*HEADER    ISOMERASE                               20-MAR-16   2NC5              
*TITLE     SOLUTION STRUCTURE OF N-XYLOSYLATED PIN1 WW DOMAIN                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PIN1 WW DOMAIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ENHANCED AROMATIC SEQUON, ISOMERASE                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.HSU, S.PARK, D.E.MORTENSON, B.FOLEY, X.WANG, R.J.WOODS, D.A.CASE,   
*AUTHOR   2 E.T.POWERS, C.WONG, H.DYSON, J.W.KELLY                               
*REVDAT   1   08-JUN-16 2NC5    0                                                


#
# 1 LYS QD 1 LYS HG3 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 

      rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0, 
 igr1= 14, 15, 
 &end
#
# 1 LYS QD 1 LYS HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 14, 15, 
 &end
#
# 1 LYS QB 1 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 8, 9, 
 &end
#
# 1 LYS HA 1 LYS QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 8, 9, 
 &end
#
# 1 LYS QB 1 LYS QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 8, 9, 
 igr2= 14, 15, 
 &end
#
# 1 LYS QE 1 LYS QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 17, 18, 
 igr2= 14, 15, 
 &end
#
# 1 LYS HA 2 LEU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 6, 26, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 LYS QE 2 LEU QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 17, 18, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HB3 2 LEU HB2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 31, 30, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 LEU HA 2 LEU QD1 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 HB3 2 LEU QD2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU HG 2 LEU QD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HG 2 LEU 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 HA 2 LEU QD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU HG 2 LEU HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 33, 30, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 LEU HB2 2 LEU QD2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 39, 40, 41, 
 &end
#
# 2 LEU HB2 2 LEU QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU HB3 2 LEU QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 35, 36, 37, 
 &end
#
# 2 LEU 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 HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU 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 HG 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 33, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU HA 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 LEU QD2 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 39, 40, 41, 
 &end
#
# 2 LEU HB2 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 30, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 2 LEU QD1 2 LEU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 26, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 35, 36, 37, 
 &end
#
# 2 LEU HA 3 PRO HD3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 47, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 2 LEU HA 3 PRO HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 28, 46, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 LEU QD1 6 TRP HD1 6  (#5 to 6)
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr1= 35, 36, 37, 
 &end
#
# 2 LEU QD2 6 TRP HE3 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 39, 40, 41, 
 &end
#
# 2 LEU QD1 18 TYR QE 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= 293, 298, 
 &end
#
# 2 LEU QD1 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 35, 36, 37, 
 igr2= 291, 300, 
 &end
#
# 2 LEU QD2 7 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 39, 40, 41, 
 &end
#
# 3 PRO HD3 2 LEU QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 35, 36, 37, 
 &end
#
# 3 PRO HD2 2 LEU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 30, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO 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 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 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HB3 3 PRO HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HA 3 PRO HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 53, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HD3 3 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HG3 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD3 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD2 3 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO 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 HB3 3 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HA 3 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD2 3 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 49, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HD3 3 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HA 3 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 49, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HA 3 PRO HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 52, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HA 4 PRO HD3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 PRO HA 4 PRO HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 55, 60, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HG2 6 TRP HD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 88, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PRO HD2 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HB2 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HB3 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 53, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 PRO HG2 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HD3 6 TRP HD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HG2 6 TRP HD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 49, 88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HB2 6 TRP 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 HB2 6 TRP H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HD2 31 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 46, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HD3 31 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 47, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 PRO HB2 33 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 52, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HD2 3 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD3 3 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 53, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HG3 4 PRO HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 63, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 PRO HD3 4 PRO HD2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 60, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 PRO HB3 4 PRO HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 67, 66, 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 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 66, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HB3 4 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 67, 63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD2 4 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 67, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD3 4 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HG3 4 PRO HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO HD3 4 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 61, 67, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PRO 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 HA 4 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 63, 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 HD2 4 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 60, 63, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HA 4 PRO HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 67, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HA 5 GLY H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 PRO HB2 5 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 66, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HG3 5 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 64, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 PRO HA 6 TRP H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 69, 80, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLY HA3 5 GLY HA2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLY HA2 5 GLY H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLY HA3 5 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLY HA2 6 TRP H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 75, 80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLY HA3 6 TRP H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA3 20 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY HA3 22 ILE QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 368, 369, 370, 
 &end
#
# 5 GLY HA2 22 ILE QD1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 368, 369, 370, 
 &end
#
# 5 GLY HA3 22 ILE HG13 5
 &rst
  ixpk= 0, nxpk= 0, iat= 76, 366, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HB2 2 LEU QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 30, 31, 
 &end
#
# 6 TRP HB2 2 LEU QD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 39, 40, 41, 
 &end
#
# 6 TRP H 5 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 80, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP 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 HD1 6 TRP HE1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 88, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 TRP 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 HB3 6 TRP HE3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HZ2 6 TRP HE1 4
 &rst
  ixpk= 0, nxpk= 0, iat= 93, 90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HB2 6 TRP H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HA 6 TRP H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 TRP HB2 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 6 TRP HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB3 6 TRP HD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 6 TRP HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 84, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HZ3 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 97, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HH2 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HA 7 GLU H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 TRP HE3 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB3 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 85, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HB2 7 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 84, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HE3 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 TRP HA 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP HA 20 ASN HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 82, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 TRP 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
#
# 7 GLU HA 2 LEU QD1 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 35, 36, 37, 
 &end
#
# 7 GLU HA 2 LEU QD2 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 39, 40, 41, 
 &end
#
# 7 GLU QG 7 GLU HB3 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 111, 112, 
 &end
#
# 7 GLU QG 7 GLU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 111, 112, 
 &end
#
# 7 GLU HA 7 GLU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU 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 HA 7 GLU HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU HA 7 GLU QG 5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 111, 112, 
 &end
#
# 7 GLU HB3 7 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU HA 8 LYS H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 GLU HA 8 LYS HG3 4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 127, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 7 GLU HB2 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 GLU QG 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 111, 112, 
 &end
#
# 7 GLU HB3 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 GLU HB2 19 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &end
#
# 7 GLU HB3 19 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &end
#
# 7 GLU HB2 21 HIS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HB2 8 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HB3 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS QE 8 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HB2 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HG3 8 LYS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS QE 8 LYS HD3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 &end
#
# 8 LYS QE 8 LYS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HA 8 LYS HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS 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 HD3 8 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS 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 HA 8 LYS HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HA 8 LYS HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HD3 8 LYS HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS QE 8 LYS HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 132, 133, 
 &end
#
# 8 LYS HG2 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HA 9 ARG H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LYS HG3 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 LYS HG2 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HB2 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HB3 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS QE 16 VAL QG1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 igr2= 252, 253, 254, 
 &end
#
# 8 LYS QE 16 VAL QG2 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 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 291, 300, 
 &end
#
# 8 LYS HG3 18 TYR QE 4
 &rst
  ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HA 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 8 LYS HA 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HG2 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 8 LYS QE 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 132, 133, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HD3 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 8 LYS HG2 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 8 LYS HA 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 LYS HG3 2 LEU QD1 4
 &rst
  ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 35, 36, 37, 
 &end
#
# 8 LYS HD2 2 LEU QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 35, 36, 37, 
 &end
#
# 8 LYS HA 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG H 8 LYS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HD3 9 ARG HD2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG HG3 9 ARG HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG HG2 9 ARG QB 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HA 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HG3 9 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HA 9 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HA 9 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 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 HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD2 9 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG 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 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 HA 9 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HD3 9 ARG HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HD3 9 ARG HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HA 9 ARG QB 5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HG2 9 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HD2 9 ARG QB 5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 145, 146, 
 &end
#
# 9 ARG HD2 9 ARG HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HG3 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HA 10 MET H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 ARG HG2 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ARG HG3 10 MET H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 ARG HG2 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 9 ARG HG2 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &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 QB 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 145, 146, 
 &end
#
# 9 ARG 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 QB 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 145, 146, 
 igr2= 270, 279, 
 &end
#
# 9 ARG QB 17 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 145, 146, 
 igr2= 272, 277, 
 &end
#
# 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 HG3 10 MET HG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 MET HA 10 MET H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET 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 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 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 HG3 10 MET HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 10 MET HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 10 MET HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HA 10 MET HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HA 11 PHE H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 MET HG2 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET 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 HG3 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HB2 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 MET HG3 16 VAL QG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 256, 257, 258, 
 &end
#
# 10 MET HA 16 VAL QG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 256, 257, 258, 
 &end
#
# 10 MET HA 16 VAL QG1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 252, 253, 254, 
 &end
#
# 10 MET HA 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 MET HA 17 TYR QD 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
#
# 11 PHE HB3 11 PHE HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 PHE QE 11 PHE QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 192, 196, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HA 11 PHE H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 PHE HA 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HB2 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HB2 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HB3 11 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 190, 198, 
 &end
#
# 11 PHE HA 11 PHE HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 187, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE QD 11 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 190, 198, 
 &end
#
# 11 PHE 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 HZ 11 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 192, 196, 
 &end
#
# 11 PHE HA 11 PHE HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE HA 12 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HB3 12 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 PHE QD 12 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 190, 198, 
 &end
#
# 11 PHE HB3 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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 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
#
# 12 ALA HA 12 ALA QB 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 206, 207, 208, 
 &end
#
# 12 ALA QB 12 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 206, 207, 208, 
 &end
#
# 12 ALA HA 12 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ALA QB 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 206, 207, 208, 
 &end
#
# 12 ALA HA 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 ALA HA 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 H 12 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN HB3 13 NLN HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 NLN HA 13 NLN HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 NLN HA 13 NLN HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HB2 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN HA 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN HB2 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN HB3 13 NLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 NLN HA 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 NLN H 14 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLY HA3 14 GLY HA2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 GLY HA2 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLY HA3 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLY HA3 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 GLY HA2 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 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 11 PHE QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 238, 239, 240, 
 igr2= 190, 198, 
 &end
#
# 15 THR HB 11 PHE HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR HB 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR QG2 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR H 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR H 14 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR HB 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 HA 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR QG2 15 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR HB 15 THR HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR HB 15 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR HA 16 VAL H 3
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 246, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 THR QG2 16 VAL H 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 238, 239, 240, 
 &end
#
# 15 THR HB 16 VAL H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 THR QG2 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 238, 239, 240, 
 igr2= 270, 279, 
 &end
#
# 15 THR QG2 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 238, 239, 240, 
 igr2= 448, 456, 
 &end
#
# 16 VAL QG1 9 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 252, 253, 254, 
 &end
#
# 16 VAL HA 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 VAL QG2 16 VAL QG1 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 256, 257, 258, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL HB 16 VAL QG1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL HB 16 VAL QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 256, 257, 258, 
 &end
#
# 16 VAL HB 16 VAL H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 VAL HA 16 VAL QG1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 252, 253, 254, 
 &end
#
# 16 VAL QG2 16 VAL H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 256, 257, 258, 
 &end
#
# 16 VAL HA 16 VAL QG2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 256, 257, 258, 
 &end
#
# 16 VAL HA 16 VAL 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 HA 16 VAL H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 246, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL 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 HA 17 TYR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 QG2 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 256, 257, 258, 
 &end
#
# 16 VAL HB 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 VAL HA 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 17 TYR H 9 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR QE 9 ARG QB 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 igr2= 145, 146, 
 &end
#
# 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 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 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 QE 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR H 11 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR QE 11 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 igr2= 190, 198, 
 &end
#
# 17 TYR H 16 VAL H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR HB3 17 TYR HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 TYR QE 17 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr1= 272, 277, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HB2 17 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 270, 279, 
 &end
#
# 17 TYR 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 HB3 17 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 270, 279, 
 &end
#
# 17 TYR HA 17 TYR HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR QD 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HA 17 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR HA 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 17 TYR QE 17 TYR HB3 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 272, 277, 
 &end
#
# 17 TYR QE 17 TYR HB2 5
 &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 HB3 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR HB2 17 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR HB2 18 TYR H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 TYR HA 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 17 TYR QD 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 270, 279, 
 &end
#
# 17 TYR HB3 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR HB2 18 TYR QD 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 17 TYR HA 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 17 TYR QE 19 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= 312, 320, 
 &end
#
# 17 TYR HB2 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 TYR QD 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 270, 279, 
 &end
#
# 17 TYR 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 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 HB2 28 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 448, 456, 
 &end
#
# 18 TYR HB3 6 TRP HE3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 99, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 TYR HB2 6 TRP HE3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HA 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 8 LYS HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR 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 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 HB3 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HB2 18 TYR QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 291, 300, 
 &end
#
# 18 TYR QD 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 291, 300, 
 &end
#
# 18 TYR HA 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HB3 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HB2 18 TYR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HA 18 TYR HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HA 18 TYR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 18 TYR HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR HA 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 18 TYR HA 19 PHE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 TYR HB3 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR QD 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 291, 300, 
 &end
#
# 18 TYR H 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR 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 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 TYR HB2 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 TYR QE 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 293, 298, 
 &end
#
# 18 TYR HB3 6 TRP HZ3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 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 5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 272, 277, 
 &end
#
# 19 PHE HB2 17 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 272, 277, 
 &end
#
# 19 PHE 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 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 PHE HB2 19 PHE QD 4
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 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 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 19 PHE HA 19 PHE HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HB2 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HB3 19 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 19 PHE HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HA 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HB3 19 PHE HA 5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 306, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE HB2 19 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 314, 318, 
 &end
#
# 19 PHE HB3 19 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 314, 318, 
 &end
#
# 19 PHE QD 19 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 312, 320, 
 &end
#
# 19 PHE HA 20 ASN H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 PHE QD 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 312, 320, 
 &end
#
# 19 PHE QE 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 314, 318, 
 &end
#
# 19 PHE HA 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PHE HA 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 PHE QB 7 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 308, 309, 
 &end
#
# 20 ASN HD22 6 TRP HE1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HD22 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HD21 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HA 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HA 7 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 104, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HD22 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 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ASN HD22 20 ASN HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HA 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB2 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 25 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HH2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 6 TRP HZ3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HB2 20 ASN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB2 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB3 20 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 324, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HA 20 ASN HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HD22 20 ASN HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB3 20 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 ASN HA 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 24 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB3 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HA 19 PHE QE 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HB2 19 PHE QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HA 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 21 HIS HB2 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 21 HIS HB3 19 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 314, 318, 
 &end
#
# 21 HIS HB3 21 HIS HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 HIS HA 21 HIS HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HA 21 HIS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB3 21 HIS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS 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 HB2 21 HIS H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 338, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB3 21 HIS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HB2 21 HIS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HD2 21 HIS H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 HIS H 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 HIS HA 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE QD1 5 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 368, 369, 370, 
 &end
#
# 22 ILE HG12 21 HIS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE QD1 21 HIS HD2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 368, 369, 370, 
 &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 QD1 21 HIS HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 368, 369, 370, 
 &end
#
# 22 ILE HA 21 HIS HD2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE HG13 22 ILE HG12 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ILE HG12 22 ILE QD1 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 368, 369, 370, 
 &end
#
# 22 ILE HB 22 ILE QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 361, 362, 363, 
 &end
#
# 22 ILE 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 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 HB 22 ILE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 ILE HB 22 ILE HG13 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HB 22 ILE QD1 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 368, 369, 370, 
 &end
#
# 22 ILE HG13 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE HG12 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HG12 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 365, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE HG13 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE HA 22 ILE HB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ILE QG2 22 ILE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 361, 362, 363, 
 &end
#
# 22 ILE QD1 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 368, 369, 370, 
 &end
#
# 22 ILE HB 22 ILE HG12 5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 ILE HB 23 THR H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 22 ILE HB 23 THR QG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 380, 381, 382, 
 &end
#
# 22 ILE QG2 23 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 361, 362, 363, 
 &end
#
# 22 ILE HA 23 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 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 H 22 ILE H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 THR HG1 22 ILE HB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HA 22 ILE QG2 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 23 THR QG2 3
 &rst
  ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr2= 380, 381, 382, 
 &end
#
# 23 THR HA 23 THR QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 380, 381, 382, 
 &end
#
# 23 THR HG1 23 THR QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 380, 381, 382, 
 &end
#
# 23 THR QG2 23 THR H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 380, 381, 382, 
 &end
#
# 23 THR HB 23 THR HA 4
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 THR HA 23 THR H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HG1 23 THR HB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HG1 23 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR HB 23 THR H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR H 24 ASN H 4
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 388, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 THR QG2 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 380, 381, 382, 
 &end
#
# 23 THR HB 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR HG1 25 ALA QB 4
 &rst
  ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
 igr2= 406, 407, 408, 
 &end
#
# 23 THR HG1 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 THR HB 25 ALA QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 406, 407, 408, 
 &end
#
# 23 THR HB 25 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 THR QG2 25 ALA H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 380, 381, 382, 
 &end
#
# 24 ASN HA 19 PHE HZ 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN HB3 19 PHE HZ 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN H 22 ILE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN 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 HA 24 ASN H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASN HB3 24 ASN HB2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASN HA 24 ASN HB3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 393, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 ASN HB2 24 ASN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ASN HB3 24 ASN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN HB2 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN HB3 24 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 388, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 ASN 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
#
# 25 ALA QB 6 TRP HH2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HZ3 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 6 TRP HZ2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 20 ASN HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA QB 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA H 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ALA H 24 ASN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ALA HA 25 ALA QB 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 406, 407, 408, 
 &end
#
# 25 ALA QB 25 ALA H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 406, 407, 408, 
 &end
#
# 25 ALA HA 25 ALA H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ALA HA 26 SER H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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
#
# 26 SER HB3 17 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 270, 279, 
 &end
#
# 26 SER HB2 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 26 SER HA 17 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 270, 279, 
 &end
#
# 26 SER HA 19 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 312, 320, 
 &end
#
# 26 SER HB3 19 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &end
#
# 26 SER HB2 19 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 312, 320, 
 &end
#
# 26 SER HA 6 TRP HH2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HA 20 ASN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HB3 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB2 26 SER HA 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER 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 HB2 26 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 SER HB3 26 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HA 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 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 SER HB2 27 GLN H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLN QB 6 TRP HZ3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QB 6 TRP HH2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 27 GLN QG 6 TRP HH2 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QG 6 TRP HZ3 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 97, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QG 27 GLN QB 3
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
 igr1= 430, 431, 
 igr2= 427, 428, 
 &end
#
# 27 GLN HE21 27 GLN HE22 3
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 27 GLN HA 27 GLN 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 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 27 GLN HA 27 GLN H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 GLN QG 27 GLN HE22 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QG 27 GLN HE21 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QB 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= 427, 428, 
 &end
#
# 27 GLN QG 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 430, 431, 
 &end
#
# 27 GLN QG 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 QB 29 GLU HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 427, 428, 
 &end
#
# 28 PHE HA 17 TYR HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HA 17 TYR HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HA 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 28 PHE HA 18 TYR QE 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr2= 293, 298, 
 &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 QE 28 PHE QD 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 450, 454, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HZ 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HA 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB2 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB3 28 PHE QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 448, 456, 
 &end
#
# 28 PHE HB3 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HB2 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HA 28 PHE HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 445, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HA 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HA 28 PHE HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 PHE QD 28 PHE H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 448, 456, 
 &end
#
# 28 PHE HB2 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 PHE HB3 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 PHE HA 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HB3 27 GLN HE21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 435, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU H 28 PHE H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB2 28 PHE QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 450, 454, 
 &end
#
# 29 GLU HB3 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HG2 29 GLU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HA 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HG2 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB2 29 GLU H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HA 29 GLU HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HA 29 GLU HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HA 29 GLU HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HG3 29 GLU H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HA 30 ARG H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLU HB2 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLU HB3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HG2 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 GLU HG3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 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 HA 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 30 ARG QB 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 479, 480, 
 igr2= 293, 298, 
 &end
#
# 30 ARG QB 18 TYR QD 5.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 479, 480, 
 igr2= 291, 300, 
 &end
#
# 30 ARG HG2 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 30 ARG QB 30 ARG H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 479, 480, 
 &end
#
# 30 ARG HG3 30 ARG HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG QB 30 ARG HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 479, 480, 
 &end
#
# 30 ARG QB 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= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 479, 480, 
 &end
#
# 30 ARG QD 30 ARG QB 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr1= 485, 486, 
 igr2= 479, 480, 
 &end
#
# 30 ARG HA 30 ARG H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG HA 30 ARG HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 482, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG QD 30 ARG 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 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 HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 483, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG HG3 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG HG2 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 30 ARG HA 31 PRO HD3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 501, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ARG HA 31 PRO HD2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 ARG QD 30 ARG H 5
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 485, 486, 
 &end
#
# 31 PRO HB3 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 6 TRP HE1 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD2 18 TYR QE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 293, 298, 
 &end
#
# 31 PRO HD2 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HD3 18 TYR QD 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HD3 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 31 PRO HA 27 GLN HE21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD3 30 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HA 30 ARG HE 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 30 ARG HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 30 ARG HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 482, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD3 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB3 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 488, 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 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 500, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HG3 31 PRO HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 503, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HA 31 PRO HB2 4
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 506, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PRO HB3 31 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 31 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HA 31 PRO HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HB2 31 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD3 31 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HD2 31 PRO HG3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO 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 31 PRO HG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO 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 31 PRO HG2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 503, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD3 31 PRO HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD3 31 PRO HG3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HD2 31 PRO HB2 5
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HA 32 SER H 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HB3 32 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB2 32 SER H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HB3 33 GLY H 5
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HG2 30 ARG HE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HG3 6 TRP HE3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HG3 6 TRP HZ3 5
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 PRO HG3 18 TYR QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 291, 300, 
 &end
#
# 31 PRO HG2 18 TYR QE 5
 &rst
  ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 293, 298, 
 &end
#
# 32 SER HA 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HA 32 SER HB3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HB3 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HB2 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 SER HA 32 SER HB2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 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
#
# 33 GLY H 32 SER H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLY HA3 33 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 GLY HA2 33 GLY H 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H4 34 0XB H3 4
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 0XB H5E 34 0XB H5A 4
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 536, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 34 0XB H1 34 0XB H3 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H4 34 0XB H2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H4 34 0XB H5E 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 535, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H2 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H1 34 0XB H2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H1 34 0XB H5A 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H1 13 NLN HD21 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 0XB H1 15 THR QG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0XB H5E 11 PHE QD 4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, 
 igr2= 190, 198, 
 &end
#
# 34 0XB H3 34 0XB H5A 5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 536, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0XB H1 34 0XB H5E 5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0XB H1 11 PHE QD 5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 190, 198, 
 &end
#
# 34 0XB H5A 11 PHE QD 5.3
 &rst
  ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, 
 igr2= 190, 198, 
 &end
#
# 34 0XB H3 13 NLN HD21 5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 221, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 0XB H3 15 THR QG2 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0XB H5E 15 THR QG2 5.3
 &rst
  ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0XB H5A 15 THR QG2 4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, 
 igr2= 238, 239, 240, 
 &end
#
# 34 0XB H4 34 0XB H5E 5.3
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 535, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &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
# 548 atoms read from pdb file xylose_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 -12.786  -2.437   1.971
    2    H2   LYS   1           H2       LYS   1 -12.765  -2.321   3.599
    3    H3   LYS   1           H3       LYS   1 -11.764  -3.373   2.849
    4    HA   LYS   1           HA       LYS   1 -11.675  -0.434   2.637
    5    HB2  LYS   1           HB2      LYS   1 -10.913  -1.195   4.842
    6    HB3  LYS   1           HB3      LYS   1  -9.752  -2.291   4.089
    7    HG2  LYS   1           HG2      LYS   1  -8.608  -0.272   3.048
    8    HG3  LYS   1           HG3      LYS   1  -9.778   0.756   3.883
    9    HD2  LYS   1           HD2      LYS   1  -7.767   0.776   5.162
   10    HD3  LYS   1           HD3      LYS   1  -8.937  -0.191   6.073
   11    HE2  LYS   1           HE2      LYS   1  -7.881  -2.275   5.164
   12    HE3  LYS   1           HE3      LYS   1  -6.725  -1.284   4.259
