.370  -6.185 -21.866
   44    H    TRP   6           H        TRP   6 -14.592  -3.097 -21.312
   45    HA   TRP   6           HA       TRP   6 -13.543  -3.718 -18.630
   46    HB2  TRP   6           HB2      TRP   6 -12.989  -1.453 -20.549
   47    HB3  TRP   6           HB3      TRP   6 -12.216  -1.656 -18.976
   48    HD1  TRP   6           HD1      TRP   6 -12.281  -3.143 -22.474
   49    HE1  TRP   6           HE1      TRP   6 -10.176  -4.548 -22.858
   50    HE3  TRP   6           HE3      TRP   6 -10.421  -3.137 -17.694
   51    HZ2  TRP   6           HZ2      TRP   6  -8.126  -5.773 -21.250
   52    HZ3  TRP   6           HZ3      TRP   6  -8.365  -4.447 -17.157
   53    HH2  TRP   6           HH2      TRP   6  -7.234  -5.782 -18.910
   54    H    GLU   7           H        GLU   7 -13.862  -2.621 -16.768
   55    HA   GLU   7           HA       GLU   7 -15.409  -0.116 -16.701
   56    HB2  GLU   7           HB2      GLU   7 -17.067  -1.954 -16.442
   57    HB3  GLU   7           HB3      GLU   7 -16.158  -2.584 -15.075
   58    HG2  GLU   7           HG2      GLU   7 -18.164  -1.368 -14.380
   59    HG3  GLU   7           HG3      GLU   7 -16.713  -0.625 -13.739
   60    H    LYS   8           H        LYS   8 -15.112   1.069 -14.677
   61    HA   LYS   8           HA       LYS   8 -12.443   0.833 -13.523
   62    HB2  LYS   8           HB2      LYS   8 -14.808   2.680 -13.076
   63    HB3  LYS   8           HB3      LYS   8 -13.424   2.678 -11.972
   64    HG2  LYS   8           HG2      LYS   8 -11.873   3.160 -13.774
   65    HG3  LYS   8           HG3      LYS   8 -13.174   3.041 -14.977
   66    HD2  LYS   8           HD2      LYS   8 -12.693   5.374 -14.578
   67    HD3  LYS   8           HD3      LYS   8 -14.292   5.015 -13.906
   68    HE2  LYS   8           HE2      LYS   8 -13.294   4.833 -11.634
   69    HE3  LYS   8           HE3      LYS   8 -11.688   5.140 -12.308
   70    HZ1  LYS   8           HZ1      LYS   8 -12.477   7.338 -13.003
   71    HZ2  LYS   8           HZ2      LYS   8 -13.962   7.052 -12.382
   72    HZ3  LYS   8           HZ3      LYS   8 -12.670   7.160 -11.393
   73    H    ARG   9           H        ARG   9 -11.846   0.335 -11.578
   74    HA   ARG   9           HA       ARG   9 -13.663  -0.598  -9.444
   75    HB2  ARG   9           HB2      ARG   9 -13.147  -2.533 -11.048
   76    HB3  ARG   9           HB3      ARG   9 -11.485  -2.466 -10.477
   77    HG2  ARG   9           HG2      ARG   9 -12.148  -3.104  -8.247
   78    HG3  ARG   9           HG3      ARG   9 -13.864  -2.784  -8.579
   79    HD2  ARG   9           HD2      ARG   9 -12.268  -4.924 -10.040
   80    HD3  ARG   9           HD3      ARG   9 -13.132  -5.220  -8.512
   81    HE   ARG   9           HE       ARG   9 -14.915  -4.007 -10.401
   82   HH11  ARG   9          HH11      ARG   9 -16.428  -6.931 -11.383
   83   HH12  ARG   9          HH12      ARG   9 -16.540  -5.192 -11.331
   84   HH21  ARG   9          HH21      ARG   9 -14.676  -7.983 -10.597
   85   HH22  ARG   9          HH22      ARG   9 -13.391  -7.107  -9.810
   86    H    MET  10           H        MET  10 -12.269  -1.209  -7.408
   87    HA   MET  10           HA       MET  10  -9.847   0.470  -7.160
   88    HB2  MET  10           HB2      MET  10 -11.758   2.037  -7.108
   89    HB3  MET  10           HB3      MET  10 -12.485   1.116  -5.777
   90    HG2  MET  10           HG2      MET  10 -10.611   1.716  -4.316
   91    HG3  MET  10           HG3      MET  10  -9.802   2.542  -5.658
   92    HE1  MET  10           HE1      MET  10 -10.308   3.878  -2.826
   93    HE2  MET  10           HE2      MET  10  -9.507   4.705  -4.187
   94    HE3  MET  10           HE3      MET  10 -10.833   5.505  -3.316
   95    H    PHE  11           H        PHE  11  -8.563  -0.040  -5.515
   96    HA   PHE  11           HA       PHE  11  -9.156  -2.358  -3.789
   97    HB2  PHE  11           HB2      PHE  11  -6.681  -0.644  -4.202
   98    HB3  PHE  11           HB3      PHE  11  -6.764  -1.993  -3.086
   99    HD1  PHE  11           HD1      PHE  11  -7.119  -4.337  -3.936
  100    HD2  PHE  11           HD2      PHE  11  -6.272  -1.022  -6.564
  101    HE1  PHE  11           HE1      PHE  11  -6.377  -5.919  -5.702
  102    HE2  PHE  11           HE2      PHE  11  -5.539  -2.609  -8.328
  103    HZ   PHE  11           HZ       PHE  11  -5.584  -5.058  -7.898
  104    H    ALA  12           H        ALA  12  -9.056  -2.323  -1.523
  105    HA   ALA  12           HA       ALA  12 -10.212  -0.102  -0.184
  106    HB1  ALA  12           HB1      ALA  12  -8.760  -2.543   0.929
  107    HB2  ALA  12           HB2      ALA  12  -9.871  -1.486   1.827
  108    HB3  ALA  12           HB3      ALA  12 -10.481  -2.463   0.479
  109    H    ASN  13           H        ASN  13  -6.880  -0.641  -0.931
  110    HA   ASN  13           HA       ASN  13  -5.792   1.091   1.159
  111    HB2  ASN  13           HB2      ASN  13  -3.663   0.722   0.065
  112    HB3  ASN  13           HB3      ASN  13  -4.528  -0.810   0.256
  113   HD21  ASN  13          HD21      ASN  13  -3.015  -1.598  -1.349
  114    H    GLY  14           H        GLY  14  -7.605   1.854  -1.549
  115    HA2  GLY  14           HA2      GLY  14  -8.179   4.087  -2.083
  116    HA3  GLY  14           HA3      GLY  14  -6.577   4.650  -1.590
  117    H    THR  15           H        THR  15  -6.262   1.884  -3.586
  118    HA   THR  15           HA       THR  15  -5.353   3.599  -5.831
  119    HB   THR  15           HB       THR  15  -5.006   0.609  -5.450
  120    HG1  THR  15           HG1      THR  15  -3.973   1.579  -3.846
  121   HG21  THR  15          HG21      THR  15  -3.112   0.897  -7.015
  122   HG22  THR  15          HG22      THR  15  -4.647   1.301  -7.790
  123   HG23  THR  15          HG23      THR  15  -3.559   2.602  -7.248
  124    H    VAL  16           H        VAL  16  -6.441   3.857  -7.697
  125    HA   VAL  16           HA       VAL  16  -8.851   2.220  -8.275
  126    HB   VAL  16           HB       VAL  16  -7.854   4.880  -9.329
  127   HG11  VAL  16          HG11      VAL  16 -10.009   5.042 -10.544
  128   HG12  VAL  16          HG12      VAL  16  -8.967   3.781 -11.201
  129   HG13  VAL  16          HG13      VAL  16 -10.344   3.338 -10.162
  130   HG21  VAL  16          HG21      VAL  16 -10.334   4.099  -7.733
  131   HG22  VAL  16          HG22      VAL  16  -8.901   4.913  -7.069
  132   HG23  VAL  16          HG23      VAL  16  -9.907   5.739  -8.265
  133    H    TYR  17           H        TYR  17  -9.138   1.069 -10.129
  134    HA   TYR  17           HA       TYR  17  -7.031   0.868 -12.172
  135    HB2  TYR  17           HB2      TYR  17  -6.577  -1.436 -11.856
  136    HB3  TYR  17           HB3      TYR  17  -6.327  -0.663 -10.318
  137    HD1  TYR  17           HD1      TYR  17  -8.089  -0.943  -8.480
  138    HD2  TYR  17           HD2      TYR  17  -8.106  -3.256 -12.123
  139    HE1  TYR  17           HE1      TYR  17  -9.352  -2.764  -7.331
  140    HE2  TYR  17           HE2      TYR  17  -9.438  -5.027 -10.999
  141    HH   TYR  17           HH       TYR  17 -10.026  -5.864  -8.913
  142    H    TYR  18           H        TYR  18  -7.760  -1.113 -13.689
  143    HA   TYR  18           HA       TYR  18 -10.683  -0.832 -14.250
  144    HB2  TYR  18           HB2      TYR  18  -8.480  -1.071 -16.310
  145    HB3  TYR  18           HB3      TYR  18 -10.192  -0.718 -16.579
  146    HD1  TYR  18           HD1      TYR  18 -11.122   1.541 -15.728
  147    HD2  TYR  18           HD2      TYR  18  -6.902   0.663 -15.832
  148    HE1  TYR  18           HE1      TYR  18 -10.626   3.966 -15.735
  149    HE2  TYR  18           HE2      TYR  18  -6.405   3.105 -15.753
  150    HH   TYR  18           HH       TYR  18  -8.991   5.567 -15.713
  151    H    PHE  19           H        PHE  19 -11.791  -2.655 -14.722
  152    HA   PHE  19           HA       PHE  19 -10.348  -5.266 -14.940
  153    HB2  PHE  19           HB2      PHE  19 -11.017  -5.167 -12.687
  154    HB3  PHE  19           HB3      PHE  19 -12.585  -4.468 -13.064
  155    HD1  PHE  19           HD1      PHE  19 -10.627  -7.575 -12.837
  156    HD2  PHE  19           HD2      PHE  19 -14.453  -5.908 -13.956
  157    HE1  PHE  19           HE1      PHE  19 -11.647  -9.830 -12.726
  158    HE2  PHE  19           HE2      PHE  19 -15.468  -8.155 -13.799
  159    HZ   PHE  19           HZ       PHE  19 -14.076 -10.124 -13.183
  160    H    ASN  20           H        ASN  20 -11.169  -6.728 -16.330
  161    HA   ASN  20           HA       ASN  20 -13.331  -5.809 -18.141
  162    HB2  ASN  20           HB2      ASN  20 -11.072  -6.344 -19.037
  163    HB3  ASN  20           HB3      ASN  20 -11.290  -8.019 -18.512
  164   HD21  ASN  20          HD21      ASN  20 -11.278  -6.311 -21.230
  165   HD22  ASN  20          HD22      ASN  20 -12.579  -7.105 -22.111
  166    H    HIS  21           H        HIS  21 -15.332  -6.601 -17.851
  167    HA   HIS  21           HA       HIS  21 -15.773  -8.774 -15.961
  168    HB2  HIS  21           HB2      HIS  21 -17.927  -8.085 -15.855
  169    HB3  HIS  21           HB3      HIS  21 -17.138  -6.582 -16.326
  170    HD2  HIS  21           HD2      HIS  21 -17.844  -5.514 -18.676
  171    HE1  HIS  21           HE1      HIS  21 -20.688  -8.460 -19.860