   13    HZ1  LYS   1           HZ1      LYS   1  -5.913  -0.423   6.394
   14    HZ2  LYS   1           HZ2      LYS   1  -6.985  -1.337   7.221
   15    HZ3  LYS   1           HZ3      LYS   1  -5.792  -2.053   6.369
   16    H    LEU   2           H        LEU   2  -9.375  -3.166   2.066
   17    HA   LEU   2           HA       LEU   2  -8.210  -1.703  -0.147
   18    HB2  LEU   2           HB2      LEU   2  -7.060  -3.042   1.744
   19    HB3  LEU   2           HB3      LEU   2  -7.545  -4.489   0.845
   20    HG   LEU   2           HG       LEU   2  -6.241  -3.535  -1.142
   21   HD11  LEU   2          HD11      LEU   2  -4.500  -1.861  -0.594
   22   HD12  LEU   2          HD12      LEU   2  -6.104  -1.155  -0.398
   23   HD13  LEU   2          HD13      LEU   2  -5.186  -1.660   1.037
   24   HD21  LEU   2          HD21      LEU   2  -4.062  -4.203  -0.206
   25   HD22  LEU   2          HD22      LEU   2  -4.718  -4.054   1.446
   26   HD23  LEU   2          HD23      LEU   2  -5.352  -5.293   0.345
   27    HA   PRO   3           HA       PRO   3 -10.726  -3.716  -3.216
   28    HB2  PRO   3           HB2      PRO   3  -9.298  -3.221  -5.540
   29    HB3  PRO   3           HB3      PRO   3 -10.276  -2.004  -4.659
   30    HG2  PRO   3           HG2      PRO   3  -7.290  -2.491  -4.456
   31    HG3  PRO   3           HG3      PRO   3  -8.148  -0.940  -4.654
   32    HD2  PRO   3           HD2      PRO   3  -7.295  -1.786  -2.243
   33    HD3  PRO   3           HD3      PRO   3  -8.876  -0.966  -2.432
   34    HA   PRO   4           HA       PRO   4  -9.573  -7.857  -3.908
   35    HB2  PRO   4           HB2      PRO   4 -10.320  -7.548  -6.822
   36    HB3  PRO   4           HB3      PRO   4 -10.778  -8.846  -5.668
   37    HG2  PRO   4           HG2      PRO   4 -12.529  -6.863  -6.216
   38    HG3  PRO   4           HG3      PRO   4 -12.284  -7.378  -4.512
   39    HD2  PRO   4           HD2      PRO   4 -11.088  -4.993  -5.949
   40    HD3  PRO   4           HD3      PRO   4 -11.835  -5.087  -4.323
   41    H    GLY   5           H        GLY   5  -7.853  -9.123  -4.352
   42    HA2  GLY   5           HA2      GLY   5  -5.927  -9.937  -5.292
   43    HA3  GLY   5           HA3      GLY   5  -6.014  -8.699  -6.561
   44    H    TRP   6           H        TRP   6  -6.073  -6.577  -4.239
   45    HA   TRP   6           HA       TRP   6  -3.165  -6.302  -4.027
   46    HB2  TRP   6           HB2      TRP   6  -5.425  -4.566  -3.036
   47    HB3  TRP   6           HB3      TRP   6  -3.723  -4.205  -2.797
   48    HD1  TRP   6           HD1      TRP   6  -6.420  -4.199  -5.414
   49    HE1  TRP   6           HE1      TRP   6  -5.642  -2.963  -7.532
   50    HE3  TRP   6           HE3      TRP   6  -1.461  -3.795  -4.280
   51    HZ2  TRP   6           HZ2      TRP   6  -3.102  -2.184  -8.704
   52    HZ3  TRP   6           HZ3      TRP   6   0.145  -2.840  -5.952
   53    HH2  TRP   6           HH2      TRP   6  -0.669  -2.056  -8.154
   54    H    GLU   7           H        GLU   7  -1.911  -6.213  -2.212
   55    HA   GLU   7           HA       GLU   7  -3.059  -6.611   0.474
   56    HB2  GLU   7           HB2      GLU   7  -2.503  -8.883  -0.480
   57    HB3  GLU   7           HB3      GLU   7  -0.816  -8.365  -0.621
   58    HG2  GLU   7           HG2      GLU   7  -0.708  -8.028   1.825
   59    HG3  GLU   7           HG3      GLU   7  -2.419  -8.435   1.974
   60    H    LYS   8           H        LYS   8  -1.745  -5.645   2.103
   61    HA   LYS   8           HA       LYS   8   0.184  -3.655   1.213
   62    HB2  LYS   8           HB2      LYS   8  -0.803  -4.505   3.942
   63    HB3  LYS   8           HB3      LYS   8   0.594  -3.424   3.756
   64    HG2  LYS   8           HG2      LYS   8  -0.698  -1.891   2.362
   65    HG3  LYS   8           HG3      LYS   8  -2.112  -2.960   2.453
   66    HD2  LYS   8           HD2      LYS   8  -2.536  -1.195   3.959
   67    HD3  LYS   8           HD3      LYS   8  -2.081  -2.571   4.985
   68    HE2  LYS   8           HE2      LYS   8   0.256  -1.664   5.114
   69    HE3  LYS   8           HE3      LYS   8  -0.227  -0.311   4.079
   70    HZ1  LYS   8           HZ1      LYS   8  -1.790   0.373   5.814
   71    HZ2  LYS   8           HZ2      LYS   8  -1.351  -0.880   6.771
   72    HZ3  LYS   8           HZ3      LYS   8  -0.280   0.301   6.428
   73    H    ARG   9           H        ARG   9   2.309  -3.508   1.529
   74    HA   ARG   9           HA       ARG   9   3.926  -5.941   2.134
   75    HB2  ARG   9           HB2      ARG   9   3.111  -5.670  -0.354
   76    HB3  ARG   9           HB3      ARG   9   4.242  -4.332  -0.434
   77    HG2  ARG   9           HG2      ARG   9   5.239  -6.294  -1.390
   78    HG3  ARG   9           HG3      ARG   9   6.099  -5.948   0.127
   79    HD2  ARG   9           HD2      ARG   9   4.779  -7.722   1.260
   80    HD3  ARG   9           HD3      ARG   9   3.896  -8.037  -0.244
   81    HE   ARG   9           HE       ARG   9   6.671  -8.787   0.440
   82   HH11  ARG   9          HH11      ARG   9   4.330  -8.667  -2.179
   83   HH12  ARG   9          HH12      ARG   9   5.210  -9.830  -3.124
   84   HH21  ARG   9          HH21      ARG   9   7.735 -10.245  -0.831
   85   HH22  ARG   9          HH22      ARG   9   7.078 -10.694  -2.381
   86    H    MET  10           H        MET  10   6.326  -5.404   2.218
   87    HA   MET  10           HA       MET  10   6.939  -2.580   2.767
   88    HB2  MET  10           HB2      MET  10   5.780  -3.449   4.825
   89    HB3  MET  10           HB3      MET  10   7.078  -4.648   4.993
   90    HG2  MET  10           HG2      MET  10   8.719  -2.748   5.177
   91    HG3  MET  10           HG3      MET  10   7.358  -1.620   5.050
   92    HE1  MET  10           HE1      MET  10   8.424  -4.274   8.682
   93    HE2  MET  10           HE2      MET  10   7.948  -5.011   7.138
   94    HE3  MET  10           HE3      MET  10   9.427  -4.026   7.236
   95    H    PHE  11           H        PHE  11   8.995  -2.063   2.546
   96    HA   PHE  11           HA       PHE  11  10.973  -3.963   1.646
   97    HB2  PHE  11           HB2      PHE  11  11.029  -0.998   2.183
   98    HB3  PHE  11           HB3      PHE  11  12.469  -1.899   1.707
   99    HD1  PHE  11           HD1      PHE  11  12.479  -3.219  -0.477
  100    HD2  PHE  11           HD2      PHE  11   9.475  -0.280   0.493
  101    HE1  PHE  11           HE1      PHE  11  11.896  -3.014  -2.884
  102    HE2  PHE  11           HE2      PHE  11   8.903  -0.070  -1.912
  103    HZ   PHE  11           HZ       PHE  11  10.109  -1.438  -3.604
  104    H    ALA  12           H        ALA  12  13.154  -4.227   2.472
  105    HA   ALA  12           HA       ALA  12  13.239  -5.111   5.166
  106    HB1  ALA  12           HB1      ALA  12  15.649  -5.399   4.713
  107    HB2  ALA  12           HB2      ALA  12  14.672  -5.957   3.343
  108    HB3  ALA  12           HB3      ALA  12  15.510  -4.388   3.258
  109    H    ASN  13           H        ASN  13  13.808  -1.901   3.889
  110    HA   ASN  13           HA       ASN  13  15.093  -0.893   6.333
  111    HB2  ASN  13           HB2      ASN  13  15.177   1.235   5.151
  112    HB3  ASN  13           HB3      ASN  13  15.807  -0.082   4.154
  113   HD21  ASN  13          HD21      ASN  13  15.528   1.325   2.367
  114    H    GLY  14           H        GLY  14  11.923  -1.705   5.761
  115    HA2  GLY  14           HA2      GLY  14  10.149  -1.373   7.220
  116    HA3  GLY  14           HA3      GLY  14  10.954   0.029   7.943
  117    H    THR  15           H        THR  15  10.658   0.041   4.441
  118    HA   THR  15           HA       THR  15   8.669   2.239   4.574
  119    HB   THR  15           HB       THR  15  10.333   1.131   2.280
  120    HG1  THR  15           HG1      THR  15  11.660   2.101   3.572
  121   HG21  THR  15          HG21      THR  15   8.368   2.199   1.358
  122   HG22  THR  15          HG22      THR  15   8.588   3.612   2.424
  123   HG23  THR  15          HG23      THR  15   9.771   3.251   1.139
  124    H    VAL  16           H        VAL  16   6.555   1.928   4.137
  125    HA   VAL  16           HA       VAL  16   5.626  -0.748   3.297
  126    HB   VAL  16           HB       VAL  16   4.231   1.663   4.511
  127   HG11  VAL  16          HG11      VAL  16   2.563   0.491   3.169
  128   HG12  VAL  16          HG12      VAL  16   3.059  -1.072   3.865
  129   HG13  VAL  16          HG13      VAL  16   2.288   0.168   4.879
  130   HG21  VAL  16          HG21      VAL  16   5.720   0.424   6.067
  131   HG22  VAL  16          HG22      VAL  16   4.017   0.214   6.494
  132   HG23  VAL  16          HG23      VAL  16   4.882  -1.089   5.654
  133    H    TYR  17           H        TYR  17   4.337  -1.161   1.587
  134    HA   TYR  17           HA       TYR  17   3.365   0.891  -0.272
  135    HB2  TYR  17           HB2      TYR  17   4.622   0.121  -2.166
  136    HB3  TYR  17           HB3      TYR  17   5.764   0.560  -0.909
  137    HD1  TYR  17           HD1      TYR  17   4.616  -2.040  -3.150
  138    HD2  TYR  17           HD2      TYR  17   6.953  -1.281   0.398
  139    HE1  TYR  17           HE1      TYR  17   5.836  -4.177  -3.503
  140    HE2  TYR  17           HE2      TYR  17   8.202  -3.409   0.011
  141    HH   TYR  17           HH       TYR  17   7.590  -5.479  -2.825
  142    H    TYR  18           H        TYR  18   2.640  -0.673  -2.352
  143    HA   TYR  18           HA       TYR  18   0.894  -2.783  -1.184
  144    HB2  TYR  18           HB2      TYR  18   0.225  -0.641  -3.218
  145    HB3  TYR  18           HB3      TYR  18  -0.810  -2.017  -2.815
  146    HD1  TYR  18           HD1      TYR  18   0.656   1.131  -1.525
  147    HD2  TYR  18           HD2      TYR  18  -2.017  -2.157  -0.719
  148    HE1  TYR  18           HE1      TYR  18  -0.153   2.306   0.493
  149    HE2  TYR  18           HE2      TYR  18  -2.911  -0.936   1.247
  150    HH   TYR  18           HH       TYR  18  -1.599   2.234   2.277
  151    H    PHE  19           H        PHE  19   0.501  -4.629  -2.239
  152    HA   PHE  19           HA       PHE  19   1.798  -5.076  -4.866
  153    HB2  PHE  19           HB2      PHE  19   3.419  -5.828  -3.380
  154    HB3  PHE  19           HB3      PHE  19   2.218  -6.598  -2.333
  155    HD1  PHE  19           HD1      PHE  19   1.335  -8.835  -2.776
  156    HD2  PHE  19           HD2      PHE  19   4.102  -6.931  -5.489
  157    HE1  PHE  19           HE1      PHE  19   1.789 -11.016  -3.855
  158    HE2  PHE  19           HE2      PHE  19   4.506  -9.109  -6.602
  159    HZ   PHE  19           HZ       PHE  19   3.353 -11.163  -5.781
  160    H    ASN  20           H        ASN  20   0.778  -6.221  -6.366
  161    HA   ASN  20           HA       ASN  20  -1.929  -7.252  -5.689
  162    HB2  ASN  20           HB2      ASN  20  -1.619  -5.578  -7.514
  163    HB3  ASN  20           HB3      ASN  20  -0.649  -6.769  -8.404
  164   HD21  ASN  20          HD21      ASN  20  -4.448  -6.847  -9.173
  165   HD22  ASN  20          HD22      ASN  20  -3.445  -5.446  -8.791
  166    H    HIS  21           H        HIS  21  -1.958  -9.350  -5.082
  167    HA   HIS  21           HA       HIS  21   0.264 -11.119  -5.768
  168    HB2  HIS  21           HB2      HIS  21  -0.327 -12.329  -4.001
  169    HB3  HIS  21           HB3      HIS  21  -1.234 -10.891  -3.546
  170    HD2  HIS  21           HD2      HIS  21  -3.981 -10.998  -4.180
  171    HE1  HIS  21           HE1      HIS  21  -4.165 -15.257  -4.163
  172    HE2  HIS  21           HE2      HIS  21  -5.547 -13.120  -4.085
  173    H    ILE  22           H        ILE  22  -2.681 -10.438  -7.360
  174    HA   ILE  22           HA       ILE  22  -2.981 -13.036  -8.674
  175    HB   ILE  22           HB       ILE  22  -4.152 -10.330  -9.424
  176   HG12  ILE  22          HG12      ILE  22  -4.798 -10.783  -7.117
  177   HG13  ILE  22          HG13      ILE  22  -6.173 -10.861  -8.218
  178   HG21  ILE  22          HG21      ILE  22  -5.943 -11.705 -10.479
  179   HG22  ILE  22          HG22      ILE  22  -4.357 -11.879 -11.235
  180   HG23  ILE  22          HG23      ILE  22  -4.963 -13.156 -10.159
  181   HD11  ILE  22          HD11      ILE  22  -6.157 -13.325  -8.112
  182   HD12  ILE  22          HD12      ILE  22  -4.723 -13.281  -7.058
  183   HD13  ILE  22          HD13      ILE  22  -6.268 -12.610  -6.496
  184    H    THR  23           H        THR  23  -1.637  -9.832  -9.407
  185    HA   THR  23           HA       THR  23  -0.702 -10.737 -12.078
  186    HB   THR  23           HB       THR  23  -0.930  -8.554 -12.871
  187    HG1  THR  23           HG1      THR  23  -1.699  -6.964 -11.230
  188   HG21  THR  23          HG21      THR  23  -3.218  -7.949 -12.522
  189   HG22  THR  23          HG22      THR  23  -3.143  -9.719 -12.460
  190   HG23  THR  23          HG23      THR  23  -3.287  -8.780 -10.956
  191    H    ASN  24           H        ASN  24   0.664 -10.040  -9.112
  192    HA   ASN  24           HA       ASN  24   2.665  -9.605  -8.301
  193    HB2  ASN  24           HB2      ASN  24   3.759 -10.429 -11.012
  194    HB3  ASN  24           HB3      ASN  24   4.726 -10.159  -9.557
  195   HD21  ASN  24          HD21      ASN  24   4.783 -11.735  -7.932
  196   HD22  ASN  24          HD22      ASN  24   3.990 -13.299  -8.146
  197    H    ALA  25           H        ALA  25   1.147  -7.446 -10.001
  198    HA   ALA  25           HA       ALA  25   3.165  -5.419 -10.473
  199    HB1  ALA  25           HB1      ALA  25   0.174  -5.145  -9.949
  200    HB2  ALA  25           HB2      ALA  25   1.241  -3.910 -10.640
  201    HB3  ALA  25           HB3      ALA  25   0.926  -5.405 -11.540
  202    H    SER  26           H        SER  26   3.391  -3.407  -9.221
  203    HA   SER  26           HA       SER  26   2.494  -3.374  -6.444
  204    HB2  SER  26           HB2      SER  26   4.761  -3.101  -5.483
  205    HB3  SER  26           HB3      SER  26   4.468  -4.713  -6.140
  206    HG   SER  26           HG       SER  26   5.899  -2.613  -7.435
  207    H    GLN  27           H        GLN  27   2.672  -1.387  -5.384
  208    HA   GLN  27           HA       GLN  27   3.787   0.955  -6.754
  209    HB2  GLN  27           HB2      GLN  27   1.713   2.129  -7.056
  210    HB3  GLN  27           HB3      GLN  27   1.600   0.578  -7.894
  211    HG2  GLN  27           HG2      GLN  27   0.237  -0.334  -6.024
  212    HG3  GLN  27           HG3      GLN  27   0.364   1.207  -5.184
  213   HE21  GLN  27          HE21      GLN  27  -1.591   2.223  -5.310
  214   HE22  GLN  27          HE22      GLN  27  -2.561   2.338  -6.794
  215    H    PHE  28           H        PHE  28   3.866   2.845  -5.401
  216    HA   PHE  28           HA       PHE  28   3.781   2.264  -2.539
  217    HB2  PHE  28           HB2      PHE  28   5.696   3.359  -3.095
  218    HB3  PHE  28           HB3      PHE  28   4.874   4.499  -4.169
  219    HD1  PHE  28           HD1      PHE  28   3.764   6.502  -3.347
  220    HD2  PHE  28           HD2      PHE  28   5.696   3.755  -0.634
  221    HE1  PHE  28           HE1      PHE  28   3.637   8.198  -1.541
  222    HE2  PHE  28           HE2      PHE  28   5.582   5.462   1.168
  223    HZ   PHE  28           HZ       PHE  28   4.552   7.685   0.720
  224    H    GLU  29           H        GLU  29   1.814   4.326  -4.611
  225    HA   GLU  29           HA       GLU  29   0.355   5.497  -2.418
  226    HB2  GLU  29           HB2      GLU  29   0.536   6.723  -4.439
  227    HB3  GLU  29           HB3      GLU  29  -0.023   5.367  -5.409
  228    HG2  GLU  29           HG2      GLU  29  -1.690   7.065  -5.376
  229    HG3  GLU  29           HG3      GLU  29  -2.302   5.622  -4.593
  230    H    ARG  30           H        ARG  30  -1.655   5.066  -1.589
  231    HA   ARG  30           HA       ARG  30  -2.396   2.334  -1.371
  232    HB2  ARG  30           HB2      ARG  30  -2.660   3.841   0.424
  233    HB3  ARG  30           HB3      ARG  30  -3.750   4.891  -0.473
  234    HG2  ARG  30           HG2      ARG  30  -4.486   1.990   0.052
  235    HG3  ARG  30           HG3      ARG  30  -4.669   3.206   1.325
  236    HD2  ARG  30           HD2      ARG  30  -6.508   4.114   0.425
  237    HD3  ARG  30           HD3      ARG  30  -5.817   4.184  -1.181
  238    HE   ARG  30           HE       ARG  30  -6.605   2.017  -1.707
  239   HH11  ARG  30          HH11      ARG  30  -7.759   2.890   1.513
  240   HH12  ARG  30          HH12      ARG  30  -9.162   1.863   1.332
  241   HH21  ARG  30          HH21      ARG  30  -9.419   0.611  -0.463
  242   HH22  ARG  30          HH22      ARG  30  -8.331   0.843  -1.836
  243    HA   PRO  31           HA       PRO  31  -4.522   2.016  -5.208
  244    HB2  PRO  31           HB2      PRO  31  -5.421  -0.576  -5.109
  245    HB3  PRO  31           HB3      PRO  31  -3.701  -0.108  -5.267
  246    HG2  PRO  31           HG2      PRO  31  -5.168  -0.856  -2.718
  247    HG3  PRO  31           HG3      PRO  31  -3.602  -1.485  -3.326
  248    HD2  PRO  31           HD2      PRO  31  -3.723   0.513  -1.511
  249    HD3  PRO  31           HD3      PRO  31  -2.498   0.531  -2.821
  250    H    SER  32           H        SER  32  -6.396   2.767  -5.943
  251    HA   SER  32           HA       SER  32  -8.929   2.512  -4.444
  252    HB2  SER  32           HB2      SER  32  -8.284   3.766  -7.141
  253    HB3  SER  32           HB3      SER  32  -9.848   3.857  -6.315
  254    HG   SER  32           HG       SER  32  -8.896   5.017  -4.658
  255    H    GLY  33           H        GLY  33  -7.324   0.848  -7.062
  256    HA2  GLY  33           HA2      GLY  33  -9.011  -1.398  -7.186
  257    HA3  GLY  33           HA3      GLY  33  -9.592  -0.284  -8.425
  258    H1B  XYP 101           H1       XYP  34  12.805   2.184   1.664
  259    H2B  XYP 101           H2       XYP  34  15.494   2.639   0.252
  260    H3B  XYP 101           H3       XYP  34  12.777   3.934  -0.274
  261    H4B  XYP 101           H4       XYP  34  14.290   1.941  -2.030
  262   H5B1  XYP 101          H5E       XYP  34  12.545   0.310  -1.484
  263   H5B2  XYP 101          H5A       XYP  34  11.709   1.483  -0.446
  264   HO2B  XYP 101          H2O       XYP  34  15.012   4.844   1.005
  265   HO3B  XYP 101          H3O       XYP  34  15.285   4.115  -1.714
  266   HO4B  XYP 101          H4O       XYP  34  12.870   3.621  -2.961
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -11.563  -3.554   3.120
    2    H2   LYS   1           H2       LYS   1 -12.451  -2.330   2.487
    3    H3   LYS   1           H3       LYS   1 -12.379  -2.535   4.105
    4    HA   LYS   1           HA       LYS   1 -11.038  -0.673   3.457
    5    HB2  LYS   1           HB2      LYS   1 -10.357  -1.949   5.445
    6    HB3  LYS   1           HB3      LYS   1  -9.388  -3.030   4.445
    7    HG2  LYS   1           HG2      LYS   1  -8.008  -0.980   3.737
    8    HG3  LYS   1           HG3      LYS   1  -8.961  -0.041   4.889
    9    HD2  LYS   1           HD2      LYS   1  -6.922  -0.594   5.974
   10    HD3  LYS   1           HD3      LYS   1  -8.153  -1.637   6.703
   11    HE2  LYS   1           HE2      LYS   1  -7.421  -3.497   5.176
   12    HE3  LYS   1           HE3      LYS   1  -6.187  -2.428   4.489
   13    HZ1  LYS   1           HZ1      LYS   1  -6.331  -3.283   7.335
   14    HZ2  LYS   1           HZ2      LYS   1  -5.271  -3.851   6.233
   15    HZ3  LYS   1           HZ3      LYS   1  -5.189  -2.291   6.717
   16    H    LEU   2           H        LEU   2  -9.110  -3.506   2.341
   17    HA   LEU   2           HA       LEU   2  -7.931  -1.842   0.245
   18    HB2  LEU   2           HB2      LEU   2  -6.717  -3.292   1.984
   19    HB3  LEU   2           HB3      LEU   2  -7.303  -4.693   1.074
   20    HG   LEU   2           HG       LEU   2  -6.067  -3.746  -0.950
   21   HD11  LEU   2          HD11      LEU   2  -5.808  -1.390  -0.160
   22   HD12  LEU   2          HD12      LEU   2  -4.832  -1.960   1.205
   23   HD13  LEU   2          HD13      LEU   2  -4.245  -2.140  -0.470
   24   HD21  LEU   2          HD21      LEU   2  -4.444  -4.372   1.553
   25   HD22  LEU   2          HD22      LEU   2  -5.163  -5.563   0.450
   26   HD23  LEU   2          HD23      LEU   2  -3.864  -4.497  -0.128
   27    HA   PRO   3           HA       PRO   3 -10.578  -3.593  -2.875
   28    HB2  PRO   3           HB2      PRO   3  -9.147  -3.106  -5.200
   29    HB3  PRO   3           HB3      PRO   3 -10.051  -1.867  -4.273
   30    HG2  PRO   3           HG2      PRO   3  -7.094  -2.521  -4.105
   31    HG3  PRO   3           HG3      PRO   3  -7.863  -0.920  -4.261
   32    HD2  PRO   3           HD2      PRO   3  -7.044  -1.869  -1.889
   33    HD3  PRO   3           HD3      PRO   3  -8.586  -0.969  -2.035
   34    HA   PRO   4           HA       PRO   4  -9.614  -7.773  -3.694
   35    HB2  PRO   4           HB2      PRO   4 -10.478  -7.360  -6.562
   36    HB3  PRO   4           HB3      PRO   4 -10.940  -8.664  -5.419
   37    HG2  PRO   4           HG2      PRO   4 -12.627  -6.598  -5.850
   38    HG3  PRO   4           HG3      PRO   4 -12.336  -7.165  -4.170
   39    HD2  PRO   4           HD2      PRO   4 -11.096  -4.795  -5.598
   40    HD3  PRO   4           HD3      PRO   4 -11.786  -4.900  -3.947
   41    H    GLY   5           H        GLY   5  -7.955  -9.082  -4.255
   42    HA2  GLY   5           HA2      GLY   5  -6.089  -9.917  -5.307
   43    HA3  GLY   5           HA3      GLY   5  -6.204  -8.638  -6.532
   44    H    TRP   6           H        TRP   6  -6.118  -6.626  -4.083
   45    HA   TRP   6           HA       TRP   6  -3.198  -6.388  -4.066
   46    HB2  TRP   6           HB2      TRP   6  -5.373  -4.639  -2.932
   47    HB3  TRP   6           HB3      TRP   6  -3.658  -4.310  -2.748
   48    HD1  TRP   6           HD1      TRP   6  -6.446  -4.206  -5.273
   49    HE1  TRP   6           HE1      TRP   6  -5.716  -2.942  -7.389
   50    HE3  TRP   6           HE3      TRP   6  -1.449  -3.892  -4.288
   51    HZ2  TRP   6           HZ2      TRP   6  -3.201  -2.182  -8.629
   52    HZ3  TRP   6           HZ3      TRP   6   0.118  -2.923  -5.989
   53    HH2  TRP   6           HH2      TRP   6  -0.752  -2.091  -8.152
   54    H    GLU   7           H        GLU   7  -1.854  -6.243  -2.305
   55    HA   GLU   7           HA       GLU   7  -2.792  -6.970   0.413
   56    HB2  GLU   7           HB2      GLU   7  -1.975  -9.037  -0.925
   57    HB3  GLU   7           HB3      GLU   7  -0.389  -8.254  -0.934
   58    HG2  GLU   7           HG2      GLU   7  -0.615  -8.178   1.651
   59    HG3  GLU   7           HG3      GLU   7  -2.017  -9.222   1.457
   60    H    LYS   8           H        LYS   8  -1.540  -5.945   2.038
   61    HA   LYS   8           HA       LYS   8   0.324  -3.830   1.245
   62    HB2  LYS   8           HB2      LYS   8  -0.655  -4.855   3.920
   63    HB3  LYS   8           HB3      LYS   8   0.737  -3.763   3.806
   64    HG2  LYS   8           HG2      LYS   8  -0.573  -2.139   2.524
   65    HG3  LYS   8           HG3      LYS   8  -1.984  -3.214   2.580
   66    HD2  LYS   8           HD2      LYS   8  -2.363  -1.565   4.244
   67    HD3  LYS   8           HD3      LYS   8  -1.854  -3.007   5.144
   68    HE2  LYS   8           HE2      LYS   8   0.488  -2.088   5.200
   69    HE3  LYS   8           HE3      LYS   8  -0.076  -0.657   4.325
   70    HZ1  LYS   8           HZ1      LYS   8   0.018  -0.262   6.721
   71    HZ2  LYS   8           HZ2      LYS   8  -1.531  -0.161   6.219
   72    HZ3  LYS   8           HZ3      LYS   8  -1.013  -1.490   7.021
   73    H    ARG   9           H        ARG   9   2.426  -3.682   1.529
   74    HA   ARG   9           HA       ARG   9   4.102  -5.968   2.442
   75    HB2  ARG   9           HB2      ARG   9   4.428  -4.527  -0.216
   76    HB3  ARG   9           HB3      ARG   9   5.617  -5.646   0.455
   77    HG2  ARG   9           HG2      ARG   9   2.831  -6.331  -0.412
   78    HG3  ARG   9           HG3      ARG   9   4.314  -6.667  -1.321
   79    HD2  ARG   9           HD2      ARG   9   5.112  -8.179   0.444
   80    HD3  ARG   9           HD3      ARG   9   3.678  -7.835   1.423
   81    HE   ARG   9           HE       ARG   9   2.347  -9.183   0.072
   82   HH11  ARG   9          HH11      ARG   9   5.197 -10.543  -2.332
   83   HH12  ARG   9          HH12      ARG   9   5.525  -9.077  -1.443
   84   HH21  ARG   9          HH21      ARG   9   2.029 -10.909  -1.002
   85   HH22  ARG   9          HH22      ARG   9   3.242 -11.590  -2.095
   86    H    MET  10           H        MET  10   6.392  -5.338   2.394
   87    HA   MET  10           HA       MET  10   6.978  -2.550   3.156
   88    HB2  MET  10           HB2      MET  10   7.209  -4.776   5.229
   89    HB3  MET  10           HB3      MET  10   7.798  -3.118   5.394
   90    HG2  MET  10           HG2      MET  10   5.895  -2.993   6.610
   91    HG3  MET  10           HG3      MET  10   5.339  -2.399   5.044
   92    HE1  MET  10           HE1      MET  10   4.234  -6.453   7.045
   93    HE2  MET  10           HE2      MET  10   5.889  -6.150   6.486
   94    HE3  MET  10           HE3      MET  10   5.195  -5.158   7.790
   95    H    PHE  11           H        PHE  11   9.024  -2.001   2.939
   96    HA   PHE  11           HA       PHE  11  11.077  -3.873   2.050
   97    HB2  PHE  11           HB2      PHE  11  11.004  -0.891   2.474
   98    HB3  PHE  11           HB3      PHE  11  12.495  -1.749   2.082
   99    HD1  PHE  11           HD1      PHE  11   9.466  -0.309   0.722
  100    HD2  PHE  11           HD2      PHE  11  12.669  -3.086  -0.068
  101    HE1  PHE  11           HE1      PHE  11   8.993  -0.162  -1.711
  102    HE2  PHE  11           HE2      PHE  11  12.185  -2.946  -2.502
  103    HZ   PHE  11           HZ       PHE  11  10.349  -1.482  -3.326
  104    H    ALA  12           H        ALA  12  13.211  -4.078   2.980
  105    HA   ALA  12           HA       ALA  12  13.234  -4.716   5.754
  106    HB1  ALA  12           HB1      ALA  12  14.701  -5.737   4.050
  107    HB2  ALA  12           HB2      ALA  12  15.541  -4.183   3.828
  108    HB3  ALA  12           HB3      ALA  12  15.651  -5.045   5.378
  109    H    ASN  13           H        ASN  13  13.779  -1.646   4.184
  110    HA   ASN  13           HA       ASN  13  15.105  -0.382   6.473
  111    HB2  ASN  13           HB2      ASN  13  15.106   1.610   5.089
  112    HB3  ASN  13           HB3      ASN  13  15.662   0.216   4.151
  113   HD21  ASN  13          HD21      ASN  13  15.199   1.704   2.350
  114    H    GLY  14           H        GLY  14  11.896  -1.266   6.031
  115    HA2  GLY  14           HA2      GLY  14  10.144  -0.823   7.507
  116    HA3  GLY  14           HA3      GLY  14  10.945   0.649   8.077
  117    H    THR  15           H        THR  15  10.633   0.351   4.602
  118    HA   THR  15           HA       THR  15   8.573   2.495   4.525
  119    HB   THR  15           HB       THR  15  10.307   1.209   2.387
  120    HG1  THR  15           HG1      THR  15  11.477   2.377   3.748
  121   HG21  THR  15          HG21      THR  15   8.534   3.656   2.151
  122   HG22  THR  15          HG22      THR  15   9.733   3.094   0.953
  123   HG23  THR  15          HG23      THR  15   8.325   2.098   1.305
  124    H    VAL  16           H        VAL  16   6.491   2.162   3.851
  125    HA   VAL  16           HA       VAL  16   5.592  -0.604   3.371
  126    HB   VAL  16           HB       VAL  16   4.026   1.943   3.906
  127   HG11  VAL  16          HG11      VAL  16   3.160  -0.970   4.015
  128   HG12  VAL  16          HG12      VAL  16   2.192   0.423   4.553
  129   HG13  VAL  16          HG13      VAL  16   2.606   0.258   2.849
  130   HG21  VAL  16          HG21      VAL  16   4.860  -0.267   5.832
  131   HG22  VAL  16          HG22      VAL  16   5.433   1.414   5.853
  132   HG23  VAL  16          HG23      VAL  16   3.743   1.062   6.205
  133    H    TYR  17           H        TYR  17   4.431  -1.290   1.600
  134    HA   TYR  17           HA       TYR  17   3.605   0.564  -0.513
  135    HB2  TYR  17           HB2      TYR  17   4.789  -0.505  -2.316
  136    HB3  TYR  17           HB3      TYR  17   5.940   0.099  -1.136
  137    HD1  TYR  17           HD1      TYR  17   7.220  -1.487   0.318
  138    HD2  TYR  17           HD2      TYR  17   4.641  -2.884  -2.853
  139    HE1  TYR  17           HE1      TYR  17   8.504  -3.616   0.198
  140    HE2  TYR  17           HE2      TYR  17   5.937  -4.997  -2.979
  141    HH   TYR  17           HH       TYR  17   8.762  -5.609  -0.871
  142    H    TYR  18           H        TYR  18   2.740  -0.974  -2.425
  143    HA   TYR  18           HA       TYR  18   1.002  -3.068  -1.214
  144    HB2  TYR  18           HB2      TYR  18   0.249  -0.881  -3.178
  145    HB3  TYR  18           HB3      TYR  18  -0.792  -2.222  -2.681
  146    HD1  TYR  18           HD1      TYR  18  -1.822  -2.306  -0.475
  147    HD2  TYR  18           HD2      TYR  18   0.788   0.942  -1.593
  148    HE1  TYR  18           HE1      TYR  18  -2.621  -0.984   1.470
  149    HE2  TYR  18           HE2      TYR  18   0.053   2.225   0.413
  150    HH   TYR  18           HH       TYR  18  -2.330   0.902   2.730
  151    H    PHE  19           H        PHE  19   0.533  -4.847  -2.379
  152    HA   PHE  19           HA       PHE  19   1.720  -5.168  -5.076
  153    HB2  PHE  19           HB2      PHE  19   3.401  -6.018  -3.711
  154    HB3  PHE  19           HB3      PHE  19   2.233  -6.825  -2.652
  155    HD1  PHE  19           HD1      PHE  19   4.012  -7.057  -5.874
  156    HD2  PHE  19           HD2      PHE  19   1.282  -9.000  -3.158
  157    HE1  PHE  19           HE1      PHE  19   4.328  -9.194  -7.089
  158    HE2  PHE  19           HE2      PHE  19   1.635 -11.145  -4.349
  159    HZ   PHE  19           HZ       PHE  19   3.141 -11.248  -6.327
  160    H    ASN  20           H        ASN  20   0.642  -6.264  -6.583
  161    HA   ASN  20           HA       ASN  20  -2.060  -7.267  -5.844
  162    HB2  ASN  20           HB2      ASN  20  -1.789  -5.521  -7.602
  163    HB3  ASN  20           HB3      ASN  20  -0.872  -6.683  -8.581
  164   HD21  ASN  20          HD21      ASN  20  -3.620  -5.298  -8.870
  165   HD22  ASN  20          HD22      ASN  20  -4.677  -6.659  -9.256
  166    H    HIS  21           H        HIS  21  -2.082  -9.386  -5.302
  167    HA   HIS  21           HA       HIS  21   0.065 -11.161  -6.181
  168    HB2  HIS  21           HB2      HIS  21  -0.452 -12.439  -4.438
  169    HB3  HIS  21           HB3      HIS  21  -1.302 -11.006  -3.872
  170    HD2  HIS  21           HD2      HIS  21  -4.082 -11.030  -4.387
  171    HE1  HIS  21           HE1      HIS  21  -4.359 -15.282  -4.505
  172    HE2  HIS  21           HE2      HIS  21  -5.688 -13.121  -4.295
  173    H    ILE  22           H        ILE  22  -2.919 -10.355  -7.613
  174    HA   ILE  22           HA       ILE  22  -3.339 -12.895  -9.005
  175    HB   ILE  22           HB       ILE  22  -4.457 -10.134  -9.628
  176   HG12  ILE  22          HG12      ILE  22  -5.037 -10.623  -7.314
  177   HG13  ILE  22          HG13      ILE  22  -6.453 -10.656  -8.365
  178   HG21  ILE  22          HG21      ILE  22  -4.767 -11.627 -11.470
  179   HG22  ILE  22          HG22      ILE  22  -5.379 -12.914 -10.409
  180   HG23  ILE  22          HG23      ILE  22  -6.322 -11.424 -10.657
  181   HD11  ILE  22          HD11      ILE  22  -6.472 -13.123  -8.309
  182   HD12  ILE  22          HD12      ILE  22  -5.000 -13.123  -7.307
  183   HD13  ILE  22          HD13      ILE  22  -6.513 -12.440  -6.675
  184    H    THR  23           H        THR  23  -1.927  -9.705  -9.669
  185    HA   THR  23           HA       THR  23  -1.118 -10.528 -12.405
  186    HB   THR  23           HB       THR  23  -1.274  -8.296 -13.086
  187    HG1  THR  23           HG1      THR  23  -1.938  -6.768 -11.342
  188   HG21  THR  23          HG21      THR  23  -3.584  -8.537 -11.116
  189   HG22  THR  23          HG22      THR  23  -3.527  -7.627 -12.638
  190   HG23  THR  23          HG23      THR  23  -3.516  -9.398 -12.671
  191    H    ASN  24           H        ASN  24   0.361  -9.997  -9.455
  192    HA   ASN  24           HA       ASN  24   2.394  -9.690  -8.681
  193    HB2  ASN  24           HB2      ASN  24   3.437 -10.368 -11.448
  194    HB3  ASN  24           HB3      ASN  24   4.392 -10.302  -9.962
  195   HD21  ASN  24          HD21      ASN  24   2.926 -12.459 -11.984
  196   HD22  ASN  24          HD22      ASN  24   2.665 -13.752 -10.808
  197    H    ALA  25           H        ALA  25   0.919  -7.397 -10.229
  198    HA   ALA  25           HA       ALA  25   3.006  -5.433 -10.678
  199    HB1  ALA  25           HB1      ALA  25   0.746  -5.283 -11.685
  200    HB2  ALA  25           HB2      ALA  25   0.043  -5.062 -10.065
  201    HB3  ALA  25           HB3      ALA  25   1.143  -3.842 -10.731
  202    H    SER  26           H        SER  26   3.358  -3.491  -9.347
  203    HA   SER  26           HA       SER  26   2.487  -3.516  -6.569
  204    HB2  SER  26           HB2      SER  26   4.727  -3.359  -5.573
  205    HB3  SER  26           HB3      SER  26   4.428  -4.934  -6.308
  206    HG   SER  26           HG       SER  26   5.672  -4.326  -8.072
  207    H    GLN  27           H        GLN  27   2.753  -1.575  -5.451
  208    HA   GLN  27           HA       GLN  27   3.882   0.774  -6.790
  209    HB2  GLN  27           HB2      GLN  27   1.823   1.994  -7.019
  210    HB3  GLN  27           HB3      GLN  27   1.679   0.473  -7.903
  211    HG2  GLN  27           HG2      GLN  27   0.328  -0.480  -6.045
  212    HG3  GLN  27           HG3      GLN  27   0.480   1.035  -5.164
  213   HE21  GLN  27          HE21      GLN  27  -1.458   2.090  -5.252
  214   HE22  GLN  27          HE22      GLN  27  -2.448   2.242  -6.718
  215    H    PHE  28           H        PHE  28   4.081   2.597  -5.417
  216    HA   PHE  28           HA       PHE  28   4.018   2.021  -2.561
  217    HB2  PHE  28           HB2      PHE  28   5.929   3.111  -3.162
  218    HB3  PHE  28           HB3      PHE  28   5.089   4.249  -4.221
  219    HD1  PHE  28           HD1      PHE  28   6.023   3.532  -0.719
  220    HD2  PHE  28           HD2      PHE  28   3.982   6.253  -3.374
  221    HE1  PHE  28           HE1      PHE  28   5.969   5.248   1.076
  222    HE2  PHE  28           HE2      PHE  28   3.916   7.960  -1.575
  223    HZ   PHE  28           HZ       PHE  28   4.916   7.464   0.653
  224    H    GLU  29           H        GLU  29   2.035   4.075  -4.622
  225    HA   GLU  29           HA       GLU  29   0.628   5.304  -2.431
  226    HB2  GLU  29           HB2      GLU  29   0.806   6.497  -4.469
  227    HB3  GLU  29           HB3      GLU  29   0.207   5.141  -5.414
  228    HG2  GLU  29           HG2      GLU  29  -1.425   6.872  -5.381
  229    HG3  GLU  29           HG3      GLU  29  -2.056   5.453  -4.566
  230    H    ARG  30           H        ARG  30  -1.359   4.943  -1.580
  231    HA   ARG  30           HA       ARG  30  -2.178   2.246  -1.237
  232    HB2  ARG  30           HB2      ARG  30  -2.354   3.721   0.548
  233    HB3  ARG  30           HB3      ARG  30  -3.205   4.937  -0.388
  234    HG2  ARG  30           HG2      ARG  30  -4.550   3.845   1.348
  235    HG3  ARG  30           HG3      ARG  30  -5.259   3.801  -0.276
  236    HD2  ARG  30           HD2      ARG  30  -3.821   1.358   0.070
  237    HD3  ARG  30           HD3      ARG  30  -4.635   1.642   1.591
  238    HE   ARG  30           HE       ARG  30  -5.910   1.338  -1.106
  239   HH11  ARG  30          HH11      ARG  30  -6.493   1.491   2.371
  240   HH12  ARG  30          HH12      ARG  30  -8.173   1.067   2.139
  241   HH21  ARG  30          HH21      ARG  30  -7.963   0.917  -1.271
  242   HH22  ARG  30          HH22      ARG  30  -8.949   0.580   0.158
  243    HA   PRO  31           HA       PRO  31  -4.483   1.994  -5.047
  244    HB2  PRO  31           HB2      PRO  31  -5.287  -0.645  -4.942
  245    HB3  PRO  31           HB3      PRO  31  -3.617  -0.116  -5.313
  246    HG2  PRO  31           HG2      PRO  31  -4.724  -0.968  -2.605
  247    HG3  PRO  31           HG3      PRO  31  -3.236  -1.542  -3.432
  248    HD2  PRO  31           HD2      PRO  31  -3.123   0.371  -1.580
  249    HD3  PRO  31           HD3      PRO  31  -2.139   0.519  -3.066
  250    H    SER  32           H        SER  32  -6.522   2.235  -5.780
  251    HA   SER  32           HA       SER  32  -8.834   1.896  -3.917
  252    HB2  SER  32           HB2      SER  32  -9.942   3.595  -5.291
  253    HB3  SER  32           HB3      SER  32  -8.422   4.189  -4.602
  254    HG   SER  32           HG       SER  32  -8.637   4.721  -6.821
  255    H    GLY  33           H        GLY  33  -7.467   0.520  -6.740
  256    HA2  GLY  33           HA2      GLY  33  -9.318  -1.558  -7.055
  257    HA3  GLY  33           HA3      GLY  33  -9.833  -0.298  -8.175
  258    H1B  XYP 101           H1       XYP  34  12.294   1.833   1.658
  259    H2B  XYP 101           H2       XYP  34  14.594   3.650   0.769
  260    H3B  XYP 101           H3       XYP  34  11.640   3.837   0.018
  261    H4B  XYP 101           H4       XYP  34  13.959   2.926  -1.755
  262   H5B1  XYP 101          H5E       XYP  34  12.872   0.688  -1.710
  263   H5B2  XYP 101          H5A       XYP  34  11.654   1.292  -0.573
  264   HO2B  XYP 101          H2O       XYP  34  12.291   3.987   2.444
  265   HO3B  XYP 101          H3O       XYP  34  12.962   5.793   0.026
  266   HO4B  XYP 101          H4O       XYP  34  12.118   4.094  -2.665
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -12.777  -2.417   3.666
    2    H2   LYS   1           H2       LYS   1 -12.009  -3.459   2.667
    3    H3   LYS   1           H3       LYS   1 -12.734  -2.120   2.060
    4    HA   LYS   1           HA       LYS   1 -11.228  -0.672   3.193
    5    HB2  LYS   1           HB2      LYS   1 -10.767  -1.938   5.160
    6    HB3  LYS   1           HB3      LYS   1 -10.045  -3.255   4.247
    7    HG2  LYS   1           HG2      LYS   1  -8.360  -1.949   5.414
    8    HG3  LYS   1           HG3      LYS   1  -8.103  -1.887   3.678
    9    HD2  LYS   1           HD2      LYS   1  -9.201   0.386   3.632
   10    HD3  LYS   1           HD3      LYS   1  -9.332   0.324   5.393
   11    HE2  LYS   1           HE2      LYS   1  -6.725   0.126   3.802
   12    HE3  LYS   1           HE3      LYS   1  -7.357   1.619   4.507
   13    HZ1  LYS   1           HZ1      LYS   1  -7.203   0.580   6.704
   14    HZ2  LYS   1           HZ2      LYS   1  -6.578  -0.788   6.061
   15    HZ3  LYS   1           HZ3      LYS   1  -5.743   0.613   5.981
   16    H    LEU   2           H        LEU   2  -9.400  -3.565   2.046
   17    HA   LEU   2           HA       LEU   2  -8.162  -1.852   0.010
   18    HB2  LEU   2           HB2      LEU   2  -6.976  -3.257   1.815
   19    HB3  LEU   2           HB3      LEU   2  -7.448  -4.669   0.858
   20    HG   LEU   2           HG       LEU   2  -6.172  -3.620  -1.092
   21   HD11  LEU   2          HD11      LEU   2  -6.048  -1.266  -0.279
   22   HD12  LEU   2          HD12      LEU   2  -5.142  -1.804   1.146
   23   HD13  LEU   2          HD13      LEU   2  -4.434  -1.957  -0.479
   24   HD21  LEU   2          HD21      LEU   2  -4.643  -4.213   1.476
   25   HD22  LEU   2          HD22      LEU   2  -5.266  -5.419   0.336
   26   HD23  LEU   2          HD23      LEU   2  -3.982  -4.303  -0.179
   27    HA   PRO   3           HA       PRO   3 -10.666  -3.718  -3.159
   28    HB2  PRO   3           HB2      PRO   3  -9.227  -3.105  -5.454
   29    HB3  PRO   3           HB3      PRO   3 -10.238  -1.950  -4.530
   30    HG2  PRO   3           HG2      PRO   3  -7.244  -2.373  -4.337
   31    HG3  PRO   3           HG3      PRO   3  -8.143  -0.836  -4.451
   32    HD2  PRO   3           HD2      PRO   3  -7.264  -1.795  -2.090
   33    HD3  PRO   3           HD3      PRO   3  -8.863  -0.995  -2.229
   34    HA   PRO   4           HA       PRO   4  -9.545  -7.804  -3.998
   35    HB2  PRO   4           HB2      PRO   4 -10.234  -7.419  -6.917
   36    HB3  PRO   4           HB3      PRO   4 -10.731  -8.736  -5.803
   37    HG2  PRO   4           HG2      PRO   4 -12.443  -6.716  -6.334
   38    HG3  PRO   4           HG3      PRO   4 -12.234  -7.273  -4.637
   39    HD2  PRO   4           HD2      PRO   4 -10.979  -4.875  -6.002
   40    HD3  PRO   4           HD3      PRO   4 -11.756  -4.992  -4.392
   41    H    GLY   5           H        GLY   5  -7.841  -9.077  -4.419
   42    HA2  GLY   5           HA2      GLY   5  -5.903  -9.918  -5.328
   43    HA3  GLY   5           HA3      GLY   5  -5.941  -8.669  -6.588
   44    H    TRP   6           H        TRP   6  -6.034  -6.548  -4.280
   45    HA   TRP   6           HA       TRP   6  -3.147  -6.259  -4.058
   46    HB2  TRP   6           HB2      TRP   6  -5.421  -4.587  -3.005
   47    HB3  TRP   6           HB3      TRP   6  -3.725  -4.198  -2.770
   48    HD1  TRP   6           HD1      TRP   6  -6.455  -4.127  -5.347
   49    HE1  TRP   6           HE1      TRP   6  -5.706  -2.800  -7.417
   50    HE3  TRP   6           HE3      TRP   6  -1.467  -3.838  -4.306
   51    HZ2  TRP   6           HZ2      TRP   6  -3.177  -2.049  -8.634
   52    HZ3  TRP   6           HZ3      TRP   6   0.119  -2.864  -5.983
   53    HH2  TRP   6           HH2      TRP   6  -0.728  -1.990  -8.140
   54    H    GLU   7           H        GLU   7  -1.877  -6.110  -2.267
   55    HA   GLU   7           HA       GLU   7  -2.870  -6.762   0.422
   56    HB2  GLU   7           HB2      GLU   7  -2.354  -8.966  -0.501
   57    HB3  GLU   7           HB3      GLU   7  -0.859  -8.377  -1.191
   58    HG2  GLU   7           HG2      GLU   7  -0.396  -9.818   0.659
   59    HG3  GLU   7           HG3      GLU   7   0.197  -8.201   0.973
   60    H    LYS   8           H        LYS   8  -1.587  -5.903   2.074
   61    HA   LYS   8           HA       LYS   8   0.321  -3.812   1.305
   62    HB2  LYS   8           HB2      LYS   8  -0.828  -4.716   3.949
   63    HB3  LYS   8           HB3      LYS   8   0.602  -3.667   3.889
   64    HG2  LYS   8           HG2      LYS   8  -0.566  -2.058   2.464
   65    HG3  LYS   8           HG3      LYS   8  -2.007  -3.094   2.459
   66    HD2  LYS   8           HD2      LYS   8  -2.454  -1.362   4.020
   67    HD3  LYS   8           HD3      LYS   8  -2.062  -2.780   5.013
   68    HE2  LYS   8           HE2      LYS   8   0.291  -1.926   5.227
   69    HE3  LYS   8           HE3      LYS   8  -0.144  -0.528   4.232
   70    HZ1  LYS   8           HZ1      LYS   8  -0.240  -0.007   6.605
   71    HZ2  LYS   8           HZ2      LYS   8  -1.732   0.123   5.955
   72    HZ3  LYS   8           HZ3      LYS   8  -1.346  -1.176   6.872
   73    H    ARG   9           H        ARG   9   2.397  -3.743   1.449
   74    HA   ARG   9           HA       ARG   9   4.007  -5.995   2.600
   75    HB2  ARG   9           HB2      ARG   9   4.709  -4.537   0.037
   76    HB3  ARG   9           HB3      ARG   9   5.595  -5.877   0.754
   77    HG2  ARG   9           HG2      ARG   9   2.933  -5.922  -0.593
   78    HG3  ARG   9           HG3      ARG   9   4.449  -6.604  -1.202
   79    HD2  ARG   9           HD2      ARG   9   2.572  -7.686   0.896
   80    HD3  ARG   9           HD3      ARG   9   3.158  -8.450  -0.574
   81    HE   ARG   9           HE       ARG   9   5.340  -8.762   0.463
   82   HH11  ARG   9          HH11      ARG   9   2.777  -8.000   2.780
   83   HH12  ARG   9          HH12      ARG   9   3.584  -8.895   4.044
   84   HH21  ARG   9          HH21      ARG   9   6.313  -9.770   2.162
   85   HH22  ARG   9          HH22      ARG   9   5.528  -9.823   3.716
   86    H    MET  10           H        MET  10   6.318  -5.330   2.561
   87    HA   MET  10           HA       MET  10   6.916  -2.538   3.090
   88    HB2  MET  10           HB2      MET  10   5.817  -3.295   5.244
   89    HB3  MET  10           HB3      MET  10   7.173  -4.422   5.463
   90    HG2  MET  10           HG2      MET  10   8.731  -2.440   5.420
   91    HG3  MET  10           HG3      MET  10   7.315  -1.388   5.246
   92    HE1  MET  10           HE1      MET  10   9.573  -3.491   7.552
   93    HE2  MET  10           HE2      MET  10   8.634  -3.657   9.052
   94    HE3  MET  10           HE3      MET  10   8.142  -4.549   7.598
   95    H    PHE  11           H        PHE  11   8.990  -2.060   2.773
   96    HA   PHE  11           HA       PHE  11  10.944  -4.064   2.022
   97    HB2  PHE  11           HB2      PHE  11  11.024  -1.058   2.240
   98    HB3  PHE  11           HB3      PHE  11  12.450  -2.018   1.843
   99    HD1  PHE  11           HD1      PHE  11  12.386  -3.595  -0.180
  100    HD2  PHE  11           HD2      PHE  11   9.491  -0.469   0.492
  101    HE1  PHE  11           HE1      PHE  11  11.778  -3.634  -2.589
  102    HE2  PHE  11           HE2      PHE  11   8.898  -0.500  -1.917
  103    HZ   PHE  11           HZ       PHE  11  10.037  -2.085  -3.460
  104    H    ALA  12           H        ALA  12  13.134  -4.243   2.861
  105    HA   ALA  12           HA       ALA  12  13.220  -4.838   5.634
  106    HB1  ALA  12           HB1      ALA  12  14.642  -5.883   3.906
  107    HB2  ALA  12           HB2      ALA  12  15.491  -4.337   3.655
  108    HB3  ALA  12           HB3      ALA  12  15.627  -5.189   5.209
  109    H    ASN  13           H        ASN  13  13.799  -1.781   4.029
  110    HA   ASN  13           HA       ASN  13  15.111  -0.535   6.346
  111    HB2  ASN  13           HB2      ASN  13  15.190   1.463   4.952
  112    HB3  ASN  13           HB3      ASN  13  15.805   0.047   4.090
  113   HD21  ASN  13          HD21      ASN  13  15.515   1.257   2.168
  114    H    GLY  14           H        GLY  14  11.929  -1.382   5.887
  115    HA2  GLY  14           HA2      GLY  14  10.177  -0.892   7.332
  116    HA3  GLY  14           HA3      GLY  14  10.990   0.581   7.884
  117    H    THR  15           H        THR  15  10.667   0.222   4.407
  118    HA   THR  15           HA       THR  15   8.667   2.413   4.322
  119    HB   THR  15           HB       THR  15  10.326   1.075   2.150
  120    HG1  THR  15           HG1      THR  15  11.657   2.181   3.320
  121   HG21  THR  15          HG21      THR  15   8.356   2.032   1.123
  122   HG22  THR  15          HG22      THR  15   8.571   3.551   2.035
  123   HG23  THR  15          HG23      THR  15   9.753   3.063   0.792
  124    H    VAL  16           H        VAL  16   6.554   2.057   3.896
  125    HA   VAL  16           HA       VAL  16   5.623  -0.702   3.337
  126    HB   VAL  16           HB       VAL  16   4.257   1.841   4.288
  127   HG11  VAL  16          HG11      VAL  16   2.988  -0.894   3.865
  128   HG12  VAL  16          HG12      VAL  16   2.250   0.471   4.729
  129   HG13  VAL  16          HG13      VAL  16   2.577   0.609   3.004
  130   HG21  VAL  16          HG21      VAL  16   3.966   0.576   6.384
  131   HG22  VAL  16          HG22      VAL  16   4.796  -0.823   5.673
  132   HG23  VAL  16          HG23      VAL  16   5.679   0.690   5.967
  133    H    TYR  17           H        TYR  17   4.376  -1.280   1.608
  134    HA   TYR  17           HA       TYR  17   3.510   0.639  -0.441
  135    HB2  TYR  17           HB2      TYR  17   4.817  -0.256  -2.233
  136    HB3  TYR  17           HB3      TYR  17   5.939   0.214  -0.964
  137    HD1  TYR  17           HD1      TYR  17   7.042  -1.566   0.458
  138    HD2  TYR  17           HD2      TYR  17   4.725  -2.503  -3.066
  139    HE1  TYR  17           HE1      TYR  17   8.185  -3.772   0.282
  140    HE2  TYR  17           HE2      TYR  17   5.849  -4.718  -3.217
  141    HH   TYR  17           HH       TYR  17   8.428  -5.682  -0.937
  142    H    TYR  18           H        TYR  18   2.696  -0.846  -2.390
  143    HA   TYR  18           HA       TYR  18   0.983  -2.983  -1.227
  144    HB2  TYR  18           HB2      TYR  18   0.276  -0.794  -3.200
  145    HB3  TYR  18           HB3      TYR  18  -0.765  -2.161  -2.778
  146    HD1  TYR  18           HD1      TYR  18   0.813   0.937  -1.483
  147    HD2  TYR  18           HD2      TYR  18  -1.935  -2.287  -0.665
  148    HE1  TYR  18           HE1      TYR  18   0.082   2.102   0.572
  149    HE2  TYR  18           HE2      TYR  18  -2.753  -1.068   1.337
  150    HH   TYR  18           HH       TYR  18  -1.320   2.040   2.389
  151    H    PHE  19           H        PHE  19   0.556  -4.792  -2.322
  152    HA   PHE  19           HA       PHE  19   1.768  -5.182  -5.004
  153    HB2  PHE  19           HB2      PHE  19   3.403  -6.028  -3.566
  154    HB3  PHE  19           HB3      PHE  19   2.188  -6.805  -2.536
  155    HD1  PHE  19           HD1      PHE  19   3.835  -7.018  -5.858
  156    HD2  PHE  19           HD2      PHE  19   1.443  -9.048  -2.888
  157    HE1  PHE  19           HE1      PHE  19   4.200  -9.170  -7.033
  158    HE2  PHE  19           HE2      PHE  19   1.871 -11.204  -4.030
  159    HZ   PHE  19           HZ       PHE  19   3.228 -11.274  -6.116
  160    H    ASN  20           H        ASN  20   0.635  -6.204  -6.505
  161    HA   ASN  20           HA       ASN  20  -2.034  -7.271  -5.752
  162    HB2  ASN  20           HB2      ASN  20  -1.815  -5.549  -7.538
  163    HB3  ASN  20           HB3      ASN  20  -0.862  -6.699  -8.496
  164   HD21  ASN  20          HD21      ASN  20  -3.616  -5.406  -8.869
  165   HD22  ASN  20          HD22      ASN  20  -4.653  -6.794  -9.201
  166    H    HIS  21           H        HIS  21  -1.936  -9.369  -5.122
  167    HA   HIS  21           HA       HIS  21   0.273 -11.085  -5.882
  168    HB2  HIS  21           HB2      HIS  21  -0.405 -12.429  -4.213
  169    HB3  HIS  21           HB3      HIS  21  -1.293 -10.998  -3.703
  170    HD2  HIS  21           HD2      HIS  21  -3.995 -10.995  -4.193
  171    HE1  HIS  21           HE1      HIS  21  -4.384 -15.140  -5.055
  172    HE2  HIS  21           HE2      HIS  21  -5.655 -13.015  -4.498
  173    H    ILE  22           H        ILE  22  -2.794 -10.494  -7.364
  174    HA   ILE  22           HA       ILE  22  -2.988 -13.056  -8.717
  175    HB   ILE  22           HB       ILE  22  -4.504 -10.442  -9.123
  176   HG12  ILE  22          HG12      ILE  22  -5.060 -12.966  -7.486
  177   HG13  ILE  22          HG13      ILE  22  -4.794 -11.324  -6.871
  178   HG21  ILE  22          HG21      ILE  22  -6.176 -11.817 -10.309
  179   HG22  ILE  22          HG22      ILE  22  -4.631 -11.875 -11.132
  180   HG23  ILE  22          HG23      ILE  22  -5.138 -13.252 -10.126
  181   HD11  ILE  22          HD11      ILE  22  -6.937 -10.613  -7.938
  182   HD12  ILE  22          HD12      ILE  22  -7.244 -12.327  -8.336
  183   HD13  ILE  22          HD13      ILE  22  -7.091 -11.828  -6.646
  184    H    THR  23           H        THR  23  -1.954  -9.768  -9.533
  185    HA   THR  23           HA       THR  23  -1.159 -10.570 -12.281
  186    HB   THR  23           HB       THR  23  -1.394  -8.333 -12.944
  187    HG1  THR  23           HG1      THR  23  -2.188  -6.987 -10.963
  188   HG21  THR  23          HG21      THR  23  -3.653  -8.718 -10.929
  189   HG22  THR  23          HG22      THR  23  -3.660  -7.723 -12.400
  190   HG23  THR  23          HG23      THR  23  -3.588  -9.490 -12.529
  191    H    ASN  24           H        ASN  24   0.368 -10.008  -9.363
  192    HA   ASN  24           HA       ASN  24   2.409  -9.647  -8.633
  193    HB2  ASN  24           HB2      ASN  24   3.383 -10.345 -11.420
  194    HB3  ASN  24           HB3      ASN  24   4.394 -10.210  -9.976
  195   HD21  ASN  24          HD21      ASN  24   2.809 -12.445 -11.866
  196   HD22  ASN  24          HD22      ASN  24   2.678 -13.718 -10.647
  197    H    ALA  25           H        ALA  25   0.863  -7.384 -10.181
  198    HA   ALA  25           HA       ALA  25   2.921  -5.394 -10.661
  199    HB1  ALA  25           HB1      ALA  25   1.033  -3.833 -10.722
  200    HB2  ALA  25           HB2      ALA  25   0.654  -5.292 -11.656
  201    HB3  ALA  25           HB3      ALA  25  -0.043  -5.064 -10.035
  202    H    SER  26           H        SER  26   3.269  -3.439  -9.351
  203    HA   SER  26           HA       SER  26   2.428  -3.449  -6.558
  204    HB2  SER  26           HB2      SER  26   4.692  -3.259  -5.613
  205    HB3  SER  26           HB3      SER  26   4.391  -4.840  -6.334
  206    HG   SER  26           HG       SER  26   6.432  -4.018  -6.927
  207    H    GLN  27           H        GLN  27   2.697  -1.500  -5.448
  208    HA   GLN  27           HA       GLN  27   3.811   0.851  -6.787
  209    HB2  GLN  27           HB2      GLN  27   1.761   2.084  -7.007
  210    HB3  GLN  27           HB3      GLN  27   1.596   0.564  -7.889
  211    HG2  GLN  27           HG2      GLN  27   0.256  -0.372  -6.005
  212    HG3  GLN  27           HG3      GLN  27   0.420   1.152  -5.143
  213   HE21  GLN  27          HE21      GLN  27  -1.520   2.207  -5.228
  214   HE22  GLN  27          HE22      GLN  27  -2.515   2.350  -6.692
  215    H    PHE  28           H        PHE  28   3.959   2.703  -5.399
  216    HA   PHE  28           HA       PHE  28   3.940   2.065  -2.549
  217    HB2  PHE  28           HB2      PHE  28   5.854   3.148  -3.143
  218    HB3  PHE  28           HB3      PHE  28   5.016   4.317  -4.170
  219    HD1  PHE  28           HD1      PHE  28   5.929   3.495  -0.678
  220    HD2  PHE  28           HD2      PHE  28   3.967   6.324  -3.280
  221    HE1  PHE  28           HE1      PHE  28   5.896   5.166   1.159
  222    HE2  PHE  28           HE2      PHE  28   3.925   7.988  -1.439
  223    HZ   PHE  28           HZ       PHE  28   4.894   7.414   0.784
  224    H    GLU  29           H        GLU  29   1.966   4.205  -4.533
  225    HA   GLU  29           HA       GLU  29   0.581   5.381  -2.282
  226    HB2  GLU  29           HB2      GLU  29   0.863   6.537  -4.390
  227    HB3  GLU  29           HB3      GLU  29  -0.073   5.298  -5.249
  228    HG2  GLU  29           HG2      GLU  29  -2.095   5.905  -4.011
  229    HG3  GLU  29           HG3      GLU  29  -1.180   7.038  -3.008
  230    H    ARG  30           H        ARG  30  -1.401   4.927  -1.384
  231    HA   ARG  30           HA       ARG  30  -2.194   2.223  -1.254
  232    HB2  ARG  30           HB2      ARG  30  -2.393   3.691   0.584
  233    HB3  ARG  30           HB3      ARG  30  -3.494   4.772  -0.259
  234    HG2  ARG  30           HG2      ARG  30  -4.251   1.871   0.222
  235    HG3  ARG  30           HG3      ARG  30  -4.384   3.060   1.525
  236    HD2  ARG  30           HD2      ARG  30  -6.235   4.014   0.694
  237    HD3  ARG  30           HD3      ARG  30  -5.591   4.101  -0.929
  238    HE   ARG  30           HE       ARG  30  -6.417   1.949  -1.462
  239   HH11  ARG  30          HH11      ARG  30  -7.506   2.830   1.779
  240   HH12  ARG  30          HH12      ARG  30  -8.887   1.763   1.639
  241   HH21  ARG  30          HH21      ARG  30  -8.124   0.741  -1.534
  242   HH22  ARG  30          HH22      ARG  30  -9.155   0.491  -0.117
  243    HA   PRO  31           HA       PRO  31  -4.441   2.012  -5.033
  244    HB2  PRO  31           HB2      PRO  31  -5.361  -0.570  -4.968
  245    HB3  PRO  31           HB3      PRO  31  -3.638  -0.120  -5.153
  246    HG2  PRO  31           HG2      PRO  31  -5.060  -0.898  -2.588
  247    HG3  PRO  31           HG3      PRO  31  -3.518  -1.541  -3.244
  248    HD2  PRO  31           HD2      PRO  31  -3.557   0.423  -1.391
  249    HD3  PRO  31           HD3      PRO  31  -2.367   0.446  -2.732
  250    H    SER  32           H        SER  32  -6.339   2.773  -5.707
  251    HA   SER  32           HA       SER  32  -8.785   2.576  -4.064
  252    HB2  SER  32           HB2      SER  32  -9.706   4.129  -5.737
  253    HB3  SER  32           HB3      SER  32  -8.204   4.725  -5.012
  254    HG   SER  32           HG       SER  32  -8.230   4.973  -7.291
  255    H    GLY  33           H        GLY  33  -7.415   0.952  -6.822
  256    HA2  GLY  33           HA2      GLY  33  -9.286  -1.152  -6.947
  257    HA3  GLY  33           HA3      GLY  33  -9.803   0.038  -8.138
  258    H1B  XYP 101           H1       XYP  34  12.794   2.057   1.401
  259    H2B  XYP 101           H2       XYP  34  15.472   2.319  -0.082
  260    H3B  XYP 101           H3       XYP  34  12.752   3.560  -0.732
  261    H4B  XYP 101           H4       XYP  34  14.282   1.376  -2.235
  262   H5B1  XYP 101          H5E       XYP  34  12.500  -0.161  -1.522
  263   H5B2  XYP 101          H5A       XYP  34  11.681   1.139  -0.631
  264   HO2B  XYP 101          H2O       XYP  34  15.046   4.586   0.413
  265   HO3B  XYP 101          H3O       XYP  34  13.952   4.085  -2.707
  266   HO4B  XYP 101          H4O       XYP  34  12.367   1.407  -3.522
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1 -12.529  -1.953   2.274
    2    H2   LYS   1           H2       LYS   1 -12.365  -1.893   3.899
    3    H3   LYS   1           H3       LYS   1 -11.573  -3.041   3.043
    4    HA   LYS   1           HA       LYS   1 -11.115  -0.134   2.886
    5    HB2  LYS   1           HB2      LYS   1 -10.285  -1.000   5.005
    6    HB3  LYS   1           HB3      LYS   1  -9.391  -2.279   4.181
    7    HG2  LYS   1           HG2      LYS   1  -8.004  -0.493   3.030
    8    HG3  LYS   1           HG3      LYS   1  -8.870   0.722   3.986
    9    HD2  LYS   1           HD2      LYS   1  -7.986  -0.285   6.069
   10    HD3  LYS   1           HD3      LYS   1  -7.265  -1.606   5.141
   11    HE2  LYS   1           HE2      LYS   1  -5.502  -0.088   5.663
   12    HE3  LYS   1           HE3      LYS   1  -5.822   0.030   3.928
   13    HZ1  LYS   1           HZ1      LYS   1  -7.095   2.072   4.391
   14    HZ2  LYS   1           HZ2      LYS   1  -6.800   1.938   5.993
   15    HZ3  LYS   1           HZ3      LYS   1  -5.572   2.222   4.958
   16    H    LEU   2           H        LEU   2  -9.151  -3.059   2.124
   17    HA   LEU   2           HA       LEU   2  -8.006  -1.632  -0.109
   18    HB2  LEU   2           HB2      LEU   2  -6.844  -3.003   1.702
   19    HB3  LEU   2           HB3      LEU   2  -7.425  -4.448   0.857
   20    HG   LEU   2           HG       LEU   2  -6.111  -3.669  -1.153
   21   HD11  LEU   2          HD11      LEU   2  -4.347  -1.955  -0.744
   22   HD12  LEU   2          HD12      LEU   2  -5.949  -1.234  -0.632
   23   HD13  LEU   2          HD13      LEU   2  -5.054  -1.608   0.853
   24   HD21  LEU   2          HD21      LEU   2  -3.916  -4.252  -0.223
   25   HD22  LEU   2          HD22      LEU   2  -4.524  -3.966   1.428
   26   HD23  LEU   2          HD23      LEU   2  -5.184  -5.295   0.453
   27    HA   PRO   3           HA       PRO   3 -10.544  -3.534  -3.212
   28    HB2  PRO   3           HB2      PRO   3  -8.385  -3.370  -5.236
   29    HB3  PRO   3           HB3      PRO   3  -9.968  -2.543  -5.198
   30    HG2  PRO   3           HG2      PRO   3  -7.598  -1.228  -4.732
   31    HG3  PRO   3           HG3      PRO   3  -9.132  -0.777  -3.918
   32    HD2  PRO   3           HD2      PRO   3  -6.866  -2.472  -2.831
   33    HD3  PRO   3           HD3      PRO   3  -7.780  -1.151  -2.062
   34    HA   PRO   4           HA       PRO   4  -9.597  -7.872  -3.763
   35    HB2  PRO   4           HB2      PRO   4 -10.461  -7.549  -6.639
   36    HB3  PRO   4           HB3      PRO   4 -10.935  -8.806  -5.450
   37    HG2  PRO   4           HG2      PRO   4 -12.616  -6.757  -5.988
   38    HG3  PRO   4           HG3      PRO   4 -12.356  -7.267  -4.286
   39    HD2  PRO   4           HD2      PRO   4 -11.080  -4.948  -5.768
   40    HD3  PRO   4           HD3      PRO   4 -11.809  -4.989  -4.130
   41    H    GLY   5           H        GLY   5  -7.869  -9.122  -4.319
   42    HA2  GLY   5           HA2      GLY   5  -5.962  -9.874  -5.321
   43    HA3  GLY   5           HA3      GLY   5  -6.178  -8.693  -6.628
   44    H    TRP   6           H        TRP   6  -6.139  -6.562  -4.235
   45    HA   TRP   6           HA       TRP   6  -3.198  -6.255  -4.160
   46    HB2  TRP   6           HB2      TRP   6  -5.436  -4.485  -3.181
   47    HB3  TRP   6           HB3      TRP   6  -3.733  -4.148  -2.924
   48    HD1  TRP   6           HD1      TRP   6  -6.386  -4.193  -5.602
   49    HE1  TRP   6           HE1      TRP   6  -5.607  -2.910  -7.688
   50    HE3  TRP   6           HE3      TRP   6  -1.465  -3.612  -4.353
   51    HZ2  TRP   6           HZ2      TRP   6  -3.103  -1.945  -8.757
   52    HZ3  TRP   6           HZ3      TRP   6   0.113  -2.481  -5.947
   53    HH2  TRP   6           HH2      TRP   6  -0.696  -1.673  -8.138
   54    H    GLU   7           H        GLU   7  -1.933  -6.256  -2.374
   55    HA   GLU   7           HA       GLU   7  -3.052  -6.754   0.324
   56    HB2  GLU   7           HB2      GLU   7  -0.886  -8.364  -1.093
   57    HB3  GLU   7           HB3      GLU   7  -1.064  -8.353   0.658
   58    HG2  GLU   7           HG2      GLU   7  -3.153  -9.316  -1.343
   59    HG3  GLU   7           HG3      GLU   7  -2.060 -10.329  -0.419
   60    H    LYS   8           H        LYS   8  -1.743  -5.929   2.018
   61    HA   LYS   8           HA       LYS   8   0.093  -3.768   1.251
   62    HB2  LYS   8           HB2      LYS   8  -0.956  -4.741   3.911
   63    HB3  LYS   8           HB3      LYS   8   0.438  -3.644   3.815
   64    HG2  LYS   8           HG2      LYS   8  -0.830  -2.068   2.430
   65    HG3  LYS   8           HG3      LYS   8  -2.236  -3.148   2.462
   66    HD2  LYS   8           HD2      LYS   8  -2.686  -1.420   4.015
   67    HD3  LYS   8           HD3      LYS   8  -2.266  -2.837   4.999
   68    HE2  LYS   8           HE2      LYS   8   0.079  -1.956   5.204
   69    HE3  LYS   8           HE3      LYS   8  -0.381  -0.555   4.226
   70    HZ1  LYS   8           HZ1      LYS   8  -0.466  -0.061   6.606
   71    HZ2  LYS   8           HZ2      LYS   8  -1.962   0.062   5.967
   72    HZ3  LYS   8           HZ3      LYS   8  -1.559  -1.244   6.867
   73    H    ARG   9           H        ARG   9   2.213  -3.582   1.618
   74    HA   ARG   9           HA       ARG   9   3.871  -5.995   2.180
   75    HB2  ARG   9           HB2      ARG   9   3.080  -5.695  -0.308
   76    HB3  ARG   9           HB3      ARG   9   4.179  -4.331  -0.354
   77    HG2  ARG   9           HG2      ARG   9   5.226  -6.250  -1.341
   78    HG3  ARG   9           HG3      ARG   9   6.069  -5.911   0.184
   79    HD2  ARG   9           HD2      ARG   9   4.744  -7.736   1.270
   80    HD3  ARG   9           HD3      ARG   9   3.949  -8.066  -0.279
   81    HE   ARG   9           HE       ARG   9   6.707  -8.725   0.543
   82   HH11  ARG   9          HH11      ARG   9   4.534  -8.614  -2.221
   83   HH12  ARG   9          HH12      ARG   9   5.525  -9.705  -3.140
   84   HH21  ARG   9          HH21      ARG   9   7.914 -10.088  -0.703
   85   HH22  ARG   9          HH22      ARG   9   7.380 -10.508  -2.307
   86    H    MET  10           H        MET  10   6.261  -5.419   2.224
   87    HA   MET  10           HA       MET  10   6.862  -2.615   2.874
   88    HB2  MET  10           HB2      MET  10   5.778  -3.546   4.928
   89    HB3  MET  10           HB3      MET  10   7.038  -4.794   4.987
   90    HG2  MET  10           HG2      MET  10   8.732  -2.890   5.133
   91    HG3  MET  10           HG3      MET  10   7.360  -1.793   5.359
   92    HE1  MET  10           HE1      MET  10   5.962  -1.627   7.633
   93    HE2  MET  10           HE2      MET  10   5.359  -3.259   7.247
   94    HE3  MET  10           HE3      MET  10   5.986  -2.898   8.870
   95    H    PHE  11           H        PHE  11   8.911  -2.086   2.596
   96    HA   PHE  11           HA       PHE  11  10.867  -3.937   1.547
   97    HB2  PHE  11           HB2      PHE  11  10.920  -0.990   2.192
   98    HB3  PHE  11           HB3      PHE  11  12.346  -1.861   1.627
   99    HD1  PHE  11           HD1      PHE  11  12.249  -3.134  -0.599
  100    HD2  PHE  11           HD2      PHE  11   9.339  -0.177   0.583
  101    HE1  PHE  11           HE1      PHE  11  11.582  -2.833  -2.974
  102    HE2  PHE  11           HE2      PHE  11   8.689   0.133  -1.792
  103    HZ   PHE  11           HZ       PHE  11   9.805  -1.197  -3.573
  104    H    ALA  12           H        ALA  12  13.078  -4.208   2.285
  105    HA   ALA  12           HA       ALA  12  13.281  -5.160   4.951
  106    HB1  ALA  12           HB1      ALA  12  14.655  -5.937   3.051
  107    HB2  ALA  12           HB2      ALA  12  15.466  -4.354   2.976
  108    HB3  ALA  12           HB3      ALA  12  15.675  -5.399   4.397
  109    H    ASN  13           H        ASN  13  13.740  -1.906   3.742
  110    HA   ASN  13           HA       ASN  13  15.121  -0.951   6.157
  111    HB2  ASN  13           HB2      ASN  13  15.168   1.195   5.036
  112    HB3  ASN  13           HB3      ASN  13  15.717  -0.087   3.948
  113   HD21  ASN  13          HD21      ASN  13  15.344   1.321   2.197
  114    H    GLY  14           H        GLY  14  11.927  -1.765   5.678
  115    HA2  GLY  14           HA2      GLY  14  10.222  -1.495   7.235
  116    HA3  GLY  14           HA3      GLY  14  11.034  -0.091   7.942
  117    H    THR  15           H        THR  15  10.615   0.022   4.469
  118    HA   THR  15           HA       THR  15   8.582   2.170   4.732
  119    HB   THR  15           HB       THR  15  10.229   1.154   2.382
  120    HG1  THR  15           HG1      THR  15  11.533   2.152   3.674
  121   HG21  THR  15          HG21      THR  15   8.414   3.584   2.558
  122   HG22  THR  15          HG22      THR  15   9.599   3.263   1.264
  123   HG23  THR  15          HG23      THR  15   8.226   2.175   1.480
  124    H    VAL  16           H        VAL  16   6.465   1.910   4.191
  125    HA   VAL  16           HA       VAL  16   5.531  -0.777   3.368
  126    HB   VAL  16           HB       VAL  16   4.148   1.670   4.527
  127   HG11  VAL  16          HG11      VAL  16   2.142   0.238   4.814
  128   HG12  VAL  16          HG12      VAL  16   2.485   0.568   3.119
  129   HG13  VAL  16          HG13      VAL  16   2.904  -1.017   3.813
  130   HG21  VAL  16          HG21      VAL  16   3.821   0.204   6.486
  131   HG22  VAL  16          HG22      VAL  16   4.664  -1.117   5.650
  132   HG23  VAL  16          HG23      VAL  16   5.543   0.361   6.113
  133    H    TYR  17           H        TYR  17   4.287  -1.199   1.629
  134    HA   TYR  17           HA       TYR  17   3.318   0.849  -0.225
  135    HB2  TYR  17           HB2      TYR  17   4.553   0.098  -2.139
  136    HB3  TYR  17           HB3      TYR  17   5.713   0.540  -0.897
  137    HD1  TYR  17           HD1      TYR  17   6.907  -1.314   0.406
  138    HD2  TYR  17           HD2      TYR  17   4.568  -2.050  -3.147
  139    HE1  TYR  17           HE1      TYR  17   8.163  -3.426   0.003
  140    HE2  TYR  17           HE2      TYR  17   5.785  -4.188  -3.509
  141    HH   TYR  17           HH       TYR  17   8.516  -5.167  -1.417
  142    H    TYR  18           H        TYR  18   2.530  -0.642  -2.288
  143    HA   TYR  18           HA       TYR  18   0.876  -2.835  -1.133
  144    HB2  TYR  18           HB2      TYR  18   0.133  -0.742  -3.199
  145    HB3  TYR  18           HB3      TYR  18  -0.864  -2.118  -2.710
  146    HD1  TYR  18           HD1      TYR  18   0.557   1.120  -1.595
  147    HD2  TYR  18           HD2      TYR  18  -1.977  -2.218  -0.569
  148    HE1  TYR  18           HE1      TYR  18  -0.261   2.366   0.379
  149    HE2  TYR  18           HE2      TYR  18  -2.883  -0.934   1.344
  150    HH   TYR  18           HH       TYR  18  -1.663   2.327   2.200
  151    H    PHE  19           H        PHE  19   0.537  -4.663  -2.208
  152    HA   PHE  19           HA       PHE  19   1.938  -5.112  -4.784
  153    HB2  PHE  19           HB2      PHE  19   3.467  -5.909  -3.241
  154    HB3  PHE  19           HB3      PHE  19   2.201  -6.610  -2.221
  155    HD1  PHE  19           HD1      PHE  19   3.958  -7.037  -5.477
  156    HD2  PHE  19           HD2      PHE  19   1.529  -8.888  -2.434
  157    HE1  PHE  19           HE1      PHE  19   4.371  -9.253  -6.502
  158    HE2  PHE  19           HE2      PHE  19   2.006 -11.111  -3.418
  159    HZ   PHE  19           HZ       PHE  19   3.403 -11.302  -5.468
  160    H    ASN  20           H        ASN  20   0.905  -6.173  -6.353
  161    HA   ASN  20           HA       ASN  20  -1.826  -7.182  -5.723
  162    HB2  ASN  20           HB2      ASN  20  -1.461  -5.528  -7.563
  163    HB3  ASN  20           HB3      ASN  20  -0.506  -6.758  -8.421
  164   HD21  ASN  20          HD21      ASN  20  -3.297  -5.388  -8.819
  165   HD22  ASN  20          HD22      ASN  20  -4.308  -6.781  -9.204
  166    H    HIS  21           H        HIS  21  -1.665  -9.237  -4.890
  167    HA   HIS  21           HA       HIS  21   0.511 -10.987  -5.690
  168    HB2  HIS  21           HB2      HIS  21  -0.034 -12.318  -3.951
  169    HB3  HIS  21           HB3      HIS  21  -0.703 -10.790  -3.380
  170    HD2  HIS  21           HD2      HIS  21  -3.524 -10.571  -4.043
  171    HE1  HIS  21           HE1      HIS  21  -4.176 -14.754  -3.547
  172    HE2  HIS  21           HE2      HIS  21  -5.314 -12.481  -3.683
  173    H    ILE  22           H        ILE  22  -2.497 -10.407  -7.178
  174    HA   ILE  22           HA       ILE  22  -2.791 -13.045  -8.396
  175    HB   ILE  22           HB       ILE  22  -4.037 -10.389  -9.197
  176   HG12  ILE  22          HG12      ILE  22  -4.612 -10.797  -6.867
  177   HG13  ILE  22          HG13      ILE  22  -6.015 -10.958  -7.926
  178   HG21  ILE  22          HG21      ILE  22  -4.252 -11.984 -10.963
  179   HG22  ILE  22          HG22      ILE  22  -4.794 -13.252  -9.843
  180   HG23  ILE  22          HG23      ILE  22  -5.822 -11.834 -10.168
  181   HD11  ILE  22          HD11      ILE  22  -5.884 -13.426  -7.750
  182   HD12  ILE  22          HD12      ILE  22  -4.449 -13.275  -6.706
  183   HD13  ILE  22          HD13      ILE  22  -6.020 -12.654  -6.163
  184    H    THR  23           H        THR  23  -1.510  -9.849  -9.289
  185    HA   THR  23           HA       THR  23  -0.630 -10.846 -11.947
  186    HB   THR  23           HB       THR  23  -0.914  -8.700 -12.824
  187    HG1  THR  23           HG1      THR  23  -1.697  -7.068 -11.219
  188   HG21  THR  23          HG21      THR  23  -3.232  -8.912 -10.861
  189   HG22  THR  23          HG22      THR  23  -3.207  -8.123 -12.449
  190   HG23  THR  23          HG23      THR  23  -3.090  -9.888 -12.342
  191    H    ASN  24           H        ASN  24   0.784  -9.996  -9.051
  192    HA   ASN  24           HA       ASN  24   2.781  -9.489  -8.295
  193    HB2  ASN  24           HB2      ASN  24   3.891 -10.309 -10.997
  194    HB3  ASN  24           HB3      ASN  24   4.835 -10.036  -9.527
  195   HD21  ASN  24          HD21      ASN  24   3.519 -12.470 -11.340
  196   HD22  ASN  24          HD22      ASN  24   3.370 -13.669 -10.050
  197    H    ALA  25           H        ALA  25   1.144  -7.414  -9.936
  198    HA   ALA  25           HA       ALA  25   3.071  -5.320 -10.495
  199    HB1  ALA  25           HB1      ALA  25   0.118  -5.072  -9.787
  200    HB2  ALA  25           HB2      ALA  25   1.131  -3.860 -10.581
  201    HB3  ALA  25           HB3      ALA  25   0.757  -5.376 -11.422
  202    H    SER  26           H        SER  26   3.082  -3.223  -9.228
  203    HA   SER  26           HA       SER  26   2.532  -3.361  -6.367
  204    HB2  SER  26           HB2      SER  26   5.392  -3.249  -7.383
  205    HB3  SER  26           HB3      SER  26   4.918  -2.697  -5.764
  206    HG   SER  26           HG       SER  26   4.015  -5.190  -6.611
  207    H    GLN  27           H        GLN  27   2.567  -1.380  -5.291
  208    HA   GLN  27           HA       GLN  27   3.201   1.089  -6.781
  209    HB2  GLN  27           HB2      GLN  27   0.774   0.228  -7.321
  210    HB3  GLN  27           HB3      GLN  27   0.387   0.740  -5.669
  211    HG2  GLN  27           HG2      GLN  27   1.115   3.017  -6.204
  212    HG3  GLN  27           HG3      GLN  27   1.575   2.500  -7.836
  213   HE21  GLN  27          HE21      GLN  27  -1.295   2.580  -5.625
  214   HE22  GLN  27          HE22      GLN  27  -2.458   2.753  -6.954
  215    H    PHE  28           H        PHE  28   3.889   2.692  -5.383
  216    HA   PHE  28           HA       PHE  28   3.784   2.270  -2.497
  217    HB2  PHE  28           HB2      PHE  28   5.745   3.264  -3.070
  218    HB3  PHE  28           HB3      PHE  28   5.001   4.320  -4.279
  219    HD1  PHE  28           HD1      PHE  28   5.767   3.952  -0.674
  220    HD2  PHE  28           HD2      PHE  28   3.871   6.394  -3.686
  221    HE1  PHE  28           HE1      PHE  28   5.619   5.839   0.937
  222    HE2  PHE  28           HE2      PHE  28   3.687   8.258  -2.072
  223    HZ   PHE  28           HZ       PHE  28   4.578   7.992   0.248
  224    H    GLU  29           H        GLU  29   2.018   4.315  -4.697
  225    HA   GLU  29           HA       GLU  29   0.385   5.675  -2.766
  226    HB2  GLU  29           HB2      GLU  29   0.784   6.467  -5.024
  227    HB3  GLU  29           HB3      GLU  29   0.008   5.012  -5.709
  228    HG2  GLU  29           HG2      GLU  29  -2.156   5.687  -4.784
  229    HG3  GLU  29           HG3      GLU  29  -1.412   7.053  -3.943
  230    H    ARG  30           H        ARG  30  -1.571   5.175  -1.876
  231    HA   ARG  30           HA       ARG  30  -2.290   2.460  -1.537
  232    HB2  ARG  30           HB2      ARG  30  -2.608   4.061   0.171
  233    HB3  ARG  30           HB3      ARG  30  -3.702   5.037  -0.799
  234    HG2  ARG  30           HG2      ARG  30  -4.391   2.153  -0.142
  235    HG3  ARG  30           HG3      ARG  30  -4.610   3.421   1.073
  236    HD2  ARG  30           HD2      ARG  30  -6.454   4.257   0.111
  237    HD3  ARG  30           HD3      ARG  30  -5.749   4.257  -1.489
  238    HE   ARG  30           HE       ARG  30  -6.477   2.041  -1.902
  239   HH11  ARG  30          HH11      ARG  30  -9.108   2.023   1.076
  240   HH12  ARG  30          HH12      ARG  30  -7.741   3.104   1.219
  241   HH21  ARG  30          HH21      ARG  30  -8.207   0.842  -2.007
  242   HH22  ARG  30          HH22      ARG  30  -9.294   0.661  -0.622
  243    HA   PRO  31           HA       PRO  31  -4.348   1.921  -5.391
  244    HB2  PRO  31           HB2      PRO  31  -5.192  -0.681  -5.173
  245    HB3  PRO  31           HB3      PRO  31  -3.479  -0.181  -5.332
  246    HG2  PRO  31           HG2      PRO  31  -4.961  -0.833  -2.761
  247    HG3  PRO  31           HG3      PRO  31  -3.379  -1.466  -3.326
  248    HD2  PRO  31           HD2      PRO  31  -3.551   0.615  -1.616
  249    HD3  PRO  31           HD3      PRO  31  -2.322   0.598  -2.920
  250    H    SER  32           H        SER  32  -6.252   2.521  -6.212
  251    HA   SER  32           HA       SER  32  -8.750   2.345  -4.602
  252    HB2  SER  32           HB2      SER  32  -8.106   3.720  -7.234
  253    HB3  SER  32           HB3      SER  32  -9.704   3.704  -6.467
  254    HG   SER  32           HG       SER  32  -7.310   4.692  -5.291
  255    H    GLY  33           H        GLY  33  -7.223   0.608  -7.186
  256    HA2  GLY  33           HA2      GLY  33  -8.886  -1.599  -7.298
  257    HA3  GLY  33           HA3      GLY  33  -9.615  -0.480  -8.451
  258    H1B  XYP 101           H1       XYP  34  12.537   2.172   1.684
  259    H2B  XYP 101           H2       XYP  34  15.156   2.929   0.276
  260    H3B  XYP 101           H3       XYP  34  12.329   4.024  -0.150
  261    H4B  XYP 101           H4       XYP  34  13.995   2.260  -2.015
  262   H5B1  XYP 101          H5E       XYP  34  12.350   0.483  -1.565
  263   H5B2  XYP 101          H5A       XYP  34  11.463   1.541  -0.448
  264   HO2B  XYP 101          H2O       XYP  34  14.685   3.849   2.411
  265   HO3B  XYP 101          H3O       XYP  34  14.163   5.453  -0.550
  266   HO4B  XYP 101          H4O       XYP  34  12.485   3.862  -2.880
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1 -12.653  -2.146   3.619
    2    H2   LYS   1           H2       LYS   1 -11.637  -3.212   2.909
    3    H3   LYS   1           H3       LYS   1 -12.681  -2.336   1.997
    4    HA   LYS   1           HA       LYS   1 -11.605  -0.285   2.563
    5    HB2  LYS   1           HB2      LYS   1 -10.814  -0.932   4.796
    6    HB3  LYS   1           HB3      LYS   1  -9.637  -2.037   4.084
    7    HG2  LYS   1           HG2      LYS   1  -8.553  -0.032   2.935
    8    HG3  LYS   1           HG3      LYS   1  -9.725   0.999   3.764
    9    HD2  LYS   1           HD2      LYS   1  -7.693   1.099   5.001
   10    HD3  LYS   1           HD3      LYS   1  -8.816   0.126   5.963
   11    HE2  LYS   1           HE2      LYS   1  -7.728  -1.953   5.078
   12    HE3  LYS   1           HE3      LYS   1  -6.616  -0.956   4.125
   13    HZ1  LYS   1           HZ1      LYS   1  -6.815  -0.945   7.093
   14    HZ2  LYS   1           HZ2      LYS   1  -5.622  -1.650   6.232
   15    HZ3  LYS   1           HZ3      LYS   1  -5.785  -0.023   6.222
   16    H    LEU   2           H        LEU   2  -9.247  -2.980   2.116
   17    HA   LEU   2           HA       LEU   2  -8.088  -1.619  -0.157
   18    HB2  LEU   2           HB2      LEU   2  -6.944  -2.915   1.761
   19    HB3  LEU   2           HB3      LEU   2  -7.480  -4.387   0.936
   20    HG   LEU   2           HG       LEU   2  -6.171  -3.580  -1.102
   21   HD11  LEU   2          HD11      LEU   2  -5.968  -1.165  -0.490
   22   HD12  LEU   2          HD12      LEU   2  -5.036  -1.618   0.956
   23   HD13  LEU   2          HD13      LEU   2  -4.386  -1.922  -0.675
   24   HD21  LEU   2          HD21      LEU   2  -4.636  -4.003   1.497
   25   HD22  LEU   2          HD22      LEU   2  -5.299  -5.279   0.454
   26   HD23  LEU   2          HD23      LEU   2  -3.992  -4.239  -0.147
   27    HA   PRO   3           HA       PRO   3 -10.681  -3.673  -3.112
   28    HB2  PRO   3           HB2      PRO   3  -9.338  -3.227  -5.494
   29    HB3  PRO   3           HB3      PRO   3 -10.279  -1.997  -4.599
   30    HG2  PRO   3           HG2      PRO   3  -7.303  -2.445  -4.579
   31    HG3  PRO   3           HG3      PRO   3  -8.196  -0.905  -4.655
   32    HD2  PRO   3           HD2      PRO   3  -7.112  -1.908  -2.351
   33    HD3  PRO   3           HD3      PRO   3  -8.612  -0.935  -2.369
   34    HA   PRO   4           HA       PRO   4  -9.591  -7.836  -3.807
   35    HB2  PRO   4           HB2      PRO   4 -10.435  -7.544  -6.696
   36    HB3  PRO   4           HB3      PRO   4 -10.864  -8.828  -5.517
   37    HG2  PRO   4           HG2      PRO   4 -12.616  -6.835  -6.022
   38    HG3  PRO   4           HG3      PRO   4 -12.318  -7.337  -4.323
   39    HD2  PRO   4           HD2      PRO   4 -11.150  -4.975  -5.821
   40    HD3  PRO   4           HD3      PRO   4 -11.844  -5.048  -4.171
   41    H    GLY   5           H        GLY   5  -7.892  -9.118  -4.304
   42    HA2  GLY   5           HA2      GLY   5  -5.989  -9.932  -5.306
   43    HA3  GLY   5           HA3      GLY   5  -6.104  -8.682  -6.559
   44    H    TRP   6           H        TRP   6  -6.135  -6.626  -4.142
   45    HA   TRP   6           HA       TRP   6  -3.215  -6.337  -4.017
   46    HB2  TRP   6           HB2      TRP   6  -5.456  -4.578  -3.033
   47    HB3  TRP   6           HB3      TRP   6  -3.752  -4.225  -2.799
   48    HD1  TRP   6           HD1      TRP   6  -6.446  -4.257  -5.436
   49    HE1  TRP   6           HE1      TRP   6  -5.656  -3.041  -7.556
   50    HE3  TRP   6           HE3      TRP   6  -1.492  -3.801  -4.266
   51    HZ2  TRP   6           HZ2      TRP   6  -3.111  -2.279  -8.727
   52    HZ3  TRP   6           HZ3      TRP   6   0.118  -2.860  -5.939
   53    HH2  TRP   6           HH2      TRP   6  -0.685  -2.119  -8.161
   54    H    GLU   7           H        GLU   7  -1.944  -6.196  -2.225
   55    HA   GLU   7           HA       GLU   7  -3.013  -6.693   0.489
   56    HB2  GLU   7           HB2      GLU   7  -2.304  -8.907  -0.621
   57    HB3  GLU   7           HB3      GLU   7  -0.671  -8.234  -0.681
   58    HG2  GLU   7           HG2      GLU   7  -0.918  -7.913   1.890
   59    HG3  GLU   7           HG3      GLU   7  -2.347  -8.932   1.762
   60    H    LYS   8           H        LYS   8  -1.677  -5.690   2.100
   61    HA   LYS   8           HA       LYS   8   0.231  -3.670   1.193
   62    HB2  LYS   8           HB2      LYS   8  -0.716  -4.552   3.927
   63    HB3  LYS   8           HB3      LYS   8   0.674  -3.464   3.727
   64    HG2  LYS   8           HG2      LYS   8  -0.636  -1.913   2.393
   65    HG3  LYS   8           HG3      LYS   8  -2.041  -2.994   2.446
   66    HD2  LYS   8           HD2      LYS   8  -2.490  -1.263   3.979
   67    HD3  LYS   8           HD3      LYS   8  -2.054  -2.666   4.977
   68    HE2  LYS   8           HE2      LYS   8   0.280  -1.772   5.173
   69    HE3  LYS   8           HE3      LYS   8  -0.178  -0.390   4.168
   70    HZ1  LYS   8           HZ1      LYS   8  -0.267   0.153   6.535
   71    HZ2  LYS   8           HZ2      LYS   8  -1.764   0.260   5.893
   72    HZ3  LYS   8           HZ3      LYS   8  -1.357  -1.027   6.821
   73    H    ARG   9           H        ARG   9   2.363  -3.558   1.470
   74    HA   ARG   9           HA       ARG   9   3.976  -6.005   2.039
   75    HB2  ARG   9           HB2      ARG   9   3.148  -5.675  -0.457
   76    HB3  ARG   9           HB3      ARG   9   4.313  -4.371  -0.495
   77    HG2  ARG   9           HG2      ARG   9   5.501  -6.089  -1.426
   78    HG3  ARG   9           HG3      ARG   9   6.037  -6.252   0.256
   79    HD2  ARG   9           HD2      ARG   9   3.973  -7.874  -1.278
   80    HD3  ARG   9           HD3      ARG   9   5.585  -8.416  -0.783
   81    HE   ARG   9           HE       ARG   9   4.731  -8.165   1.618
   82   HH11  ARG   9          HH11      ARG   9   2.672  -9.247  -1.003
   83   HH12  ARG   9          HH12      ARG   9   1.529 -10.005   0.088
   84   HH21  ARG   9          HH21      ARG   9   3.207  -9.110   2.942
   85   HH22  ARG   9          HH22      ARG   9   1.806  -9.885   2.244
   86    H    MET  10           H        MET  10   6.388  -5.436   2.125
   87    HA   MET  10           HA       MET  10   6.958  -2.606   2.713
   88    HB2  MET  10           HB2      MET  10   5.809  -3.537   4.757
   89    HB3  MET  10           HB3      MET  10   7.135  -4.708   4.905
   90    HG2  MET  10           HG2      MET  10   8.730  -2.760   5.111
   91    HG3  MET  10           HG3      MET  10   7.330  -1.676   5.030
   92    HE1  MET  10           HE1      MET  10   9.527  -4.043   7.121
   93    HE2  MET  10           HE2      MET  10   8.556  -4.382   8.570
   94    HE3  MET  10           HE3      MET  10   8.097  -5.095   7.011
   95    H    PHE  11           H        PHE  11   9.020  -2.049   2.546
   96    HA   PHE  11           HA       PHE  11  11.027  -3.914   1.619
   97    HB2  PHE  11           HB2      PHE  11  11.045  -0.956   2.199
   98    HB3  PHE  11           HB3      PHE  11  12.497  -1.836   1.718
   99    HD1  PHE  11           HD1      PHE  11  12.498  -3.160  -0.481
  100    HD2  PHE  11           HD2      PHE  11   9.526  -0.192   0.507
  101    HE1  PHE  11           HE1      PHE  11  11.923  -2.928  -2.887
  102    HE2  PHE  11           HE2      PHE  11   8.965   0.045  -1.898
  103    HZ   PHE  11           HZ       PHE  11  10.158  -1.323  -3.599
  104    H    ALA  12           H        ALA  12  13.199  -4.170   2.462
  105    HA   ALA  12           HA       ALA  12  13.263  -5.090   5.146
  106    HB1  ALA  12           HB1      ALA  12  15.548  -4.333   3.269
  107    HB2  ALA  12           HB2      ALA  12  15.677  -5.361   4.711
  108    HB3  ALA  12           HB3      ALA  12  14.716  -5.906   3.325
  109    H    ASN  13           H        ASN  13  13.827  -1.860   3.917
  110    HA   ASN  13           HA       ASN  13  15.089  -0.878   6.382
  111    HB2  ASN  13           HB2      ASN  13  15.158   1.271   5.234
  112    HB3  ASN  13           HB3      ASN  13  15.805  -0.026   4.220
  113   HD21  ASN  13          HD21      ASN  13  15.523   1.406   2.453
  114    H    GLY  14           H        GLY  14  11.929  -1.709   5.784
  115    HA2  GLY  14           HA2      GLY  14  10.148  -1.416   7.245
  116    HA3  GLY  14           HA3      GLY  14  10.935  -0.013   7.986
  117    H    THR  15           H        THR  15  10.654   0.040   4.484
  118    HA   THR  15           HA       THR  15   8.639   2.212   4.638
  119    HB   THR  15           HB       THR  15  10.325   1.159   2.335
  120    HG1  THR  15           HG1      THR  15  11.641   2.117   3.647
  121   HG21  THR  15          HG21      THR  15   8.567   3.630   2.517
  122   HG22  THR  15          HG22      THR  15   9.750   3.290   1.226
  123   HG23  THR  15          HG23      THR  15   8.349   2.233   1.431
  124    H    VAL  16           H        VAL  16   6.534   1.872   4.210
  125    HA   VAL  16           HA       VAL  16   5.640  -0.795   3.311
  126    HB   VAL  16           HB       VAL  16   4.200   1.567   4.569
  127   HG11  VAL  16          HG11      VAL  16   2.307   0.008   4.938
  128   HG12  VAL  16          HG12      VAL  16   2.561   0.352   3.228
  129   HG13  VAL  16          HG13      VAL  16   3.111  -1.200   3.910
  130   HG21  VAL  16          HG21      VAL  16   5.735   0.365   6.110
  131   HG22  VAL  16          HG22      VAL  16   4.042   0.102   6.545
  132   HG23  VAL  16          HG23      VAL  16   4.940  -1.170   5.693
  133    H    TYR  17           H        TYR  17   4.353  -1.191   1.601
  134    HA   TYR  17           HA       TYR  17   3.338   0.888  -0.204
  135    HB2  TYR  17           HB2      TYR  17   4.567   0.138  -2.137
  136    HB3  TYR  17           HB3      TYR  17   5.711   0.618  -0.896
  137    HD1  TYR  17           HD1      TYR  17   4.576  -2.060  -3.074
  138    HD2  TYR  17           HD2      TYR  17   7.009  -1.154   0.372
  139    HE1  TYR  17           HE1      TYR  17   5.854  -4.169  -3.422
  140    HE2  TYR  17           HE2      TYR  17   8.324  -3.230  -0.022
  141    HH   TYR  17           HH       TYR  17   8.690  -4.993  -1.406
  142    H    TYR  18           H        TYR  18   2.616  -0.649  -2.318
  143    HA   TYR  18           HA       TYR  18   0.882  -2.777  -1.165
  144    HB2  TYR  18           HB2      TYR  18   0.198  -0.625  -3.183
  145    HB3  TYR  18           HB3      TYR  18  -0.837  -1.994  -2.757
  146    HD1  TYR  18           HD1      TYR  18   0.558   1.216  -1.582
  147    HD2  TYR  18           HD2      TYR  18  -1.918  -2.168  -0.567
  148    HE1  TYR  18           HE1      TYR  18  -0.255   2.429   0.410
  149    HE2  TYR  18           HE2      TYR  18  -2.808  -0.917   1.381
  150    HH   TYR  18           HH       TYR  18  -1.643   2.359   2.237
  151    H    PHE  19           H        PHE  19   0.462  -4.597  -2.258
  152    HA   PHE  19           HA       PHE  19   1.784  -5.036  -4.874
  153    HB2  PHE  19           HB2      PHE  19   3.395  -5.770  -3.357
  154    HB3  PHE  19           HB3      PHE  19   2.185  -6.560  -2.338
  155    HD1  PHE  19           HD1      PHE  19   1.223  -8.773  -2.906
  156    HD2  PHE  19           HD2      PHE  19   4.243  -6.889  -5.347
  157    HE1  PHE  19           HE1      PHE  19   1.719 -10.947  -3.980
  158    HE2  PHE  19           HE2      PHE  19   4.671  -9.056  -6.485
  159    HZ   PHE  19           HZ       PHE  19   3.418 -11.094  -5.791
  160    H    ASN  20           H        ASN  20   0.802  -6.242  -6.366
  161    HA   ASN  20           HA       ASN  20  -1.929  -7.232  -5.705
  162    HB2  ASN  20           HB2      ASN  20  -1.599  -5.563  -7.528
  163    HB3  ASN  20           HB3      ASN  20  -0.628  -6.757  -8.410
  164   HD21  ASN  20          HD21      ASN  20  -3.442  -5.416  -8.763
  165   HD22  ASN  20          HD22      ASN  20  -4.434  -6.815  -9.183
  166    H    HIS  21           H        HIS  21  -2.002  -9.334  -5.121
  167    HA   HIS  21           HA       HIS  21   0.215 -11.123  -5.789
  168    HB2  HIS  21           HB2      HIS  21  -0.389 -12.325  -4.023
  169    HB3  HIS  21           HB3      HIS  21  -1.288 -10.881  -3.571
  170    HD2  HIS  21           HD2      HIS  21  -4.034 -10.969  -4.241
  171    HE1  HIS  21           HE1      HIS  21  -4.250 -15.225  -4.196
  172    HE2  HIS  21           HE2      HIS  21  -5.615 -13.077  -4.152
  173    H    ILE  22           H        ILE  22  -2.699 -10.404  -7.407
  174    HA   ILE  22           HA       ILE  22  -3.015 -12.999  -8.730
  175    HB   ILE  22           HB       ILE  22  -4.142 -10.279  -9.501
  176   HG12  ILE  22          HG12      ILE  22  -4.831 -10.700  -7.204
  177   HG13  ILE  22          HG13      ILE  22  -6.190 -10.788  -8.324
  178   HG21  ILE  22          HG21      ILE  22  -5.931 -11.634 -10.578
  179   HG22  ILE  22          HG22      ILE  22  -4.334 -11.838 -11.304
  180   HG23  ILE  22          HG23      ILE  22  -4.980 -13.098 -10.231
  181   HD11  ILE  22          HD11      ILE  22  -6.316 -12.516  -6.581
  182   HD12  ILE  22          HD12      ILE  22  -6.184 -13.251  -8.187
  183   HD13  ILE  22          HD13      ILE  22  -4.765 -13.199  -7.113
  184    H    THR  23           H        THR  23  -1.624  -9.807  -9.434
  185    HA   THR  23           HA       THR  23  -0.656 -10.722 -12.089
  186    HB   THR  23           HB       THR  23  -0.834  -8.530 -12.877
  187    HG1  THR  23           HG1      THR  23  -1.612  -6.937 -11.245
  188   HG21  THR  23          HG21      THR  23  -3.233  -8.736 -11.012
  189   HG22  THR  23          HG22      THR  23  -3.120  -7.899 -12.571
  190   HG23  THR  23          HG23      THR  23  -3.068  -9.669 -12.517
  191    H    ASN  24           H        ASN  24   0.671 -10.032  -9.095
  192    HA   ASN  24           HA       ASN  24   2.665  -9.627  -8.249
  193    HB2  ASN  24           HB2      ASN  24   3.843 -10.398 -10.936
  194    HB3  ASN  24           HB3      ASN  24   4.727 -10.245  -9.413
  195   HD21  ASN  24          HD21      ASN  24   3.406 -12.520 -11.407
  196   HD22  ASN  24          HD22      ASN  24   3.124 -13.771 -10.191
  197    H    ALA  25           H        ALA  25   1.195  -7.455  -9.967
  198    HA   ALA  25           HA       ALA  25   3.235  -5.451 -10.429
  199    HB1  ALA  25           HB1      ALA  25   0.243  -5.142  -9.931
  200    HB2  ALA  25           HB2      ALA  25   1.329  -3.921 -10.617
  201    HB3  ALA  25           HB3      ALA  25   1.007  -5.415 -11.515
  202    H    SER  26           H        SER  26   3.445  -3.422  -9.184
  203    HA   SER  26           HA       SER  26   2.530  -3.383  -6.422
  204    HB2  SER  26           HB2      SER  26   4.743  -3.115  -5.397
  205    HB3  SER  26           HB3      SER  26   4.515  -4.723  -6.090
  206    HG   SER  26           HG       SER  26   5.769  -4.120  -7.847
  207    H    GLN  27           H        GLN  27   2.703  -1.395  -5.368
  208    HA   GLN  27           HA       GLN  27   3.777   0.956  -6.750
  209    HB2  GLN  27           HB2      GLN  27   1.684   2.095  -7.056
  210    HB3  GLN  27           HB3      GLN  27   1.601   0.543  -7.894
  211    HG2  GLN  27           HG2      GLN  27   0.247  -0.393  -6.032
  212    HG3  GLN  27           HG3      GLN  27   0.344   1.147  -5.188
  213   HE21  GLN  27          HE21      GLN  27  -1.601   2.170  -5.333
  214   HE22  GLN  27          HE22      GLN  27  -2.574   2.261  -6.816
  215    H    PHE  28           H        PHE  28   3.860   2.837  -5.399
  216    HA   PHE  28           HA       PHE  28   3.732   2.263  -2.536
  217    HB2  PHE  28           HB2      PHE  28   5.670   3.329  -3.068
  218    HB3  PHE  28           HB3      PHE  28   4.878   4.484  -4.147
  219    HD1  PHE  28           HD1      PHE  28   3.727   6.474  -3.317
  220    HD2  PHE  28           HD2      PHE  28   5.700   3.740  -0.618
  221    HE1  PHE  28           HE1      PHE  28   3.587   8.162  -1.505
  222    HE2  PHE  28           HE2      PHE  28   5.572   5.438   1.188
  223    HZ   PHE  28           HZ       PHE  28   4.516   7.650   0.752
  224    H    GLU  29           H        GLU  29   1.802   4.302  -4.654
  225    HA   GLU  29           HA       GLU  29   0.318   5.507  -2.491
  226    HB2  GLU  29           HB2      GLU  29   0.550   6.732  -4.496
  227    HB3  GLU  29           HB3      GLU  29   0.011   5.384  -5.488
  228    HG2  GLU  29           HG2      GLU  29  -1.639   7.100  -5.496
  229    HG3  GLU  29           HG3      GLU  29  -2.287   5.653  -4.747
  230    H    ARG  30           H        ARG  30  -1.769   5.160  -1.785
  231    HA   ARG  30           HA       ARG  30  -2.448   2.439  -1.407
  232    HB2  ARG  30           HB2      ARG  30  -2.768   3.972   0.285
  233    HB3  ARG  30           HB3      ARG  30  -3.841   4.997  -0.662
  234    HG2  ARG  30           HG2      ARG  30  -4.613   2.116  -0.105
  235    HG3  ARG  30           HG3      ARG  30  -4.768   3.325   1.180
  236    HD2  ARG  30           HD2      ARG  30  -6.593   4.285   0.288
  237    HD3  ARG  30           HD3      ARG  30  -5.904   4.333  -1.324
  238    HE   ARG  30           HE       ARG  30  -6.762   2.218  -1.852
  239   HH11  ARG  30          HH11      ARG  30  -7.827   3.022   1.408
  240   HH12  ARG  30          HH12      ARG  30  -9.240   2.007   1.239
  241   HH21  ARG  30          HH21      ARG  30  -9.520   0.763  -0.572
  242   HH22  ARG  30          HH22      ARG  30  -8.489   1.054  -1.975
  243    HA   PRO  31           HA       PRO  31  -4.397   1.644  -5.253
  244    HB2  PRO  31           HB2      PRO  31  -5.692  -0.710  -3.901
  245    HB3  PRO  31           HB3      PRO  31  -4.742  -0.654  -5.418
  246    HG2  PRO  31           HG2      PRO  31  -3.685  -1.557  -3.071
  247    HG3  PRO  31           HG3      PRO  31  -2.704  -0.553  -4.200
  248    HD2  PRO  31           HD2      PRO  31  -4.137   0.259  -1.667
  249    HD3  PRO  31           HD3      PRO  31  -2.527   0.718  -2.304
  250    H    SER  32           H        SER  32  -6.121   2.449  -6.286
  251    HA   SER  32           HA       SER  32  -8.745   2.768  -4.917
  252    HB2  SER  32           HB2      SER  32  -7.701   3.751  -7.595
  253    HB3  SER  32           HB3      SER  32  -9.349   4.014  -6.998
  254    HG   SER  32           HG       SER  32  -6.969   4.812  -5.658
  255    H    GLY  33           H        GLY  33  -7.251   0.606  -7.197
  256    HA2  GLY  33           HA2      GLY  33  -9.122  -1.414  -7.236
  257    HA3  GLY  33           HA3      GLY  33  -9.685  -0.337  -8.514
  258    H1B  XYP 101           H1       XYP  34  12.803   2.258   1.748
  259    H2B  XYP 101           H2       XYP  34  15.493   2.713   0.336
  260    H3B  XYP 101           H3       XYP  34  12.768   4.000  -0.194
  261    H4B  XYP 101           H4       XYP  34  14.331   2.019  -1.925
  262   H5B1  XYP 101          H5E       XYP  34  12.557   0.395  -1.415
  263   H5B2  XYP 101          H5A       XYP  34  11.719   1.576  -0.387
  264   HO2B  XYP 101          H2O       XYP  34  15.041   4.903   1.087
  265   HO3B  XYP 101          H3O       XYP  34  13.982   4.760  -2.081
  266   HO4B  XYP 101          H4O       XYP  34  12.429   2.183  -3.220
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -12.424  -2.216   2.597
    2    H2   LYS   1           H2       LYS   1 -12.213  -1.882   4.182
    3    H3   LYS   1           H3       LYS   1 -11.291  -3.024   3.462
    4    HA   LYS   1           HA       LYS   1 -11.277  -0.143   2.850
    5    HB2  LYS   1           HB2      LYS   1 -10.243  -0.466   4.994
    6    HB3  LYS   1           HB3      LYS   1  -9.247  -1.797   4.392
    7    HG2  LYS   1           HG2      LYS   1  -8.020  -0.240   2.903
    8    HG3  LYS   1           HG3      LYS   1  -9.052   1.099   3.440
    9    HD2  LYS   1           HD2      LYS   1  -8.160   0.943   5.696
   10    HD3  LYS   1           HD3      LYS   1  -7.272  -0.547   5.295
   11    HE2  LYS   1           HE2      LYS   1  -5.899   0.647   3.652
   12    HE3  LYS   1           HE3      LYS   1  -6.824   2.136   3.915
   13    HZ1  LYS   1           HZ1      LYS   1  -6.033   2.166   6.211
   14    HZ2  LYS   1           HZ2      LYS   1  -5.179   0.791   5.991
   15    HZ3  LYS   1           HZ3      LYS   1  -4.760   2.158   5.192
   16    H    LEU   2           H        LEU   2  -8.990  -2.898   2.377
   17    HA   LEU   2           HA       LEU   2  -7.969  -1.606   0.045
   18    HB2  LEU   2           HB2      LEU   2  -6.745  -2.909   1.847
   19    HB3  LEU   2           HB3      LEU   2  -7.347  -4.388   1.079
   20    HG   LEU   2           HG       LEU   2  -6.118  -3.643  -1.019
   21   HD11  LEU   2          HD11      LEU   2  -4.306  -1.958  -0.681
   22   HD12  LEU   2          HD12      LEU   2  -5.897  -1.217  -0.536
   23   HD13  LEU   2          HD13      LEU   2  -4.963  -1.580   0.932
   24   HD21  LEU   2          HD21      LEU   2  -5.159  -5.288   0.536
   25   HD22  LEU   2          HD22      LEU   2  -3.892  -4.253  -0.148
   26   HD23  LEU   2          HD23      LEU   2  -4.463  -3.978   1.515
   27    HA   PRO   3           HA       PRO   3 -10.579  -3.557  -2.952
   28    HB2  PRO   3           HB2      PRO   3  -8.407  -3.400  -4.988
   29    HB3  PRO   3           HB3      PRO   3 -10.041  -2.674  -5.013
   30    HG2  PRO   3           HG2      PRO   3  -7.809  -1.172  -4.579
   31    HG3  PRO   3           HG3      PRO   3  -9.347  -0.836  -3.720
   32    HD2  PRO   3           HD2      PRO   3  -6.933  -2.373  -2.685
   33    HD3  PRO   3           HD3      PRO   3  -7.898  -1.095  -1.902
   34    HA   PRO   4           HA       PRO   4  -9.623  -7.916  -3.468
   35    HB2  PRO   4           HB2      PRO   4 -10.674  -7.614  -6.284
   36    HB3  PRO   4           HB3      PRO   4 -11.055  -8.871  -5.063
   37    HG2  PRO   4           HG2      PRO   4 -12.792  -6.842  -5.501
   38    HG3  PRO   4           HG3      PRO   4 -12.419  -7.343  -3.817
   39    HD2  PRO   4           HD2      PRO   4 -11.265  -5.017  -5.385
   40    HD3  PRO   4           HD3      PRO   4 -11.890  -5.058  -3.705
   41    H    GLY   5           H        GLY   5  -7.918  -9.155  -4.149
   42    HA2  GLY   5           HA2      GLY   5  -6.062  -9.854  -5.279
   43    HA3  GLY   5           HA3      GLY   5  -6.378  -8.652  -6.546
   44    H    TRP   6           H        TRP   6  -6.210  -6.698  -3.924
   45    HA   TRP   6           HA       TRP   6  -3.267  -6.335  -4.082
   46    HB2  TRP   6           HB2      TRP   6  -5.437  -4.530  -3.037
   47    HB3  TRP   6           HB3      TRP   6  -3.719  -4.224  -2.821
   48    HD1  TRP   6           HD1      TRP   6  -6.425  -4.269  -5.451
   49    HE1  TRP   6           HE1      TRP   6  -5.634  -3.140  -7.620
   50    HE3  TRP   6           HE3      TRP   6  -1.467  -3.769  -4.301
   51    HZ2  TRP   6           HZ2      TRP   6  -3.100  -2.435  -8.816
   52    HZ3  TRP   6           HZ3      TRP   6   0.132  -2.862  -6.005
   53    HH2  TRP   6           HH2      TRP   6  -0.678  -2.198  -8.245
   54    H    GLU   7           H        GLU   7  -1.914  -6.217  -2.300
   55    HA   GLU   7           HA       GLU   7  -2.978  -6.742   0.408