  172    HE2  HIS  21           HE2      HIS  21 -19.741  -6.157 -20.384
  173    H    ILE  22           H        ILE  22 -15.327  -8.728 -19.342
  174    HA   ILE  22           HA       ILE  22 -16.871 -11.189 -19.889
  175    HB   ILE  22           HB       ILE  22 -15.140  -9.462 -21.706
  176   HG12  ILE  22          HG12      ILE  22 -18.172  -9.490 -21.293
  177   HG13  ILE  22          HG13      ILE  22 -17.064  -8.199 -20.796
  178   HG21  ILE  22          HG21      ILE  22 -16.275 -10.624 -23.565
  179   HG22  ILE  22          HG22      ILE  22 -15.401 -11.768 -22.569
  180   HG23  ILE  22          HG23      ILE  22 -17.167 -11.633 -22.405
  181   HD11  ILE  22          HD11      ILE  22 -16.471  -7.840 -23.213
  182   HD12  ILE  22          HD12      ILE  22 -17.815  -8.935 -23.632
  183   HD13  ILE  22          HD13      ILE  22 -18.135  -7.436 -22.743
  184    H    THR  23           H        THR  23 -13.476 -10.105 -19.761
  185    HA   THR  23           HA       THR  23 -12.505 -12.891 -20.199
  186    HB   THR  23           HB       THR  23 -10.396 -11.908 -20.784
  187    HG1  THR  23           HG1      THR  23 -10.478  -9.499 -20.857
  188   HG21  THR  23          HG21      THR  23 -12.214 -11.817 -22.539
  189   HG22  THR  23          HG22      THR  23 -12.522 -10.129 -22.064
  190   HG23  THR  23          HG23      THR  23 -10.944 -10.594 -22.727
  191    H    ASN  24           H        ASN  24 -12.940 -10.732 -17.612
  192    HA   ASN  24           HA       ASN  24 -12.285 -10.563 -15.502
  193    HB2  ASN  24           HB2      ASN  24 -11.474 -13.473 -15.621
  194    HB3  ASN  24           HB3      ASN  24 -11.877 -12.515 -14.182
  195   HD21  ASN  24          HD21      ASN  24 -14.237 -11.166 -15.306
  196   HD22  ASN  24          HD22      ASN  24 -15.451 -12.433 -15.482
  197    H    ALA  25           H        ALA  25 -10.279 -10.048 -17.671
  198    HA   ALA  25           HA       ALA  25  -7.712 -10.136 -16.267
  199    HB1  ALA  25           HB1      ALA  25  -8.627  -8.584 -18.729
  200    HB2  ALA  25           HB2      ALA  25  -6.950  -8.786 -18.176
  201    HB3  ALA  25           HB3      ALA  25  -7.870 -10.195 -18.739
  202    H    SER  26           H        SER  26  -6.552  -8.169 -15.617
  203    HA   SER  26           HA       SER  26  -8.115  -5.718 -15.180
  204    HB2  SER  26           HB2      SER  26  -7.442  -5.542 -12.799
  205    HB3  SER  26           HB3      SER  26  -8.575  -6.853 -13.112
  206    HG   SER  26           HG       SER  26  -5.758  -7.086 -12.746
  207    H    GLN  27           H        GLN  27  -6.908  -3.849 -14.958
  208    HA   GLN  27           HA       GLN  27  -3.982  -3.984 -14.810
  209    HB2  GLN  27           HB2      GLN  27  -3.534  -2.885 -16.881
  210    HB3  GLN  27           HB3      GLN  27  -4.466  -4.347 -17.209
  211    HG2  GLN  27           HG2      GLN  27  -6.494  -3.015 -17.590
  212    HG3  GLN  27           HG3      GLN  27  -5.637  -1.538 -17.167
  213   HE21  GLN  27          HE21      GLN  27  -4.769  -0.416 -18.862
  214   HE22  GLN  27          HE22      GLN  27  -4.302  -1.138 -20.411
  215    H    PHE  28           H        PHE  28  -2.974  -2.010 -14.292
  216    HA   PHE  28           HA       PHE  28  -4.666  -0.188 -12.760
  217    HB2  PHE  28           HB2      PHE  28  -2.672  -0.956 -11.745
  218    HB3  PHE  28           HB3      PHE  28  -1.697  -0.591 -13.177
  219    HD1  PHE  28           HD1      PHE  28  -3.582   0.991 -10.356
  220    HD2  PHE  28           HD2      PHE  28  -0.726   1.535 -13.538
  221    HE1  PHE  28           HE1      PHE  28  -3.021   3.247  -9.471
  222    HE2  PHE  28           HE2      PHE  28  -0.166   3.790 -12.658
  223    HZ   PHE  28           HZ       PHE  28  -1.309   4.643 -10.605
  224    H    GLU  29           H        GLU  29  -2.782   0.052 -15.777
  225    HA   GLU  29           HA       GLU  29  -3.284   2.960 -15.963
  226    HB2  GLU  29           HB2      GLU  29  -1.761   2.957 -17.804
  227    HB3  GLU  29           HB3      GLU  29  -1.052   2.101 -16.433
  228    HG2  GLU  29           HG2      GLU  29  -1.618  -0.076 -17.527
  229    HG3  GLU  29           HG3      GLU  29  -2.343   0.796 -18.879
  230    H    ARG  30           H        ARG  30  -4.099   3.901 -17.973
  231    HA   ARG  30           HA       ARG  30  -6.744   3.147 -18.399
  232    HB2  ARG  30           HB2      ARG  30  -5.997   5.401 -18.685
  233    HB3  ARG  30           HB3      ARG  30  -4.857   4.940 -19.948
  234    HG2  ARG  30           HG2      ARG  30  -6.712   6.080 -20.956
  235    HG3  ARG  30           HG3      ARG  30  -6.709   4.394 -21.472
  236    HD2  ARG  30           HD2      ARG  30  -8.418   4.255 -19.319
  237    HD3  ARG  30           HD3      ARG  30  -8.664   5.927 -19.807
  238    HE   ARG  30           HE       ARG  30  -8.829   3.641 -21.762
  239   HH11  ARG  30          HH11      ARG  30 -10.415   3.646 -23.232
  240   HH12  ARG  30          HH12      ARG  30 -11.784   4.736 -23.044
  241   HH21  ARG  30          HH21      ARG  30 -10.549   6.384 -20.343
  242   HH22  ARG  30          HH22      ARG  30 -11.853   6.193 -21.501
  243    HA   PRO  31           HA       PRO  31  -6.191  -0.031 -21.600
  244    HB2  PRO  31           HB2      PRO  31  -8.728  -1.006 -21.728
  245    HB3  PRO  31           HB3      PRO  31  -7.638  -1.348 -20.348
  246    HG2  PRO  31           HG2      PRO  31  -9.767   0.803 -20.538
  247    HG3  PRO  31           HG3      PRO  31  -9.521  -0.390 -19.221
  248    HD2  PRO  31           HD2      PRO  31  -8.546   2.149 -19.081
  249    HD3  PRO  31           HD3      PRO  31  -7.628   0.759 -18.419
  250    H    SER  32           H        SER  32  -6.408  -0.030 -23.786
  251    HA   SER  32           HA       SER  32  -7.999   2.183 -25.045
  252    HB2  SER  32           HB2      SER  32  -5.281   1.110 -25.865
  253    HB3  SER  32           HB3      SER  32  -6.195   2.407 -26.672
  254    HG   SER  32           HG       SER  32  -5.159   2.421 -24.024
  255    H    GLY  33           H        GLY  33  -8.161  -1.062 -24.829
  256    HA2  GLY  33           HA2      GLY  33  -9.301  -2.678 -26.033
  257    HA3  GLY  33           HA3      GLY  33  -9.824  -1.425 -27.158
  258    H1   4N2 101           H1       4N2  34  -3.577  -0.733  -4.129
  259    H2   4N2 101           H2       4N2  34  -4.217  -3.107  -4.041
  260    H3   4N2 101           H3       4N2  34  -2.413  -4.091  -5.524
  261    H4   4N2 101           H4       4N2  34  -0.507  -2.560  -6.169
  262    H5   4N2 101           H5       4N2  34  -1.398  -0.430  -5.390
  263    H62  4N2 101           H62      4N2  34   1.056  -1.053  -3.682
  264    H61  4N2 101           H61      4N2  34   1.110  -0.711  -5.412
  265    HO2  4N2 101           H2O      4N2  34  -3.281  -3.982  -2.234
  266    HO3  4N2 101           H3O      4N2  34  -3.950  -2.740  -6.500
  267    HO4  4N2 101           H4O      4N2  34  -0.714  -3.646  -3.538
  268    HO6  4N2 101           H6O      4N2  34   0.150   1.369  -4.952
  Start of MODEL   18
    1    H1   LYS   1           H1       LYS   1 -17.666   4.267 -22.427
    2    H2   LYS   1           H2       LYS   1 -17.071   5.022 -23.753
    3    H3   LYS   1           H3       LYS   1 -18.008   5.840 -22.698
    4    HA   LYS   1           HA       LYS   1 -15.733   6.492 -22.435
    5    HB2  LYS   1           HB2      LYS   1 -17.230   6.531 -20.464
    6    HB3  LYS   1           HB3      LYS   1 -16.719   4.898 -20.034
    7    HG2  LYS   1           HG2      LYS   1 -14.352   5.743 -19.820
    8    HG3  LYS   1           HG3      LYS   1 -14.932   7.370 -20.220
    9    HD2  LYS   1           HD2      LYS   1 -16.381   7.338 -18.187
   10    HD3  LYS   1           HD3      LYS   1 -15.849   5.688 -17.841
   11    HE2  LYS   1           HE2      LYS   1 -14.580   7.095 -16.415
   12    HE3  LYS   1           HE3      LYS   1 -13.481   6.518 -17.673
   13    HZ1  LYS   1           HZ1      LYS   1 -14.799   9.188 -17.628
   14    HZ2  LYS   1           HZ2      LYS   1 -13.233   8.910 -17.270
   15    HZ3  LYS   1           HZ3      LYS   1 -13.770   8.680 -18.792
   16    H    LEU   2           H        LEU   2 -15.785   3.167 -21.012
   17    HA   LEU   2           HA       LEU   2 -12.997   2.754 -21.835
   18    HB2  LEU   2           HB2      LEU   2 -14.996   0.987 -20.363
   19    HB3  LEU   2           HB3      LEU   2 -13.358   0.545 -20.720
   20    HG   LEU   2           HG       LEU   2 -13.125   1.073 -18.572
   21   HD11  LEU   2          HD11      LEU   2 -11.917   3.136 -18.297
   22   HD12  LEU   2          HD12      LEU   2 -11.524   2.448 -19.882
   23   HD13  LEU   2          HD13      LEU   2 -12.647   3.828 -19.751
   24   HD21  LEU   2          HD21      LEU   2 -14.951   3.474 -18.809
   25   HD22  LEU   2          HD22      LEU   2 -15.401   1.862 -18.200
   26   HD23  LEU   2          HD23      LEU   2 -14.197   2.829 -17.335
   27    HA   PRO   3           HA       PRO   3 -13.856   0.184 -25.431
   28    HB2  PRO   3           HB2      PRO   3 -11.872  -1.730 -25.280
   29    HB3  PRO   3           HB3      PRO   3 -11.587  -0.029 -25.765
   30    HG2  PRO   3           HG2      PRO   3 -11.235  -1.268 -23.020
   31    HG3  PRO   3           HG3      PRO   3 -10.077  -0.252 -23.923
   32    HD2  PRO   3           HD2      PRO   3 -11.688   0.782 -22.024