   56    HB2  GLU   7           HB2      GLU   7  -2.312  -8.951  -0.714
   57    HB3  GLU   7           HB3      GLU   7  -0.656  -8.332  -0.756
   58    HG2  GLU   7           HG2      GLU   7  -0.725  -8.120   1.746
   59    HG3  GLU   7           HG3      GLU   7  -2.379  -8.739   1.735
   60    H    LYS   8           H        LYS   8  -1.647  -5.820   2.053
   61    HA   LYS   8           HA       LYS   8   0.242  -3.758   1.205
   62    HB2  LYS   8           HB2      LYS   8  -0.739  -4.698   3.907
   63    HB3  LYS   8           HB3      LYS   8   0.647  -3.598   3.754
   64    HG2  LYS   8           HG2      LYS   8  -0.658  -2.024   2.429
   65    HG3  LYS   8           HG3      LYS   8  -2.057  -3.115   2.456
   66    HD2  LYS   8           HD2      LYS   8  -2.516  -1.427   4.047
   67    HD3  LYS   8           HD3      LYS   8  -2.056  -2.852   5.001
   68    HE2  LYS   8           HE2      LYS   8   0.300  -1.932   5.131
   69    HE3  LYS   8           HE3      LYS   8  -0.252  -0.496   4.258
   70    HZ1  LYS   8           HZ1      LYS   8  -1.766  -0.038   6.113
   71    HZ2  LYS   8           HZ2      LYS   8  -1.271  -1.380   6.909
   72    HZ3  LYS   8           HZ3      LYS   8  -0.234  -0.143   6.666
   73    H    ARG   9           H        ARG   9   2.362  -3.607   1.478
   74    HA   ARG   9           HA       ARG   9   4.005  -5.999   2.153
   75    HB2  ARG   9           HB2      ARG   9   3.197  -5.935  -0.323
   76    HB3  ARG   9           HB3      ARG   9   4.208  -4.513  -0.504
   77    HG2  ARG   9           HG2      ARG   9   5.382  -6.409  -1.370
   78    HG3  ARG   9           HG3      ARG   9   6.196  -5.919   0.125
   79    HD2  ARG   9           HD2      ARG   9   6.150  -8.247   0.220
   80    HD3  ARG   9           HD3      ARG   9   4.837  -7.778   1.302
   81    HE   ARG   9           HE       ARG   9   4.635  -8.977  -1.430
   82   HH11  ARG   9          HH11      ARG   9   2.984 -10.463  -1.739
   83   HH12  ARG   9          HH12      ARG   9   1.674 -10.498  -0.554
   84   HH21  ARG   9          HH21      ARG   9   2.684  -8.036   1.412
   85   HH22  ARG   9          HH22      ARG   9   1.578  -9.346   1.036
   86    H    MET  10           H        MET  10   6.395  -5.437   2.218
   87    HA   MET  10           HA       MET  10   6.959  -2.589   2.722
   88    HB2  MET  10           HB2      MET  10   5.779  -3.462   4.771
   89    HB3  MET  10           HB3      MET  10   7.094  -4.637   4.968
   90    HG2  MET  10           HG2      MET  10   8.698  -2.696   5.157
   91    HG3  MET  10           HG3      MET  10   7.308  -1.605   5.028
   92    HE1  MET  10           HE1      MET  10   9.448  -3.941   7.215
   93    HE2  MET  10           HE2      MET  10   8.445  -4.241   8.650
   94    HE3  MET  10           HE3      MET  10   8.013  -4.983   7.096
   95    H    PHE  11           H        PHE  11   9.024  -2.041   2.562
   96    HA   PHE  11           HA       PHE  11  11.040  -3.935   1.714
   97    HB2  PHE  11           HB2      PHE  11  11.061  -0.964   2.224
   98    HB3  PHE  11           HB3      PHE  11  12.514  -1.862   1.782
   99    HD1  PHE  11           HD1      PHE  11  12.558  -3.216  -0.387
  100    HD2  PHE  11           HD2      PHE  11   9.542  -0.262   0.500
  101    HE1  PHE  11           HE1      PHE  11  12.011  -3.044  -2.804
  102    HE2  PHE  11           HE2      PHE  11   9.008  -0.083  -1.917
  103    HZ   PHE  11           HZ       PHE  11  10.237  -1.475  -3.572
  104    H    ALA  12           H        ALA  12  13.199  -4.176   2.599
  105    HA   ALA  12           HA       ALA  12  13.212  -5.045   5.298
  106    HB1  ALA  12           HB1      ALA  12  15.632  -5.332   4.913
  107    HB2  ALA  12           HB2      ALA  12  14.695  -5.899   3.519
  108    HB3  ALA  12           HB3      ALA  12  15.534  -4.330   3.450
  109    H    ASN  13           H        ASN  13  13.807  -1.840   4.024
  110    HA   ASN  13           HA       ASN  13  15.030  -0.815   6.492
  111    HB2  ASN  13           HB2      ASN  13  15.119   1.313   5.304
  112    HB3  ASN  13           HB3      ASN  13  15.786  -0.004   4.330
  113   HD21  ASN  13          HD21      ASN  13  15.534   1.395   2.528
  114    H    GLY  14           H        GLY  14  11.878  -1.649   5.852
  115    HA2  GLY  14           HA2      GLY  14  10.073  -1.328   7.279
  116    HA3  GLY  14           HA3      GLY  14  10.849   0.090   8.003
  117    H    THR  15           H        THR  15  10.627   0.071   4.497
  118    HA   THR  15           HA       THR  15   8.619   2.252   4.575
  119    HB   THR  15           HB       THR  15  10.336   1.151   2.319
  120    HG1  THR  15           HG1      THR  15  11.639   2.120   3.638
  121   HG21  THR  15          HG21      THR  15   8.595   3.637   2.437
  122   HG22  THR  15          HG22      THR  15   9.795   3.269   1.170
  123   HG23  THR  15          HG23      THR  15   8.383   2.225   1.369
  124    H    VAL  16           H        VAL  16   6.518   1.911   4.126
  125    HA   VAL  16           HA       VAL  16   5.629  -0.771   3.270
  126    HB   VAL  16           HB       VAL  16   4.180   1.619   4.463
  127   HG11  VAL  16          HG11      VAL  16   2.552   0.386   3.128
  128   HG12  VAL  16          HG12      VAL  16   3.089  -1.155   3.841
  129   HG13  VAL  16          HG13      VAL  16   2.278   0.073   4.840
  130   HG21  VAL  16          HG21      VAL  16   5.694   0.441   6.043
  131   HG22  VAL  16          HG22      VAL  16   3.995   0.196   6.464
  132   HG23  VAL  16          HG23      VAL  16   4.894  -1.097   5.649
  133    H    TYR  17           H        TYR  17   4.353  -1.201   1.560
  134    HA   TYR  17           HA       TYR  17   3.348   0.834  -0.296
  135    HB2  TYR  17           HB2      TYR  17   4.591   0.047  -2.202
  136    HB3  TYR  17           HB3      TYR  17   5.730   0.543  -0.963
  137    HD1  TYR  17           HD1      TYR  17   4.594  -2.164  -3.104
  138    HD2  TYR  17           HD2      TYR  17   7.010  -1.219   0.344
  139    HE1  TYR  17           HE1      TYR  17   5.878  -4.275  -3.423
  140    HE2  TYR  17           HE2      TYR  17   8.318  -3.306  -0.011
  141    HH   TYR  17           HH       TYR  17   8.696  -5.083  -1.382
  142    H    TYR  18           H        TYR  18   2.619  -0.732  -2.367
  143    HA   TYR  18           HA       TYR  18   0.910  -2.869  -1.187
  144    HB2  TYR  18           HB2      TYR  18   0.196  -0.735  -3.218
  145    HB3  TYR  18           HB3      TYR  18  -0.832  -2.098  -2.752
  146    HD1  TYR  18           HD1      TYR  18   0.521   1.163  -1.682
  147    HD2  TYR  18           HD2      TYR  18  -1.839  -2.259  -0.521
  148    HE1  TYR  18           HE1      TYR  18  -0.322   2.419   0.281
  149    HE2  TYR  18           HE2      TYR  18  -2.748  -0.975   1.388
  150    HH   TYR  18           HH       TYR  18  -2.758   1.018   2.505
  151    H    PHE  19           H        PHE  19   0.503  -4.697  -2.286
  152    HA   PHE  19           HA       PHE  19   1.820  -5.101  -4.909
  153    HB2  PHE  19           HB2      PHE  19   3.422  -5.858  -3.403
  154    HB3  PHE  19           HB3      PHE  19   2.210  -6.675  -2.406
  155    HD1  PHE  19           HD1      PHE  19   4.292  -6.939  -5.417
  156    HD2  PHE  19           HD2      PHE  19   1.251  -8.855  -3.037
  157    HE1  PHE  19           HE1      PHE  19   4.746  -9.091  -6.573
  158    HE2  PHE  19           HE2      PHE  19   1.763 -11.023  -4.140
  159    HZ   PHE  19           HZ       PHE  19   3.489 -11.139  -5.925
  160    H    ASN  20           H        ASN  20   0.880  -6.285  -6.424
  161    HA   ASN  20           HA       ASN  20  -1.946  -7.014  -5.900
  162    HB2  ASN  20           HB2      ASN  20  -1.224  -5.300  -7.597
  163    HB3  ASN  20           HB3      ASN  20  -0.421  -6.588  -8.502
  164   HD21  ASN  20          HD21      ASN  20  -3.512  -7.568  -7.093
  165   HD22  ASN  20          HD22      ASN  20  -4.404  -7.283  -8.587
  166    H    HIS  21           H        HIS  21  -1.679  -9.134  -4.974
  167    HA   HIS  21           HA       HIS  21   0.247 -10.987  -5.950
  168    HB2  HIS  21           HB2      HIS  21  -0.363 -12.352  -4.249
  169    HB3  HIS  21           HB3      HIS  21  -0.982 -10.820  -3.629
  170    HD2  HIS  21           HD2      HIS  21  -3.810 -10.501  -4.322
  171    HE1  HIS  21           HE1      HIS  21  -4.567 -14.683  -4.028
  172    HE2  HIS  21           HE2      HIS  21  -5.648 -12.381  -4.088
  173    H    ILE  22           H        ILE  22  -2.737 -10.283  -7.362
  174    HA   ILE  22           HA       ILE  22  -3.162 -12.829  -8.731
  175    HB   ILE  22           HB       ILE  22  -4.211 -10.022  -9.277
  176   HG12  ILE  22          HG12      ILE  22  -4.870 -10.670  -7.046
  177   HG13  ILE  22          HG13      ILE  22  -6.258 -10.620  -8.134
  178   HG21  ILE  22          HG21      ILE  22  -5.160 -12.709 -10.328
  179   HG22  ILE  22          HG22      ILE  22  -6.081 -11.191 -10.460
  180   HG23  ILE  22          HG23      ILE  22  -4.515 -11.340 -11.259
  181   HD11  ILE  22          HD11      ILE  22  -6.410 -12.495  -6.583
  182   HD12  ILE  22          HD12      ILE  22  -6.266 -13.100  -8.244
  183   HD13  ILE  22          HD13      ILE  22  -4.860 -13.146  -7.150
  184    H    THR  23           H        THR  23  -1.378  -9.843  -9.334
  185    HA   THR  23           HA       THR  23  -0.706 -10.699 -12.103
  186    HB   THR  23           HB       THR  23  -0.887  -8.562 -12.933
  187    HG1  THR  23           HG1      THR  23  -1.525  -7.023 -10.929
  188   HG21  THR  23          HG21      THR  23  -3.151  -9.482 -12.394
  189   HG22  THR  23          HG22      THR  23  -3.122  -8.593 -10.853
  190   HG23  THR  23          HG23      THR  23  -3.086  -7.712 -12.393
  191    H    ASN  24           H        ASN  24   0.709  -9.970  -9.156
  192    HA   ASN  24           HA       ASN  24   2.723  -9.642  -8.341
  193    HB2  ASN  24           HB2      ASN  24   3.871 -10.435 -11.036
  194    HB3  ASN  24           HB3      ASN  24   4.759 -10.312  -9.512
  195   HD21  ASN  24          HD21      ASN  24   3.422 -12.550 -11.517
  196   HD22  ASN  24          HD22      ASN  24   3.094 -13.798 -10.310
  197    H    ALA  25           H        ALA  25   1.290  -7.440 -10.071
  198    HA   ALA  25           HA       ALA  25   3.380  -5.464 -10.468
  199    HB1  ALA  25           HB1      ALA  25   1.158  -5.382 -11.597
  200    HB2  ALA  25           HB2      ALA  25   0.389  -5.068 -10.023
  201    HB3  ALA  25           HB3      ALA  25   1.527  -3.897 -10.699
  202    H    SER  26           H        SER  26   3.551  -3.441  -9.194
  203    HA   SER  26           HA       SER  26   2.566  -3.429  -6.459
  204    HB2  SER  26           HB2      SER  26   4.751  -3.169  -5.371
  205    HB3  SER  26           HB3      SER  26   4.543  -4.771  -6.083
  206    HG   SER  26           HG       SER  26   5.843  -4.150  -7.802
  207    H    GLN  27           H        GLN  27   2.710  -1.440  -5.389
  208    HA   GLN  27           HA       GLN  27   3.832   0.908  -6.738
  209    HB2  GLN  27           HB2      GLN  27   1.754   2.066  -7.081
  210    HB3  GLN  27           HB3      GLN  27   1.686   0.523  -7.936
  211    HG2  GLN  27           HG2      GLN  27   0.277  -0.424  -6.124
  212    HG3  GLN  27           HG3      GLN  27   0.361   1.104  -5.256
  213   HE21  GLN  27          HE21      GLN  27  -1.529   2.215  -5.467
  214   HE22  GLN  27          HE22      GLN  27  -2.475   2.306  -6.967
  215    H    PHE  28           H        PHE  28   3.903   2.783  -5.397
  216    HA   PHE  28           HA       PHE  28   3.744   2.225  -2.539
  217    HB2  PHE  28           HB2      PHE  28   5.686   3.286  -3.057
  218    HB3  PHE  28           HB3      PHE  28   4.905   4.433  -4.153
  219    HD1  PHE  28           HD1      PHE  28   5.667   3.707  -0.605
  220    HD2  PHE  28           HD2      PHE  28   3.782   6.446  -3.357
  221    HE1  PHE  28           HE1      PHE  28   5.534   5.421   1.186
  222    HE2  PHE  28           HE2      PHE  28   3.637   8.151  -1.562
  223    HZ   PHE  28           HZ       PHE  28   4.519   7.645   0.714
  224    H    GLU  29           H        GLU  29   1.860   4.287  -4.675
  225    HA   GLU  29           HA       GLU  29   0.345   5.518  -2.534
  226    HB2  GLU  29           HB2      GLU  29   0.740   6.627  -4.643
  227    HB3  GLU  29           HB3      GLU  29  -0.120   5.355  -5.533
  228    HG2  GLU  29           HG2      GLU  29  -2.229   5.965  -4.458
  229    HG3  GLU  29           HG3      GLU  29  -1.402   7.128  -3.416
  230    H    ARG  30           H        ARG  30  -1.748   5.110  -1.809
  231    HA   ARG  30           HA       ARG  30  -2.407   2.409  -1.523
  232    HB2  ARG  30           HB2      ARG  30  -2.849   3.882   0.180
  233    HB3  ARG  30           HB3      ARG  30  -3.890   4.918  -0.795
  234    HG2  ARG  30           HG2      ARG  30  -4.652   2.020  -0.330
  235    HG3  ARG  30           HG3      ARG  30  -4.893   3.203   0.964
  236    HD2  ARG  30           HD2      ARG  30  -6.618   4.262  -0.065
  237    HD3  ARG  30           HD3      ARG  30  -5.907   4.126  -1.660
  238    HE   ARG  30           HE       ARG  30  -6.856   2.029  -2.017
  239   HH11  ARG  30          HH11      ARG  30  -9.613   0.713  -0.564
  240   HH12  ARG  30          HH12      ARG  30  -8.646   0.893  -2.022
  241   HH21  ARG  30          HH21      ARG  30  -7.865   3.113   1.175
  242   HH22  ARG  30          HH22      ARG  30  -9.295   2.111   1.113
  243    HA   PRO  31           HA       PRO  31  -4.282   1.524  -5.365
  244    HB2  PRO  31           HB2      PRO  31  -5.590  -0.832  -4.028
  245    HB3  PRO  31           HB3      PRO  31  -4.569  -0.774  -5.497
  246    HG2  PRO  31           HG2      PRO  31  -3.584  -1.630  -3.095
  247    HG3  PRO  31           HG3      PRO  31  -2.589  -0.589  -4.180
  248    HD2  PRO  31           HD2      PRO  31  -4.248   0.190  -1.767
  249    HD3  PRO  31           HD3      PRO  31  -2.576   0.635  -2.225
  250    H    SER  32           H        SER  32  -6.005   2.279  -6.472
  251    HA   SER  32           HA       SER  32  -8.615   2.728  -5.197
  252    HB2  SER  32           HB2      SER  32  -7.647   3.152  -8.048
  253    HB3  SER  32           HB3      SER  32  -9.244   3.615  -7.430
  254    HG   SER  32           HG       SER  32  -7.750   5.349  -7.361
  255    H    GLY  33           H        GLY  33  -7.215   0.318  -7.334
  256    HA2  GLY  33           HA2      GLY  33  -8.865  -1.817  -7.035
  257    HA3  GLY  33           HA3      GLY  33  -9.780  -0.852  -8.195
  258    H1B  XYP 101           H1       XYP  34  12.827   2.226   1.759
  259    H2B  XYP 101           H2       XYP  34  15.535   2.650   0.373
  260    H3B  XYP 101           H3       XYP  34  12.817   3.928  -0.212
  261    H4B  XYP 101           H4       XYP  34  14.395   1.914  -1.890
  262   H5B1  XYP 101          H5E       XYP  34  12.622   0.297  -1.364
  263   H5B2  XYP 101          H5A       XYP  34  11.768   1.495  -0.368
  264   HO2B  XYP 101          H2O       XYP  34  15.078   4.856   1.075
  265   HO3B  XYP 101          H3O       XYP  34  14.049   4.651  -2.101
  266   HO4B  XYP 101          H4O       XYP  34  12.502   2.051  -3.201
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -11.571  -3.333   3.056
    2    H2   LYS   1           H2       LYS   1 -12.621  -2.402   2.209
    3    H3   LYS   1           H3       LYS   1 -12.554  -2.285   3.836
    4    HA   LYS   1           HA       LYS   1 -11.499  -0.395   2.840
    5    HB2  LYS   1           HB2      LYS   1 -10.668  -1.153   5.024
    6    HB3  LYS   1           HB3      LYS   1  -9.529  -2.245   4.235
    7    HG2  LYS   1           HG2      LYS   1  -8.451  -0.191   3.143
    8    HG3  LYS   1           HG3      LYS   1  -9.569   0.804   4.080
    9    HD2  LYS   1           HD2      LYS   1  -7.491   0.792   5.242
   10    HD3  LYS   1           HD3      LYS   1  -8.589  -0.231   6.182
   11    HE2  LYS   1           HE2      LYS   1  -7.568  -2.256   5.098
   12    HE3  LYS   1           HE3      LYS   1  -6.474  -1.203   4.187
   13    HZ1  LYS   1           HZ1      LYS   1  -6.577  -1.420   7.152
   14    HZ2  LYS   1           HZ2      LYS   1  -5.422  -2.070   6.201
   15    HZ3  LYS   1           HZ3      LYS   1  -5.562  -0.444   6.324
   16    H    LEU   2           H        LEU   2  -9.182  -3.100   2.226
   17    HA   LEU   2           HA       LEU   2  -8.083  -1.646  -0.005
   18    HB2  LEU   2           HB2      LEU   2  -6.867  -2.978   1.781
   19    HB3  LEU   2           HB3      LEU   2  -7.437  -4.447   0.969
   20    HG   LEU   2           HG       LEU   2  -6.172  -3.670  -1.082
   21   HD11  LEU   2          HD11      LEU   2  -4.419  -1.934  -0.718
   22   HD12  LEU   2          HD12      LEU   2  -6.028  -1.231  -0.573
   23   HD13  LEU   2          HD13      LEU   2  -5.098  -1.593   0.896
   24   HD21  LEU   2          HD21      LEU   2  -3.955  -4.228  -0.178
   25   HD22  LEU   2          HD22      LEU   2  -4.542  -3.935   1.479
   26   HD23  LEU   2          HD23      LEU   2  -5.204  -5.278   0.523
   27    HA   PRO   3           HA       PRO   3 -10.602  -3.554  -3.108
   28    HB2  PRO   3           HB2      PRO   3  -8.410  -3.341  -5.110
   29    HB3  PRO   3           HB3      PRO   3 -10.035  -2.596  -5.120
   30    HG2  PRO   3           HG2      PRO   3  -7.770  -1.140  -4.615
   31    HG3  PRO   3           HG3      PRO   3  -9.321  -0.799  -3.780
   32    HD2  PRO   3           HD2      PRO   3  -6.956  -2.400  -2.745
   33    HD3  PRO   3           HD3      PRO   3  -7.917  -1.127  -1.949
   34    HA   PRO   4           HA       PRO   4  -9.661  -7.883  -3.702
   35    HB2  PRO   4           HB2      PRO   4 -10.535  -7.536  -6.573
   36    HB3  PRO   4           HB3      PRO   4 -11.006  -8.802  -5.392
   37    HG2  PRO   4           HG2      PRO   4 -12.686  -6.745  -5.909
   38    HG3  PRO   4           HG3      PRO   4 -12.420  -7.269  -4.210
   39    HD2  PRO   4           HD2      PRO   4 -11.144  -4.942  -5.681
   40    HD3  PRO   4           HD3      PRO   4 -11.867  -4.992  -4.040
   41    H    GLY   5           H        GLY   5  -7.940  -9.135  -4.272
   42    HA2  GLY   5           HA2      GLY   5  -6.028  -9.881  -5.284
   43    HA3  GLY   5           HA3      GLY   5  -6.247  -8.688  -6.578
   44    H    TRP   6           H        TRP   6  -6.218  -6.571  -4.172
   45    HA   TRP   6           HA       TRP   6  -3.283  -6.249  -4.132
   46    HB2  TRP   6           HB2      TRP   6  -5.517  -4.470  -3.166
   47    HB3  TRP   6           HB3      TRP   6  -3.814  -4.134  -2.893
   48    HD1  TRP   6           HD1      TRP   6  -6.442  -4.147  -5.585
   49    HE1  TRP   6           HE1      TRP   6  -5.587  -3.001  -7.720
   50    HE3  TRP   6           HE3      TRP   6  -1.510  -3.746  -4.330
   51    HZ2  TRP   6           HZ2      TRP   6  -3.037  -2.209  -8.821
   52    HZ3  TRP   6           HZ3      TRP   6   0.143  -2.844  -5.993
   53    HH2  TRP   6           HH2      TRP   6  -0.616  -2.093  -8.221
   54    H    GLU   7           H        GLU   7  -1.980  -6.222  -2.400
   55    HA   GLU   7           HA       GLU   7  -3.004  -6.697   0.338
   56    HB2  GLU   7           HB2      GLU   7  -0.877  -8.311  -1.134
   57    HB3  GLU   7           HB3      GLU   7  -0.976  -8.265   0.623
   58    HG2  GLU   7           HG2      GLU   7  -3.150  -9.286  -1.257
   59    HG3  GLU   7           HG3      GLU   7  -2.003 -10.273  -0.369
   60    H    LYS   8           H        LYS   8  -1.664  -5.825   1.974
   61    HA   LYS   8           HA       LYS   8   0.178  -3.699   1.127
   62    HB2  LYS   8           HB2      LYS   8  -0.819  -4.612   3.829
   63    HB3  LYS   8           HB3      LYS   8   0.580  -3.527   3.677
   64    HG2  LYS   8           HG2      LYS   8  -0.707  -1.969   2.296
   65    HG3  LYS   8           HG3      LYS   8  -2.119  -3.039   2.371
   66    HD2  LYS   8           HD2      LYS   8  -2.538  -1.288   3.900
   67    HD3  LYS   8           HD3      LYS   8  -2.095  -2.682   4.907
   68    HE2  LYS   8           HE2      LYS   8   0.245  -1.796   5.056
   69    HE3  LYS   8           HE3      LYS   8  -0.221  -0.426   4.037
   70    HZ1  LYS   8           HZ1      LYS   8  -1.777   0.259   5.774
   71    HZ2  LYS   8           HZ2      LYS   8  -1.362  -1.015   6.717
   72    HZ3  LYS   8           HZ3      LYS   8  -0.273   0.156   6.394
   73    H    ARG   9           H        ARG   9   2.309  -3.548   1.443
   74    HA   ARG   9           HA       ARG   9   3.950  -5.973   2.022
   75    HB2  ARG   9           HB2      ARG   9   3.108  -5.434  -0.554
   76    HB3  ARG   9           HB3      ARG   9   4.513  -4.401  -0.478
   77    HG2  ARG   9           HG2      ARG   9   5.342  -6.356  -1.396
   78    HG3  ARG   9           HG3      ARG   9   5.792  -6.557   0.309
   79    HD2  ARG   9           HD2      ARG   9   3.582  -7.900  -1.289
   80    HD3  ARG   9           HD3      ARG   9   4.987  -8.651  -0.523
   81    HE   ARG   9           HE       ARG   9   2.683  -7.419   0.981
   82   HH11  ARG   9          HH11      ARG   9   4.847 -10.183   0.706
   83   HH12  ARG   9          HH12      ARG   9   4.154 -10.927   2.125
   84   HH21  ARG   9          HH21      ARG   9   1.941  -8.348   2.715
   85   HH22  ARG   9          HH22      ARG   9   2.526  -9.916   3.243
   86    H    MET  10           H        MET  10   6.335  -5.423   1.960
   87    HA   MET  10           HA       MET  10   6.957  -2.660   2.780
   88    HB2  MET  10           HB2      MET  10   7.043  -5.017   4.711
   89    HB3  MET  10           HB3      MET  10   7.885  -3.478   4.968
   90    HG2  MET  10           HG2      MET  10   5.675  -2.305   4.832
   91    HG3  MET  10           HG3      MET  10   4.890  -3.895   4.792
   92    HE1  MET  10           HE1      MET  10   6.839  -1.243   6.865
   93    HE2  MET  10           HE2      MET  10   7.072  -2.031   8.439
   94    HE3  MET  10           HE3      MET  10   8.008  -2.573   7.035
   95    H    PHE  11           H        PHE  11   8.996  -2.095   2.669
   96    HA   PHE  11           HA       PHE  11  11.036  -3.878   1.582
   97    HB2  PHE  11           HB2      PHE  11  11.006  -0.944   2.299
   98    HB3  PHE  11           HB3      PHE  11  12.461  -1.786   1.757
   99    HD1  PHE  11           HD1      PHE  11  12.492  -2.944  -0.512
  100    HD2  PHE  11           HD2      PHE  11   9.409  -0.169   0.674
  101    HE1  PHE  11           HE1      PHE  11  11.881  -2.598  -2.896
  102    HE2  PHE  11           HE2      PHE  11   8.813   0.187  -1.711
  103    HZ   PHE  11           HZ       PHE  11  10.044  -1.031  -3.497
  104    H    ALA  12           H        ALA  12  13.176  -4.168   2.463
  105    HA   ALA  12           HA       ALA  12  13.208  -5.120   5.139
  106    HB1  ALA  12           HB1      ALA  12  14.670  -5.932   3.322
  107    HB2  ALA  12           HB2      ALA  12  15.514  -4.363   3.285
  108    HB3  ALA  12           HB3      ALA  12  15.624  -5.406   4.721
  109    H    ASN  13           H        ASN  13  13.782  -1.881   3.946
  110    HA   ASN  13           HA       ASN  13  15.077  -0.931   6.401
  111    HB2  ASN  13           HB2      ASN  13  15.149   1.218   5.289
  112    HB3  ASN  13           HB3      ASN  13  15.721  -0.059   4.207
  113   HD21  ASN  13          HD21      ASN  13  15.388   1.384   2.470
  114    H    GLY  14           H        GLY  14  11.893  -1.737   5.834
  115    HA2  GLY  14           HA2      GLY  14  10.153  -1.480   7.362
  116    HA3  GLY  14           HA3      GLY  14  10.948  -0.078   8.091
  117    H    THR  15           H        THR  15  10.597   0.023   4.607
  118    HA   THR  15           HA       THR  15   8.559   2.172   4.822
  119    HB   THR  15           HB       THR  15  10.257   1.154   2.511
  120    HG1  THR  15           HG1      THR  15  11.529   2.159   3.830
  121   HG21  THR  15          HG21      THR  15   9.649   3.260   1.374
  122   HG22  THR  15          HG22      THR  15   8.277   2.165   1.556
  123   HG23  THR  15          HG23      THR  15   8.430   3.576   2.637
  124    H    VAL  16           H        VAL  16   6.479   1.978   4.125
  125    HA   VAL  16           HA       VAL  16   5.493  -0.688   3.361
  126    HB   VAL  16           HB       VAL  16   3.979   1.823   4.154
  127   HG11  VAL  16          HG11      VAL  16   2.147   0.238   4.698
  128   HG12  VAL  16          HG12      VAL  16   2.529   0.258   2.978
  129   HG13  VAL  16          HG13      VAL  16   3.107  -1.087   3.995
  130   HG21  VAL  16          HG21      VAL  16   4.733  -0.550   5.904
  131   HG22  VAL  16          HG22      VAL  16   5.412   1.089   6.039
  132   HG23  VAL  16          HG23      VAL  16   3.702   0.812   6.370
  133    H    TYR  17           H        TYR  17   4.343  -1.171   1.554
  134    HA   TYR  17           HA       TYR  17   3.431   0.868  -0.336
  135    HB2  TYR  17           HB2      TYR  17   4.669   0.086  -2.234
  136    HB3  TYR  17           HB3      TYR  17   5.817   0.530  -0.983
  137    HD1  TYR  17           HD1      TYR  17   7.031  -1.290   0.311
  138    HD2  TYR  17           HD2      TYR  17   4.640  -2.093  -3.191
  139    HE1  TYR  17           HE1      TYR  17   8.281  -3.412  -0.071
  140    HE2  TYR  17           HE2      TYR  17   5.853  -4.242  -3.528
  141    HH   TYR  17           HH       TYR  17   8.558  -5.226  -1.406
  142    H    TYR  18           H        TYR  18   2.665  -0.625  -2.408
  143    HA   TYR  18           HA       TYR  18   0.900  -2.734  -1.278
  144    HB2  TYR  18           HB2      TYR  18   0.259  -0.561  -3.284
  145    HB3  TYR  18           HB3      TYR  18  -0.788  -1.937  -2.911
  146    HD1  TYR  18           HD1      TYR  18   0.692   1.175  -1.565
  147    HD2  TYR  18           HD2      TYR  18  -1.987  -2.119  -0.810
  148    HE1  TYR  18           HE1      TYR  18  -0.103   2.315   0.478
  149    HE2  TYR  18           HE2      TYR  18  -2.870  -0.933   1.183
  150    HH   TYR  18           HH       TYR  18  -1.542   2.212   2.270
  151    H    PHE  19           H        PHE  19   0.452  -4.545  -2.364
  152    HA   PHE  19           HA       PHE  19   1.816  -5.032  -4.953
  153    HB2  PHE  19           HB2      PHE  19   3.399  -5.728  -3.358
  154    HB3  PHE  19           HB3      PHE  19   2.150  -6.527  -2.386
  155    HD1  PHE  19           HD1      PHE  19   4.028  -6.740  -5.586
  156    HD2  PHE  19           HD2      PHE  19   1.570  -8.824  -2.721
  157    HE1  PHE  19           HE1      PHE  19   4.545  -8.890  -6.711
  158    HE2  PHE  19           HE2      PHE  19   2.137 -10.980  -3.812
  159    HZ   PHE  19           HZ       PHE  19   3.603 -11.020  -5.821
  160    H    ASN  20           H        ASN  20   0.762  -6.151  -6.440
  161    HA   ASN  20           HA       ASN  20  -1.924  -7.210  -5.733
  162    HB2  ASN  20           HB2      ASN  20  -1.647  -5.563  -7.581
  163    HB3  ASN  20           HB3      ASN  20  -0.650  -6.745  -8.455
  164   HD21  ASN  20          HD21      ASN  20  -3.416  -5.487  -8.956
  165   HD22  ASN  20          HD22      ASN  20  -4.411  -6.906  -9.297
  166    H    HIS  21           H        HIS  21  -1.688  -9.257  -4.884
  167    HA   HIS  21           HA       HIS  21   0.491 -10.974  -5.740
  168    HB2  HIS  21           HB2      HIS  21   0.002 -12.332  -3.996
  169    HB3  HIS  21           HB3      HIS  21  -0.633 -10.800  -3.396
  170    HD2  HIS  21           HD2      HIS  21  -3.494 -10.580  -4.050
  171    HE1  HIS  21           HE1      HIS  21  -4.126 -14.745  -3.405
  172    HE2  HIS  21           HE2      HIS  21  -5.271 -12.480  -3.604
  173    H    ILE  22           H        ILE  22  -2.528 -10.442  -7.193
  174    HA   ILE  22           HA       ILE  22  -2.816 -13.098  -8.378
  175    HB   ILE  22           HB       ILE  22  -4.071 -10.462  -9.230
  176   HG12  ILE  22          HG12      ILE  22  -4.646 -10.776  -6.892
  177   HG13  ILE  22          HG13      ILE  22  -6.049 -11.004  -7.936
  178   HG21  ILE  22          HG21      ILE  22  -5.853 -11.933 -10.156
  179   HG22  ILE  22          HG22      ILE  22  -4.282 -12.115 -10.943
  180   HG23  ILE  22          HG23      ILE  22  -4.832 -13.342  -9.781
  181   HD11  ILE  22          HD11      ILE  22  -6.021 -12.627  -6.103
  182   HD12  ILE  22          HD12      ILE  22  -5.882 -13.459  -7.659
  183   HD13  ILE  22          HD13      ILE  22  -4.443 -13.246  -6.630
  184    H    THR  23           H        THR  23  -1.546  -9.907  -9.296
  185    HA   THR  23           HA       THR  23  -0.679 -10.918 -11.952
  186    HB   THR  23           HB       THR  23  -0.950  -8.773 -12.836
  187    HG1  THR  23           HG1      THR  23  -1.724  -7.133 -11.233
  188   HG21  THR  23          HG21      THR  23  -3.263  -8.966 -10.865
  189   HG22  THR  23          HG22      THR  23  -3.240  -8.184 -12.457
  190   HG23  THR  23          HG23      THR  23  -3.131  -9.950 -12.342
  191    H    ASN  24           H        ASN  24   0.736 -10.043  -9.060
  192    HA   ASN  24           HA       ASN  24   2.740  -9.573  -8.301
  193    HB2  ASN  24           HB2      ASN  24   3.862 -10.375 -11.002
  194    HB3  ASN  24           HB3      ASN  24   4.785 -10.156  -9.510
  195   HD21  ASN  24          HD21      ASN  24   3.490 -12.522 -11.407
  196   HD22  ASN  24          HD22      ASN  24   3.280 -13.750 -10.153
  197    H    ALA  25           H        ALA  25   1.144  -7.481 -10.004
  198    HA   ALA  25           HA       ALA  25   3.121  -5.425 -10.551
  199    HB1  ALA  25           HB1      ALA  25   0.858  -5.464 -11.576
  200    HB2  ALA  25           HB2      ALA  25   0.139  -5.173  -9.973
  201    HB3  ALA  25           HB3      ALA  25   1.180  -3.947 -10.715
  202    H    SER  26           H        SER  26   3.331  -3.385  -9.331
  203    HA   SER  26           HA       SER  26   2.519  -3.352  -6.522
  204    HB2  SER  26           HB2      SER  26   4.810  -3.021  -5.643
  205    HB3  SER  26           HB3      SER  26   4.542  -4.638  -6.297
  206    HG   SER  26           HG       SER  26   5.863  -2.491  -7.633
  207    H    GLN  27           H        GLN  27   2.679  -1.359  -5.477
  208    HA   GLN  27           HA       GLN  27   3.724   1.002  -6.861
  209    HB2  GLN  27           HB2      GLN  27   1.637   2.159  -7.103
  210    HB3  GLN  27           HB3      GLN  27   1.509   0.610  -7.943
  211    HG2  GLN  27           HG2      GLN  27   0.201  -0.315  -6.042
  212    HG3  GLN  27           HG3      GLN  27   0.340   1.226  -5.202
  213   HE21  GLN  27          HE21      GLN  27  -1.607   2.260  -5.291
  214   HE22  GLN  27          HE22      GLN  27  -2.616   2.362  -6.747
  215    H    PHE  28           H        PHE  28   3.805   2.892  -5.478
  216    HA   PHE  28           HA       PHE  28   3.785   2.240  -2.621
  217    HB2  PHE  28           HB2      PHE  28   5.713   3.306  -3.191
  218    HB3  PHE  28           HB3      PHE  28   4.896   4.492  -4.215
  219    HD1  PHE  28           HD1      PHE  28   3.811   6.480  -3.304
  220    HD2  PHE  28           HD2      PHE  28   5.801   3.643  -0.730
  221    HE1  PHE  28           HE1      PHE  28   3.750   8.124  -1.447
  222    HE2  PHE  28           HE2      PHE  28   5.752   5.296   1.122
  223    HZ   PHE  28           HZ       PHE  28   4.727   7.538   0.770
  224    H    GLU  29           H        GLU  29   1.807   4.364  -4.613
  225    HA   GLU  29           HA       GLU  29   0.399   5.494  -2.358
  226    HB2  GLU  29           HB2      GLU  29   0.574   6.787  -4.334
  227    HB3  GLU  29           HB3      GLU  29  -0.010   5.475  -5.347
  228    HG2  GLU  29           HG2      GLU  29  -1.649   7.198  -5.237
  229    HG3  GLU  29           HG3      GLU  29  -2.278   5.733  -4.507
  230    H    ARG  30           H        ARG  30  -1.638   5.084  -1.555
  231    HA   ARG  30           HA       ARG  30  -2.384   2.342  -1.388
  232    HB2  ARG  30           HB2      ARG  30  -2.641   3.817   0.446
  233    HB3  ARG  30           HB3      ARG  30  -3.739   4.877  -0.425
  234    HG2  ARG  30           HG2      ARG  30  -4.466   1.963   0.024
  235    HG3  ARG  30           HG3      ARG  30  -4.635   3.133   1.340
  236    HD2  ARG  30           HD2      ARG  30  -6.479   4.083   0.488
  237    HD3  ARG  30           HD3      ARG  30  -5.817   4.180  -1.127
  238    HE   ARG  30           HE       ARG  30  -6.613   2.019  -1.674
  239   HH11  ARG  30          HH11      ARG  30  -8.386   0.893  -1.833
  240   HH12  ARG  30          HH12      ARG  30  -9.451   0.641  -0.446
  241   HH21  ARG  30          HH21      ARG  30  -7.749   2.855   1.559
  242   HH22  ARG  30          HH22      ARG  30  -9.176   1.865   1.357
  243    HA   PRO  31           HA       PRO  31  -4.572   2.127  -5.210
  244    HB2  PRO  31           HB2      PRO  31  -5.515  -0.455  -5.130
  245    HB3  PRO  31           HB3      PRO  31  -3.796  -0.013  -5.341
  246    HG2  PRO  31           HG2      PRO  31  -5.182  -0.794  -2.758
  247    HG3  PRO  31           HG3      PRO  31  -3.640  -1.419  -3.429
  248    HD2  PRO  31           HD2      PRO  31  -3.706   0.535  -1.563
  249    HD3  PRO  31           HD3      PRO  31  -2.512   0.576  -2.899
  250    H    SER  32           H        SER  32  -6.424   3.100  -5.743
  251    HA   SER  32           HA       SER  32  -8.723   3.198  -3.982
  252    HB2  SER  32           HB2      SER  32  -8.308   4.213  -6.820
  253    HB3  SER  32           HB3      SER  32  -9.704   4.590  -5.793
  254    HG   SER  32           HG       SER  32  -8.084   6.203  -5.680
  255    H    GLY  33           H        GLY  33  -7.905   1.025  -6.556
  256    HA2  GLY  33           HA2      GLY  33 -10.272  -0.584  -6.337
  257    HA3  GLY  33           HA3      GLY  33 -10.369   0.437  -7.770
  258    H1B  XYP 101           H1       XYP  34  12.585   2.207   1.886
  259    H2B  XYP 101           H2       XYP  34  15.234   3.046   0.588
  260    H3B  XYP 101           H3       XYP  34  12.403   4.099   0.096
  261    H4B  XYP 101           H4       XYP  34  14.165   2.415  -1.755
  262   H5B1  XYP 101          H5E       XYP  34  12.540   0.597  -1.407
  263   H5B2  XYP 101          H5A       XYP  34  11.596   1.609  -0.295
  264   HO2B  XYP 101          H2O       XYP  34  14.675   3.902   2.729
  265   HO3B  XYP 101          H3O       XYP  34  14.221   5.573  -0.206
  266   HO4B  XYP 101          H4O       XYP  34  12.654   4.010  -2.632
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1 -12.714  -2.118   1.913
    2    H2   LYS   1           H2       LYS   1 -12.659  -1.944   3.535
    3    H3   LYS   1           H3       LYS   1 -11.775  -3.114   2.813
    4    HA   LYS   1           HA       LYS   1 -11.408  -0.210   2.485
    5    HB2  LYS   1           HB2      LYS   1 -10.682  -0.837   4.694
    6    HB3  LYS   1           HB3      LYS   1  -9.739  -2.196   4.071
    7    HG2  LYS   1           HG2      LYS   1  -8.217  -0.622   2.894
    8    HG3  LYS   1           HG3      LYS   1  -9.182   0.748   3.474
    9    HD2  LYS   1           HD2      LYS   1  -8.586   0.237   5.785
   10    HD3  LYS   1           HD3      LYS   1  -7.767  -1.261   5.284
   11    HE2  LYS   1           HE2      LYS   1  -6.144   0.026   3.952
   12    HE3  LYS   1           HE3      LYS   1  -6.972   1.537   4.366
   13    HZ1  LYS   1           HZ1      LYS   1  -5.647  -0.257   6.329
   14    HZ2  LYS   1           HZ2      LYS   1  -5.063   1.182   5.812
   15    HZ3  LYS   1           HZ3      LYS   1  -6.426   1.129   6.704
   16    H    LEU   2           H        LEU   2  -9.328  -3.126   2.019
   17    HA   LEU   2           HA       LEU   2  -8.067  -1.784  -0.217
   18    HB2  LEU   2           HB2      LEU   2  -6.996  -3.070   1.746
   19    HB3  LEU   2           HB3      LEU   2  -7.507  -4.542   0.904
   20    HG   LEU   2           HG       LEU   2  -6.143  -3.712  -1.099
   21   HD11  LEU   2          HD11      LEU   2  -4.348  -2.087  -0.597
   22   HD12  LEU   2          HD12      LEU   2  -5.929  -1.313  -0.460
   23   HD13  LEU   2          HD13      LEU   2  -5.052  -1.780   1.013
   24   HD21  LEU   2          HD21      LEU   2  -4.000  -4.411  -0.083
   25   HD22  LEU   2          HD22      LEU   2  -4.698  -4.189   1.542
   26   HD23  LEU   2          HD23      LEU   2  -5.338  -5.443   0.461
   27    HA   PRO   3           HA       PRO   3 -10.619  -3.818  -3.238
   28    HB2  PRO   3           HB2      PRO   3  -9.191  -3.353  -5.573
   29    HB3  PRO   3           HB3      PRO   3 -10.179  -2.135  -4.708
   30    HG2  PRO   3           HG2      PRO   3  -7.190  -2.581  -4.523
   31    HG3  PRO   3           HG3      PRO   3  -8.073  -1.043  -4.706
   32    HD2  PRO   3           HD2      PRO   3  -7.170  -1.900  -2.308
   33    HD3  PRO   3           HD3      PRO   3  -8.749  -1.068  -2.474
   34    HA   PRO   4           HA       PRO   4  -9.524  -7.969  -3.889
   35    HB2  PRO   4           HB2      PRO   4 -10.218  -7.687  -6.820
   36    HB3  PRO   4           HB3      PRO   4 -10.713  -8.963  -5.659
   37    HG2  PRO   4           HG2      PRO   4 -12.426  -6.964  -6.256
   38    HG3  PRO   4           HG3      PRO   4 -12.213  -7.459  -4.542
   39    HD2  PRO   4           HD2      PRO   4 -10.963  -5.110  -5.991
   40    HD3  PRO   4           HD3      PRO   4 -11.733  -5.172  -4.376
   41    H    GLY   5           H        GLY   5  -7.822  -9.280  -4.294
   42    HA2  GLY   5           HA2      GLY   5  -5.872 -10.116  -5.154
   43    HA3  GLY   5           HA3      GLY   5  -5.922  -8.904  -6.451
   44    H    TRP   6           H        TRP   6  -6.015  -6.726  -4.195
   45    HA   TRP   6           HA       TRP   6  -3.128  -6.407  -4.008
   46    HB2  TRP   6           HB2      TRP   6  -5.421  -4.723  -3.021
   47    HB3  TRP   6           HB3      TRP   6  -3.735  -4.323  -2.744
   48    HD1  TRP   6           HD1      TRP   6  -6.364  -4.364  -5.432
   49    HE1  TRP   6           HE1      TRP   6  -5.544  -3.094  -7.518
   50    HE3  TRP   6           HE3      TRP   6  -1.449  -3.932  -4.168
   51    HZ2  TRP   6           HZ2      TRP   6  -2.980  -2.281  -8.614
   52    HZ3  TRP   6           HZ3      TRP   6   0.193  -2.966  -5.777
   53    HH2  TRP   6           HH2      TRP   6  -0.560  -2.146  -7.997
   54    H    GLU   7           H        GLU   7  -1.815  -6.264  -2.254
   55    HA   GLU   7           HA       GLU   7  -2.829  -6.828   0.474
   56    HB2  GLU   7           HB2      GLU   7  -2.016  -8.975  -0.740
   57    HB3  GLU   7           HB3      GLU   7  -0.419  -8.217  -0.755
   58    HG2  GLU   7           HG2      GLU   7  -0.694  -8.015   1.819
   59    HG3  GLU   7           HG3      GLU   7  -2.104  -9.052   1.644
   60    H    LYS   8           H        LYS   8  -1.602  -5.754   2.071
   61    HA   LYS   8           HA       LYS   8   0.313  -3.707   1.224
   62    HB2  LYS   8           HB2      LYS   8  -0.765  -4.570   3.917
   63    HB3  LYS   8           HB3      LYS   8   0.650  -3.506   3.787
   64    HG2  LYS   8           HG2      LYS   8  -0.584  -1.945   2.363
   65    HG3  LYS   8           HG3      LYS   8  -2.014  -2.994   2.428
   66    HD2  LYS   8           HD2      LYS   8  -2.431  -1.234   3.954
   67    HD3  LYS   8           HD3      LYS   8  -1.999  -2.624   4.969
   68    HE2  LYS   8           HE2      LYS   8   0.367  -1.756   5.071
   69    HE3  LYS   8           HE3      LYS   8  -0.128  -0.362   4.102
   70    HZ1  LYS   8           HZ1      LYS   8  -0.118   0.141   6.484
   71    HZ2  LYS   8           HZ2      LYS   8  -1.635   0.273   5.904
   72    HZ3  LYS   8           HZ3      LYS   8  -1.206  -1.035   6.790
   73    H    ARG   9           H        ARG   9   2.418  -3.594   1.566
   74    HA   ARG   9           HA       ARG   9   4.008  -5.897   2.598
   75    HB2  ARG   9           HB2      ARG   9   4.458  -4.506  -0.070
   76    HB3  ARG   9           HB3      ARG   9   5.595  -5.643   0.658
   77    HG2  ARG   9           HG2      ARG   9   2.819  -6.276  -0.288
   78    HG3  ARG   9           HG3      ARG   9   4.320  -6.667  -1.142
   79    HD2  ARG   9           HD2      ARG   9   5.022  -8.167   0.673
   80    HD3  ARG   9           HD3      ARG   9   3.575  -7.757   1.606
   81    HE   ARG   9           HE       ARG   9   2.247  -9.114   0.277
   82   HH11  ARG   9          HH11      ARG   9   5.432  -9.086  -1.221
   83   HH12  ARG   9          HH12      ARG   9   5.086 -10.560  -2.089
   84   HH21  ARG   9          HH21      ARG   9   1.911 -10.861  -0.756
   85   HH22  ARG   9          HH22      ARG   9   3.116 -11.581  -1.831
   86    H    MET  10           H        MET  10   6.316  -5.321   2.623
   87    HA   MET  10           HA       MET  10   6.982  -2.519   3.084
   88    HB2  MET  10           HB2      MET  10   5.811  -3.235   5.225
   89    HB3  MET  10           HB3      MET  10   7.154  -4.363   5.494
   90    HG2  MET  10           HG2      MET  10   8.718  -2.368   5.427
   91    HG3  MET  10           HG3      MET  10   7.291  -1.333   5.260
   92    HE1  MET  10           HE1      MET  10   8.185  -4.484   7.595
   93    HE2  MET  10           HE2      MET  10   9.592  -3.397   7.554
   94    HE3  MET  10           HE3      MET  10   8.658  -3.591   9.053
   95    H    PHE  11           H        PHE  11   9.073  -2.081   2.844
   96    HA   PHE  11           HA       PHE  11  11.023  -4.115   2.167
   97    HB2  PHE  11           HB2      PHE  11  11.119  -1.114   2.407
   98    HB3  PHE  11           HB3      PHE  11  12.568  -2.074   2.101
   99    HD1  PHE  11           HD1      PHE  11   9.641  -0.570   0.592
  100    HD2  PHE  11           HD2      PHE  11  12.704  -3.557   0.045
  101    HE1  PHE  11           HE1      PHE  11   9.205  -0.570  -1.852
  102    HE2  PHE  11           HE2      PHE  11  12.260  -3.560  -2.399
  103    HZ   PHE  11           HZ       PHE  11  10.513  -2.065  -3.351
  104    H    ALA  12           H        ALA  12  13.141  -4.393   3.119
  105    HA   ALA  12           HA       ALA  12  13.109  -4.897   5.918
  106    HB1  ALA  12           HB1      ALA  12  14.541  -6.065   4.280
  107    HB2  ALA  12           HB2      ALA  12  15.460  -4.567   3.999
  108    HB3  ALA  12           HB3      ALA  12  15.510  -5.361   5.587
  109    H    ASN  13           H        ASN  13  13.817  -1.930   4.224
  110    HA   ASN  13           HA       ASN  13  15.170  -0.626   6.475
  111    HB2  ASN  13           HB2      ASN  13  15.270   1.302   5.006
  112    HB3  ASN  13           HB3      ASN  13  15.778  -0.151   4.135
  113   HD21  ASN  13          HD21      ASN  13  15.397   1.271   2.265
  114    H    GLY  14           H        GLY  14  11.930  -1.393   6.018
  115    HA2  GLY  14           HA2      GLY  14  10.186  -0.821   7.460
  116    HA3  GLY  14           HA3      GLY  14  11.035   0.645   7.970
  117    H    THR  15           H        THR  15  10.763   0.228   4.507
  118    HA   THR  15           HA       THR  15   8.794   2.447   4.330
  119    HB   THR  15           HB       THR  15  10.486   1.028   2.245
  120    HG1  THR  15           HG1      THR  15  11.710   2.156   3.596
  121   HG21  THR  15          HG21      THR  15  10.023   2.905   0.770
  122   HG22  THR  15          HG22      THR  15   8.550   2.018   1.148
  123   HG23  THR  15          HG23      THR  15   8.869   3.576   1.957
  124    H    VAL  16           H        VAL  16   6.687   2.124   3.802
  125    HA   VAL  16           HA       VAL  16   5.733  -0.640   3.329
  126    HB   VAL  16           HB       VAL  16   4.372   1.964   4.108
  127   HG11  VAL  16          HG11      VAL  16   3.080  -0.774   3.778
  128   HG12  VAL  16          HG12      VAL  16   2.334   0.639   4.554
  129   HG13  VAL  16          HG13      VAL  16   2.715   0.692   2.836
  130   HG21  VAL  16          HG21      VAL  16   5.720   0.879   5.892
  131   HG22  VAL  16          HG22      VAL  16   3.992   0.804   6.252
  132   HG23  VAL  16          HG23      VAL  16   4.828  -0.637   5.638
  133    H    TYR  17           H        TYR  17   4.485  -1.272   1.619
  134    HA   TYR  17           HA       TYR  17   3.698   0.576  -0.519
  135    HB2  TYR  17           HB2      TYR  17   4.876  -0.538  -2.297
  136    HB3  TYR  17           HB3      TYR  17   6.030   0.046  -1.113
  137    HD1  TYR  17           HD1      TYR  17   7.249  -1.555   0.380
  138    HD2  TYR  17           HD2      TYR  17   4.688  -2.924  -2.823
  139    HE1  TYR  17           HE1      TYR  17   8.465  -3.726   0.318
  140    HE2  TYR  17           HE2      TYR  17   5.919  -5.074  -2.887
  141    HH   TYR  17           HH       TYR  17   8.694  -5.734  -0.730
  142    H    TYR  18           H        TYR  18   2.814  -0.961  -2.398
  143    HA   TYR  18           HA       TYR  18   1.017  -3.012  -1.204
  144    HB2  TYR  18           HB2      TYR  18   0.380  -0.850  -3.240
  145    HB3  TYR  18           HB3      TYR  18  -0.698  -2.176  -2.784
  146    HD1  TYR  18           HD1      TYR  18   0.892   0.960  -1.604
  147    HD2  TYR  18           HD2      TYR  18  -1.860  -2.230  -0.671
  148    HE1  TYR  18           HE1      TYR  18   0.079   2.244   0.362
  149    HE2  TYR  18           HE2      TYR  18  -2.733  -0.920   1.235
  150    HH   TYR  18           HH       TYR  18  -2.603   1.041   2.415
  151    H    PHE  19           H        PHE  19   0.560  -4.817  -2.349
  152    HA   PHE  19           HA       PHE  19   1.746  -5.165  -5.044
  153    HB2  PHE  19           HB2      PHE  19   3.454  -5.965  -3.648
  154    HB3  PHE  19           HB3      PHE  19   2.291  -6.807  -2.607
  155    HD1  PHE  19           HD1      PHE  19   1.526  -9.034  -3.069
  156    HD2  PHE  19           HD2      PHE  19   3.953  -6.899  -5.925
  157    HE1  PHE  19           HE1      PHE  19   1.933 -11.144  -4.310
  158    HE2  PHE  19           HE2      PHE  19   4.328  -9.003  -7.183
  159    HZ   PHE  19           HZ       PHE  19   3.315 -11.136  -6.376
  160    H    ASN  20           H        ASN  20   0.592  -6.233  -6.515
  161    HA   ASN  20           HA       ASN  20  -2.006  -7.392  -5.646
  162    HB2  ASN  20           HB2      ASN  20  -1.907  -5.624  -7.420
  163    HB3  ASN  20           HB3      ASN  20  -1.032  -6.771  -8.454
  164   HD21  ASN  20          HD21      ASN  20  -3.928  -5.484  -8.323
  165   HD22  ASN  20          HD22      ASN  20  -4.930  -6.890  -8.683
  166    H    HIS  21           H        HIS  21  -1.933  -9.513  -5.155
  167    HA   HIS  21           HA       HIS  21   0.269 -11.171  -6.117
  168    HB2  HIS  21           HB2      HIS  21  -0.141 -12.498  -4.379
  169    HB3  HIS  21           HB3      HIS  21  -1.026 -11.105  -3.769
  170    HD2  HIS  21           HD2      HIS  21  -3.822 -11.228  -4.210
  171    HE1  HIS  21           HE1      HIS  21  -3.938 -15.487  -4.351
  172    HE2  HIS  21           HE2      HIS  21  -5.342 -13.381  -4.085
  173    H    ILE  22           H        ILE  22  -2.819 -10.518  -7.426
  174    HA   ILE  22           HA       ILE  22  -3.140 -13.055  -8.852
  175    HB   ILE  22           HB       ILE  22  -4.451 -10.359  -9.367
  176   HG12  ILE  22          HG12      ILE  22  -4.883 -10.955  -7.037
  177   HG13  ILE  22          HG13      ILE  22  -6.343 -10.992  -8.028
  178   HG21  ILE  22          HG21      ILE  22  -6.281 -11.743 -10.340
  179   HG22  ILE  22          HG22      ILE  22  -4.758 -11.829 -11.229
  180   HG23  ILE  22          HG23      ILE  22  -5.235 -13.174 -10.171
  181   HD11  ILE  22          HD11      ILE  22  -6.289 -13.458  -8.055
  182   HD12  ILE  22          HD12      ILE  22  -4.773 -13.446  -7.121
  183   HD13  ILE  22          HD13      ILE  22  -6.276 -12.827  -6.400
  184    H    THR  23           H        THR  23  -1.966  -9.769  -9.508
  185    HA   THR  23           HA       THR  23  -1.235 -10.483 -12.296
  186    HB   THR  23           HB       THR  23  -1.595  -8.270 -12.932
  187    HG1  THR  23           HG1      THR  23  -2.251  -6.800 -11.138
  188   HG21  THR  23          HG21      THR  23  -3.734  -9.522 -12.382
  189   HG22  THR  23          HG22      THR  23  -3.759  -8.659 -10.825
  190   HG23  THR  23          HG23      THR  23  -3.854  -7.755 -12.346
  191    H    ASN  24           H        ASN  24   0.363  -9.923  -9.420
  192    HA   ASN  24           HA       ASN  24   2.414  -9.479  -8.755
  193    HB2  ASN  24           HB2      ASN  24   3.294 -10.107 -11.592
  194    HB3  ASN  24           HB3      ASN  24   4.374  -9.897 -10.210
  195   HD21  ASN  24          HD21      ASN  24   4.575 -11.556  -8.669
  196   HD22  ASN  24          HD22      ASN  24   3.815 -13.130  -8.923
  197    H    ALA  25           H        ALA  25   0.706  -7.268 -10.180
  198    HA   ALA  25           HA       ALA  25   2.618  -5.164 -10.718
  199    HB1  ALA  25           HB1      ALA  25  -0.312  -5.005  -9.895
  200    HB2  ALA  25           HB2      ALA  25   0.653  -3.701 -10.610
  201    HB3  ALA  25           HB3      ALA  25   0.289  -5.152 -11.563
  202    H    SER  26           H        SER  26   2.904  -3.209  -9.386
  203    HA   SER  26           HA       SER  26   2.321  -3.382  -6.535
  204    HB2  SER  26           HB2      SER  26   4.642  -3.000  -5.787
  205    HB3  SER  26           HB3      SER  26   4.385  -4.601  -6.480
  206    HG   SER  26           HG       SER  26   5.371  -3.916  -8.375
  207    H    GLN  27           H        GLN  27   2.534  -1.485  -5.371
  208    HA   GLN  27           HA       GLN  27   3.094   1.057  -6.804
  209    HB2  GLN  27           HB2      GLN  27   0.404   0.219  -5.652
  210    HB3  GLN  27           HB3      GLN  27   0.902   1.913  -5.713
  211    HG2  GLN  27           HG2      GLN  27   1.120   1.875  -8.099
  212    HG3  GLN  27           HG3      GLN  27   0.714   0.145  -8.161
  213   HE21  GLN  27          HE21      GLN  27  -1.090   2.280  -5.893
  214   HE22  GLN  27          HE22      GLN  27  -2.525   2.342  -6.922
  215    H    PHE  28           H        PHE  28   3.740   2.721  -5.508
  216    HA   PHE  28           HA       PHE  28   4.042   2.210  -2.617
  217    HB2  PHE  28           HB2      PHE  28   5.982   3.100  -3.450
  218    HB3  PHE  28           HB3      PHE  28   5.141   4.268  -4.476
  219    HD1  PHE  28           HD1      PHE  28   6.242   3.561  -1.005
  220    HD2  PHE  28           HD2      PHE  28   4.325   6.392  -3.636
  221    HE1  PHE  28           HE1      PHE  28   6.453   5.325   0.734
  222    HE2  PHE  28           HE2      PHE  28   4.509   8.144  -1.892
  223    HZ   PHE  28           HZ       PHE  28   5.587   7.618   0.296
  224    H    GLU  29           H        GLU  29   2.008   4.122  -4.696
  225    HA   GLU  29           HA       GLU  29   0.641   5.441  -2.438
  226    HB2  GLU  29           HB2      GLU  29   1.080   6.715  -4.437
  227    HB3  GLU  29           HB3      GLU  29   0.203   5.542  -5.440
  228    HG2  GLU  29           HG2      GLU  29  -1.902   6.088  -4.304
  229    HG3  GLU  29           HG3      GLU  29  -1.051   7.159  -3.184
  230    H    ARG  30           H        ARG  30  -1.342   4.954  -1.678
  231    HA   ARG  30           HA       ARG  30  -2.087   2.275  -1.575
  232    HB2  ARG  30           HB2      ARG  30  -2.409   3.770   0.218
  233    HB3  ARG  30           HB3      ARG  30  -3.482   4.816  -0.697
  234    HG2  ARG  30           HG2      ARG  30  -4.241   1.927  -0.166
  235    HG3  ARG  30           HG3      ARG  30  -4.428   3.152   1.097
  236    HD2  ARG  30           HD2      ARG  30  -6.232   4.103   0.156
  237    HD3  ARG  30           HD3      ARG  30  -5.540   4.092  -1.452
  238    HE   ARG  30           HE       ARG  30  -6.352   1.911  -1.881
  239   HH11  ARG  30          HH11      ARG  30  -8.972   1.967   1.105
  240   HH12  ARG  30          HH12      ARG  30  -7.564   2.990   1.255
  241   HH21  ARG  30          HH21      ARG  30  -8.086   0.757  -1.982
  242   HH22  ARG  30          HH22      ARG  30  -9.203   0.608  -0.621
  243    HA   PRO  31           HA       PRO  31  -4.228   1.803  -5.378
  244    HB2  PRO  31           HB2      PRO  31  -5.145  -0.774  -5.171
  245    HB3  PRO  31           HB3      PRO  31  -3.417  -0.330  -5.331
  246    HG2  PRO  31           HG2      PRO  31  -4.923  -0.940  -2.763
  247    HG3  PRO  31           HG3      PRO  31  -3.360  -1.622  -3.325
  248    HD2  PRO  31           HD2      PRO  31  -3.450   0.457  -1.614
  249    HD3  PRO  31           HD3      PRO  31  -2.231   0.405  -2.925
  250    H    SER  32           H        SER  32  -6.100   2.557  -6.137
  251    HA   SER  32           HA       SER  32  -8.606   2.434  -4.590
  252    HB2  SER  32           HB2      SER  32  -9.481   3.828  -6.426
  253    HB3  SER  32           HB3      SER  32  -8.020   4.508  -5.690
  254    HG   SER  32           HG       SER  32  -7.957   4.565  -7.985
  255    H    GLY  33           H        GLY  33  -7.128   0.675  -7.226
  256    HA2  GLY  33           HA2      GLY  33  -8.879  -1.525  -7.228
  257    HA3  GLY  33           HA3      GLY  33  -9.487  -0.426  -8.464
  258    H1B  XYP 101           H1       XYP  34  12.507   1.516   1.544
  259    H2B  XYP 101           H2       XYP  34  14.903   3.172   0.598
  260    H3B  XYP 101           H3       XYP  34  11.967   3.486  -0.179
  261    H4B  XYP 101           H4       XYP  34  14.236   2.374  -1.901
  262   H5B1  XYP 101          H5E       XYP  34  13.026   0.204  -1.766
  263   H5B2  XYP 101          H5A       XYP  34  11.843   0.921  -0.659
  264   HO2B  XYP 101          H2O       XYP  34  12.614   3.692   2.246
  265   HO3B  XYP 101          H3O       XYP  34  13.392   5.365  -0.247
  266   HO4B  XYP 101          H4O       XYP  34  12.464   3.600  -2.868
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1 -11.525  -3.775   3.062
    2    H2   LYS   1           H2       LYS   1 -12.472  -2.635   2.363
    3    H3   LYS   1           H3       LYS   1 -12.499  -2.838   3.983
    4    HA   LYS   1           HA       LYS   1 -11.289  -0.863   3.430
    5    HB2  LYS   1           HB2      LYS   1 -10.699  -2.200   5.432
    6    HB3  LYS   1           HB3      LYS   1  -9.445  -3.029   4.531
    7    HG2  LYS   1           HG2      LYS   1  -9.543  -0.017   5.035
    8    HG3  LYS   1           HG3      LYS   1  -8.701  -1.187   6.050
    9    HD2  LYS   1           HD2      LYS   1  -7.342  -1.838   3.971
   10    HD3  LYS   1           HD3      LYS   1  -7.973  -0.364   3.216
   11    HE2  LYS   1           HE2      LYS   1  -6.356  -0.547   5.792
   12    HE3  LYS   1           HE3      LYS   1  -5.752  -0.030   4.214
   13    HZ1  LYS   1           HZ1      LYS   1  -7.303   1.860   4.323
   14    HZ2  LYS   1           HZ2      LYS   1  -7.830   1.387   5.799
   15    HZ3  LYS   1           HZ3      LYS   1  -6.288   1.874   5.601
   16    H    LEU   2           H        LEU   2  -8.993  -3.479   2.456
   17    HA   LEU   2           HA       LEU   2  -8.010  -1.806   0.284
   18    HB2  LEU   2           HB2      LEU   2  -6.656  -3.186   1.955
   19    HB3  LEU   2           HB3      LEU   2  -7.197  -4.620   1.066
   20    HG   LEU   2           HG       LEU   2  -6.071  -3.628  -0.983
   21   HD11  LEU   2          HD11      LEU   2  -4.316  -1.877  -0.488
   22   HD12  LEU   2          HD12      LEU   2  -5.961  -1.244  -0.354
   23   HD13  LEU   2          HD13      LEU   2  -5.035  -1.649   1.112
   24   HD21  LEU   2          HD21      LEU   2  -3.803  -4.197  -0.214
   25   HD22  LEU   2          HD22      LEU   2  -4.328  -4.038   1.483
   26   HD23  LEU   2          HD23      LEU   2  -4.999  -5.323   0.461
   27    HA   PRO   3           HA       PRO   3 -10.640  -3.732  -2.749
   28    HB2  PRO   3           HB2      PRO   3  -8.509  -3.353  -4.810
   29    HB3  PRO   3           HB3      PRO   3 -10.198  -2.765  -4.804
   30    HG2  PRO   3           HG2      PRO   3  -8.102  -1.104  -4.331
   31    HG3  PRO   3           HG3      PRO   3  -9.648  -0.926  -3.437
   32    HD2  PRO   3           HD2      PRO   3  -7.091  -2.266  -2.486
   33    HD3  PRO   3           HD3      PRO   3  -8.185  -1.136  -1.638
   34    HA   PRO   4           HA       PRO   4  -9.566  -8.007  -3.477
   35    HB2  PRO   4           HB2      PRO   4 -10.584  -7.617  -6.295
   36    HB3  PRO   4           HB3      PRO   4 -10.943  -8.939  -5.136
   37    HG2  PRO   4           HG2      PRO   4 -12.730  -6.943  -5.496
   38    HG3  PRO   4           HG3      PRO   4 -12.350  -7.502  -3.831
   39    HD2  PRO   4           HD2      PRO   4 -11.256  -5.083  -5.297
   40    HD3  PRO   4           HD3      PRO   4 -11.884  -5.210  -3.622
   41    H    GLY   5           H        GLY   5  -7.850  -9.202  -4.146
   42    HA2  GLY   5           HA2      GLY   5  -6.017  -9.913  -5.347
   43    HA3  GLY   5           HA3      GLY   5  -6.250  -8.592  -6.506
   44    H    TRP   6           H        TRP   6  -6.115  -6.532  -4.239
   45    HA   TRP   6           HA       TRP   6  -3.196  -6.310  -4.101
   46    HB2  TRP   6           HB2      TRP   6  -5.388  -4.534  -3.029
   47    HB3  TRP   6           HB3      TRP   6  -3.670  -4.210  -2.856
   48    HD1  TRP   6           HD1      TRP   6  -6.486  -4.068  -5.337
   49    HE1  TRP   6           HE1      TRP   6  -5.761  -2.904  -7.497
   50    HE3  TRP   6           HE3      TRP   6  -1.457  -3.788  -4.432
   51    HZ2  TRP   6           HZ2      TRP   6  -3.266  -2.157  -8.779
   52    HZ3  TRP   6           HZ3      TRP   6   0.082  -2.805  -6.153
   53    HH2  TRP   6           HH2      TRP   6  -0.816  -2.036  -8.325
   54    H    GLU   7           H        GLU   7  -1.894  -6.298  -2.308
   55    HA   GLU   7           HA       GLU   7  -3.010  -6.732   0.388
   56    HB2  GLU   7           HB2      GLU   7  -2.503  -8.991  -0.778
   57    HB3  GLU   7           HB3      GLU   7  -0.800  -8.531  -0.669
   58    HG2  GLU   7           HG2      GLU   7  -1.037  -8.359   1.810
   59    HG3  GLU   7           HG3      GLU   7  -2.758  -8.734   1.673
   60    H    LYS   8           H        LYS   8  -1.638  -5.947   2.035
   61    HA   LYS   8           HA       LYS   8   0.248  -3.894   1.250
   62    HB2  LYS   8           HB2      LYS   8  -0.738  -4.915   3.917
   63    HB3  LYS   8           HB3      LYS   8   0.625  -3.786   3.810
   64    HG2  LYS   8           HG2      LYS   8  -0.700  -2.196   2.523
   65    HG3  LYS   8           HG3      LYS   8  -2.086  -3.304   2.514
   66    HD2  LYS   8           HD2      LYS   8  -2.556  -1.680   4.181
   67    HD3  LYS   8           HD3      LYS   8  -2.072  -3.133   5.074
   68    HE2  LYS   8           HE2      LYS   8   0.252  -2.185   5.264
   69    HE3  LYS   8           HE3      LYS   8  -0.291  -0.744   4.389
   70    HZ1  LYS   8           HZ1      LYS   8  -1.845  -0.307   6.216
   71    HZ2  LYS   8           HZ2      LYS   8  -1.352  -1.647   7.016
   72    HZ3  LYS   8           HZ3      LYS   8  -0.323  -0.400   6.797
   73    H    ARG   9           H        ARG   9   2.346  -3.665   1.564
   74    HA   ARG   9           HA       ARG   9   4.078  -5.947   2.411
   75    HB2  ARG   9           HB2      ARG   9   4.386  -4.310  -0.137
   76    HB3  ARG   9           HB3      ARG   9   5.624  -5.401   0.485
   77    HG2  ARG   9           HG2      ARG   9   2.887  -6.219  -0.440
   78    HG3  ARG   9           HG3      ARG   9   4.384  -6.368  -1.378
   79    HD2  ARG   9           HD2      ARG   9   5.321  -7.927   0.233
   80    HD3  ARG   9           HD3      ARG   9   3.911  -7.768   1.291
   81    HE   ARG   9           HE       ARG   9   4.073  -9.231  -1.285
   82   HH11  ARG   9          HH11      ARG   9   2.534 -10.878  -1.575
   83   HH12  ARG   9          HH12      ARG   9   1.146 -10.907  -0.486
   84   HH21  ARG   9          HH21      ARG   9   1.907  -8.235   1.358
   85   HH22  ARG   9          HH22      ARG   9   0.878  -9.631   1.014
   86    H    MET  10           H        MET  10   6.345  -5.268   2.484
   87    HA   MET  10           HA       MET  10   6.909  -2.490   3.169
   88    HB2  MET  10           HB2      MET  10   5.816  -3.327   5.248
   89    HB3  MET  10           HB3      MET  10   7.077  -4.569   5.381
   90    HG2  MET  10           HG2      MET  10   8.777  -2.704   5.479
   91    HG3  MET  10           HG3      MET  10   7.436  -1.549   5.540
   92    HE1  MET  10           HE1      MET  10   5.304  -2.741   7.470
   93    HE2  MET  10           HE2      MET  10   5.883  -2.237   9.070
   94    HE3  MET  10           HE3      MET  10   5.968  -1.105   7.707
   95    H    PHE  11           H        PHE  11   8.958  -1.972   2.825
   96    HA   PHE  11           HA       PHE  11  10.943  -3.885   1.944
   97    HB2  PHE  11           HB2      PHE  11  10.955  -0.896   2.340
   98    HB3  PHE  11           HB3      PHE  11  12.403  -1.790   1.877
   99    HD1  PHE  11           HD1      PHE  11   9.448  -0.190   0.626
  100    HD2  PHE  11           HD2      PHE  11  12.326  -3.289  -0.225
  101    HE1  PHE  11           HE1      PHE  11   8.858  -0.077  -1.782
  102    HE2  PHE  11           HE2      PHE  11  11.717  -3.187  -2.632
  103    HZ   PHE  11           HZ       PHE  11   9.985  -1.579  -3.414
  104    H    ALA  12           H        ALA  12  13.163  -4.040   2.725
  105    HA   ALA  12           HA       ALA  12  13.341  -4.798   5.452
  106    HB1  ALA  12           HB1      ALA  12  14.764  -5.670   3.634
  107    HB2  ALA  12           HB2      ALA  12  15.541  -4.077   3.463
  108    HB3  ALA  12           HB3      ALA  12  15.749  -5.018   4.956
  109    H    ASN  13           H        ASN  13  13.760  -1.623   4.033
  110    HA   ASN  13           HA       ASN  13  15.057  -0.477   6.414
  111    HB2  ASN  13           HB2      ASN  13  15.080   1.599   5.139
  112    HB3  ASN  13           HB3      ASN  13  15.734   0.253   4.196
  113   HD21  ASN  13          HD21      ASN  13  15.409   1.552   2.342
  114    H    GLY  14           H        GLY  14  11.903  -1.389   5.915
  115    HA2  GLY  14           HA2      GLY  14  10.135  -1.027   7.376
  116    HA3  GLY  14           HA3      GLY  14  10.910   0.430   8.015
  117    H    THR  15           H        THR  15  10.595   0.275   4.527
  118    HA   THR  15           HA       THR  15   8.545   2.424   4.565
  119    HB   THR  15           HB       THR  15  10.252   1.240   2.340
  120    HG1  THR  15           HG1      THR  15  11.536   2.337   3.559
  121   HG21  THR  15          HG21      THR  15   8.411   3.654   2.300
  122   HG22  THR  15          HG22      THR  15   9.632   3.265   1.059
  123   HG23  THR  15          HG23      THR  15   8.271   2.169   1.320
  124    H    VAL  16           H        VAL  16   6.445   2.102   3.973
  125    HA   VAL  16           HA       VAL  16   5.558  -0.665   3.406
  126    HB   VAL  16           HB       VAL  16   4.136   1.879   4.269
  127   HG11  VAL  16          HG11      VAL  16   2.508   0.618   2.947
  128   HG12  VAL  16          HG12      VAL  16   2.907  -0.874   3.832
  129   HG13  VAL  16          HG13      VAL  16   2.126   0.489   4.662
  130   HG21  VAL  16          HG21      VAL  16   3.782   0.629   6.368
  131   HG22  VAL  16          HG22      VAL  16   4.650  -0.767   5.692
  132   HG23  VAL  16          HG23      VAL  16   5.508   0.758   6.009
  133    H    TYR  17           H        TYR  17   4.347  -1.276   1.668
  134    HA   TYR  17           HA       TYR  17   3.485   0.617  -0.400
  135    HB2  TYR  17           HB2      TYR  17   4.726  -0.363  -2.212
  136    HB3  TYR  17           HB3      TYR  17   5.853   0.206  -0.995
  137    HD1  TYR  17           HD1      TYR  17   7.123  -1.431   0.420
  138    HD2  TYR  17           HD2      TYR  17   4.613  -2.703  -2.855
  139    HE1  TYR  17           HE1      TYR  17   8.419  -3.551   0.233
  140    HE2  TYR  17           HE2      TYR  17   5.920  -4.807  -3.048
  141    HH   TYR  17           HH       TYR  17   8.728  -5.478  -0.934
  142    H    TYR  18           H        TYR  18   2.689  -0.947  -2.352
  143    HA   TYR  18           HA       TYR  18   0.963  -3.069  -1.160
  144    HB2  TYR  18           HB2      TYR  18   0.238  -0.919  -3.176
  145    HB3  TYR  18           HB3      TYR  18  -0.803  -2.261  -2.682
  146    HD1  TYR  18           HD1      TYR  18  -1.809  -2.365  -0.454
  147    HD2  TYR  18           HD2      TYR  18   0.666   0.962  -1.653
  148    HE1  TYR  18           HE1      TYR  18  -2.673  -1.036   1.449
  149    HE2  TYR  18           HE2      TYR  18  -0.200   2.300   0.263
  150    HH   TYR  18           HH       TYR  18  -2.638   0.977   2.532
  151    H    PHE  19           H        PHE  19   0.493  -4.851  -2.334
  152    HA   PHE  19           HA       PHE  19   1.714  -5.172  -5.012
  153    HB2  PHE  19           HB2      PHE  19   3.379  -6.020  -3.640
  154    HB3  PHE  19           HB3      PHE  19   2.205  -6.820  -2.580
  155    HD1  PHE  19           HD1      PHE  19   4.000  -7.074  -5.787
  156    HD2  PHE  19           HD2      PHE  19   1.249  -8.985  -3.073
  157    HE1  PHE  19           HE1      PHE  19   4.309  -9.221  -6.993
  158    HE2  PHE  19           HE2      PHE  19   1.604 -11.148  -4.246
  159    HZ   PHE  19           HZ       PHE  19   3.114 -11.267  -6.219
  160    H    ASN  20           H        ASN  20   0.652  -6.249  -6.532
  161    HA   ASN  20           HA       ASN  20  -2.069  -7.238  -5.842
  162    HB2  ASN  20           HB2      ASN  20  -1.755  -5.477  -7.580
  163    HB3  ASN  20           HB3      ASN  20  -0.831  -6.638  -8.554
  164   HD21  ASN  20          HD21      ASN  20  -4.581  -6.571  -9.374
  165   HD22  ASN  20          HD22      ASN  20  -3.483  -5.237  -9.012
  166    H    HIS  21           H        HIS  21  -2.086  -9.356  -5.292
  167    HA   HIS  21           HA       HIS  21   0.058 -11.133  -6.152
  168    HB2  HIS  21           HB2      HIS  21  -0.493 -12.400  -4.416
  169    HB3  HIS  21           HB3      HIS  21  -1.386 -10.984  -3.878
  170    HD2  HIS  21           HD2      HIS  21  -4.143 -11.054  -4.438
  171    HE1  HIS  21           HE1      HIS  21  -4.350 -15.308  -4.628
  172    HE2  HIS  21           HE2      HIS  21  -5.717 -13.171  -4.410
  173    H    ILE  22           H        ILE  22  -2.901 -10.312  -7.633
  174    HA   ILE  22           HA       ILE  22  -3.296 -12.833  -9.067
  175    HB   ILE  22           HB       ILE  22  -4.402 -10.063  -9.667
  176   HG12  ILE  22          HG12      ILE  22  -5.023 -10.587  -7.371
  177   HG13  ILE  22          HG13      ILE  22  -6.421 -10.613  -8.447
  178   HG21  ILE  22          HG21      ILE  22  -4.686 -11.525 -11.539
  179   HG22  ILE  22          HG22      ILE  22  -5.311 -12.829 -10.508
  180   HG23  ILE  22          HG23      ILE  22  -6.252 -11.338 -10.745
  181   HD11  ILE  22          HD11      ILE  22  -6.499 -12.425  -6.785
  182   HD12  ILE  22          HD12      ILE  22  -6.427 -13.081  -8.429
  183   HD13  ILE  22          HD13      ILE  22  -4.973 -13.087  -7.403
  184    H    THR  23           H        THR  23  -1.857  -9.643  -9.671
  185    HA   THR  23           HA       THR  23  -1.021 -10.436 -12.408
  186    HB   THR  23           HB       THR  23  -1.168  -8.198 -13.070
  187    HG1  THR  23           HG1      THR  23  -1.855  -6.688 -11.318
  188   HG21  THR  23          HG21      THR  23  -3.428  -7.531 -12.640
  189   HG22  THR  23          HG22      THR  23  -3.416  -9.302 -12.696
  190   HG23  THR  23          HG23      THR  23  -3.503  -8.460 -11.131
  191    H    ASN  24           H        ASN  24   0.415  -9.924  -9.432
  192    HA   ASN  24           HA       ASN  24   2.436  -9.621  -8.626
  193    HB2  ASN  24           HB2      ASN  24   3.518 -10.295 -11.380
  194    HB3  ASN  24           HB3      ASN  24   4.452 -10.235  -9.879
  195   HD21  ASN  24          HD21      ASN  24   2.989 -12.378 -11.927
  196   HD22  ASN  24          HD22      ASN  24   2.715 -13.674 -10.758
  197    H    ALA  25           H        ALA  25   0.987  -7.320 -10.181
  198    HA   ALA  25           HA       ALA  25   3.082  -5.352 -10.582
  199    HB1  ALA  25           HB1      ALA  25   1.217  -3.763 -10.654
  200    HB2  ALA  25           HB2      ALA  25   0.838  -5.195 -11.626
  201    HB3  ALA  25           HB3      ALA  25   0.107  -4.989 -10.017
  202    H    SER  26           H        SER  26   3.441  -3.441  -9.226
  203    HA   SER  26           HA       SER  26   2.523  -3.482  -6.455
  204    HB2  SER  26           HB2      SER  26   4.793  -3.367  -5.465
  205    HB3  SER  26           HB3      SER  26   4.428  -4.929  -6.198
  206    HG   SER  26           HG       SER  26   5.966  -2.848  -7.392
  207    H    GLN  27           H        GLN  27   2.767  -1.541  -5.322
  208    HA   GLN  27           HA       GLN  27   4.018   0.783  -6.598
  209    HB2  GLN  27           HB2      GLN  27   1.980   2.070  -6.830
  210    HB3  GLN  27           HB3      GLN  27   1.918   0.624  -7.850
  211    HG2  GLN  27           HG2      GLN  27   0.353  -0.469  -6.434
  212    HG3  GLN  27           HG3      GLN  27   0.523   0.720  -5.154
  213   HE21  GLN  27          HE21      GLN  27  -2.599   1.438  -6.946
  214   HE22  GLN  27          HE22      GLN  27  -1.958   0.015  -6.117
  215    H    PHE  28           H        PHE  28   4.206   2.606  -5.258
  216    HA   PHE  28           HA       PHE  28   3.982   2.100  -2.396
  217    HB2  PHE  28           HB2      PHE  28   5.980   3.065  -2.901
  218    HB3  PHE  28           HB3      PHE  28   5.275   4.212  -4.047
  219    HD1  PHE  28           HD1      PHE  28   4.215   6.294  -3.330
  220    HD2  PHE  28           HD2      PHE  28   5.965   3.574  -0.474
  221    HE1  PHE  28           HE1      PHE  28   4.113   8.058  -1.591
  222    HE2  PHE  28           HE2      PHE  28   5.881   5.349   1.262
  223    HZ   PHE  28           HZ       PHE  28   4.954   7.592   0.710
  224    H    GLU  29           H        GLU  29   2.328   4.362  -4.558
  225    HA   GLU  29           HA       GLU  29   0.629   5.491  -2.489
  226    HB2  GLU  29           HB2      GLU  29   1.140   6.602  -4.636
  227    HB3  GLU  29           HB3      GLU  29   0.251   5.327  -5.509
  228    HG2  GLU  29           HG2      GLU  29  -1.835   5.977  -4.400
  229    HG3  GLU  29           HG3      GLU  29  -0.975   7.150  -3.398
  230    H    ARG  30           H        ARG  30  -1.503   4.866  -1.875
  231    HA   ARG  30           HA       ARG  30  -1.881   2.053  -2.009
  232    HB2  ARG  30           HB2      ARG  30  -3.795   2.284  -0.617
  233    HB3  ARG  30           HB3      ARG  30  -2.533   3.342  -0.039
  234    HG2  ARG  30           HG2      ARG  30  -3.688   5.210  -0.382
  235    HG3  ARG  30           HG3      ARG  30  -4.447   4.683  -1.898
  236    HD2  ARG  30           HD2      ARG  30  -5.267   3.731   0.871
  237    HD3  ARG  30           HD3      ARG  30  -6.075   5.018  -0.037
  238    HE   ARG  30           HE       ARG  30  -6.132   2.875  -1.806
  239   HH11  ARG  30          HH11      ARG  30  -7.352   3.275   1.464
  240   HH12  ARG  30          HH12      ARG  30  -8.653   2.140   1.183
  241   HH21  ARG  30          HH21      ARG  30  -7.819   1.613  -2.106
  242   HH22  ARG  30          HH22      ARG  30  -8.905   1.197  -0.786
  243    HA   PRO  31           HA       PRO  31  -4.366   1.056  -5.462
  244    HB2  PRO  31           HB2      PRO  31  -6.145  -0.343  -3.462
  245    HB3  PRO  31           HB3      PRO  31  -5.547  -0.945  -5.040
  246    HG2  PRO  31           HG2      PRO  31  -4.355  -1.731  -2.746
  247    HG3  PRO  31           HG3      PRO  31  -3.315  -1.194  -4.115
  248    HD2  PRO  31           HD2      PRO  31  -4.200   0.377  -1.682
  249    HD3  PRO  31           HD3      PRO  31  -2.579   0.220  -2.433
  250    H    SER  32           H        SER  32  -5.907   2.111  -6.619
  251    HA   SER  32           HA       SER  32  -8.017   3.701  -5.309
  252    HB2  SER  32           HB2      SER  32  -8.482   4.468  -7.604
  253    HB3  SER  32           HB3      SER  32  -6.787   4.695  -7.143
  254    HG   SER  32           HG       SER  32  -7.017   3.796  -9.243
  255    H    GLY  33           H        GLY  33  -7.722   0.582  -6.843
  256    HA2  GLY  33           HA2      GLY  33 -10.183  -0.497  -6.071
  257    HA3  GLY  33           HA3      GLY  33 -10.444   0.178  -7.680
  258    H1B  XYP 101           H1       XYP  34  12.660   2.303   1.611
  259    H2B  XYP 101           H2       XYP  34  15.332   2.739   0.158
  260    H3B  XYP 101           H3       XYP  34  12.569   3.906  -0.452
  261    H4B  XYP 101           H4       XYP  34  14.188   1.854  -2.045
  262   H5B1  XYP 101          H5E       XYP  34  12.455   0.223  -1.420
  263   H5B2  XYP 101          H5A       XYP  34  11.590   1.451  -0.472
  264   HO2B  XYP 101          H2O       XYP  34  14.814   4.962   0.758
  265   HO3B  XYP 101          H3O       XYP  34  13.758   4.567  -2.391
  266   HO4B  XYP 101          H4O       XYP  34  12.282   1.875  -3.345
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -11.469  -3.616   3.055
    2    H2   LYS   1           H2       LYS   1 -12.363  -2.390   2.434
    3    H3   LYS   1           H3       LYS   1 -12.271  -2.598   4.051
    4    HA   LYS   1           HA       LYS   1 -10.936  -0.736   3.389
    5    HB2  LYS   1           HB2      LYS   1 -10.227  -2.021   5.365
    6    HB3  LYS   1           HB3      LYS   1  -9.273  -3.097   4.347
    7    HG2  LYS   1           HG2      LYS   1  -7.925  -1.011   3.618
    8    HG3  LYS   1           HG3      LYS   1  -8.837  -0.119   4.838
    9    HD2  LYS   1           HD2      LYS   1  -6.763  -0.699   5.833
   10    HD3  LYS   1           HD3      LYS   1  -7.955  -1.791   6.556
   11    HE2  LYS   1           HE2      LYS   1  -7.257  -3.565   4.908
   12    HE3  LYS   1           HE3      LYS   1  -6.052  -2.451   4.245
   13    HZ1  LYS   1           HZ1      LYS   1  -6.111  -3.455   7.044
   14    HZ2  LYS   1           HZ2      LYS   1  -5.075  -3.953   5.887
   15    HZ3  LYS   1           HZ3      LYS   1  -4.996  -2.419   6.451
   16    H    LEU   2           H        LEU   2  -9.036  -3.569   2.247
   17    HA   LEU   2           HA       LEU   2  -7.857  -1.893   0.160
   18    HB2  LEU   2           HB2      LEU   2  -6.601  -3.244   1.870
   19    HB3  LEU   2           HB3      LEU   2  -7.191  -4.710   1.069
   20    HG   LEU   2           HG       LEU   2  -5.941  -3.967  -0.997
   21   HD11  LEU   2          HD11      LEU   2  -4.180  -2.237  -0.695
   22   HD12  LEU   2          HD12      LEU   2  -5.778  -1.523  -0.517
   23   HD13  LEU   2          HD13      LEU   2  -4.814  -1.874   0.933
   24   HD21  LEU   2          HD21      LEU   2  -3.715  -4.509  -0.064
   25   HD22  LEU   2          HD22      LEU   2  -4.328  -4.216   1.579
   26   HD23  LEU   2          HD23      LEU   2  -4.974  -5.559   0.617
   27    HA   PRO   3           HA       PRO   3 -10.383  -3.671  -3.004
   28    HB2  PRO   3           HB2      PRO   3  -8.200  -3.403  -5.011
   29    HB3  PRO   3           HB3      PRO   3  -9.819  -2.648  -4.987
   30    HG2  PRO   3           HG2      PRO   3  -7.549  -1.223  -4.442
   31    HG3  PRO   3           HG3      PRO   3  -9.091  -0.910  -3.578
   32    HD2  PRO   3           HD2      PRO   3  -6.722  -2.551  -2.630
   33    HD3  PRO   3           HD3      PRO   3  -7.680  -1.312  -1.778
   34    HA   PRO   4           HA       PRO   4  -9.579  -7.977  -3.770
   35    HB2  PRO   4           HB2      PRO   4 -10.303  -7.510  -6.666
   36    HB3  PRO   4           HB3      PRO   4 -10.875  -8.794  -5.550
   37    HG2  PRO   4           HG2      PRO   4 -12.451  -6.658  -6.066
   38    HG3  PRO   4           HG3      PRO   4 -12.277  -7.241  -4.376
   39    HD2  PRO   4           HD2      PRO   4 -10.854  -4.925  -5.722
   40    HD3  PRO   4           HD3      PRO   4 -11.645  -4.993  -4.113
   41    H    GLY   5           H        GLY   5  -7.898  -9.299  -4.302
   42    HA2  GLY   5           HA2      GLY   5  -5.950 -10.091  -5.199
   43    HA3  GLY   5           HA3      GLY   5  -6.057  -8.871  -6.484
   44    H    TRP   6           H        TRP   6  -6.069  -6.703  -4.218
   45    HA   TRP   6           HA       TRP   6  -3.171  -6.400  -4.091
   46    HB2  TRP   6           HB2      TRP   6  -5.444  -4.681  -3.123
   47    HB3  TRP   6           HB3      TRP   6  -3.757  -4.305  -2.809
   48    HD1  TRP   6           HD1      TRP   6  -6.327  -4.315  -5.561
   49    HE1  TRP   6           HE1      TRP   6  -5.421  -3.151  -7.668
   50    HE3  TRP   6           HE3      TRP   6  -1.429  -3.942  -4.195
   51    HZ2  TRP   6           HZ2      TRP   6  -2.847  -2.305  -8.683
   52    HZ3  TRP   6           HZ3      TRP   6   0.255  -3.022  -5.783
   53    HH2  TRP   6           HH2      TRP   6  -0.439  -2.209  -8.022
   54    H    GLU   7           H        GLU   7  -1.834  -6.277  -2.368
   55    HA   GLU   7           HA       GLU   7  -2.750  -6.947   0.358
   56    HB2  GLU   7           HB2      GLU   7  -2.198  -9.099  -0.603
   57    HB3  GLU   7           HB3      GLU   7  -0.750  -8.458  -1.351
   58    HG2  GLU   7           HG2      GLU   7  -0.179  -9.911   0.463
   59    HG3  GLU   7           HG3      GLU   7   0.396  -8.283   0.758
   60    H    LYS   8           H        LYS   8  -1.487  -6.016   1.978
   61    HA   LYS   8           HA       LYS   8   0.281  -3.822   1.184
   62    HB2  LYS   8           HB2      LYS   8  -0.744  -4.815   3.844
   63    HB3  LYS   8           HB3      LYS   8   0.646  -3.717   3.766
   64    HG2  LYS   8           HG2      LYS   8  -0.638  -2.146   2.359
   65    HG3  LYS   8           HG3      LYS   8  -2.057  -3.208   2.472
   66    HD2  LYS   8           HD2      LYS   8  -2.393  -1.436   4.015
   67    HD3  LYS   8           HD3      LYS   8  -1.971  -2.852   4.999
   68    HE2  LYS   8           HE2      LYS   8   0.388  -2.031   5.135
   69    HE3  LYS   8           HE3      LYS   8  -0.038  -0.646   4.122
   70    HZ1  LYS   8           HZ1      LYS   8  -1.567   0.079   5.872
   71    HZ2  LYS   8           HZ2      LYS   8  -1.174  -1.204   6.810
   72    HZ3  LYS   8           HZ3      LYS   8  -0.057  -0.064   6.473
   73    H    ARG   9           H        ARG   9   2.364  -3.525   1.517
   74    HA   ARG   9           HA       ARG   9   4.160  -5.813   2.206
   75    HB2  ARG   9           HB2      ARG   9   4.100  -4.084  -0.289
   76    HB3  ARG   9           HB3      ARG   9   5.602  -4.789   0.262
   77    HG2  ARG   9           HG2      ARG   9   3.124  -6.344  -0.472
   78    HG3  ARG   9           HG3      ARG   9   4.532  -6.103  -1.511
   79    HD2  ARG   9           HD2      ARG   9   4.484  -7.666   1.099
   80    HD3  ARG   9           HD3      ARG   9   4.622  -8.321  -0.540
   81    HE   ARG   9           HE       ARG   9   6.798  -7.196  -0.779
   82   HH11  ARG   9          HH11      ARG   9   8.670  -6.501   0.088
   83   HH12  ARG   9          HH12      ARG   9   8.908  -6.545   1.822
   84   HH21  ARG   9          HH21      ARG   9   5.844  -7.843   2.541
   85   HH22  ARG   9          HH22      ARG   9   7.404  -7.350   3.144
   86    H    MET  10           H        MET  10   6.347  -5.232   2.581
   87    HA   MET  10           HA       MET  10   7.016  -2.449   3.085
   88    HB2  MET  10           HB2      MET  10   5.761  -3.163   5.176
   89    HB3  MET  10           HB3      MET  10   7.075  -4.317   5.482
   90    HG2  MET  10           HG2      MET  10   8.677  -2.363   5.499
   91    HG3  MET  10           HG3      MET  10   7.291  -1.288   5.254
   92    HE1  MET  10           HE1      MET  10   9.404  -3.415   7.668
   93    HE2  MET  10           HE2      MET  10   8.394  -3.567   9.122
   94    HE3  MET  10           HE3      MET  10   7.961  -4.454   7.647
   95    H    PHE  11           H        PHE  11   9.107  -2.048   2.851
   96    HA   PHE  11           HA       PHE  11  11.054  -4.109   2.265
   97    HB2  PHE  11           HB2      PHE  11  11.199  -1.104   2.484
   98    HB3  PHE  11           HB3      PHE  11  12.623  -2.101   2.189
   99    HD1  PHE  11           HD1      PHE  11   9.839  -0.449   0.624
  100    HD2  PHE  11           HD2      PHE  11  12.642  -3.697   0.168
  101    HE1  PHE  11           HE1      PHE  11   9.438  -0.451  -1.824
  102    HE2  PHE  11           HE2      PHE  11  12.221  -3.710  -2.280
  103    HZ   PHE  11           HZ       PHE  11  10.623  -2.085  -3.280
  104    H    ALA  12           H        ALA  12  13.172  -4.342   3.262
  105    HA   ALA  12           HA       ALA  12  13.052  -4.901   6.041
  106    HB1  ALA  12           HB1      ALA  12  14.560  -6.007   4.429
  107    HB2  ALA  12           HB2      ALA  12  15.466  -4.489   4.218
  108    HB3  ALA  12           HB3      ALA  12  15.471  -5.322   5.787
  109    H    ASN  13           H        ASN  13  13.829  -1.882   4.442
  110    HA   ASN  13           HA       ASN  13  15.016  -0.647   6.831
  111    HB2  ASN  13           HB2      ASN  13  15.264   1.327   5.426
  112    HB3  ASN  13           HB3      ASN  13  15.887  -0.121   4.622
  113   HD21  ASN  13          HD21      ASN  13  15.777   1.087   2.679
  114    H    GLY  14           H        GLY  14  11.850  -1.396   6.165
  115    HA2  GLY  14           HA2      GLY  14  10.021  -0.825   7.482
  116    HA3  GLY  14           HA3      GLY  14  10.843   0.632   8.061
  117    H    THR  15           H        THR  15  10.747   0.224   4.580
  118    HA   THR  15           HA       THR  15   8.822   2.468   4.320
  119    HB   THR  15           HB       THR  15  10.595   1.049   2.294
  120    HG1  THR  15           HG1      THR  15  11.871   2.136   3.537
  121   HG21  THR  15          HG21      THR  15   8.731   2.042   1.114
  122   HG22  THR  15          HG22      THR  15   8.927   3.570   2.013
  123   HG23  THR  15          HG23      THR  15  10.178   3.024   0.866
  124    H    VAL  16           H        VAL  16   6.738   2.172   3.725
  125    HA   VAL  16           HA       VAL  16   5.772  -0.585   3.253
  126    HB   VAL  16           HB       VAL  16   4.431   2.039   3.987
  127   HG11  VAL  16          HG11      VAL  16   3.081  -0.665   3.620
  128   HG12  VAL  16          HG12      VAL  16   2.350   0.765   4.377
  129   HG13  VAL  16          HG13      VAL  16   2.775   0.809   2.670
  130   HG21  VAL  16          HG21      VAL  16   5.711   0.915   5.797
  131   HG22  VAL  16          HG22      VAL  16   3.972   0.884   6.117
  132   HG23  VAL  16          HG23      VAL  16   4.784  -0.576   5.518
  133    H    TYR  17           H        TYR  17   4.546  -1.227   1.537
  134    HA   TYR  17           HA       TYR  17   3.749   0.606  -0.590
  135    HB2  TYR  17           HB2      TYR  17   4.875  -0.505  -2.405
  136    HB3  TYR  17           HB3      TYR  17   6.043   0.118  -1.259
  137    HD1  TYR  17           HD1      TYR  17   7.324  -1.468   0.246
  138    HD2  TYR  17           HD2      TYR  17   4.811  -2.861  -2.987
  139    HE1  TYR  17           HE1      TYR  17   8.659  -3.571   0.086
  140    HE2  TYR  17           HE2      TYR  17   6.184  -4.905  -3.185
  141    HH   TYR  17           HH       TYR  17   8.236  -5.857  -2.575
  142    H    TYR  18           H        TYR  18   2.893  -1.008  -2.483
  143    HA   TYR  18           HA       TYR  18   1.089  -3.027  -1.244
  144    HB2  TYR  18           HB2      TYR  18   0.403  -0.864  -3.266
  145    HB3  TYR  18           HB3      TYR  18  -0.664  -2.187  -2.782
  146    HD1  TYR  18           HD1      TYR  18   0.957   0.951  -1.649
  147    HD2  TYR  18           HD2      TYR  18  -1.789  -2.222  -0.647
  148    HE1  TYR  18           HE1      TYR  18   0.206   2.239   0.339
  149    HE2  TYR  18           HE2      TYR  18  -2.606  -0.894   1.288
  150    HH   TYR  18           HH       TYR  18  -1.130   2.230   2.206
  151    H    PHE  19           H        PHE  19   0.578  -4.812  -2.420
  152    HA   PHE  19           HA       PHE  19   1.772  -5.172  -5.110
  153    HB2  PHE  19           HB2      PHE  19   3.458  -5.981  -3.687
  154    HB3  PHE  19           HB3      PHE  19   2.276  -6.816  -2.659
  155    HD1  PHE  19           HD1      PHE  19   1.496  -9.050  -3.143
  156    HD2  PHE  19           HD2      PHE  19   3.999  -6.908  -5.935
  157    HE1  PHE  19           HE1      PHE  19   1.913 -11.151  -4.394
  158    HE2  PHE  19           HE2      PHE  19   4.366  -9.007  -7.214
  159    HZ   PHE  19           HZ       PHE  19   3.325 -11.134  -6.442
  160    H    ASN  20           H        ASN  20   0.590  -6.261  -6.581
  161    HA   ASN  20           HA       ASN  20  -1.997  -7.399  -5.641
  162    HB2  ASN  20           HB2      ASN  20  -1.964  -5.636  -7.431
  163    HB3  ASN  20           HB3      ASN  20  -1.140  -6.802  -8.486
  164   HD21  ASN  20          HD21      ASN  20  -5.113  -6.999  -8.194
  165   HD22  ASN  20          HD22      ASN  20  -4.165  -5.610  -7.664
  166    H    HIS  21           H        HIS  21  -1.984  -9.520  -5.203
  167    HA   HIS  21           HA       HIS  21   0.218 -11.184  -6.167
  168    HB2  HIS  21           HB2      HIS  21  -0.190 -12.516  -4.430
  169    HB3  HIS  21           HB3      HIS  21  -1.044 -11.108  -3.810
  170    HD2  HIS  21           HD2      HIS  21  -3.851 -11.181  -4.254
  171    HE1  HIS  21           HE1      HIS  21  -4.039 -15.439  -4.332
  172    HE2  HIS  21           HE2      HIS  21  -5.408 -13.305  -4.098
  173    H    ILE  22           H        ILE  22  -2.864 -10.518  -7.478
  174    HA   ILE  22           HA       ILE  22  -3.198 -13.064  -8.882
  175    HB   ILE  22           HB       ILE  22  -4.495 -10.368  -9.428
  176   HG12  ILE  22          HG12      ILE  22  -4.946 -10.929  -7.095
  177   HG13  ILE  22          HG13      ILE  22  -6.400 -10.994  -8.093
  178   HG21  ILE  22          HG21      ILE  22  -6.323 -11.754 -10.398
  179   HG22  ILE  22          HG22      ILE  22  -4.794 -11.855 -11.275
  180   HG23  ILE  22          HG23      ILE  22  -5.285 -13.188 -10.208
  181   HD11  ILE  22          HD11      ILE  22  -4.815 -13.422  -7.141
  182   HD12  ILE  22          HD12      ILE  22  -6.329 -12.808  -6.440
  183   HD13  ILE  22          HD13      ILE  22  -6.324 -13.460  -8.086
  184    H    THR  23           H        THR  23  -2.012  -9.786  -9.565
  185    HA   THR  23           HA       THR  23  -1.257 -10.537 -12.336
  186    HB   THR  23           HB       THR  23  -1.577  -8.317 -12.988
  187    HG1  THR  23           HG1      THR  23  -2.257  -6.840 -11.209
  188   HG21  THR  23          HG21      THR  23  -3.730  -9.557 -12.483
  189   HG22  THR  23          HG22      THR  23  -3.783  -8.698 -10.925
  190   HG23  THR  23          HG23      THR  23  -3.844  -7.788 -12.447
  191    H    ASN  24           H        ASN  24   0.316  -9.950  -9.446
  192    HA   ASN  24           HA       ASN  24   2.363  -9.521  -8.761
  193    HB2  ASN  24           HB2      ASN  24   3.315 -10.110 -11.582
  194    HB3  ASN  24           HB3      ASN  24   4.328 -10.009 -10.135
  195   HD21  ASN  24          HD21      ASN  24   2.877 -12.215 -12.127
  196   HD22  ASN  24          HD22      ASN  24   2.748 -13.537 -10.964
  197    H    ALA  25           H        ALA  25   0.673  -7.313 -10.179
  198    HA   ALA  25           HA       ALA  25   2.588  -5.219 -10.760
  199    HB1  ALA  25           HB1      ALA  25  -0.330  -5.043  -9.897
  200    HB2  ALA  25           HB2      ALA  25   0.629  -3.750 -10.639
  201    HB3  ALA  25           HB3      ALA  25   0.246  -5.208 -11.574
  202    H    SER  26           H        SER  26   2.871  -3.242  -9.451
  203    HA   SER  26           HA       SER  26   2.354  -3.411  -6.578
  204    HB2  SER  26           HB2      SER  26   4.677  -2.961  -5.910
  205    HB3  SER  26           HB3      SER  26   4.465  -4.556  -6.633
  206    HG   SER  26           HG       SER  26   6.311  -3.499  -7.455
  207    H    GLN  27           H        GLN  27   2.533  -1.502  -5.429
  208    HA   GLN  27           HA       GLN  27   2.970   1.052  -6.880
  209    HB2  GLN  27           HB2      GLN  27   0.350   0.139  -5.633
  210    HB3  GLN  27           HB3      GLN  27   0.803   1.845  -5.680
  211    HG2  GLN  27           HG2      GLN  27   0.935   1.854  -8.075
  212    HG3  GLN  27           HG3      GLN  27   0.572   0.117  -8.153
  213   HE21  GLN  27          HE21      GLN  27  -1.185   2.232  -5.811
  214   HE22  GLN  27          HE22      GLN  27  -2.669   2.229  -6.769
  215    H    PHE  28           H        PHE  28   3.681   2.707  -5.618
  216    HA   PHE  28           HA       PHE  28   4.094   2.210  -2.738
  217    HB2  PHE  28           HB2      PHE  28   5.997   3.108  -3.644
  218    HB3  PHE  28           HB3      PHE  28   5.112   4.262  -4.650
  219    HD1  PHE  28           HD1      PHE  28   6.325   3.588  -1.204
  220    HD2  PHE  28           HD2      PHE  28   4.345   6.399  -3.813
  221    HE1  PHE  28           HE1      PHE  28   6.600   5.373   0.504
  222    HE2  PHE  28           HE2      PHE  28   4.600   8.173  -2.098
  223    HZ   PHE  28           HZ       PHE  28   5.737   7.667   0.061
  224    H    GLU  29           H        GLU  29   1.977   4.120  -4.737
  225    HA   GLU  29           HA       GLU  29   0.702   5.431  -2.422
  226    HB2  GLU  29           HB2      GLU  29   1.054   6.704  -4.446
  227    HB3  GLU  29           HB3      GLU  29   0.121   5.533  -5.402
  228    HG2  GLU  29           HG2      GLU  29  -1.919   6.084  -4.156
  229    HG3  GLU  29           HG3      GLU  29  -1.009   7.150  -3.080
  230    H    ARG  30           H        ARG  30  -1.181   4.890  -1.532
  231    HA   ARG  30           HA       ARG  30  -2.054   2.248  -1.459
  232    HB2  ARG  30           HB2      ARG  30  -2.314   3.626   0.414
  233    HB3  ARG  30           HB3      ARG  30  -3.147   4.878  -0.490
  234    HG2  ARG  30           HG2      ARG  30  -4.593   3.733   1.098
  235    HG3  ARG  30           HG3      ARG  30  -5.177   3.658  -0.572
  236    HD2  ARG  30           HD2      ARG  30  -3.754   1.269  -0.259
  237    HD3  ARG  30           HD3      ARG  30  -4.452   1.502   1.330
  238    HE   ARG  30           HE       ARG  30  -5.887   1.175  -1.272
  239   HH11  ARG  30          HH11      ARG  30  -7.957   0.815  -1.352
  240   HH12  ARG  30          HH12      ARG  30  -8.889   0.532   0.119
  241   HH21  ARG  30          HH21      ARG  30  -6.317   1.432   2.214
  242   HH22  ARG  30          HH22      ARG  30  -8.020   1.065   2.066
  243    HA   PRO  31           HA       PRO  31  -4.536   2.139  -5.229
  244    HB2  PRO  31           HB2      PRO  31  -5.406  -0.480  -5.081
  245    HB3  PRO  31           HB3      PRO  31  -3.767   0.011  -5.605
  246    HG2  PRO  31           HG2      PRO  31  -4.626  -0.864  -2.816
  247    HG3  PRO  31           HG3      PRO  31  -3.235  -1.448  -3.789
  248    HD2  PRO  31           HD2      PRO  31  -2.907   0.418  -1.923
  249    HD3  PRO  31           HD3      PRO  31  -2.063   0.588  -3.490
  250    H    SER  32           H        SER  32  -6.472   3.075  -5.404
  251    HA   SER  32           HA       SER  32  -8.428   3.010  -3.238
  252    HB2  SER  32           HB2      SER  32  -9.588   4.697  -4.612
  253    HB3  SER  32           HB3      SER  32  -7.886   5.097  -4.334
  254    HG   SER  32           HG       SER  32  -8.516   5.395  -6.522
  255    H    GLY  33           H        GLY  33  -8.063   1.205  -6.166
  256    HA2  GLY  33           HA2      GLY  33 -10.382  -0.438  -5.770
  257    HA3  GLY  33           HA3      GLY  33 -10.701   0.756  -7.028
  258    H1B  XYP 101           H1       XYP  34  13.144   1.956   1.706
  259    H2B  XYP 101           H2       XYP  34  15.932   2.130   0.428
  260    H3B  XYP 101           H3       XYP  34  13.305   3.436  -0.441
  261    H4B  XYP 101           H4       XYP  34  14.881   1.192  -1.801
  262   H5B1  XYP 101          H5E       XYP  34  13.006  -0.284  -1.210
  263   H5B2  XYP 101          H5A       XYP  34  12.161   1.049  -0.397
  264   HO2B  XYP 101          H2O       XYP  34  15.532   4.412   0.866
  265   HO3B  XYP 101          H3O       XYP  34  14.666   3.902  -2.324
  266   HO4B  XYP 101          H4O       XYP  34  13.070   1.260  -3.229
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -12.143  -1.854   4.119
    2    H2   LYS   1           H2       LYS   1 -11.240  -3.004   3.389
    3    H3   LYS   1           H3       LYS   1 -12.357  -2.166   2.531
    4    HA   LYS   1           HA       LYS   1 -11.175  -0.116   2.811
    5    HB2  LYS   1           HB2      LYS   1 -10.151  -0.498   4.958
    6    HB3  LYS   1           HB3      LYS   1  -9.169  -1.823   4.327
    7    HG2  LYS   1           HG2      LYS   1  -7.941  -0.234   2.857
    8    HG3  LYS   1           HG3      LYS   1  -8.946   1.096   3.461
    9    HD2  LYS   1           HD2      LYS   1  -8.019   0.842   5.695
   10    HD3  LYS   1           HD3      LYS   1  -7.158  -0.641   5.221
   11    HE2  LYS   1           HE2      LYS   1  -5.808   0.608   3.590
   12    HE3  LYS   1           HE3      LYS   1  -6.696   2.097   3.958
   13    HZ1  LYS   1           HZ1      LYS   1  -5.028   0.609   5.912
   14    HZ2  LYS   1           HZ2      LYS   1  -4.591   1.998   5.166
   15    HZ3  LYS   1           HZ3      LYS   1  -5.834   1.996   6.223
   16    H    LEU   2           H        LEU   2  -8.948  -2.910   2.309
   17    HA   LEU   2           HA       LEU   2  -7.883  -1.602   0.001
   18    HB2  LEU   2           HB2      LEU   2  -6.686  -2.914   1.806
   19    HB3  LEU   2           HB3      LEU   2  -7.297  -4.390   1.038
   20    HG   LEU   2           HG       LEU   2  -6.034  -3.673  -1.047
   21   HD11  LEU   2          HD11      LEU   2  -4.211  -2.007  -0.718
   22   HD12  LEU   2          HD12      LEU   2  -5.789  -1.237  -0.561
   23   HD13  LEU   2          HD13      LEU   2  -4.851  -1.622   0.898
   24   HD21  LEU   2          HD21      LEU   2  -5.113  -5.313   0.545
   25   HD22  LEU   2          HD22      LEU   2  -3.828  -4.303  -0.143
   26   HD23  LEU   2          HD23      LEU   2  -4.409  -3.999   1.510
   27    HA   PRO   3           HA       PRO   3 -10.473  -3.511  -3.042
   28    HB2  PRO   3           HB2      PRO   3  -8.303  -3.329  -5.072
   29    HB3  PRO   3           HB3      PRO   3  -9.922  -2.570  -5.069
   30    HG2  PRO   3           HG2      PRO   3  -7.648  -1.133  -4.607
   31    HG3  PRO   3           HG3      PRO   3  -9.183  -0.773  -3.753
   32    HD2  PRO   3           HD2      PRO   3  -6.814  -2.381  -2.727
   33    HD3  PRO   3           HD3      PRO   3  -7.758  -1.094  -1.934
   34    HA   PRO   4           HA       PRO   4  -9.618  -7.850  -3.666
   35    HB2  PRO   4           HB2      PRO   4 -10.433  -7.466  -6.550
   36    HB3  PRO   4           HB3      PRO   4 -10.951  -8.731  -5.387
   37    HG2  PRO   4           HG2      PRO   4 -12.578  -6.635  -5.911
   38    HG3  PRO   4           HG3      PRO   4 -12.348  -7.175  -4.214
   39    HD2  PRO   4           HD2      PRO   4 -11.001  -4.870  -5.653
   40    HD3  PRO   4           HD3      PRO   4 -11.749  -4.911  -4.024
   41    H    GLY   5           H        GLY   5  -7.927  -9.152  -4.213
   42    HA2  GLY   5           HA2      GLY   5  -6.043  -9.966  -5.244
   43    HA3  GLY   5           HA3      GLY   5  -6.181  -8.708  -6.487
   44    H    TRP   6           H        TRP   6  -6.094  -6.601  -4.179
   45    HA   TRP   6           HA       TRP   6  -3.173  -6.378  -4.066
   46    HB2  TRP   6           HB2      TRP   6  -5.382  -4.586  -3.067
   47    HB3  TRP   6           HB3      TRP   6  -3.673  -4.260  -2.828
   48    HD1  TRP   6           HD1      TRP   6  -6.353  -4.265  -5.486
   49    HE1  TRP   6           HE1      TRP   6  -5.554  -3.011  -7.581
   50    HE3  TRP   6           HE3      TRP   6  -1.401  -3.844  -4.293
   51    HZ2  TRP   6           HZ2      TRP   6  -3.014  -2.219  -8.719
   52    HZ3  TRP   6           HZ3      TRP   6   0.211  -2.882  -5.944
   53    HH2  TRP   6           HH2      TRP   6  -0.585  -2.087  -8.150
   54    H    GLU   7           H        GLU   7  -1.849  -6.349  -2.292
   55    HA   GLU   7           HA       GLU   7  -2.946  -6.722   0.419
   56    HB2  GLU   7           HB2      GLU   7  -2.455  -9.010  -0.670
   57    HB3  GLU   7           HB3      GLU   7  -0.750  -8.544  -0.634
   58    HG2  GLU   7           HG2      GLU   7  -0.871  -8.298   1.831
   59    HG3  GLU   7           HG3      GLU   7  -2.606  -8.625   1.793
   60    H    LYS   8           H        LYS   8  -1.568  -5.878   2.034
   61    HA   LYS   8           HA       LYS   8   0.338  -3.869   1.174
   62    HB2  LYS   8           HB2      LYS   8  -0.638  -4.808   3.879
   63    HB3  LYS   8           HB3      LYS   8   0.739  -3.698   3.727
   64    HG2  LYS   8           HG2      LYS   8  -0.572  -2.137   2.402
   65    HG3  LYS   8           HG3      LYS   8  -1.975  -3.226   2.428
   66    HD2  LYS   8           HD2      LYS   8  -2.409  -1.514   4.011
   67    HD3  LYS   8           HD3      LYS   8  -1.998  -2.957   4.961
   68    HE2  LYS   8           HE2      LYS   8   0.362  -2.098   5.159
   69    HE3  LYS   8           HE3      LYS   8  -0.112  -0.655   4.253
   70    HZ1  LYS   8           HZ1      LYS   8  -1.248  -1.469   6.877
   71    HZ2  LYS   8           HZ2      LYS   8  -0.155  -0.277   6.657
   72    HZ3  LYS   8           HZ3      LYS   8  -1.661  -0.119   6.049
   73    H    ARG   9           H        ARG   9   2.435  -3.669   1.475
   74    HA   ARG   9           HA       ARG   9   4.203  -5.989   2.138
   75    HB2  ARG   9           HB2      ARG   9   3.717  -4.724  -0.517
   76    HB3  ARG   9           HB3      ARG   9   5.393  -4.667  -0.038
   77    HG2  ARG   9           HG2      ARG   9   4.841  -6.614  -1.449
   78    HG3  ARG   9           HG3      ARG   9   5.564  -7.063   0.116
   79    HD2  ARG   9           HD2      ARG   9   3.466  -7.723   1.015
   80    HD3  ARG   9           HD3      ARG   9   2.561  -6.993  -0.338
   81    HE   ARG   9           HE       ARG   9   4.216  -8.981  -1.454
   82   HH11  ARG   9          HH11      ARG   9   3.360 -11.015  -1.970
   83   HH12  ARG   9          HH12      ARG   9   1.962 -11.599  -1.100
   84   HH21  ARG   9          HH21      ARG   9   1.621  -8.825   0.862
   85   HH22  ARG   9          HH22      ARG   9   0.907 -10.344   0.352
   86    H    MET  10           H        MET  10   6.493  -5.334   2.384
   87    HA   MET  10           HA       MET  10   7.005  -2.504   2.914
   88    HB2  MET  10           HB2      MET  10   5.829  -3.356   4.987
   89    HB3  MET  10           HB3      MET  10   7.181  -4.486   5.216
   90    HG2  MET  10           HG2      MET  10   8.726  -2.493   5.336
   91    HG3  MET  10           HG3      MET  10   7.307  -1.446   5.165
   92    HE1  MET  10           HE1      MET  10   9.498  -3.650   7.436
   93    HE2  MET  10           HE2      MET  10   8.504  -3.913   8.886
   94    HE3  MET  10           HE3      MET  10   8.083  -4.726   7.366
   95    H    PHE  11           H        PHE  11   9.078  -1.964   2.718
   96    HA   PHE  11           HA       PHE  11  11.111  -3.879   1.961
   97    HB2  PHE  11           HB2      PHE  11  11.117  -0.893   2.379
   98    HB3  PHE  11           HB3      PHE  11  12.582  -1.799   1.996
   99    HD1  PHE  11           HD1      PHE  11  12.667  -3.229  -0.127