   33    HD3  PRO   3           HD3      PRO   3 -11.352   1.699 -23.517
   34    HA   PRO   4           HA       PRO   4 -16.620  -2.920 -24.487
   35    HB2  PRO   4           HB2      PRO   4 -15.059  -4.982 -26.068
   36    HB3  PRO   4           HB3      PRO   4 -16.827  -4.663 -26.067
   37    HG2  PRO   4           HG2      PRO   4 -15.309  -3.593 -28.017
   38    HG3  PRO   4           HG3      PRO   4 -16.514  -2.555 -27.177
   39    HD2  PRO   4           HD2      PRO   4 -13.527  -2.731 -26.707
   40    HD3  PRO   4           HD3      PRO   4 -14.570  -1.281 -26.840
   41    H    GLY   5           H        GLY   5 -17.114  -3.948 -22.715
   42    HA2  GLY   5           HA2      GLY   5 -17.137  -5.485 -20.996
   43    HA3  GLY   5           HA3      GLY   5 -15.632  -6.195 -21.603
   44    H    TRP   6           H        TRP   6 -14.660  -3.085 -21.298
   45    HA   TRP   6           HA       TRP   6 -13.466  -3.601 -18.656
   46    HB2  TRP   6           HB2      TRP   6 -12.989  -1.547 -20.797
   47    HB3  TRP   6           HB3      TRP   6 -12.211  -1.466 -19.216
   48    HD1  TRP   6           HD1      TRP   6 -12.239  -3.357 -22.506
   49    HE1  TRP   6           HE1      TRP   6 -10.132  -4.803 -22.738
   50    HE3  TRP   6           HE3      TRP   6 -10.402  -2.888 -17.743
   51    HZ2  TRP   6           HZ2      TRP   6  -7.969  -5.698 -21.064
   52    HZ3  TRP   6           HZ3      TRP   6  -8.295  -4.064 -17.099
   53    HH2  TRP   6           HH2      TRP   6  -7.091  -5.473 -18.736
   54    H    GLU   7           H        GLU   7 -13.627  -2.404 -16.846
   55    HA   GLU   7           HA       GLU   7 -15.279   0.035 -16.700
   56    HB2  GLU   7           HB2      GLU   7 -16.825  -1.897 -16.397
   57    HB3  GLU   7           HB3      GLU   7 -15.819  -2.494 -15.083
   58    HG2  GLU   7           HG2      GLU   7 -17.853  -1.405 -14.275
   59    HG3  GLU   7           HG3      GLU   7 -16.417  -0.585 -13.694
   60    H    LYS   8           H        LYS   8 -14.925   1.242 -14.711
   61    HA   LYS   8           HA       LYS   8 -12.211   1.001 -13.634
   62    HB2  LYS   8           HB2      LYS   8 -14.498   2.943 -13.191
   63    HB3  LYS   8           HB3      LYS   8 -13.079   2.928 -12.131
   64    HG2  LYS   8           HG2      LYS   8 -11.576   3.233 -14.038
   65    HG3  LYS   8           HG3      LYS   8 -12.954   3.195 -15.156
   66    HD2  LYS   8           HD2      LYS   8 -12.313   5.487 -14.856
   67    HD3  LYS   8           HD3      LYS   8 -13.852   5.260 -14.005
   68    HE2  LYS   8           HE2      LYS   8 -12.606   5.021 -11.854
   69    HE3  LYS   8           HE3      LYS   8 -11.076   5.217 -12.723
   70    HZ1  LYS   8           HZ1      LYS   8 -11.792   7.459 -13.342
   71    HZ2  LYS   8           HZ2      LYS   8 -13.214   7.275 -12.553
   72    HZ3  LYS   8           HZ3      LYS   8 -11.813   7.302 -11.718
   73    H    ARG   9           H        ARG   9 -11.583   0.585 -11.704
   74    HA   ARG   9           HA       ARG   9 -13.288  -0.687  -9.600
   75    HB2  ARG   9           HB2      ARG   9 -11.438  -2.019 -11.498
   76    HB3  ARG   9           HB3      ARG   9 -10.911  -2.214  -9.850
   77    HG2  ARG   9           HG2      ARG   9 -12.268  -4.086 -10.571
   78    HG3  ARG   9           HG3      ARG   9 -13.022  -3.245  -9.199
   79    HD2  ARG   9           HD2      ARG   9 -14.652  -2.209 -10.606
   80    HD3  ARG   9           HD3      ARG   9 -13.798  -2.699 -12.093
   81    HE   ARG   9           HE       ARG   9 -14.416  -5.082 -10.775
   82   HH11  ARG   9          HH11      ARG   9 -16.306  -2.419 -12.034
   83   HH12  ARG   9          HH12      ARG   9 -17.686  -3.438 -12.376
   84   HH21  ARG   9          HH21      ARG   9 -16.204  -6.320 -11.226
   85   HH22  ARG   9          HH22      ARG   9 -17.622  -5.585 -11.924
   86    H    MET  10           H        MET  10 -11.952  -1.149  -7.598
   87    HA   MET  10           HA       MET  10  -9.558   0.496  -7.237
   88    HB2  MET  10           HB2      MET  10 -11.563   2.070  -7.004
   89    HB3  MET  10           HB3      MET  10 -12.021   1.129  -5.571
   90    HG2  MET  10           HG2      MET  10  -9.722   1.694  -4.618
   91    HG3  MET  10           HG3      MET  10  -9.466   2.712  -6.030
   92    HE1  MET  10           HE1      MET  10 -12.331   3.552  -2.498
   93    HE2  MET  10           HE2      MET  10 -12.600   2.159  -3.564
   94    HE3  MET  10           HE3      MET  10 -11.121   2.253  -2.579
   95    H    PHE  11           H        PHE  11  -8.278  -0.181  -5.611
   96    HA   PHE  11           HA       PHE  11  -8.897  -2.605  -4.081
   97    HB2  PHE  11           HB2      PHE  11  -6.530  -0.694  -4.114
   98    HB3  PHE  11           HB3      PHE  11  -6.616  -2.118  -3.094
   99    HD1  PHE  11           HD1      PHE  11  -5.912  -0.899  -6.465
  100    HD2  PHE  11           HD2      PHE  11  -6.682  -4.416  -4.091
  101    HE1  PHE  11           HE1      PHE  11  -4.949  -2.318  -8.256
  102    HE2  PHE  11           HE2      PHE  11  -5.699  -5.832  -5.879
  103    HZ   PHE  11           HZ       PHE  11  -4.836  -4.786  -7.966
  104    H    ALA  12           H        ALA  12  -8.870  -2.738  -1.760
  105    HA   ALA  12           HA       ALA  12 -10.465  -0.833  -0.404
  106    HB1  ALA  12           HB1      ALA  12 -10.317  -3.233   0.155
  107    HB2  ALA  12           HB2      ALA  12  -8.638  -3.011   0.707
  108    HB3  ALA  12           HB3      ALA  12  -9.976  -2.225   1.573
  109    H    ASN  13           H        ASN  13  -7.042  -0.754  -0.916
  110    HA   ASN  13           HA       ASN  13  -6.451   1.115   1.263
  111    HB2  ASN  13           HB2      ASN  13  -4.185   1.073   0.383
  112    HB3  ASN  13           HB3      ASN  13  -4.823  -0.567   0.555
  113   HD21  ASN  13          HD21      ASN  13  -3.291  -1.400  -0.922
  114    H    GLY  14           H        GLY  14  -8.072   1.583  -1.632
  115    HA2  GLY  14           HA2      GLY  14  -8.891   3.639  -2.382
  116    HA3  GLY  14           HA3      GLY  14  -7.572   4.503  -1.578
  117    H    THR  15           H        THR  15  -6.492   1.845  -3.540
  118    HA   THR  15           HA       THR  15  -5.453   3.736  -5.589
  119    HB   THR  15           HB       THR  15  -4.835   0.790  -5.189
  120    HG1  THR  15           HG1      THR  15  -4.105   1.847  -3.481
  121   HG21  THR  15          HG21      THR  15  -2.799   1.306  -6.514
  122   HG22  THR  15          HG22      THR  15  -4.272   1.502  -7.468
  123   HG23  THR  15          HG23      THR  15  -3.429   2.938  -6.836
  124    H    VAL  16           H        VAL  16  -6.215   3.864  -7.635
  125    HA   VAL  16           HA       VAL  16  -8.598   2.262  -8.340
  126    HB   VAL  16           HB       VAL  16  -7.426   4.845  -9.401
  127   HG11  VAL  16          HG11      VAL  16  -9.486   5.099 -10.740
  128   HG12  VAL  16          HG12      VAL  16  -8.496   3.759 -11.312
  129   HG13  VAL  16          HG13      VAL  16  -9.953   3.432 -10.341
  130   HG21  VAL  16          HG21      VAL  16 -10.023   4.228  -7.921
  131   HG22  VAL  16          HG22      VAL  16  -8.584   4.985  -7.203
  132   HG23  VAL  16          HG23      VAL  16  -9.483   5.829  -8.466
  133    H    TYR  17           H        TYR  17  -8.860   1.082 -10.167
  134    HA   TYR  17           HA       TYR  17  -6.739   0.818 -12.170
  135    HB2  TYR  17           HB2      TYR  17  -6.356  -1.510 -11.899
  136    HB3  TYR  17           HB3      TYR  17  -6.043  -0.744 -10.371
  137    HD1  TYR  17           HD1      TYR  17  -7.640  -1.069  -8.443
  138    HD2  TYR  17           HD2      TYR  17  -8.018  -3.236 -12.151
  139    HE1  TYR  17           HE1      TYR  17  -8.918  -2.869  -7.275
  140    HE2  TYR  17           HE2      TYR  17  -9.362  -4.982 -11.006
  141    HH   TYR  17           HH       TYR  17 -10.117  -5.760  -8.989
  142    H    TYR  18           H        TYR  18  -7.512  -1.107 -13.735
  143    HA   TYR  18           HA       TYR  18 -10.421  -0.729 -14.316
  144    HB2  TYR  18           HB2      TYR  18  -8.132  -0.936 -16.302
  145    HB3  TYR  18           HB3      TYR  18  -9.852  -0.768 -16.684
  146    HD1  TYR  18           HD1      TYR  18 -10.981   1.383 -16.538
  147    HD2  TYR  18           HD2      TYR  18  -6.867   0.966 -15.313
  148    HE1  TYR  18           HE1      TYR  18 -10.747   3.868 -16.433
  149    HE2  TYR  18           HE2      TYR  18  -6.653   3.439 -15.164
  150    HH   TYR  18           HH       TYR  18  -7.723   5.447 -15.393
  151    H    PHE  19           H        PHE  19 -11.573  -2.503 -14.882
  152    HA   PHE  19           HA       PHE  19 -10.218  -5.165 -15.021
  153    HB2  PHE  19           HB2      PHE  19 -10.857  -4.984 -12.765
  154    HB3  PHE  19           HB3      PHE  19 -12.394  -4.221 -13.154
  155    HD1  PHE  19           HD1      PHE  19 -10.579  -7.436 -12.962
  156    HD2  PHE  19           HD2      PHE  19 -14.357  -5.542 -13.847
  157    HE1  PHE  19           HE1      PHE  19 -11.720  -9.632 -12.807
  158    HE2  PHE  19           HE2      PHE  19 -15.495  -7.729 -13.639
  159    HZ   PHE  19           HZ       PHE  19 -14.182  -9.784 -13.142
  160    H    ASN  20           H        ASN  20 -11.106  -6.631 -16.361
  161    HA   ASN  20           HA       ASN  20 -13.306  -5.712 -18.136