  100    HD2  PHE  11           HD2      PHE  11   9.652  -0.229   0.598
  101    HE1  PHE  11           HE1      PHE  11  12.183  -3.122  -2.562
  102    HE2  PHE  11           HE2      PHE  11   9.183  -0.115  -1.837
  103    HZ   PHE  11           HZ       PHE  11  10.444  -1.563  -3.419
  104    H    ALA  12           H        ALA  12  13.252  -4.095   2.893
  105    HA   ALA  12           HA       ALA  12  13.219  -4.861   5.624
  106    HB1  ALA  12           HB1      ALA  12  15.571  -4.217   3.789
  107    HB2  ALA  12           HB2      ALA  12  15.645  -5.164   5.290
  108    HB3  ALA  12           HB3      ALA  12  14.730  -5.782   3.903
  109    H    ASN  13           H        ASN  13  13.834  -1.705   4.242
  110    HA   ASN  13           HA       ASN  13  15.024  -0.594   6.689
  111    HB2  ASN  13           HB2      ASN  13  15.141   1.488   5.426
  112    HB3  ASN  13           HB3      ASN  13  15.811   0.135   4.506
  113   HD21  ASN  13          HD21      ASN  13  15.591   1.478   2.659
  114    H    GLY  14           H        GLY  14  11.878  -1.440   6.032
  115    HA2  GLY  14           HA2      GLY  14  10.060  -1.060   7.430
  116    HA3  GLY  14           HA3      GLY  14  10.825   0.390   8.098
  117    H    THR  15           H        THR  15  10.661   0.232   4.598
  118    HA   THR  15           HA       THR  15   8.634   2.397   4.554
  119    HB   THR  15           HB       THR  15  10.406   1.225   2.377
  120    HG1  THR  15           HG1      THR  15  11.673   2.254   3.683
  121   HG21  THR  15          HG21      THR  15   9.873   3.297   1.138
  122   HG22  THR  15          HG22      THR  15   8.470   2.241   1.341
  123   HG23  THR  15          HG23      THR  15   8.638   3.695   2.361
  124    H    VAL  16           H        VAL  16   6.547   2.040   4.036
  125    HA   VAL  16           HA       VAL  16   5.688  -0.695   3.314
  126    HB   VAL  16           HB       VAL  16   4.220   1.767   4.325
  127   HG11  VAL  16          HG11      VAL  16   2.617   0.480   3.001
  128   HG12  VAL  16          HG12      VAL  16   3.099  -1.021   3.830
  129   HG13  VAL  16          HG13      VAL  16   2.280   0.284   4.719
  130   HG21  VAL  16          HG21      VAL  16   4.870  -0.894   5.668
  131   HG22  VAL  16          HG22      VAL  16   5.673   0.655   6.006
  132   HG23  VAL  16          HG23      VAL  16   3.962   0.449   6.393
  133    H    TYR  17           H        TYR  17   4.469  -1.230   1.570
  134    HA   TYR  17           HA       TYR  17   3.507   0.733  -0.380
  135    HB2  TYR  17           HB2      TYR  17   4.764  -0.092  -2.252
  136    HB3  TYR  17           HB3      TYR  17   5.893   0.436  -1.016
  137    HD1  TYR  17           HD1      TYR  17   7.189  -1.274   0.323
  138    HD2  TYR  17           HD2      TYR  17   4.771  -2.339  -3.094
  139    HE1  TYR  17           HE1      TYR  17   8.496  -3.374   0.041
  140    HE2  TYR  17           HE2      TYR  17   6.056  -4.454  -3.347
  141    HH   TYR  17           HH       TYR  17   8.828  -5.237  -1.225
  142    H    TYR  18           H        TYR  18   2.773  -0.832  -2.409
  143    HA   TYR  18           HA       TYR  18   1.060  -2.959  -1.217
  144    HB2  TYR  18           HB2      TYR  18   0.335  -0.786  -3.201
  145    HB3  TYR  18           HB3      TYR  18  -0.698  -2.151  -2.758
  146    HD1  TYR  18           HD1      TYR  18   0.744   1.049  -1.587
  147    HD2  TYR  18           HD2      TYR  18  -1.761  -2.315  -0.572
  148    HE1  TYR  18           HE1      TYR  18  -0.048   2.262   0.411
  149    HE2  TYR  18           HE2      TYR  18  -2.635  -1.057   1.379
  150    HH   TYR  18           HH       TYR  18  -1.421   2.194   2.251
  151    H    PHE  19           H        PHE  19   0.579  -4.766  -2.348
  152    HA   PHE  19           HA       PHE  19   1.756  -5.126  -5.044
  153    HB2  PHE  19           HB2      PHE  19   3.442  -5.959  -3.658
  154    HB3  PHE  19           HB3      PHE  19   2.273  -6.763  -2.603
  155    HD1  PHE  19           HD1      PHE  19   4.117  -7.007  -5.774
  156    HD2  PHE  19           HD2      PHE  19   1.248  -8.943  -3.187
  157    HE1  PHE  19           HE1      PHE  19   4.451  -9.140  -6.992
  158    HE2  PHE  19           HE2      PHE  19   1.646 -11.081  -4.363
  159    HZ   PHE  19           HZ       PHE  19   3.226 -11.188  -6.281
  160    H    ASN  20           H        ASN  20   0.650  -6.278  -6.521
  161    HA   ASN  20           HA       ASN  20  -2.008  -7.317  -5.658
  162    HB2  ASN  20           HB2      ASN  20  -1.897  -5.550  -7.427
  163    HB3  ASN  20           HB3      ASN  20  -1.046  -6.708  -8.468
  164   HD21  ASN  20          HD21      ASN  20  -5.027  -6.866  -8.338
  165   HD22  ASN  20          HD22      ASN  20  -4.090  -5.494  -7.748
  166    H    HIS  21           H        HIS  21  -2.090  -9.436  -5.251
  167    HA   HIS  21           HA       HIS  21   0.091 -11.171  -6.135
  168    HB2  HIS  21           HB2      HIS  21  -0.404 -12.455  -4.390
  169    HB3  HIS  21           HB3      HIS  21  -1.278 -11.039  -3.823
  170    HD2  HIS  21           HD2      HIS  21  -4.056 -11.099  -4.340
  171    HE1  HIS  21           HE1      HIS  21  -4.274 -15.354  -4.476
  172    HE2  HIS  21           HE2      HIS  21  -5.633 -13.212  -4.260
  173    H    ILE  22           H        ILE  22  -2.904 -10.394  -7.564
  174    HA   ILE  22           HA       ILE  22  -3.289 -12.937  -8.962
  175    HB   ILE  22           HB       ILE  22  -4.440 -10.192  -9.590
  176   HG12  ILE  22          HG12      ILE  22  -5.020 -10.676  -7.275
  177   HG13  ILE  22          HG13      ILE  22  -6.433 -10.730  -8.330
  178   HG21  ILE  22          HG21      ILE  22  -6.284 -11.507 -10.621
  179   HG22  ILE  22          HG22      ILE  22  -4.724 -11.695 -11.426
  180   HG23  ILE  22          HG23      ILE  22  -5.326 -12.985 -10.363
  181   HD11  ILE  22          HD11      ILE  22  -6.427 -13.195  -8.263
  182   HD12  ILE  22          HD12      ILE  22  -4.955 -13.178  -7.261
  183   HD13  ILE  22          HD13      ILE  22  -6.474 -12.508  -6.631
  184    H    THR  23           H        THR  23  -1.940  -9.717  -9.617
  185    HA   THR  23           HA       THR  23  -1.090 -10.523 -12.343
  186    HB   THR  23           HB       THR  23  -1.231  -8.280 -12.998
  187    HG1  THR  23           HG1      THR  23  -1.930  -6.782 -11.235
  188   HG21  THR  23          HG21      THR  23  -3.568  -8.546 -11.063
  189   HG22  THR  23          HG22      THR  23  -3.491  -7.623 -12.575
  190   HG23  THR  23          HG23      THR  23  -3.476  -9.394 -12.625
  191    H    ASN  24           H        ASN  24   0.362 -10.005  -9.370
  192    HA   ASN  24           HA       ASN  24   2.392  -9.698  -8.575
  193    HB2  ASN  24           HB2      ASN  24   3.461 -10.379 -11.331
  194    HB3  ASN  24           HB3      ASN  24   4.395 -10.328  -9.830
  195   HD21  ASN  24          HD21      ASN  24   2.948 -12.464 -11.886
  196   HD22  ASN  24          HD22      ASN  24   2.657 -13.760 -10.721
  197    H    ALA  25           H        ALA  25   0.927  -7.409 -10.112
  198    HA   ALA  25           HA       ALA  25   3.016  -5.454 -10.600
  199    HB1  ALA  25           HB1      ALA  25   0.050  -5.092  -9.993
  200    HB2  ALA  25           HB2      ALA  25   1.141  -3.869 -10.675
  201    HB3  ALA  25           HB3      ALA  25   0.757  -5.327 -11.610
  202    H    SER  26           H        SER  26   3.355  -3.485  -9.313
  203    HA   SER  26           HA       SER  26   2.500  -3.465  -6.521
  204    HB2  SER  26           HB2      SER  26   4.796  -3.225  -5.599
  205    HB3  SER  26           HB3      SER  26   4.451  -4.831  -6.241
  206    HG   SER  26           HG       SER  26   5.901  -2.771  -7.579
  207    H    GLN  27           H        GLN  27   2.731  -1.492  -5.444
  208    HA   GLN  27           HA       GLN  27   3.855   0.844  -6.809
  209    HB2  GLN  27           HB2      GLN  27   1.795   2.050  -7.079
  210    HB3  GLN  27           HB3      GLN  27   1.661   0.514  -7.938
  211    HG2  GLN  27           HG2      GLN  27   0.298  -0.409  -6.072
  212    HG3  GLN  27           HG3      GLN  27   0.445   1.117  -5.213
  213   HE21  GLN  27          HE21      GLN  27  -1.481   2.182  -5.327
  214   HE22  GLN  27          HE22      GLN  27  -2.460   2.323  -6.802
  215    H    PHE  28           H        PHE  28   3.942   2.735  -5.464
  216    HA   PHE  28           HA       PHE  28   3.891   2.162  -2.600
  217    HB2  PHE  28           HB2      PHE  28   5.805   3.244  -3.182
  218    HB3  PHE  28           HB3      PHE  28   4.978   4.381  -4.253
  219    HD1  PHE  28           HD1      PHE  28   5.788   3.633  -0.712
  220    HD2  PHE  28           HD2      PHE  28   3.931   6.413  -3.441
  221    HE1  PHE  28           HE1      PHE  28   5.702   5.344   1.085
  222    HE2  PHE  28           HE2      PHE  28   3.834   8.117  -1.639
  223    HZ   PHE  28           HZ       PHE  28   4.725   7.588   0.627
  224    H    GLU  29           H        GLU  29   1.935   4.251  -4.664
  225    HA   GLU  29           HA       GLU  29   0.484   5.429  -2.470
  226    HB2  GLU  29           HB2      GLU  29   0.671   6.660  -4.482
  227    HB3  GLU  29           HB3      GLU  29   0.114   5.313  -5.461
  228    HG2  GLU  29           HG2      GLU  29  -1.541   7.027  -5.429
  229    HG3  GLU  29           HG3      GLU  29  -2.168   5.576  -4.671
  230    H    ARG  30           H        ARG  30  -1.588   5.057  -1.709
  231    HA   ARG  30           HA       ARG  30  -2.248   2.328  -1.369
  232    HB2  ARG  30           HB2      ARG  30  -2.567   3.793   0.360
  233    HB3  ARG  30           HB3      ARG  30  -3.640   4.857  -0.548
  234    HG2  ARG  30           HG2      ARG  30  -4.421   1.961  -0.080
  235    HG3  ARG  30           HG3      ARG  30  -4.575   3.133   1.240
  236    HD2  ARG  30           HD2      ARG  30  -6.383   4.144   0.365
  237    HD3  ARG  30           HD3      ARG  30  -5.709   4.193  -1.251
  238    HE   ARG  30           HE       ARG  30  -6.538   2.034  -1.755
  239   HH11  ARG  30          HH11      ARG  30  -7.801   3.069   1.366
  240   HH12  ARG  30          HH12      ARG  30  -9.229   2.083   1.158
  241   HH21  ARG  30          HH21      ARG  30  -8.314   0.935  -1.939
  242   HH22  ARG  30          HH22      ARG  30  -9.413   0.726  -0.572
  243    HA   PRO  31           HA       PRO  31  -4.226   1.591  -5.218
  244    HB2  PRO  31           HB2      PRO  31  -5.441  -0.826  -3.894
  245    HB3  PRO  31           HB3      PRO  31  -4.527  -0.709  -5.429
  246    HG2  PRO  31           HG2      PRO  31  -3.383  -1.634  -3.124
  247    HG3  PRO  31           HG3      PRO  31  -2.463  -0.577  -4.258
  248    HD2  PRO  31           HD2      PRO  31  -3.853   0.132  -1.670
  249    HD3  PRO  31           HD3      PRO  31  -2.275   0.652  -2.342
  250    H    SER  32           H        SER  32  -5.999   2.366  -6.221
  251    HA   SER  32           HA       SER  32  -8.577   2.663  -4.815
  252    HB2  SER  32           HB2      SER  32  -9.238   3.881  -6.854
  253    HB3  SER  32           HB3      SER  32  -7.765   4.531  -6.115
  254    HG   SER  32           HG       SER  32  -7.579   4.301  -8.392
  255    H    GLY  33           H        GLY  33  -7.150   0.553  -7.228
  256    HA2  GLY  33           HA2      GLY  33  -8.859  -1.607  -7.085
  257    HA3  GLY  33           HA3      GLY  33  -9.646  -0.558  -8.264
  258    H1B  XYP 101           H1       XYP  34  12.892   2.285   1.822
  259    H2B  XYP 101           H2       XYP  34  15.628   2.688   0.484
  260    H3B  XYP 101           H3       XYP  34  12.917   3.930  -0.200
  261    H4B  XYP 101           H4       XYP  34  14.548   1.880  -1.781
  262   H5B1  XYP 101          H5E       XYP  34  12.767   0.270  -1.254
  263   H5B2  XYP 101          H5A       XYP  34  11.887   1.492  -0.313
  264   HO2B  XYP 101          H2O       XYP  34  15.140   4.909   1.113
  265   HO3B  XYP 101          H3O       XYP  34  14.189   4.610  -2.078
  266   HO4B  XYP 101          H4O       XYP  34  12.691   1.971  -3.145
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1 -12.591  -2.279   3.843
    2    H2   LYS   1           H2       LYS   1 -11.790  -3.358   2.912
    3    H3   LYS   1           H3       LYS   1 -12.694  -2.182   2.216
    4    HA   LYS   1           HA       LYS   1 -11.270  -0.461   3.048
    5    HB2  LYS   1           HB2      LYS   1 -10.541  -1.551   5.104
    6    HB3  LYS   1           HB3      LYS   1  -9.632  -2.755   4.190
    7    HG2  LYS   1           HG2      LYS   1  -8.175  -0.894   3.278
    8    HG3  LYS   1           HG3      LYS   1  -9.070   0.242   4.304
    9    HD2  LYS   1           HD2      LYS   1  -8.295  -0.977   6.322
   10    HD3  LYS   1           HD3      LYS   1  -7.530  -2.201   5.301
   11    HE2  LYS   1           HE2      LYS   1  -5.795  -0.748   6.055
   12    HE3  LYS   1           HE3      LYS   1  -6.035  -0.452   4.329
   13    HZ1  LYS   1           HZ1      LYS   1  -5.838   1.622   5.591
   14    HZ2  LYS   1           HZ2      LYS   1  -7.330   1.536   4.935
   15    HZ3  LYS   1           HZ3      LYS   1  -7.116   1.238   6.529
   16    H    LEU   2           H        LEU   2  -9.344  -3.350   2.078
   17    HA   LEU   2           HA       LEU   2  -8.172  -1.754  -0.067
   18    HB2  LEU   2           HB2      LEU   2  -6.986  -3.114   1.787
   19    HB3  LEU   2           HB3      LEU   2  -7.451  -4.547   0.857
   20    HG   LEU   2           HG       LEU   2  -6.170  -3.530  -1.110
   21   HD11  LEU   2          HD11      LEU   2  -6.071  -1.161  -0.328
   22   HD12  LEU   2          HD12      LEU   2  -5.143  -1.674   1.098
   23   HD13  LEU   2          HD13      LEU   2  -4.456  -1.838  -0.534
   24   HD21  LEU   2          HD21      LEU   2  -4.640  -4.073   1.470
   25   HD22  LEU   2          HD22      LEU   2  -5.253  -5.301   0.347
   26   HD23  LEU   2          HD23      LEU   2  -3.978  -4.183  -0.181
   27    HA   PRO   3           HA       PRO   3 -10.686  -3.728  -3.158
   28    HB2  PRO   3           HB2      PRO   3  -9.272  -3.179  -5.482
   29    HB3  PRO   3           HB3      PRO   3 -10.265  -1.994  -4.577
   30    HG2  PRO   3           HG2      PRO   3  -7.272  -2.431  -4.402
   31    HG3  PRO   3           HG3      PRO   3  -8.161  -0.892  -4.557
   32    HD2  PRO   3           HD2      PRO   3  -7.272  -1.777  -2.172
   33    HD3  PRO   3           HD3      PRO   3  -8.868  -0.978  -2.329
   34    HA   PRO   4           HA       PRO   4  -9.533  -7.840  -3.906
   35    HB2  PRO   4           HB2      PRO   4 -10.290  -7.521  -6.816
   36    HB3  PRO   4           HB3      PRO   4 -10.747  -8.820  -5.665
   37    HG2  PRO   4           HG2      PRO   4 -12.495  -6.832  -6.200
   38    HG3  PRO   4           HG3      PRO   4 -12.243  -7.352  -4.499
   39    HD2  PRO   4           HD2      PRO   4 -11.044  -4.967  -5.935
   40    HD3  PRO   4           HD3      PRO   4 -11.789  -5.062  -4.308
   41    H    GLY   5           H        GLY   5  -7.821  -9.100  -4.344
   42    HA2  GLY   5           HA2      GLY   5  -5.906  -9.941  -5.313
   43    HA3  GLY   5           HA3      GLY   5  -5.978  -8.689  -6.568
   44    H    TRP   6           H        TRP   6  -6.038  -6.589  -4.232
   45    HA   TRP   6           HA       TRP   6  -3.134  -6.322  -4.009
   46    HB2  TRP   6           HB2      TRP   6  -5.389  -4.602  -2.982
   47    HB3  TRP   6           HB3      TRP   6  -3.685  -4.237  -2.766
   48    HD1  TRP   6           HD1      TRP   6  -6.428  -4.196  -5.330
   49    HE1  TRP   6           HE1      TRP   6  -5.690  -2.919  -7.438
   50    HE3  TRP   6           HE3      TRP   6  -1.441  -3.830  -4.297
   51    HZ2  TRP   6           HZ2      TRP   6  -3.176  -2.129  -8.649
   52    HZ3  TRP   6           HZ3      TRP   6   0.128  -2.851  -5.983
   53    HH2  TRP   6           HH2      TRP   6  -0.729  -2.023  -8.154
   54    H    GLU   7           H        GLU   7  -1.885  -6.243  -2.196
   55    HA   GLU   7           HA       GLU   7  -3.022  -6.657   0.492
   56    HB2  GLU   7           HB2      GLU   7  -2.440  -8.922  -0.481
   57    HB3  GLU   7           HB3      GLU   7  -0.759  -8.383  -0.606
   58    HG2  GLU   7           HG2      GLU   7  -0.678  -8.060   1.846
   59    HG3  GLU   7           HG3      GLU   7  -2.382  -8.496   1.974
   60    H    LYS   8           H        LYS   8  -1.699  -5.691   2.122
   61    HA   LYS   8           HA       LYS   8   0.212  -3.684   1.229
   62    HB2  LYS   8           HB2      LYS   8  -0.731  -4.576   3.962
   63    HB3  LYS   8           HB3      LYS   8   0.646  -3.473   3.765
   64    HG2  LYS   8           HG2      LYS   8  -0.680  -1.931   2.434
   65    HG3  LYS   8           HG3      LYS   8  -2.076  -3.024   2.494
   66    HD2  LYS   8           HD2      LYS   8  -2.530  -1.312   4.054
   67    HD3  LYS   8           HD3      LYS   8  -2.047  -2.707   5.039
   68    HE2  LYS   8           HE2      LYS   8   0.275  -1.758   5.177
   69    HE3  LYS   8           HE3      LYS   8  -0.248  -0.382   4.193
   70    HZ1  LYS   8           HZ1      LYS   8  -0.294   0.144   6.567
   71    HZ2  LYS   8           HZ2      LYS   8  -1.808   0.207   5.964
   72    HZ3  LYS   8           HZ3      LYS   8  -1.340  -1.071   6.872
   73    H    ARG   9           H        ARG   9   2.340  -3.532   1.516
   74    HA   ARG   9           HA       ARG   9   3.972  -5.966   2.065
   75    HB2  ARG   9           HB2      ARG   9   3.093  -5.705  -0.402
   76    HB3  ARG   9           HB3      ARG   9   4.211  -4.358  -0.513
   77    HG2  ARG   9           HG2      ARG   9   5.216  -6.299  -1.491
   78    HG3  ARG   9           HG3      ARG   9   6.092  -5.965   0.019
   79    HD2  ARG   9           HD2      ARG   9   4.764  -7.752   1.147
   80    HD3  ARG   9           HD3      ARG   9   3.910  -8.073  -0.373
   81    HE   ARG   9           HE       ARG   9   6.680  -8.793   0.359
   82   HH11  ARG   9          HH11      ARG   9   4.407  -8.664  -2.317
   83   HH12  ARG   9          HH12      ARG   9   5.330  -9.796  -3.258
   84   HH21  ARG   9          HH21      ARG   9   7.802 -10.206  -0.909
   85   HH22  ARG   9          HH22      ARG   9   7.196 -10.638  -2.484
   86    H    MET  10           H        MET  10   6.361  -5.434   2.092
   87    HA   MET  10           HA       MET  10   6.971  -2.621   2.781
   88    HB2  MET  10           HB2      MET  10   7.244  -4.865   4.834
   89    HB3  MET  10           HB3      MET  10   7.747  -3.179   5.016
   90    HG2  MET  10           HG2      MET  10   5.833  -3.191   6.230
   91    HG3  MET  10           HG3      MET  10   5.239  -2.607   4.671
   92    HE1  MET  10           HE1      MET  10   3.176  -3.426   6.750
   93    HE2  MET  10           HE2      MET  10   2.743  -3.081   5.059
   94    HE3  MET  10           HE3      MET  10   2.110  -4.537   5.858
   95    H    PHE  11           H        PHE  11   9.022  -2.075   2.682
   96    HA   PHE  11           HA       PHE  11  11.076  -3.900   1.706
   97    HB2  PHE  11           HB2      PHE  11  11.022  -0.953   2.333
   98    HB3  PHE  11           HB3      PHE  11  12.506  -1.798   1.888
   99    HD1  PHE  11           HD1      PHE  11   9.417  -0.331   0.634
  100    HD2  PHE  11           HD2      PHE  11  12.741  -2.895  -0.358
  101    HE1  PHE  11           HE1      PHE  11   8.932  -0.026  -1.783
  102    HE2  PHE  11           HE2      PHE  11  12.249  -2.593  -2.774
  103    HZ   PHE  11           HZ       PHE  11  10.346  -1.157  -3.490
  104    H    ALA  12           H        ALA  12  13.179  -4.214   2.649
  105    HA   ALA  12           HA       ALA  12  13.151  -5.022   5.379
  106    HB1  ALA  12           HB1      ALA  12  15.564  -5.391   5.008
  107    HB2  ALA  12           HB2      ALA  12  14.612  -5.976   3.630
  108    HB3  ALA  12           HB3      ALA  12  15.495  -4.434   3.513
  109    H    ASN  13           H        ASN  13  13.785  -1.877   4.009
  110    HA   ASN  13           HA       ASN  13  15.124  -0.784   6.372
  111    HB2  ASN  13           HB2      ASN  13  15.139   1.297   5.122
  112    HB3  ASN  13           HB3      ASN  13  15.674  -0.037   4.091
  113   HD21  ASN  13          HD21      ASN  13  15.217   1.561   2.387
  114    H    GLY  14           H        GLY  14  11.900  -1.593   5.879
  115    HA2  GLY  14           HA2      GLY  14  10.165  -1.241   7.402
  116    HA3  GLY  14           HA3      GLY  14  10.983   0.184   8.063
  117    H    THR  15           H        THR  15  10.640   0.117   4.577
  118    HA   THR  15           HA       THR  15   8.617   2.290   4.666
  119    HB   THR  15           HB       THR  15  10.297   1.133   2.417
  120    HG1  THR  15           HG1      THR  15  11.520   2.159   3.842
  121   HG21  THR  15          HG21      THR  15   8.314   2.166   1.454
  122   HG22  THR  15          HG22      THR  15   8.606   3.649   2.405
  123   HG23  THR  15          HG23      THR  15   9.755   3.128   1.140
  124    H    VAL  16           H        VAL  16   6.519   2.016   4.080
  125    HA   VAL  16           HA       VAL  16   5.571  -0.673   3.331
  126    HB   VAL  16           HB       VAL  16   4.059   1.808   4.220
  127   HG11  VAL  16          HG11      VAL  16   2.228   0.196   4.736
  128   HG12  VAL  16          HG12      VAL  16   2.561   0.335   3.010
  129   HG13  VAL  16          HG13      VAL  16   3.159  -1.079   3.911
  130   HG21  VAL  16          HG21      VAL  16   3.820   0.651   6.393
  131   HG22  VAL  16          HG22      VAL  16   4.884  -0.648   5.823
  132   HG23  VAL  16          HG23      VAL  16   5.513   0.999   6.037
  133    H    TYR  17           H        TYR  17   4.372  -1.158   1.558
  134    HA   TYR  17           HA       TYR  17   3.415   0.853  -0.341
  135    HB2  TYR  17           HB2      TYR  17   4.636   0.042  -2.238
  136    HB3  TYR  17           HB3      TYR  17   5.796   0.512  -1.009
  137    HD1  TYR  17           HD1      TYR  17   7.018  -1.298   0.310
  138    HD2  TYR  17           HD2      TYR  17   4.616  -2.146  -3.175
  139    HE1  TYR  17           HE1      TYR  17   8.295  -3.399  -0.070
  140    HE2  TYR  17           HE2      TYR  17   5.856  -4.278  -3.509
  141    HH   TYR  17           HH       TYR  17   8.623  -5.188  -1.438
  142    H    TYR  18           H        TYR  18   2.667  -0.747  -2.390
  143    HA   TYR  18           HA       TYR  18   0.941  -2.847  -1.175
  144    HB2  TYR  18           HB2      TYR  18   0.215  -0.714  -3.201
  145    HB3  TYR  18           HB3      TYR  18  -0.807  -2.089  -2.758
  146    HD1  TYR  18           HD1      TYR  18   0.702   1.067  -1.525
  147    HD2  TYR  18           HD2      TYR  18  -1.984  -2.193  -0.645
  148    HE1  TYR  18           HE1      TYR  18  -0.076   2.271   0.493
  149    HE2  TYR  18           HE2      TYR  18  -2.845  -0.940   1.319
  150    HH   TYR  18           HH       TYR  18  -1.487   2.222   2.303
  151    H    PHE  19           H        PHE  19   0.558  -4.700  -2.217
  152    HA   PHE  19           HA       PHE  19   1.813  -5.134  -4.870
  153    HB2  PHE  19           HB2      PHE  19   3.433  -5.919  -3.398
  154    HB3  PHE  19           HB3      PHE  19   2.230  -6.694  -2.358
  155    HD1  PHE  19           HD1      PHE  19   4.021  -6.959  -5.582
  156    HD2  PHE  19           HD2      PHE  19   1.391  -8.955  -2.794
  157    HE1  PHE  19           HE1      PHE  19   4.419  -9.112  -6.743
  158    HE2  PHE  19           HE2      PHE  19   1.865 -11.109  -3.903
  159    HZ   PHE  19           HZ       PHE  19   3.353 -11.202  -5.894
  160    H    ASN  20           H        ASN  20   0.740  -6.212  -6.376
  161    HA   ASN  20           HA       ASN  20  -1.942  -7.280  -5.664
  162    HB2  ASN  20           HB2      ASN  20  -1.696  -5.589  -7.480
  163    HB3  ASN  20           HB3      ASN  20  -0.721  -6.757  -8.396
  164   HD21  ASN  20          HD21      ASN  20  -3.562  -5.476  -8.686
  165   HD22  ASN  20          HD22      ASN  20  -4.543  -6.891  -9.075
  166    H    HIS  21           H        HIS  21  -1.923  -9.376  -5.068
  167    HA   HIS  21           HA       HIS  21   0.323 -11.107  -5.711
  168    HB2  HIS  21           HB2      HIS  21  -0.405 -12.401  -4.032
  169    HB3  HIS  21           HB3      HIS  21  -1.327 -10.971  -3.589
  170    HD2  HIS  21           HD2      HIS  21  -4.005 -11.004  -4.161
  171    HE1  HIS  21           HE1      HIS  21  -4.334 -15.160  -4.983
  172    HE2  HIS  21           HE2      HIS  21  -5.638 -13.040  -4.493
  173    H    ILE  22           H        ILE  22  -2.704 -10.525  -7.287
  174    HA   ILE  22           HA       ILE  22  -2.860 -13.102  -8.624
  175    HB   ILE  22           HB       ILE  22  -4.372 -10.493  -9.085
  176   HG12  ILE  22          HG12      ILE  22  -4.957 -13.002  -7.438
  177   HG13  ILE  22          HG13      ILE  22  -4.728 -11.348  -6.838
  178   HG21  ILE  22          HG21      ILE  22  -4.442 -11.940 -11.087
  179   HG22  ILE  22          HG22      ILE  22  -4.975 -13.310 -10.085
  180   HG23  ILE  22          HG23      ILE  22  -6.008 -11.876 -10.307
  181   HD11  ILE  22          HD11      ILE  22  -7.028 -11.886  -6.678
  182   HD12  ILE  22          HD12      ILE  22  -6.850 -10.680  -7.975
  183   HD13  ILE  22          HD13      ILE  22  -7.121 -12.401  -8.366
  184    H    THR  23           H        THR  23  -1.824  -9.814  -9.439
  185    HA   THR  23           HA       THR  23  -0.953 -10.641 -12.156
  186    HB   THR  23           HB       THR  23  -1.211  -8.421 -12.858
  187    HG1  THR  23           HG1      THR  23  -2.056  -7.042 -10.932
  188   HG21  THR  23          HG21      THR  23  -3.507  -8.801 -10.885
  189   HG22  THR  23          HG22      THR  23  -3.495  -7.835 -12.375
  190   HG23  THR  23          HG23      THR  23  -3.397  -9.603 -12.468
  191    H    ASN  24           H        ASN  24   0.510 -10.051  -9.219
  192    HA   ASN  24           HA       ASN  24   2.538  -9.638  -8.456
  193    HB2  ASN  24           HB2      ASN  24   3.539 -10.379 -11.224
  194    HB3  ASN  24           HB3      ASN  24   4.552 -10.168  -9.791
  195   HD21  ASN  24          HD21      ASN  24   4.561 -11.765  -8.158
  196   HD22  ASN  24          HD22      ASN  24   3.780 -13.327  -8.423
  197    H    ALA  25           H        ALA  25   0.984  -7.422 -10.081
  198    HA   ALA  25           HA       ALA  25   3.009  -5.408 -10.558
  199    HB1  ALA  25           HB1      ALA  25   0.033  -5.116  -9.960
  200    HB2  ALA  25           HB2      ALA  25   1.096  -3.878 -10.656
  201    HB3  ALA  25           HB3      ALA  25   0.748  -5.356 -11.572
  202    H    SER  26           H        SER  26   3.276  -3.410  -9.278
  203    HA   SER  26           HA       SER  26   2.424  -3.401  -6.499
  204    HB2  SER  26           HB2      SER  26   4.664  -3.179  -5.512
  205    HB3  SER  26           HB3      SER  26   4.391  -4.776  -6.211
  206    HG   SER  26           HG       SER  26   5.618  -4.180  -7.994
  207    H    GLN  27           H        GLN  27   2.651  -1.427  -5.422
  208    HA   GLN  27           HA       GLN  27   3.763   0.911  -6.792
  209    HB2  GLN  27           HB2      GLN  27   1.698   2.110  -7.065
  210    HB3  GLN  27           HB3      GLN  27   1.570   0.573  -7.923
  211    HG2  GLN  27           HG2      GLN  27   0.212  -0.351  -6.049
  212    HG3  GLN  27           HG3      GLN  27   0.340   1.187  -5.206
  213   HE21  GLN  27          HE21      GLN  27  -1.581   2.264  -5.358
  214   HE22  GLN  27          HE22      GLN  27  -2.561   2.356  -6.836
  215    H    PHE  28           H        PHE  28   3.894   2.779  -5.439
  216    HA   PHE  28           HA       PHE  28   3.819   2.204  -2.578
  217    HB2  PHE  28           HB2      PHE  28   5.744   3.275  -3.154
  218    HB3  PHE  28           HB3      PHE  28   4.927   4.424  -4.220
  219    HD1  PHE  28           HD1      PHE  28   5.735   3.655  -0.685
  220    HD2  PHE  28           HD2      PHE  28   3.878   6.453  -3.396
  221    HE1  PHE  28           HE1      PHE  28   5.652   5.356   1.123
  222    HE2  PHE  28           HE2      PHE  28   3.782   8.146  -1.584
  223    HZ   PHE  28           HZ       PHE  28   4.674   7.603   0.679
  224    H    GLU  29           H        GLU  29   1.888   4.313  -4.637
  225    HA   GLU  29           HA       GLU  29   0.453   5.519  -2.434
  226    HB2  GLU  29           HB2      GLU  29   0.762   6.641  -4.554
  227    HB3  GLU  29           HB3      GLU  29  -0.144   5.378  -5.411
  228    HG2  GLU  29           HG2      GLU  29  -2.197   5.984  -4.221
  229    HG3  GLU  29           HG3      GLU  29  -1.313   7.145  -3.224
  230    H    ARG  30           H        ARG  30  -1.527   5.054  -1.547
  231    HA   ARG  30           HA       ARG  30  -2.283   2.347  -1.373
  232    HB2  ARG  30           HB2      ARG  30  -2.528   3.855   0.429
  233    HB3  ARG  30           HB3      ARG  30  -3.641   4.895  -0.450
  234    HG2  ARG  30           HG2      ARG  30  -4.347   1.992   0.089
  235    HG3  ARG  30           HG3      ARG  30  -4.513   3.205   1.366
  236    HD2  ARG  30           HD2      ARG  30  -6.374   4.105   0.499
  237    HD3  ARG  30           HD3      ARG  30  -5.715   4.173  -1.120
  238    HE   ARG  30           HE       ARG  30  -6.503   2.005  -1.624
  239   HH11  ARG  30          HH11      ARG  30  -8.962   1.797   1.488
  240   HH12  ARG  30          HH12      ARG  30  -7.590   2.874   1.621
  241   HH21  ARG  30          HH21      ARG  30  -8.209   0.795  -1.699
  242   HH22  ARG  30          HH22      ARG  30  -9.250   0.553  -0.289
  243    HA   PRO  31           HA       PRO  31  -4.480   2.006  -5.168
  244    HB2  PRO  31           HB2      PRO  31  -5.373  -0.586  -5.043
  245    HB3  PRO  31           HB3      PRO  31  -3.655  -0.118  -5.229
  246    HG2  PRO  31           HG2      PRO  31  -5.086  -0.848  -2.654
  247    HG3  PRO  31           HG3      PRO  31  -3.531  -1.487  -3.282
  248    HD2  PRO  31           HD2      PRO  31  -3.612   0.523  -1.479
  249    HD3  PRO  31           HD3      PRO  31  -2.413   0.532  -2.812
  250    H    SER  32           H        SER  32  -6.375   2.734  -5.883
  251    HA   SER  32           HA       SER  32  -8.859   2.512  -4.301
  252    HB2  SER  32           HB2      SER  32  -9.781   3.974  -6.056
  253    HB3  SER  32           HB3      SER  32  -8.323   4.647  -5.308
  254    HG   SER  32           HG       SER  32  -8.290   4.814  -7.596
  255    H    GLY  33           H        GLY  33  -7.363   0.884  -7.001
  256    HA2  GLY  33           HA2      GLY  33  -9.126  -1.318  -7.096
  257    HA3  GLY  33           HA3      GLY  33  -9.676  -0.181  -8.327
  258    H1B  XYP 101           H1       XYP  34  12.308   1.776   1.735
  259    H2B  XYP 101           H2       XYP  34  14.623   3.621   0.951
  260    H3B  XYP 101           H3       XYP  34  11.666   3.902   0.247
  261    H4B  XYP 101           H4       XYP  34  13.951   3.080  -1.611
  262   H5B1  XYP 101          H5E       XYP  34  12.829   0.860  -1.707
  263   H5B2  XYP 101          H5A       XYP  34  11.636   1.402  -0.514
  264   HO2B  XYP 101          H2O       XYP  34  12.342   3.868   2.671
  265   HO3B  XYP 101          H3O       XYP  34  13.017   5.833   0.373
  266   HO4B  XYP 101          H4O       XYP  34  12.120   4.333  -2.419
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -12.421  -2.236   2.065
    2    H2   LYS   1           H2       LYS   1 -12.550  -2.471   3.675
    3    H3   LYS   1           H3       LYS   1 -11.611  -3.468   2.783
    4    HA   LYS   1           HA       LYS   1 -11.153  -0.595   3.235
    5    HB2  LYS   1           HB2      LYS   1 -10.775  -1.937   5.241
    6    HB3  LYS   1           HB3      LYS   1  -9.612  -2.951   4.407
    7    HG2  LYS   1           HG2      LYS   1  -9.224   0.064   4.642
    8    HG3  LYS   1           HG3      LYS   1  -8.835  -1.030   5.963
    9    HD2  LYS   1           HD2      LYS   1  -7.250  -2.273   4.442
   10    HD3  LYS   1           HD3      LYS   1  -7.551  -1.053   3.199
   11    HE2  LYS   1           HE2      LYS   1  -5.509  -0.494   4.283
   12    HE3  LYS   1           HE3      LYS   1  -6.722   0.722   4.706
   13    HZ1  LYS   1           HZ1      LYS   1  -5.902  -1.541   6.456
   14    HZ2  LYS   1           HZ2      LYS   1  -5.438   0.014   6.646
   15    HZ3  LYS   1           HZ3      LYS   1  -7.000  -0.396   6.853
   16    H    LEU   2           H        LEU   2  -9.117  -3.417   2.238
   17    HA   LEU   2           HA       LEU   2  -7.879  -1.741   0.179
   18    HB2  LEU   2           HB2      LEU   2  -6.651  -3.141   1.889
   19    HB3  LEU   2           HB3      LEU   2  -7.258  -4.580   1.050
   20    HG   LEU   2           HG       LEU   2  -6.012  -3.788  -1.001
   21   HD11  LEU   2          HD11      LEU   2  -5.816  -1.357  -0.457
   22   HD12  LEU   2          HD12      LEU   2  -4.863  -1.760   0.983
   23   HD13  LEU   2          HD13      LEU   2  -4.227  -2.090  -0.647
   24   HD21  LEU   2          HD21      LEU   2  -4.384  -4.132   1.546
   25   HD22  LEU   2          HD22      LEU   2  -5.067  -5.437   0.559
   26   HD23  LEU   2          HD23      LEU   2  -3.795  -4.395  -0.117
   27    HA   PRO   3           HA       PRO   3 -10.428  -3.488  -2.992
   28    HB2  PRO   3           HB2      PRO   3  -8.254  -3.242  -5.008
   29    HB3  PRO   3           HB3      PRO   3  -9.858  -2.453  -4.964
   30    HG2  PRO   3           HG2      PRO   3  -7.543  -1.093  -4.424
   31    HG3  PRO   3           HG3      PRO   3  -9.085  -0.733  -3.574
   32    HD2  PRO   3           HD2      PRO   3  -6.754  -2.407  -2.603
   33    HD3  PRO   3           HD3      PRO   3  -7.704  -1.154  -1.758
   34    HA   PRO   4           HA       PRO   4  -9.613  -7.807  -3.736
   35    HB2  PRO   4           HB2      PRO   4 -10.434  -7.346  -6.607
   36    HB3  PRO   4           HB3      PRO   4 -10.959  -8.633  -5.473
   37    HG2  PRO   4           HG2      PRO   4 -12.569  -6.509  -5.942
   38    HG3  PRO   4           HG3      PRO   4 -12.339  -7.093  -4.259
   39    HD2  PRO   4           HD2      PRO   4 -10.977  -4.763  -5.643
   40    HD3  PRO   4           HD3      PRO   4 -11.717  -4.841  -4.012
   41    H    GLY   5           H        GLY   5  -7.929  -9.102  -4.319
   42    HA2  GLY   5           HA2      GLY   5  -6.032  -9.887  -5.350
   43    HA3  GLY   5           HA3      GLY   5  -6.167  -8.608  -6.572
   44    H    TRP   6           H        TRP   6  -6.110  -6.550  -4.200
   45    HA   TRP   6           HA       TRP   6  -3.189  -6.322  -4.086
   46    HB2  TRP   6           HB2      TRP   6  -5.393  -4.541  -3.064
   47    HB3  TRP   6           HB3      TRP   6  -3.683  -4.220  -2.822
   48    HD1  TRP   6           HD1      TRP   6  -6.364  -4.216  -5.478
   49    HE1  TRP   6           HE1      TRP   6  -5.584  -2.937  -7.561
   50    HE3  TRP   6           HE3      TRP   6  -1.416  -3.771  -4.294
   51    HZ2  TRP   6           HZ2      TRP   6  -3.055  -2.101  -8.694
   52    HZ3  TRP   6           HZ3      TRP   6   0.187  -2.750  -5.938
   53    HH2  TRP   6           HH2      TRP   6  -0.627  -1.950  -8.131
   54    H    GLU   7           H        GLU   7  -1.891  -6.258  -2.303
   55    HA   GLU   7           HA       GLU   7  -2.921  -6.907   0.385
   56    HB2  GLU   7           HB2      GLU   7  -2.491  -9.089  -0.563
   57    HB3  GLU   7           HB3      GLU   7  -0.985  -8.548  -1.275
   58    HG2  GLU   7           HG2      GLU   7  -0.546 -10.034   0.547
   59    HG3  GLU   7           HG3      GLU   7   0.118  -8.445   0.868
   60    H    LYS   8           H        LYS   8  -1.627  -6.112   2.063
   61    HA   LYS   8           HA       LYS   8   0.203  -3.953   1.354
   62    HB2  LYS   8           HB2      LYS   8  -0.850  -5.015   3.977
   63    HB3  LYS   8           HB3      LYS   8   0.530  -3.901   3.935
   64    HG2  LYS   8           HG2      LYS   8  -0.752  -2.309   2.563
   65    HG3  LYS   8           HG3      LYS   8  -2.156  -3.394   2.606
   66    HD2  LYS   8           HD2      LYS   8  -2.557  -1.669   4.188
   67    HD3  LYS   8           HD3      LYS   8  -2.153  -3.114   5.138
   68    HE2  LYS   8           HE2      LYS   8   0.203  -2.284   5.352
   69    HE3  LYS   8           HE3      LYS   8  -0.220  -0.858   4.396
   70    HZ1  LYS   8           HZ1      LYS   8  -1.778  -0.221   6.149
   71    HZ2  LYS   8           HZ2      LYS   8  -1.410  -1.552   7.029
   72    HZ3  LYS   8           HZ3      LYS   8  -0.284  -0.398   6.781
   73    H    ARG   9           H        ARG   9   2.283  -3.677   1.717
   74    HA   ARG   9           HA       ARG   9   4.077  -5.974   2.408
   75    HB2  ARG   9           HB2      ARG   9   4.148  -4.169  -0.041
   76    HB3  ARG   9           HB3      ARG   9   5.544  -5.093   0.494
   77    HG2  ARG   9           HG2      ARG   9   2.925  -6.350  -0.298
   78    HG3  ARG   9           HG3      ARG   9   4.309  -6.106  -1.376
   79    HD2  ARG   9           HD2      ARG   9   5.712  -7.435   0.307
   80    HD3  ARG   9           HD3      ARG   9   4.179  -7.884   1.080
   81    HE   ARG   9           HE       ARG   9   3.686  -9.303  -0.696
   82   HH11  ARG   9          HH11      ARG   9   4.153 -10.535  -2.471
   83   HH12  ARG   9          HH12      ARG   9   5.528 -10.154  -3.463
   84   HH21  ARG   9          HH21      ARG   9   6.514  -7.414  -1.668
   85   HH22  ARG   9          HH22      ARG   9   6.827  -8.472  -3.013
   86    H    MET  10           H        MET  10   6.317  -5.305   2.614
   87    HA   MET  10           HA       MET  10   6.916  -2.521   3.202
   88    HB2  MET  10           HB2      MET  10   5.845  -3.278   5.331
   89    HB3  MET  10           HB3      MET  10   7.109  -4.514   5.493
   90    HG2  MET  10           HG2      MET  10   8.810  -2.650   5.487
   91    HG3  MET  10           HG3      MET  10   7.474  -1.488   5.509
   92    HE1  MET  10           HE1      MET  10   5.362  -2.600   7.525
   93    HE2  MET  10           HE2      MET  10   5.959  -1.995   9.083
   94    HE3  MET  10           HE3      MET  10   6.014  -0.949   7.651
   95    H    PHE  11           H        PHE  11   8.965  -2.045   2.815
   96    HA   PHE  11           HA       PHE  11  10.919  -4.001   1.970
   97    HB2  PHE  11           HB2      PHE  11  10.965  -1.002   2.287
   98    HB3  PHE  11           HB3      PHE  11  12.401  -1.922   1.842
   99    HD1  PHE  11           HD1      PHE  11  12.309  -3.467  -0.223
  100    HD2  PHE  11           HD2      PHE  11   9.455  -0.329   0.561
  101    HE1  PHE  11           HE1      PHE  11  11.696  -3.417  -2.631
  102    HE2  PHE  11           HE2      PHE  11   8.863  -0.265  -1.850
  103    HZ   PHE  11           HZ       PHE  11   9.977  -1.813  -3.447
  104    H    ALA  12           H        ALA  12  13.130  -4.189   2.739
  105    HA   ALA  12           HA       ALA  12  13.341  -4.812   5.500
  106    HB1  ALA  12           HB1      ALA  12  15.518  -4.243   3.437
  107    HB2  ALA  12           HB2      ALA  12  15.735  -5.106   4.974
  108    HB3  ALA  12           HB3      ALA  12  14.714  -5.809   3.707
  109    H    ASN  13           H        ASN  13  13.791  -1.725   3.903
  110    HA   ASN  13           HA       ASN  13  15.173  -0.486   6.183
  111    HB2  ASN  13           HB2      ASN  13  15.233   1.506   4.813
  112    HB3  ASN  13           HB3      ASN  13  15.768   0.100   3.882
  113   HD21  ASN  13          HD21      ASN  13  15.400   1.317   1.987
  114    H    GLY  14           H        GLY  14  11.979  -1.348   5.813
  115    HA2  GLY  14           HA2      GLY  14  10.263  -0.880   7.307
  116    HA3  GLY  14           HA3      GLY  14  11.088   0.589   7.856
  117    H    THR  15           H        THR  15  10.687   0.299   4.389
  118    HA   THR  15           HA       THR  15   8.643   2.460   4.376
  119    HB   THR  15           HB       THR  15  10.319   1.164   2.186
  120    HG1  THR  15           HG1      THR  15  11.591   2.345   3.347
  121   HG21  THR  15          HG21      THR  15   8.463   3.562   2.013
  122   HG22  THR  15          HG22      THR  15   9.673   3.098   0.788
  123   HG23  THR  15          HG23      THR  15   8.317   2.022   1.124
  124    H    VAL  16           H        VAL  16   6.534   2.122   3.800
  125    HA   VAL  16           HA       VAL  16   5.632  -0.677   3.368
  126    HB   VAL  16           HB       VAL  16   4.246   1.919   4.134
  127   HG11  VAL  16          HG11      VAL  16   2.920  -0.788   3.693
  128   HG12  VAL  16          HG12      VAL  16   2.175   0.612   4.488
  129   HG13  VAL  16          HG13      VAL  16   2.602   0.708   2.783
  130   HG21  VAL  16          HG21      VAL  16   5.532   0.760   5.914
  131   HG22  VAL  16          HG22      VAL  16   3.793   0.710   6.235
  132   HG23  VAL  16          HG23      VAL  16   4.614  -0.731   5.596
  133    H    TYR  17           H        TYR  17   4.470  -1.350   1.631
  134    HA   TYR  17           HA       TYR  17   3.649   0.516  -0.474
  135    HB2  TYR  17           HB2      TYR  17   4.659  -0.630  -2.301
  136    HB3  TYR  17           HB3      TYR  17   5.879  -0.004  -1.202
  137    HD1  TYR  17           HD1      TYR  17   7.141  -1.590   0.338
  138    HD2  TYR  17           HD2      TYR  17   4.626  -2.954  -2.892
  139    HE1  TYR  17           HE1      TYR  17   8.428  -3.718   0.224
  140    HE2  TYR  17           HE2      TYR  17   5.936  -5.062  -3.026
  141    HH   TYR  17           HH       TYR  17   8.746  -5.677  -0.918
  142    H    TYR  18           H        TYR  18   2.570  -0.995  -2.311
  143    HA   TYR  18           HA       TYR  18   0.952  -3.151  -1.044
  144    HB2  TYR  18           HB2      TYR  18   0.047  -1.089  -3.091
  145    HB3  TYR  18           HB3      TYR  18  -0.897  -2.448  -2.481
  146    HD1  TYR  18           HD1      TYR  18   0.450   0.898  -1.650
  147    HD2  TYR  18           HD2      TYR  18  -1.844  -2.481  -0.263
  148    HE1  TYR  18           HE1      TYR  18  -0.443   2.275   0.238
  149    HE2  TYR  18           HE2      TYR  18  -2.738  -1.106   1.594
  150    HH   TYR  18           HH       TYR  18  -1.649   2.249   2.178
  151    H    PHE  19           H        PHE  19   0.504  -4.933  -2.255
  152    HA   PHE  19           HA       PHE  19   1.742  -5.208  -4.931
  153    HB2  PHE  19           HB2      PHE  19   3.385  -6.108  -3.589
  154    HB3  PHE  19           HB3      PHE  19   2.205  -6.880  -2.515
  155    HD1  PHE  19           HD1      PHE  19   3.889  -7.158  -5.802
  156    HD2  PHE  19           HD2      PHE  19   1.290  -9.067  -2.935
  157    HE1  PHE  19           HE1      PHE  19   4.189  -9.319  -6.971
  158    HE2  PHE  19           HE2      PHE  19   1.628 -11.237  -4.086
  159    HZ   PHE  19           HZ       PHE  19   3.060 -11.369  -6.117
  160    H    ASN  20           H        ASN  20   0.684  -6.237  -6.488
  161    HA   ASN  20           HA       ASN  20  -2.046  -7.224  -5.838
  162    HB2  ASN  20           HB2      ASN  20  -1.707  -5.449  -7.556
  163    HB3  ASN  20           HB3      ASN  20  -0.781  -6.605  -8.533
  164   HD21  ASN  20          HD21      ASN  20  -3.434  -5.191  -8.988
  165   HD22  ASN  20          HD22      ASN  20  -4.531  -6.521  -9.368
  166    H    HIS  21           H        HIS  21  -2.019  -9.342  -5.254
  167    HA   HIS  21           HA       HIS  21   0.121 -11.107  -6.142
  168    HB2  HIS  21           HB2      HIS  21  -0.431 -12.428  -4.436
  169    HB3  HIS  21           HB3      HIS  21  -1.270 -10.994  -3.853
  170    HD2  HIS  21           HD2      HIS  21  -4.038 -10.977  -4.381
  171    HE1  HIS  21           HE1      HIS  21  -4.369 -15.222  -4.606
  172    HE2  HIS  21           HE2      HIS  21  -5.673 -13.050  -4.350
  173    H    ILE  22           H        ILE  22  -2.845 -10.289  -7.604
  174    HA   ILE  22           HA       ILE  22  -3.245 -12.808  -9.025
  175    HB   ILE  22           HB       ILE  22  -4.356 -10.041  -9.626
  176   HG12  ILE  22          HG12      ILE  22  -4.968 -10.589  -7.331
  177   HG13  ILE  22          HG13      ILE  22  -6.370 -10.599  -8.402
  178   HG21  ILE  22          HG21      ILE  22  -6.206 -11.318 -10.707
  179   HG22  ILE  22          HG22      ILE  22  -4.641 -11.491 -11.506
  180   HG23  ILE  22          HG23      ILE  22  -5.255 -12.806 -10.483
  181   HD11  ILE  22          HD11      ILE  22  -6.377 -13.071  -8.410
  182   HD12  ILE  22          HD12      ILE  22  -4.924 -13.087  -7.381
  183   HD13  ILE  22          HD13      ILE  22  -6.451 -12.427  -6.762
  184    H    THR  23           H        THR  23  -1.806  -9.621  -9.646
  185    HA   THR  23           HA       THR  23  -0.974 -10.415 -12.386
  186    HB   THR  23           HB       THR  23  -1.117  -8.178 -13.046
  187    HG1  THR  23           HG1      THR  23  -1.800  -6.670 -11.278
  188   HG21  THR  23          HG21      THR  23  -3.368  -7.494 -12.602
  189   HG22  THR  23          HG22      THR  23  -3.368  -9.265 -12.666
  190   HG23  THR  23          HG23      THR  23  -3.443  -8.430 -11.097
  191    H    ASN  24           H        ASN  24   0.461  -9.910  -9.412
  192    HA   ASN  24           HA       ASN  24   2.480  -9.636  -8.605
  193    HB2  ASN  24           HB2      ASN  24   3.560 -10.297 -11.361
  194    HB3  ASN  24           HB3      ASN  24   4.500 -10.241  -9.863
  195   HD21  ASN  24          HD21      ASN  24   3.030 -12.381 -11.908
  196   HD22  ASN  24          HD22      ASN  24   2.756 -13.678 -10.739
  197    H    ALA  25           H        ALA  25   1.064  -7.303 -10.168
  198    HA   ALA  25           HA       ALA  25   3.190  -5.354 -10.511
  199    HB1  ALA  25           HB1      ALA  25   0.210  -4.971  -9.998
  200    HB2  ALA  25           HB2      ALA  25   1.343  -3.744 -10.597
  201    HB3  ALA  25           HB3      ALA  25   0.971  -5.162 -11.595
  202    H    SER  26           H        SER  26   3.545  -3.451  -9.119
  203    HA   SER  26           HA       SER  26   2.519  -3.497  -6.398
  204    HB2  SER  26           HB2      SER  26   4.706  -3.454  -5.266
  205    HB3  SER  26           HB3      SER  26   4.375  -5.002  -6.045
  206    HG   SER  26           HG       SER  26   5.742  -4.418  -7.730
  207    H    GLN  27           H        GLN  27   2.719  -1.605  -5.250
  208    HA   GLN  27           HA       GLN  27   4.101   0.753  -6.251
  209    HB2  GLN  27           HB2      GLN  27   2.186   2.038  -6.916
  210    HB3  GLN  27           HB3      GLN  27   2.118   0.515  -7.807
  211    HG2  GLN  27           HG2      GLN  27   0.431  -0.324  -6.128
  212    HG3  GLN  27           HG3      GLN  27   0.437   1.273  -5.395
  213   HE21  GLN  27          HE21      GLN  27  -1.484   2.224  -5.941
  214   HE22  GLN  27          HE22      GLN  27  -2.165   2.225  -7.579
  215    H    PHE  28           H        PHE  28   4.175   2.398  -4.599
  216    HA   PHE  28           HA       PHE  28   2.854   1.713  -2.050
  217    HB2  PHE  28           HB2      PHE  28   4.177   3.726  -1.157
  218    HB3  PHE  28           HB3      PHE  28   4.926   2.157  -1.456
  219    HD1  PHE  28           HD1      PHE  28   7.023   2.232  -2.313
  220    HD2  PHE  28           HD2      PHE  28   4.174   5.222  -3.532
  221    HE1  PHE  28           HE1      PHE  28   8.720   3.226  -3.874
  222    HE2  PHE  28           HE2      PHE  28   5.813   6.180  -5.113
  223    HZ   PHE  28           HZ       PHE  28   8.110   5.192  -5.277
  224    H    GLU  29           H        GLU  29   2.085   3.729  -4.620
  225    HA   GLU  29           HA       GLU  29   0.445   5.636  -3.180
  226    HB2  GLU  29           HB2      GLU  29   1.307   6.006  -5.447
  227    HB3  GLU  29           HB3      GLU  29   0.340   4.647  -6.057
  228    HG2  GLU  29           HG2      GLU  29  -1.746   5.800  -5.404
  229    HG3  GLU  29           HG3      GLU  29  -0.811   7.134  -4.720
  230    H    ARG  30           H        ARG  30  -1.285   5.113  -2.009
  231    HA   ARG  30           HA       ARG  30  -2.186   2.553  -1.602
  232    HB2  ARG  30           HB2      ARG  30  -2.420   4.105   0.085
  233    HB3  ARG  30           HB3      ARG  30  -3.277   5.258  -0.927
  234    HG2  ARG  30           HG2      ARG  30  -4.657   4.285   0.830
  235    HG3  ARG  30           HG3      ARG  30  -5.316   4.061  -0.798
  236    HD2  ARG  30           HD2      ARG  30  -3.827   1.707  -0.216
  237    HD3  ARG  30           HD3      ARG  30  -4.643   2.105   1.277
  238    HE   ARG  30           HE       ARG  30  -5.929   1.561  -1.383
  239   HH11  ARG  30          HH11      ARG  30  -6.455   1.845   2.091
  240   HH12  ARG  30          HH12      ARG  30  -8.108   1.296   1.919
  241   HH21  ARG  30          HH21      ARG  30  -7.967   1.019  -1.483
  242   HH22  ARG  30          HH22      ARG  30  -8.897   0.692  -0.015
  243    HA   PRO  31           HA       PRO  31  -4.481   1.923  -5.345
  244    HB2  PRO  31           HB2      PRO  31  -5.194  -0.729  -5.031
  245    HB3  PRO  31           HB3      PRO  31  -3.548  -0.160  -5.448
  246    HG2  PRO  31           HG2      PRO  31  -4.610  -0.847  -2.675
  247    HG3  PRO  31           HG3      PRO  31  -3.106  -1.426  -3.468
  248    HD2  PRO  31           HD2      PRO  31  -3.057   0.623  -1.769
  249    HD3  PRO  31           HD3      PRO  31  -2.094   0.706  -3.274
  250    H    SER  32           H        SER  32  -6.518   1.926  -6.138
  251    HA   SER  32           HA       SER  32  -8.840   1.643  -4.261
  252    HB2  SER  32           HB2      SER  32  -8.452   3.573  -6.570
  253    HB3  SER  32           HB3      SER  32  -9.974   3.339  -5.692
  254    HG   SER  32           HG       SER  32  -8.729   5.082  -4.866
  255    H    GLY  33           H        GLY  33  -7.435   0.153  -6.920
  256    HA2  GLY  33           HA2      GLY  33  -9.284  -1.832  -7.348
  257    HA3  GLY  33           HA3      GLY  33  -9.814  -0.566  -8.455
  258    H1B  XYP 101           H1       XYP  34  12.584   2.073   1.369
  259    H2B  XYP 101           H2       XYP  34  15.204   2.747  -0.078
  260    H3B  XYP 101           H3       XYP  34  12.359   3.726  -0.640
  261    H4B  XYP 101           H4       XYP  34  14.091   1.828  -2.304
  262   H5B1  XYP 101          H5E       XYP  34  12.481   0.062  -1.696
  263   H5B2  XYP 101          H5A       XYP  34  11.556   1.206  -0.702
  264   HO2B  XYP 101          H2O       XYP  34  14.686   3.861   1.950
  265   HO3B  XYP 101          H3O       XYP  34  14.164   5.153  -1.159
  266   HO4B  XYP 101          H4O       XYP  34  12.555   3.298  -3.339
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -11.761  -3.658   2.729
    2    H2   LYS   1           H2       LYS   1 -12.750  -2.705   1.832
    3    H3   LYS   1           H3       LYS   1 -12.856  -2.690   3.461
    4    HA   LYS   1           HA       LYS   1 -11.775  -0.712   2.704
    5    HB2  LYS   1           HB2      LYS   1 -11.194  -1.654   4.890
    6    HB3  LYS   1           HB3      LYS   1  -9.866  -2.567   4.196
    7    HG2  LYS   1           HG2      LYS   1 -10.024   0.473   3.988
    8    HG3  LYS   1           HG3      LYS   1  -9.429  -0.342   5.429
    9    HD2  LYS   1           HD2      LYS   1  -7.658  -1.477   4.027
   10    HD3  LYS   1           HD3      LYS   1  -8.185  -0.500   2.651
   11    HE2  LYS   1           HE2      LYS   1  -6.276   0.563   3.593
   12    HE3  LYS   1           HE3      LYS   1  -7.688   1.574   3.911
   13    HZ1  LYS   1           HZ1      LYS   1  -6.258   1.352   5.868
   14    HZ2  LYS   1           HZ2      LYS   1  -7.721   0.705   6.184
   15    HZ3  LYS   1           HZ3      LYS   1  -6.442  -0.271   5.882
   16    H    LEU   2           H        LEU   2  -9.352  -3.333   2.100
   17    HA   LEU   2           HA       LEU   2  -8.182  -1.762  -0.059
   18    HB2  LEU   2           HB2      LEU   2  -6.984  -3.077   1.792
   19    HB3  LEU   2           HB3      LEU   2  -7.482  -4.542   0.933
   20    HG   LEU   2           HG       LEU   2  -6.209  -3.646  -1.091
   21   HD11  LEU   2          HD11      LEU   2  -4.463  -1.961  -0.638
   22   HD12  LEU   2          HD12      LEU   2  -6.058  -1.241  -0.403
   23   HD13  LEU   2          HD13      LEU   2  -5.089  -1.718   1.006
   24   HD21  LEU   2          HD21      LEU   2  -5.294  -5.362   0.427
   25   HD22  LEU   2          HD22      LEU   2  -4.012  -4.280  -0.159
   26   HD23  LEU   2          HD23      LEU   2  -4.654  -4.096   1.492
   27    HA   PRO   3           HA       PRO   3 -10.701  -3.733  -3.137
   28    HB2  PRO   3           HB2      PRO   3  -9.330  -3.187  -5.482
   29    HB3  PRO   3           HB3      PRO   3 -10.285  -1.992  -4.551
   30    HG2  PRO   3           HG2      PRO   3  -7.298  -2.470  -4.449
   31    HG3  PRO   3           HG3      PRO   3  -8.171  -0.918  -4.576
   32    HD2  PRO   3           HD2      PRO   3  -7.225  -1.859  -2.217
   33    HD3  PRO   3           HD3      PRO   3  -8.791  -0.995  -2.324
   34    HA   PRO   4           HA       PRO   4  -9.559  -7.853  -3.926
   35    HB2  PRO   4           HB2      PRO   4 -10.367  -7.505  -6.819
   36    HB3  PRO   4           HB3      PRO   4 -10.799  -8.819  -5.676
   37    HG2  PRO   4           HG2      PRO   4 -12.565  -6.831  -6.158
   38    HG3  PRO   4           HG3      PRO   4 -12.282  -7.370  -4.467
   39    HD2  PRO   4           HD2      PRO   4 -11.120  -4.962  -5.895
   40    HD3  PRO   4           HD3      PRO   4 -11.833  -5.081  -4.255
   41    H    GLY   5           H        GLY   5  -7.845  -9.095  -4.412
   42    HA2  GLY   5           HA2      GLY   5  -5.914  -9.884  -5.392
   43    HA3  GLY   5           HA3      GLY   5  -6.013  -8.621  -6.633
   44    H    TRP   6           H        TRP   6  -6.120  -6.556  -4.251
   45    HA   TRP   6           HA       TRP   6  -3.217  -6.243  -4.052
   46    HB2  TRP   6           HB2      TRP   6  -5.490  -4.517  -3.084
   47    HB3  TRP   6           HB3      TRP   6  -3.792  -4.149  -2.818
   48    HD1  TRP   6           HD1      TRP   6  -6.447  -4.172  -5.478
   49    HE1  TRP   6           HE1      TRP   6  -5.585  -3.130  -7.670
   50    HE3  TRP   6           HE3      TRP   6  -1.502  -3.758  -4.267
   51    HZ2  TRP   6           HZ2      TRP   6  -3.045  -2.318  -8.782
   52    HZ3  TRP   6           HZ3      TRP   6   0.139  -2.868  -5.937
   53    HH2  TRP   6           HH2      TRP   6  -0.625  -2.167  -8.185
   54    H    GLU   7           H        GLU   7  -1.972  -6.099  -2.274
   55    HA   GLU   7           HA       GLU   7  -2.962  -6.732   0.425
   56    HB2  GLU   7           HB2      GLU   7  -2.479  -8.930  -0.401
   57    HB3  GLU   7           HB3      GLU   7  -1.033  -8.388  -1.227
   58    HG2  GLU   7           HG2      GLU   7  -0.487  -9.784   0.654
   59    HG3  GLU   7           HG3      GLU   7   0.199  -8.182   0.809
   60    H    LYS   8           H        LYS   8  -1.649  -5.856   2.061
   61    HA   LYS   8           HA       LYS   8   0.200  -3.732   1.240
   62    HB2  LYS   8           HB2      LYS   8  -0.804  -4.683   3.927
   63    HB3  LYS   8           HB3      LYS   8   0.585  -3.582   3.800
   64    HG2  LYS   8           HG2      LYS   8  -0.704  -2.013   2.442
   65    HG3  LYS   8           HG3      LYS   8  -2.105  -3.102   2.470
   66    HD2  LYS   8           HD2      LYS   8  -2.566  -1.388   4.034
   67    HD3  LYS   8           HD3      LYS   8  -2.130  -2.805   5.010
   68    HE2  LYS   8           HE2      LYS   8   0.202  -1.899   5.226
   69    HE3  LYS   8           HE3      LYS   8  -0.264  -0.503   4.244
   70    HZ1  LYS   8           HZ1      LYS   8  -1.865   0.098   5.975
   71    HZ2  LYS   8           HZ2      LYS   8  -1.447  -1.199   6.881
   72    HZ3  LYS   8           HZ3      LYS   8  -0.369  -0.002   6.619
   73    H    ARG   9           H        ARG   9   2.322  -3.558   1.519
   74    HA   ARG   9           HA       ARG   9   3.995  -5.963   2.106
   75    HB2  ARG   9           HB2      ARG   9   3.119  -5.430  -0.466
   76    HB3  ARG   9           HB3      ARG   9   4.529  -4.403  -0.404
   77    HG2  ARG   9           HG2      ARG   9   5.339  -6.366  -1.327
   78    HG3  ARG   9           HG3      ARG   9   5.804  -6.562   0.376
   79    HD2  ARG   9           HD2      ARG   9   3.563  -7.897  -1.192
   80    HD3  ARG   9           HD3      ARG   9   4.981  -8.653  -0.456
   81    HE   ARG   9           HE       ARG   9   2.720  -7.417   1.109
   82   HH11  ARG   9          HH11      ARG   9   4.850 -10.198   0.749
   83   HH12  ARG   9          HH12      ARG   9   4.160 -10.968   2.155
   84   HH21  ARG   9          HH21      ARG   9   1.948  -8.406   2.806
   85   HH22  ARG   9          HH22      ARG   9   2.531  -9.983   3.290
   86    H    MET  10           H        MET  10   6.355  -5.412   2.172
   87    HA   MET  10           HA       MET  10   6.951  -2.589   2.750
   88    HB2  MET  10           HB2      MET  10   5.790  -3.505   4.798
   89    HB3  MET  10           HB3      MET  10   7.117  -4.674   4.958
   90    HG2  MET  10           HG2      MET  10   8.711  -2.729   5.152
   91    HG3  MET  10           HG3      MET  10   7.315  -1.640   5.045
   92    HE1  MET  10           HE1      MET  10   9.474  -3.998   7.191
   93    HE2  MET  10           HE2      MET  10   8.488  -4.300   8.638
   94    HE3  MET  10           HE3      MET  10   8.032  -5.034   7.088
   95    H    PHE  11           H        PHE  11   9.014  -2.057   2.560
   96    HA   PHE  11           HA       PHE  11  11.005  -3.952   1.655
   97    HB2  PHE  11           HB2      PHE  11  11.050  -0.987   2.202
   98    HB3  PHE  11           HB3      PHE  11  12.493  -1.887   1.729
   99    HD1  PHE  11           HD1      PHE  11  12.506  -3.208  -0.458
  100    HD2  PHE  11           HD2      PHE  11   9.505  -0.263   0.509
  101    HE1  PHE  11           HE1      PHE  11  11.925  -3.002  -2.866
  102    HE2  PHE  11           HE2      PHE  11   8.936  -0.054  -1.898
  103    HZ   PHE  11           HZ       PHE  11  10.142  -1.424  -3.588
  104    H    ALA  12           H        ALA  12  13.176  -4.214   2.507
  105    HA   ALA  12           HA       ALA  12  13.225  -5.113   5.196
  106    HB1  ALA  12           HB1      ALA  12  15.640  -5.401   4.773
  107    HB2  ALA  12           HB2      ALA  12  14.681  -5.949   3.386
  108    HB3  ALA  12           HB3      ALA  12  15.522  -4.380   3.324
  109    H    ASN  13           H        ASN  13  13.806  -1.896   3.951
  110    HA   ASN  13           HA       ASN  13  15.064  -0.902   6.416
  111    HB2  ASN  13           HB2      ASN  13  15.154   1.236   5.248
  112    HB3  ASN  13           HB3      ASN  13  15.803  -0.075   4.253
  113   HD21  ASN  13          HD21      ASN  13  15.546   1.319   2.461
  114    H    GLY  14           H        GLY  14  11.899  -1.711   5.800
  115    HA2  GLY  14           HA2      GLY  14  10.113  -1.392   7.251
  116    HA3  GLY  14           HA3      GLY  14  10.906   0.013   7.981
  117    H    THR  15           H        THR  15  10.644   0.034   4.478
  118    HA   THR  15           HA       THR  15   8.645   2.224   4.599
  119    HB   THR  15           HB       THR  15  10.337   1.132   2.318
  120    HG1  THR  15           HG1      THR  15  11.655   2.092   3.627
  121   HG21  THR  15          HG21      THR  15   8.596   3.616   2.463
  122   HG22  THR  15          HG22      THR  15   9.790   3.263   1.187
  123   HG23  THR  15          HG23      THR  15   8.383   2.211   1.384
  124    H    VAL  16           H        VAL  16   6.536   1.911   4.129
  125    HA   VAL  16           HA       VAL  16   5.628  -0.768   3.272
  126    HB   VAL  16           HB       VAL  16   4.211   1.638   4.472
  127   HG11  VAL  16          HG11      VAL  16   3.046  -1.093   3.799
  128   HG12  VAL  16          HG12      VAL  16   2.261   0.143   4.807
  129   HG13  VAL  16          HG13      VAL  16   2.561   0.473   3.102
  130   HG21  VAL  16          HG21      VAL  16   5.677   0.393   6.044
  131   HG22  VAL  16          HG22      VAL  16   3.969   0.180   6.446
  132   HG23  VAL  16          HG23      VAL  16   4.845  -1.118   5.613
  133    H    TYR  17           H        TYR  17   4.355  -1.183   1.552
  134    HA   TYR  17           HA       TYR  17   3.385   0.868  -0.306
  135    HB2  TYR  17           HB2      TYR  17   4.621   0.076  -2.212
  136    HB3  TYR  17           HB3      TYR  17   5.769   0.543  -0.968
  137    HD1  TYR  17           HD1      TYR  17   6.998  -1.255   0.343
  138    HD2  TYR  17           HD2      TYR  17   4.602  -2.121  -3.140
  139    HE1  TYR  17           HE1      TYR  17   8.243  -3.383   0.006
  140    HE2  TYR  17           HE2      TYR  17   5.825  -4.269  -3.446
  141    HH   TYR  17           HH       TYR  17   8.549  -5.200  -1.326
  142    H    TYR  18           H        TYR  18   2.608  -0.645  -2.373
  143    HA   TYR  18           HA       TYR  18   0.889  -2.775  -1.206
  144    HB2  TYR  18           HB2      TYR  18   0.177  -0.620  -3.209
  145    HB3  TYR  18           HB3      TYR  18  -0.848  -2.000  -2.788
  146    HD1  TYR  18           HD1      TYR  18   0.645   1.142  -1.533
  147    HD2  TYR  18           HD2      TYR  18  -1.986  -2.158  -0.640
  148    HE1  TYR  18           HE1      TYR  18  -0.104   2.315   0.514
  149    HE2  TYR  18           HE2      TYR  18  -2.813  -0.945   1.364
  150    HH   TYR  18           HH       TYR  18  -1.472   2.223   2.356
  151    H    PHE  19           H        PHE  19   0.477  -4.600  -2.269
  152    HA   PHE  19           HA       PHE  19   1.815  -5.073  -4.876
  153    HB2  PHE  19           HB2      PHE  19   3.380  -5.811  -3.303
  154    HB3  PHE  19           HB3      PHE  19   2.129  -6.574  -2.311
  155    HD1  PHE  19           HD1      PHE  19   1.342  -8.850  -2.736
  156    HD2  PHE  19           HD2      PHE  19   4.095  -6.883  -5.419
  157    HE1  PHE  19           HE1      PHE  19   1.865 -11.019  -3.803
  158    HE2  PHE  19           HE2      PHE  19   4.537  -9.048  -6.550
  159    HZ   PHE  19           HZ       PHE  19   3.433 -11.127  -5.732
  160    H    ASN  20           H        ASN  20   0.781  -6.211  -6.383
  161    HA   ASN  20           HA       ASN  20  -1.927  -7.237  -5.709
  162    HB2  ASN  20           HB2      ASN  20  -1.616  -5.618  -7.576
  163    HB3  ASN  20           HB3      ASN  20  -0.621  -6.822  -8.420
  164   HD21  ASN  20          HD21      ASN  20  -3.414  -5.539  -8.894
  165   HD22  ASN  20          HD22      ASN  20  -4.403  -6.959  -9.246
  166    H    HIS  21           H        HIS  21  -1.931  -9.314  -5.026
  167    HA   HIS  21           HA       HIS  21   0.322 -11.074  -5.553
  168    HB2  HIS  21           HB2      HIS  21  -0.457 -12.326  -3.861
  169    HB3  HIS  21           HB3      HIS  21  -1.365 -10.870  -3.474
  170    HD2  HIS  21           HD2      HIS  21  -4.033 -10.874  -4.162
  171    HE1  HIS  21           HE1      HIS  21  -4.403 -15.061  -4.788
  172    HE2  HIS  21           HE2      HIS  21  -5.687 -12.899  -4.454
  173    H    ILE  22           H        ILE  22  -2.648 -10.535  -7.238
  174    HA   ILE  22           HA       ILE  22  -2.767 -13.150  -8.504
  175    HB   ILE  22           HB       ILE  22  -4.258 -10.558  -9.101
  176   HG12  ILE  22          HG12      ILE  22  -4.904 -12.999  -7.378
  177   HG13  ILE  22          HG13      ILE  22  -4.688 -11.323  -6.835
  178   HG21  ILE  22          HG21      ILE  22  -4.836 -13.411 -10.007
  179   HG22  ILE  22          HG22      ILE  22  -5.854 -11.986 -10.321
  180   HG23  ILE  22          HG23      ILE  22  -4.263 -12.085 -11.045
  181   HD11  ILE  22          HD11      ILE  22  -6.994 -11.847  -6.728
  182   HD12  ILE  22          HD12      ILE  22  -6.765 -10.688  -8.059
  183   HD13  ILE  22          HD13      ILE  22  -7.035 -12.422  -8.399
  184    H    THR  23           H        THR  23  -1.687  -9.889  -9.371
  185    HA   THR  23           HA       THR  23  -0.743 -10.798 -12.038
  186    HB   THR  23           HB       THR  23  -1.028  -8.622 -12.838
  187    HG1  THR  23           HG1      THR  23  -1.919  -7.157 -11.008
  188   HG21  THR  23          HG21      THR  23  -3.328  -8.048 -12.424
  189   HG22  THR  23          HG22      THR  23  -3.203  -9.816 -12.434
  190   HG23  THR  23          HG23      THR  23  -3.354  -8.945 -10.891
  191    H    ASN  24           H        ASN  24   0.643 -10.052  -9.090
  192    HA   ASN  24           HA       ASN  24   2.648  -9.580  -8.307
  193    HB2  ASN  24           HB2      ASN  24   3.752 -10.357 -11.026
  194    HB3  ASN  24           HB3      ASN  24   4.690 -10.149  -9.541
  195   HD21  ASN  24          HD21      ASN  24   3.102 -13.724 -10.184
  196   HD22  ASN  24          HD22      ASN  24   3.258 -12.484 -11.433
  197    H    ALA  25           H        ALA  25   1.080  -7.454 -10.028
  198    HA   ALA  25           HA       ALA  25   3.065  -5.406 -10.529
  199    HB1  ALA  25           HB1      ALA  25   0.804  -5.414 -11.547
  200    HB2  ALA  25           HB2      ALA  25   0.085  -5.155  -9.940
  201    HB3  ALA  25           HB3      ALA  25   1.127  -3.913 -10.657
  202    H    SER  26           H        SER  26   3.284  -3.378  -9.277
  203    HA   SER  26           HA       SER  26   2.445  -3.359  -6.493
  204    HB2  SER  26           HB2      SER  26   4.683  -3.106  -5.514
  205    HB3  SER  26           HB3      SER  26   4.436  -4.708  -6.215
  206    HG   SER  26           HG       SER  26   5.652  -4.094  -7.994
  207    H    GLN  27           H        GLN  27   2.647  -1.378  -5.428
  208    HA   GLN  27           HA       GLN  27   3.704   0.976  -6.816
  209    HB2  GLN  27           HB2      GLN  27   1.619   2.127  -7.088
  210    HB3  GLN  27           HB3      GLN  27   1.490   0.570  -7.909
  211    HG2  GLN  27           HG2      GLN  27   0.176  -0.324  -5.972
  212    HG3  GLN  27           HG3      GLN  27   0.297   1.250  -5.189
  213   HE21  GLN  27          HE21      GLN  27  -2.665   2.237  -6.652
  214   HE22  GLN  27          HE22      GLN  27  -1.625   2.168  -5.221
  215    H    PHE  28           H        PHE  28   3.823   2.849  -5.449
  216    HA   PHE  28           HA       PHE  28   3.771   2.236  -2.590
  217    HB2  PHE  28           HB2      PHE  28   5.704   3.292  -3.161
  218    HB3  PHE  28           HB3      PHE  28   4.892   4.469  -4.203
  219    HD1  PHE  28           HD1      PHE  28   5.730   3.634  -0.690
  220    HD2  PHE  28           HD2      PHE  28   3.846   6.484  -3.328
  221    HE1  PHE  28           HE1      PHE  28   5.665   5.300   1.150
  222    HE2  PHE  28           HE2      PHE  28   3.767   8.141  -1.484
  223    HZ   PHE  28           HZ       PHE  28   4.684   7.556   0.759
  224    H    GLU  29           H        GLU  29   1.832   4.382  -4.608
  225    HA   GLU  29           HA       GLU  29   0.413   5.536  -2.380
  226    HB2  GLU  29           HB2      GLU  29   0.593   6.800  -4.372
  227    HB3  GLU  29           HB3      GLU  29   0.008   5.476  -5.368
  228    HG2  GLU  29           HG2      GLU  29  -1.633   7.195  -5.287
  229    HG3  GLU  29           HG3      GLU  29  -2.261   5.746  -4.526
  230    H    ARG  30           H        ARG  30  -1.619   5.141  -1.565
  231    HA   ARG  30           HA       ARG  30  -2.323   2.393  -1.344
  232    HB2  ARG  30           HB2      ARG  30  -2.546   3.919   0.471
  233    HB3  ARG  30           HB3      ARG  30  -3.717   4.913  -0.386
  234    HG2  ARG  30           HG2      ARG  30  -4.311   1.982   0.127
  235    HG3  ARG  30           HG3      ARG  30  -4.457   3.147   1.451
  236    HD2  ARG  30           HD2      ARG  30  -6.359   4.052   0.683
  237    HD3  ARG  30           HD3      ARG  30  -5.801   4.118  -0.975
  238    HE   ARG  30           HE       ARG  30  -6.452   1.825  -1.337
  239   HH11  ARG  30          HH11      ARG  30  -7.852   3.120   1.631
  240   HH12  ARG  30          HH12      ARG  30  -9.237   2.066   1.483
  241   HH21  ARG  30          HH21      ARG  30  -8.177   0.663  -1.464
  242   HH22  ARG  30          HH22      ARG  30  -9.352   0.571  -0.152
  243    HA   PRO  31           HA       PRO  31  -4.779   2.129  -5.080
  244    HB2  PRO  31           HB2      PRO  31  -5.591  -0.483  -4.929
  245    HB3  PRO  31           HB3      PRO  31  -3.914   0.013  -5.305
  246    HG2  PRO  31           HG2      PRO  31  -5.024  -0.838  -2.620
  247    HG3  PRO  31           HG3      PRO  31  -3.525  -1.398  -3.431
  248    HD2  PRO  31           HD2      PRO  31  -3.510   0.548  -1.538
  249    HD3  PRO  31           HD3      PRO  31  -2.410   0.615  -2.951
  250    H    SER  32           H        SER  32  -6.565   3.368  -4.968
  251    HA   SER  32           HA       SER  32  -8.480   3.085  -2.773
  252    HB2  SER  32           HB2      SER  32  -8.237   5.089  -5.037
  253    HB3  SER  32           HB3      SER  32  -9.443   5.173  -3.739
  254    HG   SER  32           HG       SER  32  -6.619   5.101  -3.355
  255    H    GLY  33           H        GLY  33  -8.409   1.592  -5.769
  256    HA2  GLY  33           HA2      GLY  33 -10.968   0.377  -5.552
  257    HA3  GLY  33           HA3      GLY  33 -11.087   1.700  -6.715
  258    H1B  XYP 101           H1       XYP  34  12.848   2.212   1.733
  259    H2B  XYP 101           H2       XYP  34  15.552   2.587   0.324
  260    H3B  XYP 101           H3       XYP  34  12.867   3.942  -0.234
  261    H4B  XYP 101           H4       XYP  34  14.377   1.894  -1.930
  262   H5B1  XYP 101          H5E       XYP  34  12.581   0.310  -1.413
  263   H5B2  XYP 101          H5A       XYP  34  11.753   1.511  -0.402
  264   HO2B  XYP 101          H2O       XYP  34  15.160   4.794   1.048
  265   HO3B  XYP 101          H3O       XYP  34  14.143   4.613  -2.148
  266   HO4B  XYP 101          H4O       XYP  34  11.760   3.073  -2.241
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -11.656  -3.317   2.759
    2    H2   LYS   1           H2       LYS   1 -12.505  -2.109   2.047
    3    H3   LYS   1           H3       LYS   1 -12.494  -2.251   3.673
    4    HA   LYS   1           HA       LYS   1 -11.106  -0.432   3.003
    5    HB2  LYS   1           HB2      LYS   1 -10.513  -1.641   5.063
    6    HB3  LYS   1           HB3      LYS   1  -9.521  -2.766   4.139
    7    HG2  LYS   1           HG2      LYS   1  -8.117  -0.723   3.397
    8    HG3  LYS   1           HG3      LYS   1  -9.080   0.226   4.531
    9    HD2  LYS   1           HD2      LYS   1  -7.064  -0.327   5.653
   10    HD3  LYS   1           HD3      LYS   1  -8.303  -1.377   6.361
   11    HE2  LYS   1           HE2      LYS   1  -7.541  -3.230   4.836
   12    HE3  LYS   1           HE3      LYS   1  -6.300  -2.155   4.174
   13    HZ1  LYS   1           HZ1      LYS   1  -5.408  -3.582   5.926
   14    HZ2  LYS   1           HZ2      LYS   1  -5.340  -2.023   6.418
   15    HZ3  LYS   1           HZ3      LYS   1  -6.487  -3.021   7.013
   16    H    LEU   2           H        LEU   2  -9.175  -3.323   2.078
   17    HA   LEU   2           HA       LEU   2  -7.873  -1.753  -0.004
   18    HB2  LEU   2           HB2      LEU   2  -6.739  -3.120   1.781
   19    HB3  LEU   2           HB3      LEU   2  -7.346  -4.576   0.974
   20    HG   LEU   2           HG       LEU   2  -5.991  -3.900  -1.049
   21   HD11  LEU   2          HD11      LEU   2  -4.178  -2.234  -0.690
   22   HD12  LEU   2          HD12      LEU   2  -5.753  -1.457  -0.582
   23   HD13  LEU   2          HD13      LEU   2  -4.863  -1.832   0.907
   24   HD21  LEU   2          HD21      LEU   2  -3.824  -4.518  -0.028
   25   HD22  LEU   2          HD22      LEU   2  -4.487  -4.189   1.588
   26   HD23  LEU   2          HD23      LEU   2  -5.147  -5.515   0.608
   27    HA   PRO   3           HA       PRO   3 -10.337  -3.516  -3.226
   28    HB2  PRO   3           HB2      PRO   3  -8.136  -3.314  -5.204
   29    HB3  PRO   3           HB3      PRO   3  -9.707  -2.467  -5.164
   30    HG2  PRO   3           HG2      PRO   3  -7.331  -1.206  -4.597
   31    HG3  PRO   3           HG3      PRO   3  -8.876  -0.769  -3.794
   32    HD2  PRO   3           HD2      PRO   3  -6.647  -2.525  -2.734
   33    HD3  PRO   3           HD3      PRO   3  -7.574  -1.227  -1.936
   34    HA   PRO   4           HA       PRO   4  -9.607  -7.835  -3.912
   35    HB2  PRO   4           HB2      PRO   4 -10.215  -7.410  -6.842
   36    HB3  PRO   4           HB3      PRO   4 -10.861  -8.654  -5.722
   37    HG2  PRO   4           HG2      PRO   4 -12.358  -6.487  -6.337
   38    HG3  PRO   4           HG3      PRO   4 -12.260  -7.040  -4.630
   39    HD2  PRO   4           HD2      PRO   4 -10.727  -4.792  -5.969
   40    HD3  PRO   4           HD3      PRO   4 -11.577  -4.805  -4.391
   41    H    GLY   5           H        GLY   5  -7.938  -9.211  -4.351
   42    HA2  GLY   5           HA2      GLY   5  -5.983 -10.071  -5.170
   43    HA3  GLY   5           HA3      GLY   5  -6.022  -8.876  -6.482
   44    H    TRP   6           H        TRP   6  -6.059  -6.696  -4.193
   45    HA   TRP   6           HA       TRP   6  -3.157  -6.419  -4.052
   46    HB2  TRP   6           HB2      TRP   6  -5.421  -4.682  -3.101
   47    HB3  TRP   6           HB3      TRP   6  -3.734  -4.315  -2.787
   48    HD1  TRP   6           HD1      TRP   6  -6.292  -4.361  -5.559
   49    HE1  TRP   6           HE1      TRP   6  -5.426  -3.069  -7.605
   50    HE3  TRP   6           HE3      TRP   6  -1.408  -3.943  -4.168
   51    HZ2  TRP   6           HZ2      TRP   6  -2.840  -2.228  -8.622
   52    HZ3  TRP   6           HZ3      TRP   6   0.267  -2.967  -5.730
   53    HH2  TRP   6           HH2      TRP   6  -0.434  -2.114  -7.953
   54    H    GLU   7           H        GLU   7  -1.838  -6.278  -2.304
   55    HA   GLU   7           HA       GLU   7  -2.794  -6.934   0.411
   56    HB2  GLU   7           HB2      GLU   7  -2.258  -9.095  -0.539
   57    HB3  GLU   7           HB3      GLU   7  -0.794  -8.477  -1.271
   58    HG2  GLU   7           HG2      GLU   7  -0.267  -9.931   0.554
   59    HG3  GLU   7           HG3      GLU   7   0.330  -8.311   0.848
   60    H    LYS   8           H        LYS   8  -1.558  -5.996   2.041
   61    HA   LYS   8           HA       LYS   8   0.275  -3.851   1.263
   62    HB2  LYS   8           HB2      LYS   8  -0.798  -4.809   3.918
   63    HB3  LYS   8           HB3      LYS   8   0.598  -3.718   3.843
   64    HG2  LYS   8           HG2      LYS   8  -0.652  -2.147   2.424
   65    HG3  LYS   8           HG3      LYS   8  -2.070  -3.211   2.481
   66    HD2  LYS   8           HD2      LYS   8  -2.473  -1.453   4.024
   67    HD3  LYS   8           HD3      LYS   8  -2.068  -2.868   5.016
   68    HE2  LYS   8           HE2      LYS   8   0.282  -2.028   5.214
   69    HE3  LYS   8           HE3      LYS   8  -0.136  -0.641   4.200
   70    HZ1  LYS   8           HZ1      LYS   8  -1.712   0.059   5.916
   71    HZ2  LYS   8           HZ2      LYS   8  -1.332  -1.227   6.855
   72    HZ3  LYS   8           HZ3      LYS   8  -0.217  -0.075   6.557
   73    H    ARG   9           H        ARG   9   2.362  -3.637   1.574
   74    HA   ARG   9           HA       ARG   9   4.120  -5.981   2.209
   75    HB2  ARG   9           HB2      ARG   9   3.537  -4.744  -0.423
   76    HB3  ARG   9           HB3      ARG   9   5.226  -4.621  -0.012
   77    HG2  ARG   9           HG2      ARG   9   4.765  -6.589  -1.359
   78    HG3  ARG   9           HG3      ARG   9   5.443  -7.031   0.222
   79    HD2  ARG   9           HD2      ARG   9   3.325  -7.768   1.031
   80    HD3  ARG   9           HD3      ARG   9   2.450  -7.056  -0.344
   81    HE   ARG   9           HE       ARG   9   3.887  -8.745  -1.732
   82   HH11  ARG   9          HH11      ARG   9   2.497  -9.512   1.399
   83   HH12  ARG   9          HH12      ARG   9   2.441 -11.219   1.042
   84   HH21  ARG   9          HH21      ARG   9   3.764 -10.908  -2.114
   85   HH22  ARG   9          HH22      ARG   9   3.132 -11.979  -0.894
   86    H    MET  10           H        MET  10   6.423  -5.358   2.433
   87    HA   MET  10           HA       MET  10   6.979  -2.533   2.957
   88    HB2  MET  10           HB2      MET  10   5.812  -3.389   5.042
   89    HB3  MET  10           HB3      MET  10   7.171  -4.511   5.260
   90    HG2  MET  10           HG2      MET  10   8.706  -2.503   5.346
   91    HG3  MET  10           HG3      MET  10   7.273  -1.471   5.200
   92    HE1  MET  10           HE1      MET  10   8.559  -3.919   8.903
   93    HE2  MET  10           HE2      MET  10   8.116  -4.739   7.393
   94    HE3  MET  10           HE3      MET  10   9.526  -3.654   7.436
   95    H    PHE  11           H        PHE  11   9.046  -2.012   2.754
   96    HA   PHE  11           HA       PHE  11  11.071  -3.930   1.980
   97    HB2  PHE  11           HB2      PHE  11  11.062  -0.949   2.398
   98    HB3  PHE  11           HB3      PHE  11  12.543  -1.840   2.040
   99    HD1  PHE  11           HD1      PHE  11  12.733  -3.192  -0.099
  100    HD2  PHE  11           HD2      PHE  11   9.565  -0.353   0.615
  101    HE1  PHE  11           HE1      PHE  11  12.287  -3.068  -2.541
  102    HE2  PHE  11           HE2      PHE  11   9.129  -0.225  -1.827
  103    HZ   PHE  11           HZ       PHE  11  10.488  -1.583  -3.407
  104    H    ALA  12           H        ALA  12  13.191  -4.197   2.919
  105    HA   ALA  12           HA       ALA  12  13.170  -4.878   5.679
  106    HB1  ALA  12           HB1      ALA  12  15.585  -5.247   5.328
  107    HB2  ALA  12           HB2      ALA  12  14.640  -5.895   3.974
  108    HB3  ALA  12           HB3      ALA  12  15.513  -4.353   3.795
  109    H    ASN  13           H        ASN  13  13.794  -1.790   4.181
  110    HA   ASN  13           HA       ASN  13  15.100  -0.590   6.514
  111    HB2  ASN  13           HB2      ASN  13  15.136   1.433   5.173
  112    HB3  ASN  13           HB3      ASN  13  15.695   0.054   4.214
  113   HD21  ASN  13          HD21      ASN  13  15.270   1.575   2.433
  114    H    GLY  14           H        GLY  14  11.888  -1.430   6.000
  115    HA2  GLY  14           HA2      GLY  14  10.121  -1.010   7.464
  116    HA3  GLY  14           HA3      GLY  14  10.924   0.445   8.078
  117    H    THR  15           H        THR  15  10.669   0.242   4.589
  118    HA   THR  15           HA       THR  15   8.639   2.411   4.551
  119    HB   THR  15           HB       THR  15  10.370   1.175   2.383
  120    HG1  THR  15           HG1      THR  15  11.556   2.259   3.806
  121   HG21  THR  15          HG21      THR  15   8.402   2.166   1.344
  122   HG22  THR  15          HG22      THR  15   8.667   3.681   2.250
  123   HG23  THR  15          HG23      THR  15   9.844   3.126   1.026
  124    H    VAL  16           H        VAL  16   6.541   2.045   4.044
  125    HA   VAL  16           HA       VAL  16   5.674  -0.701   3.359
  126    HB   VAL  16           HB       VAL  16   4.223   1.777   4.356
  127   HG11  VAL  16          HG11      VAL  16   2.609   0.522   3.013
  128   HG12  VAL  16          HG12      VAL  16   3.060  -0.990   3.839
  129   HG13  VAL  16          HG13      VAL  16   2.256   0.323   4.727
  130   HG21  VAL  16          HG21      VAL  16   5.646   0.632   6.040
  131   HG22  VAL  16          HG22      VAL  16   3.928   0.451   6.414
  132   HG23  VAL  16          HG23      VAL  16   4.820  -0.902   5.688
  133    H    TYR  17           H        TYR  17   4.457  -1.243   1.619
  134    HA   TYR  17           HA       TYR  17   3.522   0.702  -0.363
  135    HB2  TYR  17           HB2      TYR  17   4.790  -0.140  -2.212
  136    HB3  TYR  17           HB3      TYR  17   5.920   0.367  -0.970
  137    HD1  TYR  17           HD1      TYR  17   7.141  -1.385   0.408
  138    HD2  TYR  17           HD2      TYR  17   4.813  -2.363  -3.098
  139    HE1  TYR  17           HE1      TYR  17   8.418  -3.506   0.139
  140    HE2  TYR  17           HE2      TYR  17   6.060  -4.500  -3.332
  141    HH   TYR  17           HH       TYR  17   8.741  -5.370  -1.128
  142    H    TYR  18           H        TYR  18   2.808  -0.907  -2.365
  143    HA   TYR  18           HA       TYR  18   1.076  -3.022  -1.172
  144    HB2  TYR  18           HB2      TYR  18   0.370  -0.884  -3.211
  145    HB3  TYR  18           HB3      TYR  18  -0.671  -2.224  -2.719
  146    HD1  TYR  18           HD1      TYR  18   0.819   0.988  -1.649
  147    HD2  TYR  18           HD2      TYR  18  -1.760  -2.293  -0.553
  148    HE1  TYR  18           HE1      TYR  18  -0.014   2.301   0.291
  149    HE2  TYR  18           HE2      TYR  18  -2.644  -0.954   1.342
  150    HH   TYR  18           HH       TYR  18  -1.354   2.283   2.151
  151    H    PHE  19           H        PHE  19   0.590  -4.807  -2.343
  152    HA   PHE  19           HA       PHE  19   1.792  -5.162  -5.031
  153    HB2  PHE  19           HB2      PHE  19   3.470  -5.985  -3.603
  154    HB3  PHE  19           HB3      PHE  19   2.277  -6.801  -2.581
  155    HD1  PHE  19           HD1      PHE  19   4.054  -6.950  -5.819
  156    HD2  PHE  19           HD2      PHE  19   1.421  -9.026  -3.095
  157    HE1  PHE  19           HE1      PHE  19   4.428  -9.066  -7.064
  158    HE2  PHE  19           HE2      PHE  19   1.853 -11.144  -4.303
  159    HZ   PHE  19           HZ       PHE  19   3.335 -11.170  -6.301
  160    H    ASN  20           H        ASN  20   0.635  -6.290  -6.507
  161    HA   ASN  20           HA       ASN  20  -1.971  -7.399  -5.575
  162    HB2  ASN  20           HB2      ASN  20  -1.929  -5.629  -7.361
  163    HB3  ASN  20           HB3      ASN  20  -1.117  -6.802  -8.418
  164   HD21  ASN  20          HD21      ASN  20  -5.093  -6.970  -8.100
  165   HD22  ASN  20          HD22      ASN  20  -4.134  -5.588  -7.575
  166    H    HIS  21           H        HIS  21  -1.979  -9.520  -5.145
  167    HA   HIS  21           HA       HIS  21   0.222 -11.193  -6.090
  168    HB2  HIS  21           HB2      HIS  21  -0.210 -12.524  -4.358
  169    HB3  HIS  21           HB3      HIS  21  -1.062 -11.113  -3.744
  170    HD2  HIS  21           HD2      HIS  21  -3.867 -11.176  -4.212
  171    HE1  HIS  21           HE1      HIS  21  -4.066 -15.433  -4.293
  172    HE2  HIS  21           HE2      HIS  21  -5.430 -13.295  -4.069
  173    H    ILE  22           H        ILE  22  -2.842 -10.511  -7.430
  174    HA   ILE  22           HA       ILE  22  -3.176 -13.056  -8.836
  175    HB   ILE  22           HB       ILE  22  -4.446 -10.352  -9.409
  176   HG12  ILE  22          HG12      ILE  22  -4.924 -10.891  -7.078
  177   HG13  ILE  22          HG13      ILE  22  -6.368 -10.950  -8.090
  178   HG21  ILE  22          HG21      ILE  22  -6.273 -11.728 -10.391
  179   HG22  ILE  22          HG22      ILE  22  -4.734 -11.851 -11.248
  180   HG23  ILE  22          HG23      ILE  22  -5.251 -13.170 -10.177
  181   HD11  ILE  22          HD11      ILE  22  -4.821 -13.385  -7.102
  182   HD12  ILE  22          HD12      ILE  22  -6.333 -12.748  -6.421
  183   HD13  ILE  22          HD13      ILE  22  -6.321 -13.415  -8.061
  184    H    THR  23           H        THR  23  -1.956  -9.788  -9.507
  185    HA   THR  23           HA       THR  23  -1.178 -10.545 -12.270
  186    HB   THR  23           HB       THR  23  -1.480  -8.324 -12.928
  187    HG1  THR  23           HG1      THR  23  -2.167  -6.837 -11.164
  188   HG21  THR  23          HG21      THR  23  -3.645  -9.554 -12.438
  189   HG22  THR  23          HG22      THR  23  -3.710  -8.685 -10.886
  190   HG23  THR  23          HG23      THR  23  -3.750  -7.785 -12.414
  191    H    ASN  24           H        ASN  24   0.368  -9.961  -9.362
  192    HA   ASN  24           HA       ASN  24   2.410  -9.538  -8.657
  193    HB2  ASN  24           HB2      ASN  24   3.391 -10.134 -11.466
  194    HB3  ASN  24           HB3      ASN  24   4.389 -10.033 -10.009
  195   HD21  ASN  24          HD21      ASN  24   2.970 -12.241 -12.013
  196   HD22  ASN  24          HD22      ASN  24   2.819 -13.560 -10.848
  197    H    ALA  25           H        ALA  25   0.742  -7.327 -10.096
  198    HA   ALA  25           HA       ALA  25   2.667  -5.241 -10.664
  199    HB1  ALA  25           HB1      ALA  25   0.711  -3.764 -10.554
  200    HB2  ALA  25           HB2      ALA  25   0.335  -5.219 -11.494
  201    HB3  ALA  25           HB3      ALA  25  -0.257  -5.058  -9.823
  202    H    SER  26           H        SER  26   2.935  -3.256  -9.352
  203    HA   SER  26           HA       SER  26   2.375  -3.409  -6.497
  204    HB2  SER  26           HB2      SER  26   4.692  -2.982  -5.765
  205    HB3  SER  26           HB3      SER  26   4.459  -4.593  -6.442
  206    HG   SER  26           HG       SER  26   5.425  -3.906  -8.348
  207    H    GLN  27           H        GLN  27   2.559  -1.493  -5.355
  208    HA   GLN  27           HA       GLN  27   3.104   1.040  -6.804
  209    HB2  GLN  27           HB2      GLN  27   0.401   0.186  -5.696
  210    HB3  GLN  27           HB3      GLN  27   0.890   1.882  -5.737
  211    HG2  GLN  27           HG2      GLN  27   1.156   1.856  -8.122
  212    HG3  GLN  27           HG3      GLN  27   0.736   0.131  -8.198
  213   HE21  GLN  27          HE21      GLN  27  -1.079   2.267  -5.939
  214   HE22  GLN  27          HE22      GLN  27  -2.499   2.349  -6.985
  215    H    PHE  28           H        PHE  28   3.799   2.675  -5.511
  216    HA   PHE  28           HA       PHE  28   4.014   2.209  -2.609
  217    HB2  PHE  28           HB2      PHE  28   5.973   3.095  -3.398
  218    HB3  PHE  28           HB3      PHE  28   5.158   4.239  -4.473
  219    HD1  PHE  28           HD1      PHE  28   4.270   6.365  -3.690
  220    HD2  PHE  28           HD2      PHE  28   6.223   3.635  -0.977
  221    HE1  PHE  28           HE1      PHE  28   4.411   8.162  -1.988
  222    HE2  PHE  28           HE2      PHE  28   6.386   5.444   0.719
  223    HZ   PHE  28           HZ       PHE  28   5.480   7.709   0.220
  224    H    GLU  29           H        GLU  29   2.044   4.140  -4.751
  225    HA   GLU  29           HA       GLU  29   0.637   5.472  -2.558
  226    HB2  GLU  29           HB2      GLU  29   0.964   6.757  -4.520
  227    HB3  GLU  29           HB3      GLU  29   0.409   5.457  -5.566
  228    HG2  GLU  29           HG2      GLU  29  -1.209   7.186  -5.551
  229    HG3  GLU  29           HG3      GLU  29  -1.900   5.749  -4.820
  230    H    ARG  30           H        ARG  30  -1.300   5.015  -1.767
  231    HA   ARG  30           HA       ARG  30  -2.087   2.348  -1.515
  232    HB2  ARG  30           HB2      ARG  30  -2.394   3.820   0.252
  233    HB3  ARG  30           HB3      ARG  30  -3.243   5.002  -0.725
  234    HG2  ARG  30           HG2      ARG  30  -4.626   3.893   0.962
  235    HG3  ARG  30           HG3      ARG  30  -5.262   3.807  -0.689
  236    HD2  ARG  30           HD2      ARG  30  -3.784   1.408  -0.267
  237    HD3  ARG  30           HD3      ARG  30  -4.637   1.685   1.233
  238    HE   ARG  30           HE       ARG  30  -5.836   1.310  -1.487
  239   HH11  ARG  30          HH11      ARG  30  -6.529   1.568   1.960
  240   HH12  ARG  30          HH12      ARG  30  -8.217   1.206   1.682
  241   HH21  ARG  30          HH21      ARG  30  -7.910   0.971  -1.716
  242   HH22  ARG  30          HH22      ARG  30  -8.944   0.689  -0.310
  243    HA   PRO  31           HA       PRO  31  -4.244   1.931  -5.392
  244    HB2  PRO  31           HB2      PRO  31  -4.983  -0.726  -5.234
  245    HB3  PRO  31           HB3      PRO  31  -3.316  -0.160  -5.561
  246    HG2  PRO  31           HG2      PRO  31  -4.496  -0.947  -2.863
  247    HG3  PRO  31           HG3      PRO  31  -2.973  -1.521  -3.619
  248    HD2  PRO  31           HD2      PRO  31  -2.933   0.451  -1.846
  249    HD3  PRO  31           HD3      PRO  31  -1.934   0.591  -3.324
  250    H    SER  32           H        SER  32  -6.266   1.958  -6.253
  251    HA   SER  32           HA       SER  32  -8.632   1.643  -4.433
  252    HB2  SER  32           HB2      SER  32  -8.198   3.605  -6.707
  253    HB3  SER  32           HB3      SER  32  -9.736   3.355  -5.863
  254    HG   SER  32           HG       SER  32  -7.288   4.151  -4.659
  255    H    GLY  33           H        GLY  33  -7.161   0.157  -7.041
  256    HA2  GLY  33           HA2      GLY  33  -9.023  -1.811  -7.529
  257    HA3  GLY  33           HA3      GLY  33  -9.488  -0.541  -8.662
  258    H1B  XYP 101           H1       XYP  34  12.373   1.769   1.721
  259    H2B  XYP 101           H2       XYP  34  14.715   3.551   0.875
  260    H3B  XYP 101           H3       XYP  34  11.769   3.819   0.121
  261    H4B  XYP 101           H4       XYP  34  14.065   2.883  -1.668
  262   H5B1  XYP 101          H5E       XYP  34  12.928   0.670  -1.661
  263   H5B2  XYP 101          H5A       XYP  34  11.727   1.280  -0.511
  264   HO2B  XYP 101          H2O       XYP  34  12.415   3.902   2.550
  265   HO3B  XYP 101          H3O       XYP  34  13.134   5.742   0.162
  266   HO4B  XYP 101          H4O       XYP  34  12.250   4.107  -2.556
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -12.720  -2.104   3.721
    2    H2   LYS   1           H2       LYS   1 -12.059  -3.176   2.677
    3    H3   LYS   1           H3       LYS   1 -12.720  -1.783   2.120
    4    HA   LYS   1           HA       LYS   1 -11.076  -0.452   3.213
    5    HB2  LYS   1           HB2      LYS   1 -10.643  -1.862   5.133
    6    HB3  LYS   1           HB3      LYS   1  -9.936  -3.120   4.117
    7    HG2  LYS   1           HG2      LYS   1  -8.091  -1.536   3.477
    8    HG3  LYS   1           HG3      LYS   1  -8.804  -0.313   4.543
    9    HD2  LYS   1           HD2      LYS   1  -8.425  -1.750   6.491
   10    HD3  LYS   1           HD3      LYS   1  -7.874  -3.080   5.445
   11    HE2  LYS   1           HE2      LYS   1  -5.987  -1.689   4.640
   12    HE3  LYS   1           HE3      LYS   1  -6.527  -0.352   5.669
   13    HZ1  LYS   1           HZ1      LYS   1  -6.163  -1.784   7.610
   14    HZ2  LYS   1           HZ2      LYS   1  -5.648  -3.012   6.664
   15    HZ3  LYS   1           HZ3      LYS   1  -4.780  -1.631   6.761
   16    H    LEU   2           H        LEU   2  -9.488  -3.444   1.983
   17    HA   LEU   2           HA       LEU   2  -8.194  -1.791  -0.069
   18    HB2  LEU   2           HB2      LEU   2  -7.060  -3.207   1.779
   19    HB3  LEU   2           HB3      LEU   2  -7.546  -4.612   0.819
   20    HG   LEU   2           HG       LEU   2  -6.233  -3.565  -1.121
   21   HD11  LEU   2          HD11      LEU   2  -5.160  -1.827   1.162
   22   HD12  LEU   2          HD12      LEU   2  -4.480  -1.946  -0.483
   23   HD13  LEU   2          HD13      LEU   2  -6.074  -1.231  -0.244
   24   HD21  LEU   2          HD21      LEU   2  -5.385  -5.406   0.287
   25   HD22  LEU   2          HD22      LEU   2  -4.071  -4.314  -0.209
   26   HD23  LEU   2          HD23      LEU   2  -4.738  -4.233   1.446
   27    HA   PRO   3           HA       PRO   3 -10.720  -3.702  -3.200
   28    HB2  PRO   3           HB2      PRO   3  -9.283  -3.141  -5.503
   29    HB3  PRO   3           HB3      PRO   3 -10.274  -1.954  -4.598
   30    HG2  PRO   3           HG2      PRO   3  -7.287  -2.417  -4.405
   31    HG3  PRO   3           HG3      PRO   3  -8.164  -0.871  -4.551
   32    HD2  PRO   3           HD2      PRO   3  -7.287  -1.799  -2.170
   33    HD3  PRO   3           HD3      PRO   3  -8.866  -0.963  -2.317
   34    HA   PRO   4           HA       PRO   4  -9.557  -7.816  -3.965
   35    HB2  PRO   4           HB2      PRO   4 -10.276  -7.461  -6.882
   36    HB3  PRO   4           HB3      PRO   4 -10.743  -8.778  -5.755
   37    HG2  PRO   4           HG2      PRO   4 -12.490  -6.788  -6.285
   38    HG3  PRO   4           HG3      PRO   4 -12.260  -7.330  -4.588
   39    HD2  PRO   4           HD2      PRO   4 -11.055  -4.921  -5.974
   40    HD3  PRO   4           HD3      PRO   4 -11.815  -5.044  -4.358
   41    H    GLY   5           H        GLY   5  -7.835  -9.074  -4.406
   42    HA2  GLY   5           HA2      GLY   5  -5.902  -9.881  -5.342
   43    HA3  GLY   5           HA3      GLY   5  -5.969  -8.619  -6.589
   44    H    TRP   6           H        TRP   6  -6.038  -6.509  -4.281
   45    HA   TRP   6           HA       TRP   6  -3.141  -6.251  -4.031
   46    HB2  TRP   6           HB2      TRP   6  -5.399  -4.537  -3.007
   47    HB3  TRP   6           HB3      TRP   6  -3.695  -4.177  -2.766
   48    HD1  TRP   6           HD1      TRP   6  -6.406  -4.130  -5.365
   49    HE1  TRP   6           HE1      TRP   6  -5.640  -2.873  -7.475
   50    HE3  TRP   6           HE3      TRP   6  -1.440  -3.734  -4.259
   51    HZ2  TRP   6           HZ2      TRP   6  -3.113  -2.075  -8.652
   52    HZ3  TRP   6           HZ3      TRP   6   0.152  -2.709  -5.919
   53    HH2  TRP   6           HH2      TRP   6  -0.680  -1.924  -8.110
   54    H    GLU   7           H        GLU   7  -1.904  -6.149  -2.198
   55    HA   GLU   7           HA       GLU   7  -3.000  -6.783   0.458
   56    HB2  GLU   7           HB2      GLU   7  -2.524  -8.990  -0.449
   57    HB3  GLU   7           HB3      GLU   7  -1.000  -8.446  -1.113
   58    HG2  GLU   7           HG2      GLU   7  -0.635  -9.911   0.748
   59    HG3  GLU   7           HG3      GLU   7   0.035  -8.320   1.048
   60    H    LYS   8           H        LYS   8  -1.759  -5.908   2.150
   61    HA   LYS   8           HA       LYS   8   0.145  -3.826   1.407
   62    HB2  LYS   8           HB2      LYS   8  -0.954  -4.768   4.057
   63    HB3  LYS   8           HB3      LYS   8   0.461  -3.700   3.983
   64    HG2  LYS   8           HG2      LYS   8  -0.777  -2.131   2.519
   65    HG3  LYS   8           HG3      LYS   8  -2.211  -3.169   2.646
   66    HD2  LYS   8           HD2      LYS   8  -2.563  -1.381   4.149
   67    HD3  LYS   8           HD3      LYS   8  -2.103  -2.753   5.182
   68    HE2  LYS   8           HE2      LYS   8   0.265  -1.893   5.211
   69    HE3  LYS   8           HE3      LYS   8  -0.233  -0.534   4.197
   70    HZ1  LYS   8           HZ1      LYS   8  -0.172   0.078   6.542
   71    HZ2  LYS   8           HZ2      LYS   8  -1.707   0.184   6.001
   72    HZ3  LYS   8           HZ3      LYS   8  -1.248  -1.081   6.936
   73    H    ARG   9           H        ARG   9   2.234  -3.633   1.780
   74    HA   ARG   9           HA       ARG   9   3.956  -6.000   2.407
   75    HB2  ARG   9           HB2      ARG   9   3.298  -4.896  -0.244
   76    HB3  ARG   9           HB3      ARG   9   4.985  -4.647   0.105
   77    HG2  ARG   9           HG2      ARG   9   4.655  -6.697  -1.126
   78    HG3  ARG   9           HG3      ARG   9   5.326  -7.055   0.479
   79    HD2  ARG   9           HD2      ARG   9   3.229  -7.846   1.287
   80    HD3  ARG   9           HD3      ARG   9   2.340  -7.199  -0.112
   81    HE   ARG   9           HE       ARG   9   3.943  -8.906  -1.387
   82   HH11  ARG   9          HH11      ARG   9   2.925 -12.082  -0.586
   83   HH12  ARG   9          HH12      ARG   9   3.753 -11.075  -1.742
   84   HH21  ARG   9          HH21      ARG   9   2.143  -9.525   1.558
   85   HH22  ARG   9          HH22      ARG   9   2.040 -11.237   1.233
   86    H    MET  10           H        MET  10   6.287  -5.409   2.522
   87    HA   MET  10           HA       MET  10   6.915  -2.583   2.938
   88    HB2  MET  10           HB2      MET  10   5.833  -3.342   5.102
   89    HB3  MET  10           HB3      MET  10   7.170  -4.493   5.292
   90    HG2  MET  10           HG2      MET  10   8.761  -2.529   5.244
   91    HG3  MET  10           HG3      MET  10   7.353  -1.461   5.128
   92    HE1  MET  10           HE1      MET  10   8.744  -3.824   8.848
   93    HE2  MET  10           HE2      MET  10   8.210  -4.679   7.387
   94    HE3  MET  10           HE3      MET  10   9.646  -3.631   7.330
   95    H    PHE  11           H        PHE  11   8.981  -2.110   2.625
   96    HA   PHE  11           HA       PHE  11  10.912  -4.094   1.789
   97    HB2  PHE  11           HB2      PHE  11  11.014  -1.099   2.122
   98    HB3  PHE  11           HB3      PHE  11  12.430  -2.049   1.673
   99    HD1  PHE  11           HD1      PHE  11  12.342  -3.541  -0.410
  100    HD2  PHE  11           HD2      PHE  11   9.463  -0.438   0.415
  101    HE1  PHE  11           HE1      PHE  11  11.707  -3.486  -2.812
  102    HE2  PHE  11           HE2      PHE  11   8.843  -0.374  -1.988
  103    HZ   PHE  11           HZ       PHE  11   9.960  -1.901  -3.603
  104    H    ALA  12           H        ALA  12  13.097  -4.346   2.587
  105    HA   ALA  12           HA       ALA  12  13.249  -4.991   5.347
  106    HB1  ALA  12           HB1      ALA  12  15.470  -4.490   3.314
  107    HB2  ALA  12           HB2      ALA  12  15.638  -5.367   4.850
  108    HB3  ALA  12           HB3      ALA  12  14.610  -6.028   3.566
  109    H    ASN  13           H        ASN  13  13.821  -1.919   3.768
  110    HA   ASN  13           HA       ASN  13  15.222  -0.727   6.058
  111    HB2  ASN  13           HB2      ASN  13  15.322   1.273   4.701
  112    HB3  ASN  13           HB3      ASN  13  15.824  -0.137   3.760
  113   HD21  ASN  13          HD21      ASN  13  15.481   1.099   1.874
  114    H    GLY  14           H        GLY  14  12.005  -1.510   5.674
  115    HA2  GLY  14           HA2      GLY  14  10.304  -1.021   7.182
  116    HA3  GLY  14           HA3      GLY  14  11.160   0.426   7.739
  117    H    THR  15           H        THR  15  10.743   0.164   4.268
  118    HA   THR  15           HA       THR  15   8.747   2.364   4.283
  119    HB   THR  15           HB       THR  15  10.368   1.064   2.059
  120    HG1  THR  15           HG1      THR  15  11.691   2.176   3.240
  121   HG21  THR  15          HG21      THR  15   9.764   3.045   0.713
  122   HG22  THR  15          HG22      THR  15   8.372   2.017   1.056
  123   HG23  THR  15          HG23      THR  15   8.597   3.530   1.972
  124    H    VAL  16           H        VAL  16   6.620   2.026   3.869
  125    HA   VAL  16           HA       VAL  16   5.687  -0.736   3.307
  126    HB   VAL  16           HB       VAL  16   4.348   1.798   4.319
  127   HG11  VAL  16          HG11      VAL  16   2.301   0.458   4.701
  128   HG12  VAL  16          HG12      VAL  16   2.636   0.668   2.984
  129   HG13  VAL  16          HG13      VAL  16   3.007  -0.883   3.774
  130   HG21  VAL  16          HG21      VAL  16   4.006   0.457   6.358
  131   HG22  VAL  16          HG22      VAL  16   4.787  -0.940   5.592
  132   HG23  VAL  16          HG23      VAL  16   5.728   0.525   5.952
  133    H    TYR  17           H        TYR  17   4.452  -1.306   1.607
  134    HA   TYR  17           HA       TYR  17   3.556   0.639  -0.408
  135    HB2  TYR  17           HB2      TYR  17   4.607  -0.405  -2.265
  136    HB3  TYR  17           HB3      TYR  17   5.828   0.148  -1.124
  137    HD1  TYR  17           HD1      TYR  17   7.042  -1.555   0.350
  138    HD2  TYR  17           HD2      TYR  17   4.573  -2.650  -3.011
  139    HE1  TYR  17           HE1      TYR  17   8.274  -3.709   0.138
  140    HE2  TYR  17           HE2      TYR  17   5.793  -4.817  -3.203
  141    HH   TYR  17           HH       TYR  17   8.526  -5.632  -1.050
  142    H    TYR  18           H        TYR  18   2.438  -0.815  -2.257
  143    HA   TYR  18           HA       TYR  18   0.872  -3.020  -1.003