  162    HB2  ASN  20           HB2      ASN  20 -11.095  -6.196 -19.152
  163    HB3  ASN  20           HB3      ASN  20 -11.213  -7.863 -18.575
  164   HD21  ASN  20          HD21      ASN  20 -13.196  -6.768 -21.935
  165   HD22  ASN  20          HD22      ASN  20 -12.187  -5.625 -21.054
  166    H    HIS  21           H        HIS  21 -15.278  -6.496 -17.666
  167    HA   HIS  21           HA       HIS  21 -15.568  -8.657 -15.758
  168    HB2  HIS  21           HB2      HIS  21 -17.738  -7.999 -15.543
  169    HB3  HIS  21           HB3      HIS  21 -16.992  -6.495 -16.079
  170    HD2  HIS  21           HD2      HIS  21 -17.816  -5.502 -18.443
  171    HE1  HIS  21           HE1      HIS  21 -20.723  -8.481 -19.360
  172    HE2  HIS  21           HE2      HIS  21 -19.808  -6.199 -20.017
  173    H    ILE  22           H        ILE  22 -15.468  -8.664 -19.182
  174    HA   ILE  22           HA       ILE  22 -17.035 -11.111 -19.562
  175    HB   ILE  22           HB       ILE  22 -15.313  -9.472 -21.463
  176   HG12  ILE  22          HG12      ILE  22 -18.342  -9.556 -21.065
  177   HG13  ILE  22          HG13      ILE  22 -17.266  -8.251 -20.536
  178   HG21  ILE  22          HG21      ILE  22 -17.286 -11.713 -22.089
  179   HG22  ILE  22          HG22      ILE  22 -16.451 -10.698 -23.286
  180   HG23  ILE  22          HG23      ILE  22 -15.519 -11.792 -22.283
  181   HD11  ILE  22          HD11      ILE  22 -17.951  -8.968 -23.392
  182   HD12  ILE  22          HD12      ILE  22 -18.301  -7.481 -22.494
  183   HD13  ILE  22          HD13      ILE  22 -16.626  -7.866 -22.939
  184    H    THR  23           H        THR  23 -13.613 -10.229 -19.442
  185    HA   THR  23           HA       THR  23 -12.787 -13.086 -19.789
  186    HB   THR  23           HB       THR  23 -10.615 -12.216 -20.449
  187    HG1  THR  23           HG1      THR  23 -11.785  -9.656 -20.264
  188   HG21  THR  23          HG21      THR  23 -12.803 -10.720 -21.964
  189   HG22  THR  23          HG22      THR  23 -11.182 -11.145 -22.549
  190   HG23  THR  23          HG23      THR  23 -12.362 -12.424 -22.211
  191    H    ASN  24           H        ASN  24 -13.093 -10.833 -17.294
  192    HA   ASN  24           HA       ASN  24 -12.352 -10.568 -15.236
  193    HB2  ASN  24           HB2      ASN  24 -11.358 -13.428 -15.307
  194    HB3  ASN  24           HB3      ASN  24 -11.675 -12.446 -13.869
  195   HD21  ASN  24          HD21      ASN  24 -13.031 -14.765 -15.903
  196   HD22  ASN  24          HD22      ASN  24 -14.714 -14.507 -15.432
  197    H    ALA  25           H        ALA  25 -10.441 -10.091 -17.576
  198    HA   ALA  25           HA       ALA  25  -7.792 -10.114 -16.364
  199    HB1  ALA  25           HB1      ALA  25  -8.149 -10.219 -18.811
  200    HB2  ALA  25           HB2      ALA  25  -8.880  -8.597 -18.775
  201    HB3  ALA  25           HB3      ALA  25  -7.169  -8.813 -18.351
  202    H    SER  26           H        SER  26  -6.551  -8.140 -15.863
  203    HA   SER  26           HA       SER  26  -8.016  -5.666 -15.367
  204    HB2  SER  26           HB2      SER  26  -7.373  -5.448 -13.011
  205    HB3  SER  26           HB3      SER  26  -8.485  -6.794 -13.267
  206    HG   SER  26           HG       SER  26  -6.757  -8.218 -13.117
  207    H    GLN  27           H        GLN  27  -6.743  -3.837 -15.055
  208    HA   GLN  27           HA       GLN  27  -3.828  -4.042 -15.001
  209    HB2  GLN  27           HB2      GLN  27  -3.373  -2.930 -17.050
  210    HB3  GLN  27           HB3      GLN  27  -4.415  -4.308 -17.420
  211    HG2  GLN  27           HG2      GLN  27  -6.357  -2.799 -17.657
  212    HG3  GLN  27           HG3      GLN  27  -5.362  -1.425 -17.199
  213   HE21  GLN  27          HE21      GLN  27  -4.999  -0.208 -18.996
  214   HE22  GLN  27          HE22      GLN  27  -4.499  -0.870 -20.567
  215    H    PHE  28           H        PHE  28  -2.773  -1.998 -14.526
  216    HA   PHE  28           HA       PHE  28  -4.390  -0.356 -12.767
  217    HB2  PHE  28           HB2      PHE  28  -2.226  -1.046 -12.073
  218    HB3  PHE  28           HB3      PHE  28  -1.474  -0.466 -13.566
  219    HD1  PHE  28           HD1      PHE  28  -0.769   1.772 -13.838
  220    HD2  PHE  28           HD2      PHE  28  -3.096   0.654 -10.392
  221    HE1  PHE  28           HE1      PHE  28  -0.281   3.983 -12.798
  222    HE2  PHE  28           HE2      PHE  28  -2.605   2.858  -9.342
  223    HZ   PHE  28           HZ       PHE  28  -1.197   4.522 -10.539
  224    H    GLU  29           H        GLU  29  -2.888   0.202 -15.951
  225    HA   GLU  29           HA       GLU  29  -3.610   3.069 -15.878
  226    HB2  GLU  29           HB2      GLU  29  -2.217   3.322 -17.794
  227    HB3  GLU  29           HB3      GLU  29  -1.355   2.398 -16.561
  228    HG2  GLU  29           HG2      GLU  29  -1.981   0.282 -17.816
  229    HG3  GLU  29           HG3      GLU  29  -2.660   1.296 -19.093
  230    H    ARG  30           H        ARG  30  -4.654   4.123 -17.684
  231    HA   ARG  30           HA       ARG  30  -7.223   3.135 -18.188
  232    HB2  ARG  30           HB2      ARG  30  -6.775   5.476 -18.179
  233    HB3  ARG  30           HB3      ARG  30  -5.556   5.327 -19.441
  234    HG2  ARG  30           HG2      ARG  30  -7.514   6.371 -20.357
  235    HG3  ARG  30           HG3      ARG  30  -7.262   4.794 -21.103
  236    HD2  ARG  30           HD2      ARG  30  -9.022   4.147 -19.078
  237    HD3  ARG  30           HD3      ARG  30  -9.497   5.804 -19.408
  238    HE   ARG  30           HE       ARG  30  -9.292   3.627 -21.488
  239   HH11  ARG  30          HH11      ARG  30 -12.167   6.334 -21.794
  240   HH12  ARG  30          HH12      ARG  30 -11.107   6.447 -20.405
  241   HH21  ARG  30          HH21      ARG  30 -10.575   3.641 -23.168
  242   HH22  ARG  30          HH22      ARG  30 -11.980   4.704 -23.215
  243    HA   PRO  31           HA       PRO  31  -6.283   0.403 -21.690
  244    HB2  PRO  31           HB2      PRO  31  -8.704  -0.812 -21.980
  245    HB3  PRO  31           HB3      PRO  31  -7.591  -1.183 -20.628
  246    HG2  PRO  31           HG2      PRO  31  -9.957   0.714 -20.614
  247    HG3  PRO  31           HG3      PRO  31  -9.561  -0.567 -19.427
  248    HD2  PRO  31           HD2      PRO  31  -8.902   2.047 -19.031
  249    HD3  PRO  31           HD3      PRO  31  -7.831   0.720 -18.482
  250    H    SER  32           H        SER  32  -6.290   0.829 -23.820
  251    HA   SER  32           HA       SER  32  -6.476   2.053 -25.710
  252    HB2  SER  32           HB2      SER  32  -9.443   1.615 -25.285
  253    HB3  SER  32           HB3      SER  32  -8.634   2.007 -26.823
  254    HG   SER  32           HG       SER  32  -8.936  -0.219 -26.662
  255    H    GLY  33           H        GLY  33  -6.105   3.752 -23.529
  256    HA2  GLY  33           HA2      GLY  33  -7.768   6.104 -23.537
  257    HA3  GLY  33           HA3      GLY  33  -6.116   5.989 -22.927
  258    H1   4N2 101           H1       4N2  34  -3.619  -0.594  -3.760
  259    H2   4N2 101           H2       4N2  34  -3.997  -3.002  -3.603
  260    H3   4N2 101           H3       4N2  34  -1.955  -3.882  -4.840
  261    H4   4N2 101           H4       4N2  34  -0.149  -2.206  -5.391
  262    H5   4N2 101           H5       4N2  34  -1.395  -0.147  -4.873
  263    H62  4N2 101           H62      4N2  34   0.974   0.200  -4.814
  264    H61  4N2 101           H61      4N2  34   0.231   1.142  -3.524
  265    HO2  4N2 101           H2O      4N2  34  -1.495  -3.399  -2.297
  266    HO3  4N2 101           H3O      4N2  34  -3.528  -2.747  -6.045
  267    HO4  4N2 101           H4O      4N2  34   0.739  -2.266  -3.104
  268    HO6  4N2 101           H6O      4N2  34   2.092   0.079  -2.745
  Start of MODEL   19
    1    H1   LYS   1           H1       LYS   1 -16.942   4.290 -24.136
    2    H2   LYS   1           H2       LYS   1 -17.802   5.321 -23.209
    3    H3   LYS   1           H3       LYS   1 -17.336   3.878 -22.600
    4    HA   LYS   1           HA       LYS   1 -15.566   6.092 -23.396
    5    HB2  LYS   1           HB2      LYS   1 -16.956   6.349 -21.258
    6    HB3  LYS   1           HB3      LYS   1 -15.933   5.123 -20.535
    7    HG2  LYS   1           HG2      LYS   1 -14.986   7.765 -21.748
    8    HG3  LYS   1           HG3      LYS   1 -15.312   7.487 -20.038
    9    HD2  LYS   1           HD2      LYS   1 -13.518   5.706 -20.044
   10    HD3  LYS   1           HD3      LYS   1 -13.062   6.238 -21.671
   11    HE2  LYS   1           HE2      LYS   1 -13.099   7.972 -19.163
   12    HE3  LYS   1           HE3      LYS   1 -11.664   7.219 -19.862
   13    HZ1  LYS   1           HZ1      LYS   1 -13.339   9.272 -21.204
   14    HZ2  LYS   1           HZ2      LYS   1 -11.856   9.513 -20.576
   15    HZ3  LYS   1           HZ3      LYS   1 -12.036   8.549 -21.881
   16    H    LEU   2           H        LEU   2 -15.264   3.156 -21.280
   17    HA   LEU   2           HA       LEU   2 -12.587   2.604 -22.292
   18    HB2  LEU   2           HB2      LEU   2 -14.514   1.019 -20.529
   19    HB3  LEU   2           HB3      LEU   2 -12.924   0.478 -20.954
   20    HG   LEU   2           HG       LEU   2 -12.499   1.219 -18.903
   21   HD11  LEU   2          HD11      LEU   2 -12.045   3.828 -20.396
   22   HD12  LEU   2          HD12      LEU   2 -11.226   3.266 -18.931
   23   HD13  LEU   2          HD13      LEU   2 -10.976   2.409 -20.459
   24   HD21  LEU   2          HD21      LEU   2 -14.318   3.618 -19.238
   25   HD22  LEU   2          HD22      LEU   2 -14.708   2.092 -18.406
   26   HD23  LEU   2          HD23      LEU   2 -13.429   3.141 -17.776
   27    HA   PRO   3           HA       PRO   3 -13.585  -0.231 -25.627
   28    HB2  PRO   3           HB2      PRO   3 -11.673  -2.213 -25.335
   29    HB3  PRO   3           HB3      PRO   3 -11.346  -0.578 -25.991
   30    HG2  PRO   3           HG2      PRO   3 -10.946  -1.564 -23.154
   31    HG3  PRO   3           HG3      PRO   3  -9.803  -0.648 -24.176
   32    HD2  PRO   3           HD2      PRO   3 -11.338   0.566 -22.329
   33    HD3  PRO   3           HD3      PRO   3 -10.999   1.352 -23.886
   34    HA   PRO   4           HA       PRO   4 -16.479  -3.113 -24.472
   35    HB2  PRO   4           HB2      PRO   4 -15.048  -5.355 -25.922
   36    HB3  PRO   4           HB3      PRO   4 -16.794  -4.933 -25.940
   37    HG2  PRO   4           HG2      PRO   4 -15.219  -4.082 -27.953
   38    HG3  PRO   4           HG3      PRO   4 -16.361  -2.924 -27.188
   39    HD2  PRO   4           HD2      PRO   4 -13.389  -3.241 -26.699
   40    HD3  PRO   4           HD3      PRO   4 -14.348  -1.745 -26.929
   41    H    GLY   5           H        GLY   5 -17.044  -4.025 -22.659
   42    HA2  GLY   5           HA2      GLY   5 -17.162  -5.467 -20.860
   43    HA3  GLY   5           HA3      GLY   5 -15.684  -6.278 -21.407
   44    H    TRP   6           H        TRP   6 -14.498  -3.268 -21.295
   45    HA   TRP   6           HA       TRP   6 -13.383  -3.636 -18.607
   46    HB2  TRP   6           HB2      TRP   6 -12.840  -1.676 -20.828
   47    HB3  TRP   6           HB3      TRP   6 -12.047  -1.605 -19.254
   48    HD1  TRP   6           HD1      TRP   6 -12.139  -3.545 -22.514
   49    HE1  TRP   6           HE1      TRP   6 -10.062  -5.040 -22.721
   50    HE3  TRP   6           HE3      TRP   6 -10.276  -3.011 -17.769
   51    HZ2  TRP   6           HZ2      TRP   6  -7.923  -5.957 -21.029
   52    HZ3  TRP   6           HZ3      TRP   6  -8.168  -4.177 -17.122
   53    HH2  TRP   6           HH2      TRP   6  -7.014  -5.670 -18.719
   54    H    GLU   7           H        GLU   7 -13.651  -2.429 -16.836
   55    HA   GLU   7           HA       GLU   7 -15.072   0.158 -16.871
   56    HB2  GLU   7           HB2      GLU   7 -16.811  -1.616 -16.632
   57    HB3  GLU   7           HB3      GLU   7 -15.995  -2.212 -15.181
   58    HG2  GLU   7           HG2      GLU   7 -16.513  -0.179 -13.978
   59    HG3  GLU   7           HG3      GLU   7 -16.990   0.649 -15.463
   60    H    LYS   8           H        LYS   8 -14.760   1.362 -14.823
   61    HA   LYS   8           HA       LYS   8 -12.152   0.939 -13.620
   62    HB2  LYS   8           HB2      LYS   8 -14.381   2.936 -13.118
   63    HB3  LYS   8           HB3      LYS   8 -12.944   2.840 -12.081
   64    HG2  LYS   8           HG2      LYS   8 -11.460   3.169 -13.985
   65    HG3  LYS   8           HG3      LYS   8 -12.845   3.163 -15.095
   66    HD2  LYS   8           HD2      LYS   8 -12.212   5.438 -14.817
   67    HD3  LYS   8           HD3      LYS   8 -13.701   5.231 -13.878
   68    HE2  LYS   8           HE2      LYS   8 -12.317   4.963 -11.806
   69    HE3  LYS   8           HE3      LYS   8 -10.850   5.161 -12.779
   70    HZ1  LYS   8           HZ1      LYS   8 -11.508   7.248 -11.722
   71    HZ2  LYS   8           HZ2      LYS   8 -11.608   7.403 -13.344
   72    HZ3  LYS   8           HZ3      LYS   8 -12.966   7.221 -12.453
   73    H    ARG   9           H        ARG   9 -11.616   0.403 -11.680
   74    HA   ARG   9           HA       ARG   9 -13.502  -0.644  -9.644
   75    HB2  ARG   9           HB2      ARG   9 -12.890  -2.453 -11.371
   76    HB3  ARG   9           HB3      ARG   9 -11.256  -2.410 -10.713
   77    HG2  ARG   9           HG2      ARG   9 -12.061  -3.183  -8.551
   78    HG3  ARG   9           HG3      ARG   9 -13.757  -2.910  -9.026
   79    HD2  ARG   9           HD2      ARG   9 -13.607  -4.672 -10.719
   80    HD3  ARG   9           HD3      ARG   9 -11.891  -4.937 -10.324
   81    HE   ARG   9           HE       ARG   9 -13.420  -5.197  -7.935
   82   HH11  ARG   9          HH11      ARG   9 -13.857  -7.163  -7.026
   83   HH12  ARG   9          HH12      ARG   9 -13.811  -8.606  -8.003
   84   HH21  ARG   9          HH21      ARG   9 -12.988  -7.008 -10.918
   85   HH22  ARG   9          HH22      ARG   9 -13.331  -8.522 -10.133
   86    H    MET  10           H        MET  10 -12.231  -1.279  -7.576
   87    HA   MET  10           HA       MET  10  -9.788   0.346  -7.180
   88    HB2  MET  10           HB2      MET  10 -11.671   1.947  -7.183
   89    HB3  MET  10           HB3      MET  10 -12.477   1.013  -5.908
   90    HG2  MET  10           HG2      MET  10 -10.662   1.544  -4.349
   91    HG3  MET  10           HG3      MET  10  -9.777   2.385  -5.632
   92    HE1  MET  10           HE1      MET  10 -10.367   3.652  -2.801
   93    HE2  MET  10           HE2      MET  10  -9.508   4.515  -4.104
   94    HE3  MET  10           HE3      MET  10 -10.856   5.301  -3.252
   95    H    PHE  11           H        PHE  11  -8.595  -0.190  -5.469
   96    HA   PHE  11           HA       PHE  11  -9.338  -2.492  -3.765
   97    HB2  PHE  11           HB2      PHE  11  -6.789  -0.877  -4.109
   98    HB3  PHE  11           HB3      PHE  11  -6.969  -2.174  -2.940
   99    HD1  PHE  11           HD1      PHE  11  -6.335  -1.369  -6.443
  100    HD2  PHE  11           HD2      PHE  11  -7.333  -4.538  -3.692
  101    HE1  PHE  11           HE1      PHE  11  -5.635  -3.055  -8.125
  102    HE2  PHE  11           HE2      PHE  11  -6.626  -6.220  -5.377
  103    HZ   PHE  11           HZ       PHE  11  -5.782  -5.481  -7.600
  104    H    ALA  12           H        ALA  12  -9.396  -2.427  -1.508
  105    HA   ALA  12           HA       ALA  12 -10.498  -0.128  -0.256
  106    HB1  ALA  12           HB1      ALA  12  -9.243  -2.630   0.960
  107    HB2  ALA  12           HB2      ALA  12 -10.340  -1.502   1.786
  108    HB3  ALA  12           HB3      ALA  12 -10.932  -2.462   0.419
  109    H    ASN  13           H        ASN  13  -7.175  -0.848  -0.836
  110    HA   ASN  13           HA       ASN  13  -6.072   0.826   1.283
  111    HB2  ASN  13           HB2      ASN  13  -3.938   0.375   0.231
  112    HB3  ASN  13           HB3      ASN  13  -4.874  -1.117   0.386
  113   HD21  ASN  13          HD21      ASN  13  -3.440  -2.025  -1.190
  114    H    GLY  14           H        GLY  14  -7.745   1.674  -1.509
  115    HA2  GLY  14           HA2      GLY  14  -8.216   3.943  -2.026
  116    HA3  GLY  14           HA3      GLY  14  -6.607   4.432  -1.479
  117    H    THR  15           H        THR  15  -6.307   1.670  -3.478
  118    HA   THR  15           HA       THR  15  -5.299   3.381  -5.680
  119    HB   THR  15           HB       THR  15  -5.030   0.375  -5.385
  120    HG1  THR  15           HG1      THR  15  -4.051   1.248  -3.683
  121   HG21  THR  15          HG21      THR  15  -3.478   2.438  -7.013
  122   HG22  THR  15          HG22      THR  15  -3.071   0.717  -6.875
  123   HG23  THR  15          HG23      THR  15  -4.569   1.195  -7.670
  124    H    VAL  16           H        VAL  16  -6.350   3.716  -7.536
  125    HA   VAL  16           HA       VAL  16  -8.746   2.117  -8.255
  126    HB   VAL  16           HB       VAL  16  -7.697   4.808  -9.174
  127   HG11  VAL  16          HG11      VAL  16  -8.756   3.793 -11.122
  128   HG12  VAL  16          HG12      VAL  16 -10.169   3.317 -10.145
  129   HG13  VAL  16          HG13      VAL  16  -9.812   5.033 -10.448
  130   HG21  VAL  16          HG21      VAL  16  -9.775   5.648  -8.148
  131   HG22  VAL  16          HG22      VAL  16 -10.236   3.995  -7.692
  132   HG23  VAL  16          HG23      VAL  16  -8.818   4.769  -6.950
  133    H    TYR  17           H        TYR  17  -8.978   1.054 -10.165
  134    HA   TYR  17           HA       TYR  17  -6.831   0.927 -12.166
  135    HB2  TYR  17           HB2      TYR  17  -6.419  -1.411 -11.942
  136    HB3  TYR  17           HB3      TYR  17  -6.136  -0.673 -10.393
  137    HD1  TYR  17           HD1      TYR  17  -7.915  -0.938  -8.544
  138    HD2  TYR  17           HD2      TYR  17  -7.920  -3.244 -12.192
  139    HE1  TYR  17           HE1      TYR  17  -9.183  -2.749  -7.405
  140    HE2  TYR  17           HE2      TYR  17  -9.240  -5.027 -11.061
  141    HH   TYR  17           HH       TYR  17  -9.900  -4.911  -7.558
  142    H    TYR  18           H        TYR  18  -7.562  -1.022 -13.761
  143    HA   TYR  18           HA       TYR  18 -10.476  -0.710 -14.348
  144    HB2  TYR  18           HB2      TYR  18  -8.173  -0.883 -16.316
  145    HB3  TYR  18           HB3      TYR  18  -9.894  -0.801 -16.720
  146    HD1  TYR  18           HD1      TYR  18 -11.109   1.300 -16.670
  147    HD2  TYR  18           HD2      TYR  18  -7.019   1.097 -15.316
  148    HE1  TYR  18           HE1      TYR  18 -10.994   3.791 -16.605
  149    HE2  TYR  18           HE2      TYR  18  -6.919   3.579 -15.225
  150    HH   TYR  18           HH       TYR  18  -8.058   5.531 -15.558
  151    H    PHE  19           H        PHE  19 -11.595  -2.503 -14.851
  152    HA   PHE  19           HA       PHE  19 -10.214  -5.146 -15.010
  153    HB2  PHE  19           HB2      PHE  19 -10.798  -4.970 -12.735
  154    HB3  PHE  19           HB3      PHE  19 -12.356  -4.226 -13.081
  155    HD1  PHE  19           HD1      PHE  19 -10.461  -7.419 -13.092
  156    HD2  PHE  19           HD2      PHE  19 -14.336  -5.580 -13.606
  157    HE1  PHE  19           HE1      PHE  19 -11.543  -9.646 -12.947
  158    HE2  PHE  19           HE2      PHE  19 -15.408  -7.796 -13.408
  159    HZ   PHE  19           HZ       PHE  19 -14.024  -9.838 -13.104
  160    H    ASN  20           H        ASN  20 -11.131  -6.622 -16.347
  161    HA   ASN  20           HA       ASN  20 -13.416  -5.708 -18.002
  162    HB2  ASN  20           HB2      ASN  20 -11.229  -6.315 -19.085
  163    HB3  ASN  20           HB3      ASN  20 -11.517  -7.989 -18.582
  164   HD21  ASN  20          HD21      ASN  20 -13.306  -6.602 -21.902
  165   HD22  ASN  20          HD22      ASN  20 -11.931  -5.842 -21.112
  166    H    HIS  21           H        HIS  21 -15.379  -6.456 -17.535
  167    HA   HIS  21           HA       HIS  21 -15.692  -8.604 -15.596
  168    HB2  HIS  21           HB2      HIS  21 -17.828  -7.878 -15.327
  169    HB3  HIS  21           HB3      HIS  21 -17.046  -6.395 -15.864
  170    HD2  HIS  21           HD2      HIS  21 -17.873  -5.339 -18.189
  171    HE1  HIS  21           HE1      HIS  21 -20.903  -8.196 -19.100
  172    HE2  HIS  21           HE2      HIS  21 -19.914  -5.939 -19.740
  173    H    ILE  22           H        ILE  22 -15.515  -8.624 -18.998
  174    HA   ILE  22           HA       ILE  22 -17.143 -11.069 -19.364
  175    HB   ILE  22           HB       ILE  22 -15.575  -9.397 -21.369
  176   HG12  ILE  22          HG12      ILE  22 -18.557  -9.382 -20.691
  177   HG13  ILE  22          HG13      ILE  22 -17.395  -8.099 -20.303
  178   HG21  ILE  22          HG21      ILE  22 -17.672 -11.564 -21.826
  179   HG22  ILE  22          HG22      ILE  22 -16.888 -10.586 -23.087
  180   HG23  ILE  22          HG23      ILE  22 -15.931 -11.716 -22.152
  181   HD11  ILE  22          HD11      ILE  22 -16.995  -7.780 -22.766
  182   HD12  ILE  22          HD12      ILE  22 -18.386  -8.856 -23.058
  183   HD13  ILE  22          HD13      ILE  22 -18.606  -7.341 -22.166
  184    H    THR  23           H        THR  23 -13.739 -10.022 -19.552
  185    HA   THR  23           HA       THR  23 -12.855 -12.836 -20.011
  186    HB   THR  23           HB       THR  23 -10.820 -11.886 -20.903
  187    HG1  THR  23           HG1      THR  23 -10.855  -9.541 -21.150
  188   HG21  THR  23          HG21      THR  23 -13.164 -10.314 -22.060
  189   HG22  THR  23          HG22      THR  23 -11.652 -10.770 -22.873
  190   HG23  THR  23          HG23      THR  23 -12.821 -12.021 -22.417
  191    H    ASN  24           H        ASN  24 -13.068 -10.759 -17.403
  192    HA   ASN  24           HA       ASN  24 -12.202 -10.611 -15.371
  193    HB2  ASN  24           HB2      ASN  24 -11.082 -13.400 -15.768
  194    HB3  ASN  24           HB3      ASN  24 -11.371 -12.579 -14.228
  195   HD21  ASN  24          HD21      ASN  24 -13.600 -12.207 -13.554
  196   HD22  ASN  24          HD22      ASN  24 -14.880 -13.202 -14.253
  197    H    ALA  25           H        ALA  25 -10.409  -9.908 -17.787
  198    HA   ALA  25           HA       ALA  25  -7.709  -9.917 -16.723
  199    HB1  ALA  25           HB1      ALA  25  -7.257  -8.430 -18.630
  200    HB2  ALA  25           HB2      ALA  25  -8.221  -9.827 -19.144
  201    HB3  ALA  25           HB3      ALA  25  -8.997  -8.241 -18.923
  202    H    SER  26           H        SER  26  -6.491  -7.977 -16.094
  203    HA   SER  26           HA       SER  26  -7.978  -5.568 -15.394
  204    HB2  SER  26           HB2      SER  26  -7.226  -5.450 -13.069
  205    HB3  SER  26           HB3      SER  26  -8.327  -6.800 -13.338
  206    HG   SER  26           HG       SER  26  -6.568  -8.199 -13.344
  207    H    GLN  27           H        GLN  27  -6.719  -3.725 -15.079
  208    HA   GLN  27           HA       GLN  27  -3.812  -3.856 -15.052
  209    HB2  GLN  27           HB2      GLN  27  -3.401  -2.644 -17.085
  210    HB3  GLN  27           HB3      GLN  27  -4.253  -4.144 -17.456
  211    HG2  GLN  27           HG2      GLN  27  -6.285  -2.996 -17.957
  212    HG3  GLN  27           HG3      GLN  27  -5.699  -1.485 -17.283
  213   HE21  GLN  27          HE21      GLN  27  -4.093  -0.477 -20.267
  214   HE22  GLN  27          HE22      GLN  27  -4.660  -0.080 -18.637
  215    H    PHE  28           H        PHE  28  -2.805  -1.786 -14.574
  216    HA   PHE  28           HA       PHE  28  -4.484  -0.231 -12.790
  217    HB2  PHE  28           HB2      PHE  28  -2.338  -0.897 -12.046
  218    HB3  PHE  28           HB3      PHE  28  -1.546  -0.285 -13.506
  219    HD1  PHE  28           HD1      PHE  28  -3.323   0.783 -10.390
  220    HD2  PHE  28           HD2      PHE  28  -0.835   1.956 -13.703
  221    HE1  PHE  28           HE1      PHE  28  -2.919   2.987  -9.305
  222    HE2  PHE  28           HE2      PHE  28  -0.431   4.165 -12.624
  223    HZ   PHE  28           HZ       PHE  28  -1.470   4.674 -10.410
  224    H    GLU  29           H        GLU  29  -2.679   0.574 -15.780
  225    HA   GLU  29           HA       GLU  29  -3.795   3.307 -15.854
  226    HB2  GLU  29           HB2      GLU  29  -2.421   3.646 -17.773
  227    HB3  GLU  29           HB3      GLU  29  -1.462   2.870 -16.510
  228    HG2  GLU  29           HG2      GLU  29  -1.854   0.652 -17.692
  229    HG3  GLU  29           HG3      GLU  29  -2.628   1.548 -19.003
  230    H    ARG  30           H        ARG  30  -4.761   4.012 -18.096
  231    HA   ARG  30           HA       ARG  30  -7.264   2.644 -18.218
  232    HB2  ARG  30           HB2      ARG  30  -6.721   5.155 -18.608
  233    HB3  ARG  30           HB3      ARG  30  -6.338   4.679 -20.260
  234    HG2  ARG  30           HG2      ARG  30  -8.830   3.485 -19.882
  235    HG3  ARG  30           HG3      ARG  30  -8.952   4.913 -18.843
  236    HD2  ARG  30           HD2      ARG  30  -9.798   5.584 -20.936
  237    HD3  ARG  30           HD3      ARG  30  -8.156   6.255 -20.892
  238    HE   ARG  30           HE       ARG  30  -8.372   3.569 -22.110
  239   HH11  ARG  30          HH11      ARG  30  -8.488   6.996 -22.912
  240   HH12  ARG  30          HH12      ARG  30  -8.216   6.667 -24.605
  241   HH21  ARG  30          HH21      ARG  30  -8.068   3.252 -24.165
  242   HH22  ARG  30          HH22      ARG  30  -7.975   4.579 -25.318
  243    HA   PRO  31           HA       PRO  31  -6.184  -0.332 -21.438
  244    HB2  PRO  31           HB2      PRO  31  -8.647  -1.434 -21.937
  245    HB3  PRO  31           HB3      PRO  31  -7.698  -1.776 -20.453
  246    HG2  PRO  31           HG2      PRO  31  -9.866   0.325 -20.820
  247    HG3  PRO  31           HG3      PRO  31  -9.781  -0.937 -19.558
  248    HD2  PRO  31           HD2      PRO  31  -8.912   1.523 -19.032
  249    HD3  PRO  31           HD3      PRO  31  -7.906   0.135 -18.521
  250    H    SER  32           H        SER  32  -6.376  -0.684 -23.655
  251    HA   SER  32           HA       SER  32  -7.836   1.368 -25.276
  252    HB2  SER  32           HB2      SER  32  -5.865   1.484 -26.722
  253    HB3  SER  32           HB3      SER  32  -5.463   1.923 -25.046
  254    HG   SER  32           HG       SER  32  -3.936   0.478 -25.973
  255    H    GLY  33           H        GLY  33  -7.596  -1.945 -24.775
  256    HA2  GLY  33           HA2      GLY  33  -8.614  -3.722 -25.859
  257    HA3  GLY  33           HA3      GLY  33  -9.252  -2.598 -27.056
  258    H1   4N2 101           H1       4N2  34  -4.166  -1.460  -3.989
  259    H2   4N2 101           H2       4N2  34  -4.020  -3.855  -3.527
  260    H3   4N2 101           H3       4N2  34  -1.975  -4.558  -4.875
  261    H4   4N2 101           H4       4N2  34  -0.625  -2.694  -5.926
  262    H5   4N2 101           H5       4N2  34  -2.187  -0.857  -5.536
  263    H62  4N2 101           H62      4N2  34   0.246  -0.134  -3.861
  264    H61  4N2 101           H61      4N2  34   0.346  -0.350  -5.610
  265    HO2  4N2 101           H2O      4N2  34  -1.385  -3.519  -2.451
  266    HO3  4N2 101           H3O      4N2  34  -3.910  -3.895  -5.967
  267    HO4  4N2 101           H4O      4N2  34   0.482  -3.702  -4.305
  268    HO6  4N2 101           H6O      4N2  34  -1.730   1.317  -4.654
  Start of MODEL   20
    1    H1   LYS   1           H1       LYS   1 -16.921   4.575 -24.229
    2    H2   LYS   1           H2       LYS   1 -18.060   5.332 -23.340
    3    H3   LYS   1           H3       LYS   1 -17.593   3.817 -22.941
    4    HA   LYS   1           HA       LYS   1 -15.920   6.239 -22.849
    5    HB2  LYS   1           HB2      LYS   1 -17.792   5.890 -21.074
    6    HB3  LYS   1           HB3      LYS   1 -16.738   4.678 -20.377
    7    HG2  LYS   1           HG2      LYS   1 -16.151   7.643 -20.796
    8    HG3  LYS   1           HG3      LYS   1 -16.528   6.839 -19.272
    9    HD2  LYS   1           HD2      LYS   1 -14.392   5.467 -19.603
   10    HD3  LYS   1           HD3      LYS   1 -13.975   6.589 -20.906
   11    HE2  LYS   1           HE2      LYS   1 -14.515   7.328 -17.998
   12    HE3  LYS   1           HE3      LYS   1 -12.918   7.129 -18.721
   13    HZ1  LYS   1           HZ1      LYS   1 -13.558   9.460 -18.671
   14    HZ2  LYS   1           HZ2      LYS   1 -13.445   8.985 -20.227
   15    HZ3  LYS   1           HZ3      LYS   1 -14.912   9.180 -19.531
   16    H    LEU   2           H        LEU   2 -15.794   2.982 -21.276
   17    HA   LEU   2           HA       LEU   2 -12.951   2.674 -22.025
   18    HB2  LEU   2           HB2      LEU   2 -14.898   0.932 -20.454
   19    HB3  LEU   2           HB3      LEU   2 -13.262   0.486 -20.806
   20    HG   LEU   2           HG       LEU   2 -12.966   1.125 -18.710
   21   HD11  LEU   2          HD11      LEU   2 -12.645   3.859 -19.993
   22   HD12  LEU   2          HD12      LEU   2 -11.872   3.267 -18.517
   23   HD13  LEU   2          HD13      LEU   2 -11.460   2.531 -20.075
   24   HD21  LEU   2          HD21      LEU   2 -14.984   3.362 -18.989
   25   HD22  LEU   2          HD22      LEU   2 -15.244   1.767 -18.257
   26   HD23  LEU   2          HD23      LEU   2 -14.105   2.901 -17.511
   27    HA   PRO   3           HA       PRO   3 -13.771  -0.093 -25.488
   28    HB2  PRO   3           HB2      PRO   3 -11.784  -1.996 -25.245
   29    HB3  PRO   3           HB3      PRO   3 -11.506  -0.320 -25.813
   30    HG2  PRO   3           HG2      PRO   3 -11.144  -1.424 -23.013
   31    HG3  PRO   3           HG3      PRO   3  -9.996  -0.444 -23.966
   32    HD2  PRO   3           HD2      PRO   3 -11.613   0.660 -22.108
   33    HD3  PRO   3           HD3      PRO   3 -11.275   1.516 -23.634
   34    HA   PRO   4           HA       PRO   4 -16.548  -3.141 -24.464
   35    HB2  PRO   4           HB2      PRO   4 -14.972  -5.281 -25.919
   36    HB3  PRO   4           HB3      PRO   4 -16.739  -4.954 -25.965
   37    HG2  PRO   4           HG2      PRO   4 -15.179  -3.979 -27.931
   38    HG3  PRO   4           HG3      PRO   4 -16.391  -2.898 -27.161
   39    HD2  PRO   4           HD2      PRO   4 -13.415  -3.071 -26.630
   40    HD3  PRO   4           HD3      PRO   4 -14.446  -1.622 -26.844
   41    H    GLY   5           H        GLY   5 -17.080  -4.044 -22.644
   42    HA2  GLY   5           HA2      GLY   5 -17.171  -5.478 -20.840
   43    HA3  GLY   5           HA3      GLY   5 -15.693  -6.281 -21.400
   44    H    TRP   6           H        TRP   6 -14.555  -3.235 -21.275
   45    HA   TRP   6           HA       TRP   6 -13.395  -3.634 -18.611
   46    HB2  TRP   6           HB2      TRP   6 -12.902  -1.638 -20.809
   47    HB3  TRP   6           HB3      TRP   6 -12.119  -1.542 -19.232
   48    HD1  TRP   6           HD1      TRP   6 -12.153  -3.490 -22.487
   49    HE1  TRP   6           HE1      TRP   6 -10.051  -4.951 -22.682
   50    HE3  TRP   6           HE3      TRP   6 -10.336  -2.946 -17.723
   51    HZ2  TRP   6           HZ2      TRP   6  -7.922  -5.856 -20.972
   52    HZ3  TRP   6           HZ3      TRP   6  -8.239  -4.123 -17.050
   53    HH2  TRP   6           HH2      TRP   6  -7.050  -5.588 -18.648
   54    H    GLU   7           H        GLU   7 -13.607  -2.450 -16.842
   55    HA   GLU   7           HA       GLU   7 -15.237   0.027 -16.731
   56    HB2  GLU   7           HB2      GLU   7 -15.615  -2.482 -15.033
   57    HB3  GLU   7           HB3      GLU   7 -16.238  -0.910 -14.565
   58    HG2  GLU   7           HG2      GLU   7 -17.044  -2.465 -17.048
   59    HG3  GLU   7           HG3      GLU   7 -17.960  -2.316 -15.554
   60    H    LYS   8           H        LYS   8 -14.947   1.128 -14.624
   61    HA   LYS   8           HA       LYS   8 -12.152   0.986 -13.638
   62    HB2  LYS   8           HB2      LYS   8 -14.422   2.946 -13.192
   63    HB3  LYS   8           HB3      LYS   8 -12.988   2.922 -12.150
   64    HG2  LYS   8           HG2      LYS   8 -11.502   3.241 -14.048
   65    HG3  LYS   8           HG3      LYS   8 -12.866   3.127 -15.175
   66    HD2  LYS   8           HD2      LYS   8 -12.311   5.447 -14.965
   67    HD3  LYS   8           HD3      LYS   8 -13.835   5.205 -14.094
   68    HE2  LYS   8           HE2      LYS   8 -12.548   5.065 -11.946
   69    HE3  LYS   8           HE3      LYS   8 -11.045   5.311 -12.849
   70    HZ1  LYS   8           HZ1      LYS   8 -11.866   7.388 -11.889
   71    HZ2  LYS   8           HZ2      LYS   8 -11.888   7.498 -13.516
   72    HZ3  LYS   8           HZ3      LYS   8 -13.280   7.264 -12.692
   73    H    ARG   9           H        ARG   9 -11.560   0.522 -11.669
   74    HA   ARG   9           HA       ARG   9 -13.402  -0.516  -9.588
   75    HB2  ARG   9           HB2      ARG   9 -12.771  -2.333 -11.319
   76    HB3  ARG   9           HB3      ARG   9 -11.142  -2.269 -10.651
   77    HG2  ARG   9           HG2      ARG   9 -11.939  -3.055  -8.499
   78    HG3  ARG   9           HG3      ARG   9 -13.637  -2.770  -8.959
   79    HD2  ARG   9           HD2      ARG   9 -13.510  -4.531 -10.659
   80    HD3  ARG   9           HD3      ARG   9 -11.795  -4.810 -10.269
   81    HE   ARG   9           HE       ARG   9 -13.313  -5.060  -7.875
   82   HH11  ARG   9          HH11      ARG   9 -13.291  -8.379 -10.085
   83   HH12  ARG   9          HH12      ARG   9 -12.931  -6.868 -10.867
   84   HH21  ARG   9          HH21      ARG   9 -13.773  -7.023  -6.968
   85   HH22  ARG   9          HH22      ARG   9 -13.756  -8.462  -7.952
   86    H    MET  10           H        MET  10 -12.029  -1.195  -7.568
   87    HA   MET  10           HA       MET  10  -9.596   0.436  -7.221
   88    HB2  MET  10           HB2      MET  10 -11.586   1.994  -7.031
   89    HB3  MET  10           HB3      MET  10 -12.140   1.020  -5.655
   90    HG2  MET  10           HG2      MET  10  -9.837   1.556  -4.603
   91    HG3  MET  10           HG3      MET  10  -9.665   2.765  -5.866
   92    HE1  MET  10           HE1      MET  10 -12.525   4.038  -6.203
   93    HE2  MET  10           HE2      MET  10 -12.543   5.306  -4.962
   94    HE3  MET  10           HE3      MET  10 -11.085   5.054  -5.938
   95    H    PHE  11           H        PHE  11  -8.329  -0.206  -5.580
   96    HA   PHE  11           HA       PHE  11  -8.907  -2.659  -4.077
   97    HB2  PHE  11           HB2      PHE  11  -6.560  -0.722  -4.098
   98    HB3  PHE  11           HB3      PHE  11  -6.620  -2.175  -3.117
   99    HD1  PHE  11           HD1      PHE  11  -5.959  -0.852  -6.455
  100    HD2  PHE  11           HD2      PHE  11  -6.687  -4.446  -4.185
  101    HE1  PHE  11           HE1      PHE  11  -5.001  -2.208  -8.296
  102    HE2  PHE  11           HE2      PHE  11  -5.716  -5.799  -6.027
  103    HZ   PHE  11           HZ       PHE  11  -4.875  -4.684  -8.087
  104    H    ALA  12           H        ALA  12  -8.831  -2.817  -1.755
  105    HA   ALA  12           HA       ALA  12 -10.444  -0.962  -0.355
  106    HB1  ALA  12           HB1      ALA  12  -9.897  -2.364   1.600
  107    HB2  ALA  12           HB2      ALA  12 -10.237  -3.364   0.175
  108    HB3  ALA  12           HB3      ALA  12  -8.556  -3.111   0.706
  109    H    ASN  13           H        ASN  13  -7.032  -0.798  -0.916
  110    HA   ASN  13           HA       ASN  13  -6.454   1.061   1.277
  111    HB2  ASN  13           HB2      ASN  13  -4.199   1.080   0.365
  112    HB3  ASN  13           HB3      ASN  13  -4.797  -0.576   0.531
  113   HD21  ASN  13          HD21      ASN  13  -3.279  -1.371  -0.975
  114    H    GLY  14           H        GLY  14  -8.127   1.520  -1.589
  115    HA2  GLY  14           HA2      GLY  14  -9.006   3.559  -2.306
  116    HA3  GLY  14           HA3      GLY  14  -7.698   4.449  -1.511
  117    H    THR  15           H        THR  15  -6.573   1.845  -3.516
  118    HA   THR  15           HA       THR  15  -5.604   3.788  -5.546
  119    HB   THR  15           HB       THR  15  -4.910   0.853  -5.186
  120    HG1  THR  15           HG1      THR  15  -4.188   1.904  -3.476
  121   HG21  THR  15          HG21      THR  15  -2.894   1.434  -6.519
  122   HG22  THR  15          HG22      THR  15  -4.378   1.591  -7.462
  123   HG23  THR  15          HG23      THR  15  -3.572   3.048  -6.827
  124    H    VAL  16           H        VAL  16  -6.351   3.910  -7.600
  125    HA   VAL  16           HA       VAL  16  -8.674   2.243  -8.353
  126    HB   VAL  16           HB       VAL  16  -7.575   4.875  -9.377
  127   HG11  VAL  16          HG11      VAL  16  -9.632   5.052 -10.746
  128   HG12  VAL  16          HG12      VAL  16  -8.566   3.770 -11.315
  129   HG13  VAL  16          HG13      VAL  16 -10.021   3.358 -10.374
  130   HG21  VAL  16          HG21      VAL  16  -8.782   4.950  -7.201
  131   HG22  VAL  16          HG22      VAL  16  -9.689   5.769  -8.477
  132   HG23  VAL  16          HG23      VAL  16 -10.173   4.140  -7.959
  133    H    TYR  17           H        TYR  17  -8.867   1.082 -10.194
  134    HA   TYR  17           HA       TYR  17  -6.717   0.902 -12.178
  135    HB2  TYR  17           HB2      TYR  17  -6.316  -1.435 -11.923
  136    HB3  TYR  17           HB3      TYR  17  -6.017  -0.672 -10.390
  137    HD1  TYR  17           HD1      TYR  17  -7.694  -0.957  -8.494
  138    HD2  TYR  17           HD2      TYR  17  -7.909  -3.210 -12.165
  139    HE1  TYR  17           HE1      TYR  17  -8.941  -2.763  -7.321
  140    HE2  TYR  17           HE2      TYR  17  -9.242  -4.967 -11.010
  141    HH   TYR  17           HH       TYR  17  -9.796  -4.869  -7.483
  142    H    TYR  18           H        TYR  18  -7.436  -1.001 -13.785
  143    HA   TYR  18           HA       TYR  18 -10.345  -0.676 -14.368
  144    HB2  TYR  18           HB2      TYR  18  -8.058  -0.935 -16.342
  145    HB3  TYR  18           HB3      TYR  18  -9.780  -0.796 -16.731
  146    HD1  TYR  18           HD1      TYR  18 -10.960   1.342 -16.554
  147    HD2  TYR  18           HD2      TYR  18  -6.798   1.009 -15.475
  148    HE1  TYR  18           HE1      TYR  18 -10.769   3.824 -16.513
  149    HE2  TYR  18           HE2      TYR  18  -6.615   3.495 -15.412
  150    HH   TYR  18           HH       TYR  18  -9.388   5.613 -16.194
  151    H    PHE  19           H        PHE  19 -11.500  -2.447 -14.895
  152    HA   PHE  19           HA       PHE  19 -10.181  -5.126 -14.961
  153    HB2  PHE  19           HB2      PHE  19 -10.781  -4.890 -12.693
  154    HB3  PHE  19           HB3      PHE  19 -12.322  -4.125 -13.068
  155    HD1  PHE  19           HD1      PHE  19 -14.324  -5.459 -13.568
  156    HD2  PHE  19           HD2      PHE  19 -10.477  -7.350 -13.038
  157    HE1  PHE  19           HE1      PHE  19 -15.426  -7.662 -13.371
  158    HE2  PHE  19           HE2      PHE  19 -11.588  -9.560 -12.895
  159    HZ   PHE  19           HZ       PHE  19 -14.066  -9.724 -13.061
  160    H    ASN  20           H        ASN  20 -11.114  -6.603 -16.290
  161    HA   ASN  20           HA       ASN  20 -13.402  -5.676 -17.941
  162    HB2  ASN  20           HB2      ASN  20 -11.222  -6.256 -19.050
  163    HB3  ASN  20           HB3      ASN  20 -11.491  -7.937 -18.559
  164   HD21  ASN  20          HD21      ASN  20 -13.301  -6.554 -21.862
  165   HD22  ASN  20          HD22      ASN  20 -11.926  -5.791 -21.077
  166    H    HIS  21           H        HIS  21 -15.347  -6.438 -17.483
  167    HA   HIS  21           HA       HIS  21 -15.645  -8.593 -15.544
  168    HB2  HIS  21           HB2      HIS  21 -17.774  -7.853 -15.245
  169    HB3  HIS  21           HB3      HIS  21 -16.985  -6.373 -15.774
  170    HD2  HIS  21           HD2      HIS  21 -17.826  -5.289 -18.087
  171    HE1  HIS  21           HE1      HIS  21 -20.901  -8.104 -18.977
  172    HE2  HIS  21           HE2      HIS  21 -19.895  -5.853 -19.612
  173    H    ILE  22           H        ILE  22 -15.500  -8.587 -18.945
  174    HA   ILE  22           HA       ILE  22 -17.144 -11.025 -19.311
  175    HB   ILE  22           HB       ILE  22 -15.615  -9.326 -21.322
  176   HG12  ILE  22          HG12      ILE  22 -18.579  -9.335 -20.568
  177   HG13  ILE  22          HG13      ILE  22 -17.414  -8.043 -20.219
  178   HG21  ILE  22          HG21      ILE  22 -15.974 -11.638 -22.127
  179   HG22  ILE  22          HG22      ILE  22 -17.709 -11.498 -21.769
  180   HG23  ILE  22          HG23      ILE  22 -16.952 -10.502 -23.032
  181   HD11  ILE  22          HD11      ILE  22 -18.692  -7.293 -22.037
  182   HD12  ILE  22          HD12      ILE  22 -17.104  -7.729 -22.701
  183   HD13  ILE  22          HD13      ILE  22 -18.503  -8.810 -22.935
  184    H    THR  23           H        THR  23 -13.742  -9.974 -19.550
  185    HA   THR  23           HA       THR  23 -12.863 -12.779 -20.051
  186    HB   THR  23           HB       THR  23 -10.814 -11.812 -20.902
  187    HG1  THR  23           HG1      THR  23 -10.889  -9.452 -21.121
  188   HG21  THR  23          HG21      THR  23 -12.799 -11.931 -22.437
  189   HG22  THR  23          HG22      THR  23 -13.157 -10.233 -22.050
  190   HG23  THR  23          HG23      THR  23 -11.636 -10.665 -22.859
  191    H    ASN  24           H        ASN  24 -13.132 -10.819 -17.382
  192    HA   ASN  24           HA       ASN  24 -12.308 -10.751 -15.326
  193    HB2  ASN  24           HB2      ASN  24 -12.813 -13.221 -15.550
  194    HB3  ASN  24           HB3      ASN  24 -11.080 -13.479 -15.814
  195   HD21  ASN  24          HD21      ASN  24 -10.228 -14.315 -13.942
  196   HD22  ASN  24          HD22      ASN  24 -10.653 -13.747 -12.324
  197    H    ALA  25           H        ALA  25 -10.498  -9.888 -17.661
  198    HA   ALA  25           HA       ALA  25  -7.796  -9.988 -16.578
  199    HB1  ALA  25           HB1      ALA  25  -7.282  -8.517 -18.477
  200    HB2  ALA  25           HB2      ALA  25  -8.274  -9.891 -19.004
  201    HB3  ALA  25           HB3      ALA  25  -9.012  -8.285 -18.795
  202    H    SER  26           H        SER  26  -6.540  -8.071 -15.954
  203    HA   SER  26           HA       SER  26  -7.974  -5.617 -15.306
  204    HB2  SER  26           HB2      SER  26  -7.223  -5.470 -12.976
  205    HB3  SER  26           HB3      SER  26  -8.362  -6.793 -13.220
  206    HG   SER  26           HG       SER  26  -6.643  -8.243 -13.195
  207    H    GLN  27           H        GLN  27  -6.679  -3.802 -15.009
  208    HA   GLN  27           HA       GLN  27  -3.771  -3.998 -15.008
  209    HB2  GLN  27           HB2      GLN  27  -3.342  -2.899 -17.078
  210    HB3  GLN  27           HB3      GLN  27  -4.350  -4.308 -17.415
  211    HG2  GLN  27           HG2      GLN  27  -6.324  -2.870 -17.694
  212    HG3  GLN  27           HG3      GLN  27  -5.383  -1.455 -17.254
  213   HE21  GLN  27          HE21      GLN  27  -4.877  -0.262 -19.031
  214   HE22  GLN  27          HE22      GLN  27  -4.391  -0.947 -20.596
  215    H    PHE  28           H        PHE  28  -2.720  -1.931 -14.570
  216    HA   PHE  28           HA       PHE  28  -4.349  -0.298 -12.818
  217    HB2  PHE  28           HB2      PHE  28  -2.174  -0.984 -12.138
  218    HB3  PHE  28           HB3      PHE  28  -1.431  -0.370 -13.623
  219    HD1  PHE  28           HD1      PHE  28  -0.757   1.880 -13.852
  220    HD2  PHE  28           HD2      PHE  28  -3.078   0.672 -10.435
  221    HE1  PHE  28           HE1      PHE  28  -0.299   4.081 -12.769
  222    HE2  PHE  28           HE2      PHE  28  -2.623   2.866  -9.344
  223    HZ   PHE  28           HZ       PHE  28  -1.231   4.569 -10.508
  224    H    GLU  29           H        GLU  29  -2.842   0.273 -15.997
  225    HA   GLU  29           HA       GLU  29  -3.674   3.119 -15.963
  226    HB2  GLU  29           HB2      GLU  29  -2.234   3.413 -17.848
  227    HB3  GLU  29           HB3      GLU  29  -1.371   2.569 -16.561
  228    HG2  GLU  29           HG2      GLU  29  -1.700   0.412 -17.769
  229    HG3  GLU  29           HG3      GLU  29  -2.596   1.257 -19.035
  230    H    ARG  30           H        ARG  30  -4.645   4.080 -17.901
  231    HA   ARG  30           HA       ARG  30  -7.183   3.059 -18.419
  232    HB2  ARG  30           HB2      ARG  30  -6.739   5.387 -18.618
  233    HB3  ARG  30           HB3      ARG  30  -5.465   5.123 -19.806
  234    HG2  ARG  30           HG2      ARG  30  -7.353   6.070 -20.920
  235    HG3  ARG  30           HG3      ARG  30  -7.117   4.417 -21.481
  236    HD2  ARG  30           HD2      ARG  30  -8.966   3.951 -19.555
  237    HD3  ARG  30           HD3      ARG  30  -9.349   5.634 -19.883
  238    HE   ARG  30           HE       ARG  30  -9.225   3.458 -21.972
  239   HH11  ARG  30          HH11      ARG  30 -12.093   6.180 -22.172
  240   HH12  ARG  30          HH12      ARG  30 -10.980   6.284 -20.820
  241   HH21  ARG  30          HH21      ARG  30 -10.528   3.570 -23.686
  242   HH22  ARG  30          HH22      ARG  30 -11.956   4.593 -23.616
  243    HA   PRO  31           HA       PRO  31  -6.232   0.093 -21.750
  244    HB2  PRO  31           HB2      PRO  31  -8.664  -1.104 -21.977
  245    HB3  PRO  31           HB3      PRO  31  -7.573  -1.411 -20.590
  246    HG2  PRO  31           HG2      PRO  31  -9.900   0.536 -20.715
  247    HG3  PRO  31           HG3      PRO  31  -9.560  -0.694 -19.462
  248    HD2  PRO  31           HD2      PRO  31  -8.833   1.917 -19.183
  249    HD3  PRO  31           HD3      PRO  31  -7.799   0.592 -18.559
  250    H    SER  32           H        SER  32  -6.171   0.548 -23.875
  251    HA   SER  32           HA       SER  32  -6.385   1.750 -25.784
  252    HB2  SER  32           HB2      SER  32  -8.112  -0.067 -25.932
  253    HB3  SER  32           HB3      SER  32  -9.340   1.162 -25.540
  254    HG   SER  32           HG       SER  32  -9.054   0.884 -27.800
  255    H    GLY  33           H        GLY  33  -5.858   3.580 -24.139
  256    HA2  GLY  33           HA2      GLY  33  -7.770   5.720 -23.719
  257    HA3  GLY  33           HA3      GLY  33  -6.021   5.808 -23.505
  258    H1   4N2 101           H1       4N2  34  -3.650  -0.538  -3.800
  259    H2   4N2 101           H2       4N2  34  -3.999  -2.953  -3.666
  260    H3   4N2 101           H3       4N2  34  -1.961  -3.797  -4.932
  261    H4   4N2 101           H4       4N2  34  -0.177  -2.096  -5.482
  262    H5   4N2 101           H5       4N2  34  -1.431  -0.053  -4.934
  263    H62  4N2 101           H62      4N2  34   1.019   0.157  -4.823
  264    H61  4N2 101           H61      4N2  34   0.202   1.260  -3.719
  265    HO2  4N2 101           H2O      4N2  34  -1.480  -3.339  -2.391
  266    HO3  4N2 101           H3O      4N2  34  -3.551  -2.668  -6.113
  267    HO4  4N2 101           H4O      4N2  34   0.790  -2.226  -3.253
  268    HO6  4N2 101           H6O      4N2  34   0.725  -0.106  -1.987