  144    HB2  TYR  18           HB2      TYR  18  -0.032  -0.997  -3.084
  145    HB3  TYR  18           HB3      TYR  18  -0.956  -2.378  -2.496
  146    HD1  TYR  18           HD1      TYR  18  -1.993  -2.423  -0.329
  147    HD2  TYR  18           HD2      TYR  18   0.360   0.968  -1.586
  148    HE1  TYR  18           HE1      TYR  18  -2.930  -1.087   1.525
  149    HE2  TYR  18           HE2      TYR  18  -0.556   2.304   0.308
  150    HH   TYR  18           HH       TYR  18  -3.007   0.967   2.544
  151    H    PHE  19           H        PHE  19   0.495  -4.845  -2.146
  152    HA   PHE  19           HA       PHE  19   1.772  -5.165  -4.802
  153    HB2  PHE  19           HB2      PHE  19   3.393  -6.011  -3.392
  154    HB3  PHE  19           HB3      PHE  19   2.195  -6.773  -2.337
  155    HD1  PHE  19           HD1      PHE  19   3.933  -7.074  -5.599
  156    HD2  PHE  19           HD2      PHE  19   1.320  -8.998  -2.749
  157    HE1  PHE  19           HE1      PHE  19   4.294  -9.244  -6.731
  158    HE2  PHE  19           HE2      PHE  19   1.732 -11.174  -3.856
  159    HZ   PHE  19           HZ       PHE  19   3.202 -11.306  -5.859
  160    H    ASN  20           H        ASN  20   0.740  -6.210  -6.361
  161    HA   ASN  20           HA       ASN  20  -1.979  -7.237  -5.733
  162    HB2  ASN  20           HB2      ASN  20  -1.646  -5.487  -7.477
  163    HB3  ASN  20           HB3      ASN  20  -0.692  -6.648  -8.422
  164   HD21  ASN  20          HD21      ASN  20  -3.356  -5.283  -8.942
  165   HD22  ASN  20          HD22      ASN  20  -4.432  -6.635  -9.303
  166    H    HIS  21           H        HIS  21  -1.927  -9.347  -5.112
  167    HA   HIS  21           HA       HIS  21   0.251 -11.091  -5.939
  168    HB2  HIS  21           HB2      HIS  21  -0.317 -12.406  -4.231
  169    HB3  HIS  21           HB3      HIS  21  -1.166 -10.968  -3.674
  170    HD2  HIS  21           HD2      HIS  21  -3.937 -10.973  -4.266
  171    HE1  HIS  21           HE1      HIS  21  -4.233 -15.224  -4.386
  172    HE2  HIS  21           HE2      HIS  21  -5.556 -13.055  -4.212
  173    H    ILE  22           H        ILE  22  -2.708 -10.351  -7.461
  174    HA   ILE  22           HA       ILE  22  -3.041 -12.899  -8.847
  175    HB   ILE  22           HB       ILE  22  -4.193 -10.163  -9.509
  176   HG12  ILE  22          HG12      ILE  22  -4.822 -10.687  -7.212
  177   HG13  ILE  22          HG13      ILE  22  -6.209 -10.725  -8.302
  178   HG21  ILE  22          HG21      ILE  22  -4.428 -11.650 -11.367
  179   HG22  ILE  22          HG22      ILE  22  -5.033 -12.958 -10.329
  180   HG23  ILE  22          HG23      ILE  22  -6.006 -11.490 -10.591
  181   HD11  ILE  22          HD11      ILE  22  -6.195 -13.195  -8.273
  182   HD12  ILE  22          HD12      ILE  22  -4.755 -13.183  -7.226
  183   HD13  ILE  22          HD13      ILE  22  -6.296 -12.528  -6.636
  184    H    THR  23           H        THR  23  -1.653  -9.697  -9.501
  185    HA   THR  23           HA       THR  23  -0.768 -10.524 -12.215
  186    HB   THR  23           HB       THR  23  -0.970  -8.308 -12.928
  187    HG1  THR  23           HG1      THR  23  -1.705  -6.772 -11.217
  188   HG21  THR  23          HG21      THR  23  -3.313  -8.575 -11.000
  189   HG22  THR  23          HG22      THR  23  -3.247  -7.683 -12.532
  190   HG23  THR  23          HG23      THR  23  -3.194  -9.455 -12.542
  191    H    ASN  24           H        ASN  24   0.620  -9.908  -9.236
  192    HA   ASN  24           HA       ASN  24   2.621  -9.542  -8.417
  193    HB2  ASN  24           HB2      ASN  24   3.746 -10.247 -11.145
  194    HB3  ASN  24           HB3      ASN  24   4.671 -10.116  -9.643
  195   HD21  ASN  24          HD21      ASN  24   3.275 -12.360 -11.634
  196   HD22  ASN  24          HD22      ASN  24   3.042 -13.630 -10.428
  197    H    ALA  25           H        ALA  25   1.142  -7.302 -10.047
  198    HA   ALA  25           HA       ALA  25   3.194  -5.285 -10.421
  199    HB1  ALA  25           HB1      ALA  25   0.203  -4.994  -9.900
  200    HB2  ALA  25           HB2      ALA  25   1.292  -3.739 -10.520
  201    HB3  ALA  25           HB3      ALA  25   0.964  -5.182 -11.498
  202    H    SER  26           H        SER  26   3.510  -3.365  -9.053
  203    HA   SER  26           HA       SER  26   2.513  -3.412  -6.322
  204    HB2  SER  26           HB2      SER  26   4.713  -3.334  -5.218
  205    HB3  SER  26           HB3      SER  26   4.389  -4.891  -5.983
  206    HG   SER  26           HG       SER  26   5.731  -4.304  -7.686
  207    H    GLN  27           H        GLN  27   2.665  -1.508  -5.199
  208    HA   GLN  27           HA       GLN  27   4.025   0.864  -6.203
  209    HB2  GLN  27           HB2      GLN  27   2.098   2.115  -6.896
  210    HB3  GLN  27           HB3      GLN  27   2.058   0.582  -7.773
  211    HG2  GLN  27           HG2      GLN  27   0.364  -0.266  -6.116
  212    HG3  GLN  27           HG3      GLN  27   0.348   1.330  -5.379
  213   HE21  GLN  27          HE21      GLN  27  -1.566   2.277  -5.936
  214   HE22  GLN  27          HE22      GLN  27  -2.237   2.279  -7.580
  215    H    PHE  28           H        PHE  28   4.091   2.502  -4.541
  216    HA   PHE  28           HA       PHE  28   2.749   1.814  -2.006
  217    HB2  PHE  28           HB2      PHE  28   4.026   3.861  -1.116
  218    HB3  PHE  28           HB3      PHE  28   4.808   2.305  -1.393
  219    HD1  PHE  28           HD1      PHE  28   4.018   5.361  -3.467
  220    HD2  PHE  28           HD2      PHE  28   6.896   2.385  -2.280
  221    HE1  PHE  28           HE1      PHE  28   5.639   6.337  -5.054
  222    HE2  PHE  28           HE2      PHE  28   8.576   3.400  -3.846
  223    HZ   PHE  28           HZ       PHE  28   7.943   5.369  -5.237
  224    H    GLU  29           H        GLU  29   1.974   3.827  -4.589
  225    HA   GLU  29           HA       GLU  29   0.290   5.701  -3.177
  226    HB2  GLU  29           HB2      GLU  29   1.141   6.097  -5.449
  227    HB3  GLU  29           HB3      GLU  29   0.323   4.652  -6.030
  228    HG2  GLU  29           HG2      GLU  29  -0.946   6.508  -6.749
  229    HG3  GLU  29           HG3      GLU  29  -1.892   5.664  -5.533
  230    H    ARG  30           H        ARG  30  -1.456   5.173  -2.012
  231    HA   ARG  30           HA       ARG  30  -2.301   2.579  -1.650
  232    HB2  ARG  30           HB2      ARG  30  -2.494   4.251  -0.001
  233    HB3  ARG  30           HB3      ARG  30  -3.677   5.175  -0.923
  234    HG2  ARG  30           HG2      ARG  30  -4.254   2.317  -0.062
  235    HG3  ARG  30           HG3      ARG  30  -4.416   3.656   1.084
  236    HD2  ARG  30           HD2      ARG  30  -6.372   4.337   0.243
  237    HD3  ARG  30           HD3      ARG  30  -5.768   4.342  -1.400
  238    HE   ARG  30           HE       ARG  30  -6.490   2.134  -1.758
  239   HH11  ARG  30          HH11      ARG  30  -7.338   3.009   1.555
  240   HH12  ARG  30          HH12      ARG  30  -8.625   1.826   1.577
  241   HH21  ARG  30          HH21      ARG  30  -8.093   0.794  -1.649
  242   HH22  ARG  30          HH22      ARG  30  -9.017   0.554  -0.158
  243    HA   PRO  31           HA       PRO  31  -4.554   1.847  -5.342
  244    HB2  PRO  31           HB2      PRO  31  -5.422  -0.725  -4.946
  245    HB3  PRO  31           HB3      PRO  31  -3.716  -0.263  -5.228
  246    HG2  PRO  31           HG2      PRO  31  -5.062  -0.757  -2.551
  247    HG3  PRO  31           HG3      PRO  31  -3.521  -1.443  -3.164
  248    HD2  PRO  31           HD2      PRO  31  -3.559   0.726  -1.559
  249    HD3  PRO  31           HD3      PRO  31  -2.408   0.623  -2.928
  250    H    SER  32           H        SER  32  -6.454   2.531  -6.063
  251    HA   SER  32           HA       SER  32  -8.923   2.355  -4.431
  252    HB2  SER  32           HB2      SER  32  -9.859   3.828  -6.166
  253    HB3  SER  32           HB3      SER  32  -8.389   4.495  -5.435
  254    HG   SER  32           HG       SER  32  -8.387   4.669  -7.723
  255    H    GLY  33           H        GLY  33  -7.431   0.704  -7.106
  256    HA2  GLY  33           HA2      GLY  33  -9.189  -1.483  -7.221
  257    HA3  GLY  33           HA3      GLY  33  -9.766  -0.342  -8.435
  258    H1B  XYP 101           H1       XYP  34  12.688   1.947   1.276
  259    H2B  XYP 101           H2       XYP  34  15.319   2.536  -0.188
  260    H3B  XYP 101           H3       XYP  34  12.508   3.624  -0.715
  261    H4B  XYP 101           H4       XYP  34  14.152   1.676  -2.410
  262   H5B1  XYP 101          H5E       XYP  34  12.487  -0.034  -1.801
  263   H5B2  XYP 101          H5A       XYP  34  11.610   1.131  -0.790
  264   HO2B  XYP 101          H2O       XYP  34  14.860   3.653   1.854
  265   HO3B  XYP 101          H3O       XYP  34  14.360   4.986  -1.241
  266   HO4B  XYP 101          H4O       XYP  34  12.661   3.210  -3.418
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1 -12.518  -1.520   2.080
    2    H2   LYS   1           H2       LYS   1 -12.510  -1.644   3.708
    3    H3   LYS   1           H3       LYS   1 -11.801  -2.805   2.802
    4    HA   LYS   1           HA       LYS   1 -10.937   0.006   3.008
    5    HB2  LYS   1           HB2      LYS   1 -10.467  -1.237   5.076
    6    HB3  LYS   1           HB3      LYS   1  -9.606  -2.475   4.161
    7    HG2  LYS   1           HG2      LYS   1  -7.960  -0.674   3.410
    8    HG3  LYS   1           HG3      LYS   1  -8.842   0.468   4.427
    9    HD2  LYS   1           HD2      LYS   1  -6.928  -0.234   5.657
   10    HD3  LYS   1           HD3      LYS   1  -8.320  -1.024   6.413
   11    HE2  LYS   1           HE2      LYS   1  -7.791  -3.111   5.116
   12    HE3  LYS   1           HE3      LYS   1  -6.397  -2.292   4.396
   13    HZ1  LYS   1           HZ1      LYS   1  -5.476  -2.063   6.648
   14    HZ2  LYS   1           HZ2      LYS   1  -6.766  -2.825   7.298
   15    HZ3  LYS   1           HZ3      LYS   1  -5.752  -3.637   6.313
   16    H    LEU   2           H        LEU   2  -9.383  -3.122   2.056
   17    HA   LEU   2           HA       LEU   2  -8.001  -1.697  -0.083
   18    HB2  LEU   2           HB2      LEU   2  -6.986  -3.161   1.764
   19    HB3  LEU   2           HB3      LEU   2  -7.615  -4.546   0.855
   20    HG   LEU   2           HG       LEU   2  -6.226  -3.668  -1.115
   21   HD11  LEU   2          HD11      LEU   2  -4.337  -2.170  -0.509
   22   HD12  LEU   2          HD12      LEU   2  -5.880  -1.333  -0.304
   23   HD13  LEU   2          HD13      LEU   2  -5.024  -1.958   1.119
   24   HD21  LEU   2          HD21      LEU   2  -5.509  -5.540   0.307
   25   HD22  LEU   2          HD22      LEU   2  -4.113  -4.549  -0.176
   26   HD23  LEU   2          HD23      LEU   2  -4.794  -4.405   1.467
   27    HA   PRO   3           HA       PRO   3 -10.633  -3.531  -3.202
   28    HB2  PRO   3           HB2      PRO   3  -8.418  -3.314  -5.176
   29    HB3  PRO   3           HB3      PRO   3 -10.038  -2.565  -5.204
   30    HG2  PRO   3           HG2      PRO   3  -7.769  -1.126  -4.663
   31    HG3  PRO   3           HG3      PRO   3  -9.342  -0.767  -3.879
   32    HD2  PRO   3           HD2      PRO   3  -7.001  -2.328  -2.735
   33    HD3  PRO   3           HD3      PRO   3  -8.032  -1.069  -1.998
   34    HA   PRO   4           HA       PRO   4  -9.702  -7.859  -3.713
   35    HB2  PRO   4           HB2      PRO   4 -10.513  -7.567  -6.608
   36    HB3  PRO   4           HB3      PRO   4 -11.017  -8.805  -5.411
   37    HG2  PRO   4           HG2      PRO   4 -12.670  -6.747  -5.997
   38    HG3  PRO   4           HG3      PRO   4 -12.435  -7.235  -4.284
   39    HD2  PRO   4           HD2      PRO   4 -11.116  -4.953  -5.784
   40    HD3  PRO   4           HD3      PRO   4 -11.869  -4.961  -4.157
   41    H    GLY   5           H        GLY   5  -7.994  -9.159  -4.215
   42    HA2  GLY   5           HA2      GLY   5  -6.115  -9.994  -5.242
   43    HA3  GLY   5           HA3      GLY   5  -6.260  -8.763  -6.510
   44    H    TRP   6           H        TRP   6  -6.188  -6.724  -4.038
   45    HA   TRP   6           HA       TRP   6  -3.261  -6.427  -4.055
   46    HB2  TRP   6           HB2      TRP   6  -5.467  -4.711  -2.936
   47    HB3  TRP   6           HB3      TRP   6  -3.758  -4.357  -2.732
   48    HD1  TRP   6           HD1      TRP   6  -6.512  -4.337  -5.294
   49    HE1  TRP   6           HE1      TRP   6  -5.793  -3.072  -7.415
   50    HE3  TRP   6           HE3      TRP   6  -1.545  -3.839  -4.235
   51    HZ2  TRP   6           HZ2      TRP   6  -3.287  -2.292  -8.644
   52    HZ3  TRP   6           HZ3      TRP   6   0.018  -2.857  -5.947
   53    HH2  TRP   6           HH2      TRP   6  -0.846  -2.129  -8.142
   54    H    GLU   7           H        GLU   7  -1.918  -6.282  -2.294
   55    HA   GLU   7           HA       GLU   7  -2.855  -6.952   0.413
   56    HB2  GLU   7           HB2      GLU   7  -2.366  -9.134  -0.467
   57    HB3  GLU   7           HB3      GLU   7  -0.913  -8.564  -1.263
   58    HG2  GLU   7           HG2      GLU   7  -0.371  -9.994   0.588
   59    HG3  GLU   7           HG3      GLU   7   0.289  -8.387   0.803
   60    H    LYS   8           H        LYS   8  -1.520  -6.132   2.046
   61    HA   LYS   8           HA       LYS   8   0.241  -3.916   1.262
   62    HB2  LYS   8           HB2      LYS   8  -0.726  -4.950   3.932
   63    HB3  LYS   8           HB3      LYS   8   0.628  -3.808   3.824
   64    HG2  LYS   8           HG2      LYS   8  -0.733  -2.261   2.473
   65    HG3  LYS   8           HG3      LYS   8  -2.105  -3.380   2.571
   66    HD2  LYS   8           HD2      LYS   8  -2.526  -1.682   4.172
   67    HD3  LYS   8           HD3      LYS   8  -1.990  -3.083   5.119
   68    HE2  LYS   8           HE2      LYS   8   0.328  -2.107   5.175
   69    HE3  LYS   8           HE3      LYS   8  -0.253  -0.721   4.241
   70    HZ1  LYS   8           HZ1      LYS   8  -1.215  -1.475   6.951
   71    HZ2  LYS   8           HZ2      LYS   8  -0.204  -0.239   6.621
   72    HZ3  LYS   8           HZ3      LYS   8  -1.746  -0.187   6.091
   73    H    ARG   9           H        ARG   9   2.334  -3.651   1.600
   74    HA   ARG   9           HA       ARG   9   4.131  -5.994   2.102
   75    HB2  ARG   9           HB2      ARG   9   3.406  -4.813  -0.479
   76    HB3  ARG   9           HB3      ARG   9   5.071  -4.436  -0.133
   77    HG2  ARG   9           HG2      ARG   9   4.906  -6.449  -1.448
   78    HG3  ARG   9           HG3      ARG   9   5.607  -6.833   0.137
   79    HD2  ARG   9           HD2      ARG   9   3.595  -7.876   0.889
   80    HD3  ARG   9           HD3      ARG   9   2.634  -7.156  -0.410
   81    HE   ARG   9           HE       ARG   9   3.738  -8.604  -2.028
   82   HH11  ARG   9          HH11      ARG   9   4.104  -9.700   1.292
   83   HH12  ARG   9          HH12      ARG   9   4.371 -11.348   0.787
   84   HH21  ARG   9          HH21      ARG   9   4.096 -10.687  -2.573
   85   HH22  ARG   9          HH22      ARG   9   4.368 -11.883  -1.336
   86    H    MET  10           H        MET  10   6.432  -5.350   2.302
   87    HA   MET  10           HA       MET  10   6.965  -2.535   2.902
   88    HB2  MET  10           HB2      MET  10   5.842  -3.463   4.976
   89    HB3  MET  10           HB3      MET  10   7.211  -4.584   5.136
   90    HG2  MET  10           HG2      MET  10   8.736  -2.575   5.269
   91    HG3  MET  10           HG3      MET  10   7.301  -1.543   5.171
   92    HE1  MET  10           HE1      MET  10   9.589  -3.779   7.311
   93    HE2  MET  10           HE2      MET  10   8.641  -4.099   8.780
   94    HE3  MET  10           HE3      MET  10   8.187  -4.874   7.248
   95    H    PHE  11           H        PHE  11   9.023  -1.980   2.679
   96    HA   PHE  11           HA       PHE  11  11.044  -3.856   1.802
   97    HB2  PHE  11           HB2      PHE  11  11.043  -0.884   2.310
   98    HB3  PHE  11           HB3      PHE  11  12.503  -1.767   1.862
   99    HD1  PHE  11           HD1      PHE  11  12.558  -3.118  -0.305
  100    HD2  PHE  11           HD2      PHE  11   9.508  -0.202   0.590
  101    HE1  PHE  11           HE1      PHE  11  12.002  -2.950  -2.722
  102    HE2  PHE  11           HE2      PHE  11   8.965  -0.028  -1.825
  103    HZ   PHE  11           HZ       PHE  11  10.208  -1.404  -3.484
  104    H    ALA  12           H        ALA  12  13.206  -4.095   2.669
  105    HA   ALA  12           HA       ALA  12  13.263  -4.918   5.384
  106    HB1  ALA  12           HB1      ALA  12  15.553  -4.221   3.490
  107    HB2  ALA  12           HB2      ALA  12  15.680  -5.197   4.969
  108    HB3  ALA  12           HB3      ALA  12  14.727  -5.795   3.599
  109    H    ASN  13           H        ASN  13  13.809  -1.731   4.041
  110    HA   ASN  13           HA       ASN  13  15.077  -0.657   6.463
  111    HB2  ASN  13           HB2      ASN  13  15.158   1.435   5.245
  112    HB3  ASN  13           HB3      ASN  13  15.753   0.107   4.240
  113   HD21  ASN  13          HD21      ASN  13  15.443   1.445   2.419
  114    H    GLY  14           H        GLY  14  11.905  -1.506   5.889
  115    HA2  GLY  14           HA2      GLY  14  10.137  -1.177   7.366
  116    HA3  GLY  14           HA3      GLY  14  10.915   0.263   8.039
  117    H    THR  15           H        THR  15  10.639   0.207   4.547
  118    HA   THR  15           HA       THR  15   8.580   2.343   4.628
  119    HB   THR  15           HB       THR  15  10.319   1.250   2.383
  120    HG1  THR  15           HG1      THR  15  11.573   2.295   3.697
  121   HG21  THR  15          HG21      THR  15   8.337   2.234   1.394
  122   HG22  THR  15          HG22      THR  15   8.499   3.681   2.424
  123   HG23  THR  15          HG23      THR  15   9.717   3.314   1.175
  124    H    VAL  16           H        VAL  16   6.483   1.978   4.137
  125    HA   VAL  16           HA       VAL  16   5.635  -0.747   3.360
  126    HB   VAL  16           HB       VAL  16   4.179   1.673   4.482
  127   HG11  VAL  16          HG11      VAL  16   2.548   0.461   3.121
  128   HG12  VAL  16          HG12      VAL  16   3.027  -1.079   3.874
  129   HG13  VAL  16          HG13      VAL  16   2.232   0.188   4.831
  130   HG21  VAL  16          HG21      VAL  16   5.644   0.471   6.089
  131   HG22  VAL  16          HG22      VAL  16   3.935   0.263   6.488
  132   HG23  VAL  16          HG23      VAL  16   4.820  -1.052   5.691
  133    H    TYR  17           H        TYR  17   4.397  -1.240   1.620
  134    HA   TYR  17           HA       TYR  17   3.408   0.763  -0.281
  135    HB2  TYR  17           HB2      TYR  17   4.674  -0.003  -2.168
  136    HB3  TYR  17           HB3      TYR  17   5.809   0.482  -0.919
  137    HD1  TYR  17           HD1      TYR  17   7.070  -1.291   0.390
  138    HD2  TYR  17           HD2      TYR  17   4.697  -2.199  -3.100
  139    HE1  TYR  17           HE1      TYR  17   8.351  -3.401   0.057
  140    HE2  TYR  17           HE2      TYR  17   5.950  -4.330  -3.401
  141    HH   TYR  17           HH       TYR  17   8.664  -5.235  -1.254
  142    H    TYR  18           H        TYR  18   2.680  -0.778  -2.339
  143    HA   TYR  18           HA       TYR  18   1.005  -2.951  -1.175
  144    HB2  TYR  18           HB2      TYR  18   0.243  -0.788  -3.155
  145    HB3  TYR  18           HB3      TYR  18  -0.760  -2.177  -2.723
  146    HD1  TYR  18           HD1      TYR  18   0.664   1.009  -1.507
  147    HD2  TYR  18           HD2      TYR  18  -1.855  -2.365  -0.566
  148    HE1  TYR  18           HE1      TYR  18  -0.237   2.239   0.458
  149    HE2  TYR  18           HE2      TYR  18  -2.777  -1.135   1.374
  150    HH   TYR  18           HH       TYR  18  -2.771   0.821   2.562
  151    H    PHE  19           H        PHE  19   0.487  -4.716  -2.344
  152    HA   PHE  19           HA       PHE  19   1.734  -5.090  -5.002
  153    HB2  PHE  19           HB2      PHE  19   3.393  -5.898  -3.589
  154    HB3  PHE  19           HB3      PHE  19   2.208  -6.669  -2.526
  155    HD1  PHE  19           HD1      PHE  19   4.023  -6.989  -5.724
  156    HD2  PHE  19           HD2      PHE  19   1.287  -8.889  -2.975
  157    HE1  PHE  19           HE1      PHE  19   4.406  -9.168  -6.842
  158    HE2  PHE  19           HE2      PHE  19   1.721 -11.070  -4.061
  159    HZ   PHE  19           HZ       PHE  19   3.264 -11.218  -6.007
  160    H    ASN  20           H        ASN  20   0.693  -6.254  -6.494
  161    HA   ASN  20           HA       ASN  20  -2.016  -7.255  -5.762
  162    HB2  ASN  20           HB2      ASN  20  -1.748  -5.556  -7.566
  163    HB3  ASN  20           HB3      ASN  20  -0.801  -6.733  -8.499
  164   HD21  ASN  20          HD21      ASN  20  -4.635  -6.794  -9.142
  165   HD22  ASN  20          HD22      ASN  20  -3.636  -5.398  -8.731
  166    H    HIS  21           H        HIS  21  -2.036  -9.366  -5.177
  167    HA   HIS  21           HA       HIS  21   0.169 -11.121  -5.960
  168    HB2  HIS  21           HB2      HIS  21  -0.366 -12.383  -4.208
  169    HB3  HIS  21           HB3      HIS  21  -1.225 -10.941  -3.678
  170    HD2  HIS  21           HD2      HIS  21  -4.002 -10.986  -4.252
  171    HE1  HIS  21           HE1      HIS  21  -4.258 -15.241  -4.241
  172    HE2  HIS  21           HE2      HIS  21  -5.600 -13.081  -4.122
  173    H    ILE  22           H        ILE  22  -2.804 -10.401  -7.463
  174    HA   ILE  22           HA       ILE  22  -3.147 -12.976  -8.807
  175    HB   ILE  22           HB       ILE  22  -4.307 -10.257  -9.525
  176   HG12  ILE  22          HG12      ILE  22  -4.920 -10.682  -7.207
  177   HG13  ILE  22          HG13      ILE  22  -6.315 -10.776  -8.284
  178   HG21  ILE  22          HG21      ILE  22  -4.550 -11.813 -11.323
  179   HG22  ILE  22          HG22      ILE  22  -5.159 -13.077 -10.234
  180   HG23  ILE  22          HG23      ILE  22  -6.125 -11.615 -10.548
  181   HD11  ILE  22          HD11      ILE  22  -6.376 -12.505  -6.538
  182   HD12  ILE  22          HD12      ILE  22  -6.290 -13.240  -8.148
  183   HD13  ILE  22          HD13      ILE  22  -4.839 -13.179  -7.119
  184    H    THR  23           H        THR  23  -1.791  -9.768  -9.517
  185    HA   THR  23           HA       THR  23  -0.910 -10.639 -12.214
  186    HB   THR  23           HB       THR  23  -1.116  -8.440 -12.967
  187    HG1  THR  23           HG1      THR  23  -1.843  -6.871 -11.284
  188   HG21  THR  23          HG21      THR  23  -3.445  -8.666 -11.020
  189   HG22  THR  23          HG22      THR  23  -3.389  -7.809 -12.571
  190   HG23  THR  23          HG23      THR  23  -3.337  -9.580 -12.543
  191    H    ASN  24           H        ASN  24   0.508  -9.980  -9.259
  192    HA   ASN  24           HA       ASN  24   2.521  -9.600  -8.466
  193    HB2  ASN  24           HB2      ASN  24   3.625 -10.322 -11.199
  194    HB3  ASN  24           HB3      ASN  24   4.551 -10.198  -9.697
  195   HD21  ASN  24          HD21      ASN  24   3.145 -12.430 -11.693
  196   HD22  ASN  24          HD22      ASN  24   2.905 -13.703 -10.492
  197    H    ALA  25           H        ALA  25   1.010  -7.384 -10.084
  198    HA   ALA  25           HA       ALA  25   3.052  -5.375 -10.552
  199    HB1  ALA  25           HB1      ALA  25   0.072  -5.074  -9.979
  200    HB2  ALA  25           HB2      ALA  25   1.145  -3.838 -10.663
  201    HB3  ALA  25           HB3      ALA  25   0.799  -5.312 -11.587
  202    H    SER  26           H        SER  26   3.291  -3.371  -9.260
  203    HA   SER  26           HA       SER  26   2.444  -3.401  -6.467
  204    HB2  SER  26           HB2      SER  26   4.733  -3.133  -5.540
  205    HB3  SER  26           HB3      SER  26   4.428  -4.734  -6.214
  206    HG   SER  26           HG       SER  26   5.831  -2.613  -7.506
  207    H    GLN  27           H        GLN  27   2.642  -1.435  -5.361
  208    HA   GLN  27           HA       GLN  27   3.698   0.942  -6.710
  209    HB2  GLN  27           HB2      GLN  27   1.580   2.108  -6.903
  210    HB3  GLN  27           HB3      GLN  27   1.543   0.609  -7.844
  211    HG2  GLN  27           HG2      GLN  27   0.201  -0.483  -6.086
  212    HG3  GLN  27           HG3      GLN  27   0.223   0.998  -5.139
  213   HE21  GLN  27          HE21      GLN  27  -1.407   2.480  -5.543
  214   HE22  GLN  27          HE22      GLN  27  -2.452   2.440  -6.976
  215    H    PHE  28           H        PHE  28   3.904   2.757  -5.347
  216    HA   PHE  28           HA       PHE  28   3.776   2.164  -2.478
  217    HB2  PHE  28           HB2      PHE  28   5.814   3.021  -3.020
  218    HB3  PHE  28           HB3      PHE  28   5.144   4.253  -4.095
  219    HD1  PHE  28           HD1      PHE  28   4.243   6.366  -3.261
  220    HD2  PHE  28           HD2      PHE  28   5.874   3.413  -0.570
  221    HE1  PHE  28           HE1      PHE  28   4.292   8.052  -1.443
  222    HE2  PHE  28           HE2      PHE  28   5.940   5.107   1.245
  223    HZ   PHE  28           HZ       PHE  28   5.148   7.430   0.814
  224    H    GLU  29           H        GLU  29   2.178   4.568  -4.524
  225    HA   GLU  29           HA       GLU  29   0.561   5.634  -2.352
  226    HB2  GLU  29           HB2      GLU  29   0.935   7.028  -4.254
  227    HB3  GLU  29           HB3      GLU  29   0.472   5.752  -5.374
  228    HG2  GLU  29           HG2      GLU  29  -1.207   7.444  -5.348
  229    HG3  GLU  29           HG3      GLU  29  -1.872   5.939  -4.741
  230    H    ARG  30           H        ARG  30  -1.483   4.945  -1.655
  231    HA   ARG  30           HA       ARG  30  -1.824   2.156  -1.950
  232    HB2  ARG  30           HB2      ARG  30  -3.549   2.242  -0.367
  233    HB3  ARG  30           HB3      ARG  30  -2.365   3.431   0.100
  234    HG2  ARG  30           HG2      ARG  30  -3.782   5.128  -0.023
  235    HG3  ARG  30           HG3      ARG  30  -4.523   4.621  -1.555
  236    HD2  ARG  30           HD2      ARG  30  -5.122   3.429   1.177
  237    HD3  ARG  30           HD3      ARG  30  -6.130   4.609   0.327
  238    HE   ARG  30           HE       ARG  30  -5.850   2.399  -1.452
  239   HH11  ARG  30          HH11      ARG  30  -8.671   0.727  -0.415
  240   HH12  ARG  30          HH12      ARG  30  -7.605   1.148  -1.765
  241   HH21  ARG  30          HH21      ARG  30  -7.205   2.864   1.783
  242   HH22  ARG  30          HH22      ARG  30  -8.485   1.712   1.466
  243    HA   PRO  31           HA       PRO  31  -4.328   1.508  -5.409
  244    HB2  PRO  31           HB2      PRO  31  -5.478  -0.912  -4.915
  245    HB3  PRO  31           HB3      PRO  31  -3.713  -0.642  -5.065
  246    HG2  PRO  31           HG2      PRO  31  -5.256  -0.764  -2.465
  247    HG3  PRO  31           HG3      PRO  31  -3.843  -1.760  -2.963
  248    HD2  PRO  31           HD2      PRO  31  -3.515   0.480  -1.538
  249    HD3  PRO  31           HD3      PRO  31  -2.403   0.110  -2.894
  250    H    SER  32           H        SER  32  -6.432   1.379  -6.331
  251    HA   SER  32           HA       SER  32  -8.823   1.462  -4.611
  252    HB2  SER  32           HB2      SER  32  -7.950   3.825  -6.290
  253    HB3  SER  32           HB3      SER  32  -9.639   3.580  -5.805
  254    HG   SER  32           HG       SER  32  -7.634   3.379  -3.861
  255    H    GLY  33           H        GLY  33  -7.561  -0.157  -6.948
  256    HA2  GLY  33           HA2      GLY  33  -9.817  -1.361  -7.972
  257    HA3  GLY  33           HA3      GLY  33  -9.479  -0.070  -9.128
  258    H1B  XYP 101           H1       XYP  34  12.655   2.256   1.764
  259    H2B  XYP 101           H2       XYP  34  15.320   2.971   0.425
  260    H3B  XYP 101           H3       XYP  34  12.506   4.034  -0.144
  261    H4B  XYP 101           H4       XYP  34  14.245   2.208  -1.879
  262   H5B1  XYP 101          H5E       XYP  34  12.593   0.440  -1.419
  263   H5B2  XYP 101          H5A       XYP  34  11.661   1.534  -0.378
  264   HO2B  XYP 101          H2O       XYP  34  14.769   3.970   2.504
  265   HO3B  XYP 101          H3O       XYP  34  14.348   5.456  -0.533
  266   HO4B  XYP 101          H4O       XYP  34  12.760   3.766  -2.859
  Start of MODEL   18
    1    H1   LYS   1           H1       LYS   1 -12.421  -2.684   4.132
    2    H2   LYS   1           H2       LYS   1 -11.811  -3.617   2.933
    3    H3   LYS   1           H3       LYS   1 -12.511  -2.176   2.582
    4    HA   LYS   1           HA       LYS   1 -10.819  -0.962   3.738
    5    HB2  LYS   1           HB2      LYS   1 -10.263  -2.589   5.450
    6    HB3  LYS   1           HB3      LYS   1  -9.612  -3.702   4.247
    7    HG2  LYS   1           HG2      LYS   1  -7.841  -1.964   3.688
    8    HG3  LYS   1           HG3      LYS   1  -8.467  -0.975   5.015
    9    HD2  LYS   1           HD2      LYS   1  -7.879  -2.711   6.628
   10    HD3  LYS   1           HD3      LYS   1  -7.463  -3.845   5.322
   11    HE2  LYS   1           HE2      LYS   1  -5.650  -2.335   4.560
   12    HE3  LYS   1           HE3      LYS   1  -6.053  -1.195   5.855
   13    HZ1  LYS   1           HZ1      LYS   1  -5.520  -2.944   7.473
   14    HZ2  LYS   1           HZ2      LYS   1  -5.124  -3.987   6.280
   15    HZ3  LYS   1           HZ3      LYS   1  -4.227  -2.642   6.528
   16    H    LEU   2           H        LEU   2  -9.303  -3.769   2.082
   17    HA   LEU   2           HA       LEU   2  -8.095  -1.876   0.181
   18    HB2  LEU   2           HB2      LEU   2  -6.814  -3.280   1.851
   19    HB3  LEU   2           HB3      LEU   2  -7.318  -4.707   0.933
   20    HG   LEU   2           HG       LEU   2  -6.061  -3.757  -1.044
   21   HD11  LEU   2          HD11      LEU   2  -6.001  -1.356  -0.387
   22   HD12  LEU   2          HD12      LEU   2  -5.069  -1.776   1.074
   23   HD13  LEU   2          HD13      LEU   2  -4.370  -1.994  -0.554
   24   HD21  LEU   2          HD21      LEU   2  -3.853  -4.320  -0.123
   25   HD22  LEU   2          HD22      LEU   2  -4.472  -4.104   1.536
   26   HD23  LEU   2          HD23      LEU   2  -5.092  -5.418   0.524
   27    HA   PRO   3           HA       PRO   3 -10.523  -3.574  -3.098
   28    HB2  PRO   3           HB2      PRO   3  -8.311  -3.143  -5.048
   29    HB3  PRO   3           HB3      PRO   3  -9.964  -2.464  -5.035
   30    HG2  PRO   3           HG2      PRO   3  -7.770  -0.968  -4.381
   31    HG3  PRO   3           HG3      PRO   3  -9.344  -0.748  -3.547
   32    HD2  PRO   3           HD2      PRO   3  -6.925  -2.309  -2.590
   33    HD3  PRO   3           HD3      PRO   3  -7.979  -1.160  -1.716
   34    HA   PRO   4           HA       PRO   4  -9.603  -7.815  -3.969
   35    HB2  PRO   4           HB2      PRO   4 -10.315  -7.300  -6.860
   36    HB3  PRO   4           HB3      PRO   4 -10.858  -8.626  -5.782
   37    HG2  PRO   4           HG2      PRO   4 -12.489  -6.520  -6.251
   38    HG3  PRO   4           HG3      PRO   4 -12.304  -7.141  -4.574
   39    HD2  PRO   4           HD2      PRO   4 -10.944  -4.753  -5.854
   40    HD3  PRO   4           HD3      PRO   4 -11.733  -4.888  -4.251
   41    H    GLY   5           H        GLY   5  -7.889  -9.070  -4.467
   42    HA2  GLY   5           HA2      GLY   5  -5.939  -9.849  -5.393
   43    HA3  GLY   5           HA3      GLY   5  -6.029  -8.597  -6.648
   44    H    TRP   6           H        TRP   6  -6.085  -6.453  -4.389
   45    HA   TRP   6           HA       TRP   6  -3.191  -6.197  -4.131
   46    HB2  TRP   6           HB2      TRP   6  -5.457  -4.464  -3.155
   47    HB3  TRP   6           HB3      TRP   6  -3.760  -4.121  -2.849
   48    HD1  TRP   6           HD1      TRP   6  -6.377  -3.982  -5.534
   49    HE1  TRP   6           HE1      TRP   6  -5.475  -2.870  -7.667
   50    HE3  TRP   6           HE3      TRP   6  -1.432  -3.816  -4.290
   51    HZ2  TRP   6           HZ2      TRP   6  -2.894  -2.150  -8.754
   52    HZ3  TRP   6           HZ3      TRP   6   0.250  -2.933  -5.921
   53    HH2  TRP   6           HH2      TRP   6  -0.471  -2.129  -8.147
   54    H    GLU   7           H        GLU   7  -1.908  -6.305  -2.414
   55    HA   GLU   7           HA       GLU   7  -2.938  -6.779   0.312
   56    HB2  GLU   7           HB2      GLU   7  -1.118  -8.601  -1.295
   57    HB3  GLU   7           HB3      GLU   7  -0.930  -8.485   0.454
   58    HG2  GLU   7           HG2      GLU   7  -3.455  -9.345  -1.008
   59    HG3  GLU   7           HG3      GLU   7  -2.286 -10.404  -0.240
   60    H    LYS   8           H        LYS   8  -1.533  -6.107   1.963
   61    HA   LYS   8           HA       LYS   8   0.276  -3.936   1.202
   62    HB2  LYS   8           HB2      LYS   8  -0.783  -4.935   3.845
   63    HB3  LYS   8           HB3      LYS   8   0.617  -3.850   3.781
   64    HG2  LYS   8           HG2      LYS   8  -0.640  -2.256   2.379
   65    HG3  LYS   8           HG3      LYS   8  -2.067  -3.308   2.460
   66    HD2  LYS   8           HD2      LYS   8  -2.434  -1.577   4.036
   67    HD3  LYS   8           HD3      LYS   8  -1.975  -2.991   5.009
   68    HE2  LYS   8           HE2      LYS   8   0.380  -2.133   5.092
   69    HE3  LYS   8           HE3      LYS   8  -0.105  -0.734   4.127
   70    HZ1  LYS   8           HZ1      LYS   8  -0.062  -0.203   6.488
   71    HZ2  LYS   8           HZ2      LYS   8  -1.596  -0.088   5.951
   72    HZ3  LYS   8           HZ3      LYS   8  -1.129  -1.382   6.842
   73    H    ARG   9           H        ARG   9   2.372  -3.677   1.555
   74    HA   ARG   9           HA       ARG   9   4.100  -5.936   2.461
   75    HB2  ARG   9           HB2      ARG   9   4.462  -4.352  -0.114
   76    HB3  ARG   9           HB3      ARG   9   5.671  -5.453   0.550
   77    HG2  ARG   9           HG2      ARG   9   2.933  -6.227  -0.399
   78    HG3  ARG   9           HG3      ARG   9   4.440  -6.443  -1.310
   79    HD2  ARG   9           HD2      ARG   9   5.310  -7.962   0.397
   80    HD3  ARG   9           HD3      ARG   9   3.849  -7.770   1.377
   81    HE   ARG   9           HE       ARG   9   4.126  -9.250  -1.184
   82   HH11  ARG   9          HH11      ARG   9   2.781 -10.964  -1.476
   83   HH12  ARG   9          HH12      ARG   9   1.381 -11.167  -0.461
   84   HH21  ARG   9          HH21      ARG   9   1.906  -8.335   1.401
   85   HH22  ARG   9          HH22      ARG   9   0.941  -9.769   1.158
   86    H    MET  10           H        MET  10   6.350  -5.275   2.570
   87    HA   MET  10           HA       MET  10   6.947  -2.484   3.144
   88    HB2  MET  10           HB2      MET  10   5.807  -3.243   5.251
   89    HB3  MET  10           HB3      MET  10   7.089  -4.455   5.456
   90    HG2  MET  10           HG2      MET  10   8.747  -2.521   5.443
   91    HG3  MET  10           HG3      MET  10   7.359  -1.424   5.506
   92    HE1  MET  10           HE1      MET  10   5.878  -1.032   7.691
   93    HE2  MET  10           HE2      MET  10   5.321  -2.712   7.501
   94    HE3  MET  10           HE3      MET  10   5.892  -2.135   9.079
   95    H    PHE  11           H        PHE  11   9.019  -2.023   2.820
   96    HA   PHE  11           HA       PHE  11  10.987  -4.006   2.065
   97    HB2  PHE  11           HB2      PHE  11  11.036  -1.011   2.374
   98    HB3  PHE  11           HB3      PHE  11  12.498  -1.934   2.025
   99    HD1  PHE  11           HD1      PHE  11  12.563  -3.446  -0.048
  100    HD2  PHE  11           HD2      PHE  11   9.597  -0.377   0.577
  101    HE1  PHE  11           HE1      PHE  11  12.091  -3.400  -2.488
  102    HE2  PHE  11           HE2      PHE  11   9.138  -0.325  -1.863
  103    HZ   PHE  11           HZ       PHE  11  10.381  -1.837  -3.397
  104    H    ALA  12           H        ALA  12  13.137  -4.266   2.947
  105    HA   ALA  12           HA       ALA  12  13.202  -4.844   5.729
  106    HB1  ALA  12           HB1      ALA  12  15.485  -4.406   3.751
  107    HB2  ALA  12           HB2      ALA  12  15.602  -5.241   5.315
  108    HB3  ALA  12           HB3      ALA  12  14.609  -5.933   4.019
  109    H    ASN  13           H        ASN  13  13.784  -1.814   4.101
  110    HA   ASN  13           HA       ASN  13  15.167  -0.542   6.354
  111    HB2  ASN  13           HB2      ASN  13  15.204   1.424   4.942
  112    HB3  ASN  13           HB3      ASN  13  15.710   0.005   4.012
  113   HD21  ASN  13          HD21      ASN  13  15.263   1.510   2.213
  114    H    GLY  14           H        GLY  14  11.939  -1.374   5.955
  115    HA2  GLY  14           HA2      GLY  14  10.219  -0.886   7.452
  116    HA3  GLY  14           HA3      GLY  14  11.044   0.589   7.981
  117    H    THR  15           H        THR  15  10.705   0.278   4.518
  118    HA   THR  15           HA       THR  15   8.676   2.449   4.457
  119    HB   THR  15           HB       THR  15  10.367   1.145   2.296
  120    HG1  THR  15           HG1      THR  15  11.584   2.259   3.662
  121   HG21  THR  15          HG21      THR  15   9.832   3.068   0.897
  122   HG22  THR  15          HG22      THR  15   8.397   2.113   1.253
  123   HG23  THR  15          HG23      THR  15   8.667   3.650   2.120
  124    H    VAL  16           H        VAL  16   6.577   2.132   3.852
  125    HA   VAL  16           HA       VAL  16   5.652  -0.639   3.354
  126    HB   VAL  16           HB       VAL  16   4.260   1.954   4.117
  127   HG11  VAL  16          HG11      VAL  16   2.991  -0.790   3.748
  128   HG12  VAL  16          HG12      VAL  16   2.222   0.614   4.520
  129   HG13  VAL  16          HG13      VAL  16   2.632   0.680   2.809
  130   HG21  VAL  16          HG21      VAL  16   3.856   0.779   6.249
  131   HG22  VAL  16          HG22      VAL  16   4.706  -0.654   5.631
  132   HG23  VAL  16          HG23      VAL  16   5.587   0.865   5.913
  133    H    TYR  17           H        TYR  17   4.444  -1.275   1.608
  134    HA   TYR  17           HA       TYR  17   3.629   0.594  -0.492
  135    HB2  TYR  17           HB2      TYR  17   4.826  -0.448  -2.302
  136    HB3  TYR  17           HB3      TYR  17   5.972   0.142  -1.110
  137    HD1  TYR  17           HD1      TYR  17   7.219  -1.475   0.361
  138    HD2  TYR  17           HD2      TYR  17   4.714  -2.805  -2.901
  139    HE1  TYR  17           HE1      TYR  17   8.484  -3.615   0.246
  140    HE2  TYR  17           HE2      TYR  17   5.992  -4.928  -3.018
  141    HH   TYR  17           HH       TYR  17   8.773  -5.582  -0.865
  142    H    TYR  18           H        TYR  18   2.768  -0.899  -2.414
  143    HA   TYR  18           HA       TYR  18   1.021  -3.004  -1.243
  144    HB2  TYR  18           HB2      TYR  18   0.320  -0.799  -3.202
  145    HB3  TYR  18           HB3      TYR  18  -0.722  -2.168  -2.795
  146    HD1  TYR  18           HD1      TYR  18   0.788   0.959  -1.504
  147    HD2  TYR  18           HD2      TYR  18  -1.859  -2.344  -0.669
  148    HE1  TYR  18           HE1      TYR  18  -0.041   2.141   0.521
  149    HE2  TYR  18           HE2      TYR  18  -2.735  -1.137   1.303
  150    HH   TYR  18           HH       TYR  18  -2.514   0.693   2.668
  151    H    PHE  19           H        PHE  19   0.539  -4.788  -2.384
  152    HA   PHE  19           HA       PHE  19   1.784  -5.178  -5.048
  153    HB2  PHE  19           HB2      PHE  19   3.422  -5.991  -3.574
  154    HB3  PHE  19           HB3      PHE  19   2.205  -6.806  -2.575
  155    HD1  PHE  19           HD1      PHE  19   3.932  -6.930  -5.864
  156    HD2  PHE  19           HD2      PHE  19   1.494  -9.058  -3.011
  157    HE1  PHE  19           HE1      PHE  19   4.345  -9.043  -7.089
  158    HE2  PHE  19           HE2      PHE  19   1.983 -11.184  -4.190
  159    HZ   PHE  19           HZ       PHE  19   3.386 -11.183  -6.245
  160    H    ASN  20           H        ASN  20   0.643  -6.224  -6.537
  161    HA   ASN  20           HA       ASN  20  -2.010  -7.297  -5.743
  162    HB2  ASN  20           HB2      ASN  20  -1.826  -5.599  -7.550
  163    HB3  ASN  20           HB3      ASN  20  -0.873  -6.751  -8.505
  164   HD21  ASN  20          HD21      ASN  20  -4.667  -6.891  -9.177
  165   HD22  ASN  20          HD22      ASN  20  -3.643  -5.486  -8.867
  166    H    HIS  21           H        HIS  21  -1.877  -9.394  -5.072
  167    HA   HIS  21           HA       HIS  21   0.333 -11.089  -5.892
  168    HB2  HIS  21           HB2      HIS  21  -0.289 -12.494  -4.234
  169    HB3  HIS  21           HB3      HIS  21  -1.066 -11.027  -3.641
  170    HD2  HIS  21           HD2      HIS  21  -3.820 -10.867  -4.170
  171    HE1  HIS  21           HE1      HIS  21  -4.397 -15.050  -4.690
  172    HE2  HIS  21           HE2      HIS  21  -5.571 -12.832  -4.296
  173    H    ILE  22           H        ILE  22  -2.751 -10.532  -7.306
  174    HA   ILE  22           HA       ILE  22  -2.963 -13.107  -8.637
  175    HB   ILE  22           HB       ILE  22  -4.500 -10.507  -9.051
  176   HG12  ILE  22          HG12      ILE  22  -5.012 -12.987  -7.334
  177   HG13  ILE  22          HG13      ILE  22  -4.738 -11.327  -6.771
  178   HG21  ILE  22          HG21      ILE  22  -5.139 -13.343  -9.968
  179   HG22  ILE  22          HG22      ILE  22  -6.186 -11.917 -10.166
  180   HG23  ILE  22          HG23      ILE  22  -4.656 -11.990 -11.018
  181   HD11  ILE  22          HD11      ILE  22  -6.900 -10.651  -7.827
  182   HD12  ILE  22          HD12      ILE  22  -7.218 -12.379  -8.147
  183   HD13  ILE  22          HD13      ILE  22  -7.022 -11.806  -6.482
  184    H    THR  23           H        THR  23  -1.954  -9.817  -9.479
  185    HA   THR  23           HA       THR  23  -1.196 -10.635 -12.233
  186    HB   THR  23           HB       THR  23  -1.488  -8.420 -12.928
  187    HG1  THR  23           HG1      THR  23  -2.256  -7.042 -10.960
  188   HG21  THR  23          HG21      THR  23  -3.654  -9.597 -12.448
  189   HG22  THR  23          HG22      THR  23  -3.696  -8.803 -10.859
  190   HG23  THR  23          HG23      THR  23  -3.749  -7.829 -12.344
  191    H    ASN  24           H        ASN  24   0.374 -10.012  -9.352
  192    HA   ASN  24           HA       ASN  24   2.425  -9.616  -8.666
  193    HB2  ASN  24           HB2      ASN  24   3.364 -10.297 -11.470
  194    HB3  ASN  24           HB3      ASN  24   4.389 -10.157 -10.037
  195   HD21  ASN  24          HD21      ASN  24   2.835 -12.404 -11.928
  196   HD22  ASN  24          HD22      ASN  24   2.724 -13.685 -10.717
  197    H    ALA  25           H        ALA  25   0.805  -7.385 -10.192
  198    HA   ALA  25           HA       ALA  25   2.814  -5.360 -10.714
  199    HB1  ALA  25           HB1      ALA  25   0.512  -5.279 -11.627
  200    HB2  ALA  25           HB2      ALA  25  -0.131  -5.071  -9.982
  201    HB3  ALA  25           HB3      ALA  25   0.907  -3.822 -10.696
  202    H    SER  26           H        SER  26   3.172  -3.405  -9.397
  203    HA   SER  26           HA       SER  26   2.431  -3.453  -6.582
  204    HB2  SER  26           HB2      SER  26   4.722  -3.225  -5.698
  205    HB3  SER  26           HB3      SER  26   4.403  -4.819  -6.378
  206    HG   SER  26           HG       SER  26   5.545  -4.237  -8.223
  207    H    GLN  27           H        GLN  27   2.708  -1.509  -5.467
  208    HA   GLN  27           HA       GLN  27   3.771   0.859  -6.812
  209    HB2  GLN  27           HB2      GLN  27   1.712   2.068  -7.024
  210    HB3  GLN  27           HB3      GLN  27   1.541   0.538  -7.885
  211    HG2  GLN  27           HG2      GLN  27   0.251  -0.378  -5.934
  212    HG3  GLN  27           HG3      GLN  27   0.385   1.189  -5.148
  213   HE21  GLN  27          HE21      GLN  27  -1.629   2.118  -5.243
  214   HE22  GLN  27          HE22      GLN  27  -2.626   2.181  -6.711
  215    H    PHE  28           H        PHE  28   3.908   2.708  -5.424
  216    HA   PHE  28           HA       PHE  28   3.862   2.097  -2.560
  217    HB2  PHE  28           HB2      PHE  28   5.781   3.190  -3.125
  218    HB3  PHE  28           HB3      PHE  28   4.961   4.322  -4.207
  219    HD1  PHE  28           HD1      PHE  28   3.836   6.328  -3.395
  220    HD2  PHE  28           HD2      PHE  28   5.828   3.630  -0.680
  221    HE1  PHE  28           HE1      PHE  28   3.726   8.046  -1.609
  222    HE2  PHE  28           HE2      PHE  28   5.730   5.357   1.102
  223    HZ   PHE  28           HZ       PHE  28   4.677   7.566   0.644
  224    H    GLU  29           H        GLU  29   1.890   4.152  -4.625
  225    HA   GLU  29           HA       GLU  29   0.504   5.420  -2.435
  226    HB2  GLU  29           HB2      GLU  29   0.754   6.472  -4.592
  227    HB3  GLU  29           HB3      GLU  29  -0.165   5.178  -5.388
  228    HG2  GLU  29           HG2      GLU  29  -2.193   5.813  -4.168
  229    HG3  GLU  29           HG3      GLU  29  -1.291   7.013  -3.233
  230    H    ARG  30           H        ARG  30  -1.355   4.938  -1.406
  231    HA   ARG  30           HA       ARG  30  -2.227   2.282  -1.149
  232    HB2  ARG  30           HB2      ARG  30  -2.383   3.668   0.672
  233    HB3  ARG  30           HB3      ARG  30  -3.212   4.943  -0.207
  234    HG2  ARG  30           HG2      ARG  30  -4.576   3.803   1.487
  235    HG3  ARG  30           HG3      ARG  30  -5.289   3.855  -0.135
  236    HD2  ARG  30           HD2      ARG  30  -3.941   1.360   0.051
  237    HD3  ARG  30           HD3      ARG  30  -4.678   1.588   1.621
  238    HE   ARG  30           HE       ARG  30  -6.103   1.555  -1.027
  239   HH11  ARG  30          HH11      ARG  30  -6.455   1.187   2.466
  240   HH12  ARG  30          HH12      ARG  30  -8.127   0.710   2.268
  241   HH21  ARG  30          HH21      ARG  30  -8.148   1.062  -1.128
  242   HH22  ARG  30          HH22      ARG  30  -9.028   0.534   0.312
  243    HA   PRO  31           HA       PRO  31  -4.592   1.873  -4.902
  244    HB2  PRO  31           HB2      PRO  31  -5.600  -0.594  -3.473
  245    HB3  PRO  31           HB3      PRO  31  -5.055  -0.422  -5.173
  246    HG2  PRO  31           HG2      PRO  31  -3.425  -1.475  -3.253
  247    HG3  PRO  31           HG3      PRO  31  -2.766  -0.333  -4.481
  248    HD2  PRO  31           HD2      PRO  31  -3.566   0.152  -1.623
  249    HD3  PRO  31           HD3      PRO  31  -2.166   0.778  -2.550
  250    H    SER  32           H        SER  32  -6.399   2.961  -5.427
  251    HA   SER  32           HA       SER  32  -8.569   3.401  -3.507
  252    HB2  SER  32           HB2      SER  32  -8.141   4.363  -6.360
  253    HB3  SER  32           HB3      SER  32  -9.475   4.866  -5.305
  254    HG   SER  32           HG       SER  32  -7.713   6.326  -5.236
  255    H    GLY  33           H        GLY  33  -8.082   1.204  -6.164
  256    HA2  GLY  33           HA2      GLY  33 -10.500  -0.267  -5.832
  257    HA3  GLY  33           HA3      GLY  33 -10.711   0.868  -7.165
  258    H1B  XYP 101           H1       XYP  34  12.354   1.716   1.558
  259    H2B  XYP 101           H2       XYP  34  14.692   3.472   0.649
  260    H3B  XYP 101           H3       XYP  34  11.736   3.750  -0.061
  261    H4B  XYP 101           H4       XYP  34  14.000   2.782  -1.873
  262   H5B1  XYP 101          H5E       XYP  34  12.853   0.575  -1.823
  263   H5B2  XYP 101          H5A       XYP  34  11.668   1.205  -0.666
  264   HO2B  XYP 101          H2O       XYP  34  12.424   3.862   2.359
  265   HO3B  XYP 101          H3O       XYP  34  13.114   5.666  -0.061
  266   HO4B  XYP 101          H4O       XYP  34  12.179   4.006  -2.749
  Start of MODEL   19
    1    H1   LYS   1           H1       LYS   1 -11.565  -3.643   3.109
    2    H2   LYS   1           H2       LYS   1 -12.454  -2.376   2.567
    3    H3   LYS   1           H3       LYS   1 -12.296  -2.638   4.171
    4    HA   LYS   1           HA       LYS   1 -10.944  -0.789   3.507
    5    HB2  LYS   1           HB2      LYS   1 -10.173  -2.105   5.419
    6    HB3  LYS   1           HB3      LYS   1  -9.340  -3.233   4.349
    7    HG2  LYS   1           HG2      LYS   1  -7.900  -1.269   3.549
    8    HG3  LYS   1           HG3      LYS   1  -8.674  -0.292   4.809
    9    HD2  LYS   1           HD2      LYS   1  -7.765  -1.832   6.537
   10    HD3  LYS   1           HD3      LYS   1  -7.127  -2.889   5.269
   11    HE2  LYS   1           HE2      LYS   1  -5.286  -1.604   6.054
   12    HE3  LYS   1           HE3      LYS   1  -5.693  -1.011   4.438
   13    HZ1  LYS   1           HZ1      LYS   1  -6.489   0.276   7.006
   14    HZ2  LYS   1           HZ2      LYS   1  -5.320   0.820   6.010
   15    HZ3  LYS   1           HZ3      LYS   1  -6.879   0.850   5.527
   16    H    LEU   2           H        LEU   2  -9.145  -3.618   2.211
   17    HA   LEU   2           HA       LEU   2  -7.998  -1.867   0.171
   18    HB2  LEU   2           HB2      LEU   2  -6.732  -3.250   1.870
   19    HB3  LEU   2           HB3      LEU   2  -7.263  -4.693   0.991
   20    HG   LEU   2           HG       LEU   2  -6.012  -3.812  -1.017
   21   HD11  LEU   2          HD11      LEU   2  -5.929  -1.398  -0.446
   22   HD12  LEU   2          HD12      LEU   2  -4.999  -1.765   1.026
   23   HD13  LEU   2          HD13      LEU   2  -4.304  -2.049  -0.593
   24   HD21  LEU   2          HD21      LEU   2  -5.020  -5.447   0.542
   25   HD22  LEU   2          HD22      LEU   2  -3.787  -4.340  -0.098
   26   HD23  LEU   2          HD23      LEU   2  -4.409  -4.124   1.556
   27    HA   PRO   3           HA       PRO   3 -10.461  -3.625  -3.049
   28    HB2  PRO   3           HB2      PRO   3  -8.265  -3.285  -5.030
   29    HB3  PRO   3           HB3      PRO   3  -9.899  -2.566  -5.011
   30    HG2  PRO   3           HG2      PRO   3  -7.654  -1.115  -4.420
   31    HG3  PRO   3           HG3      PRO   3  -9.216  -0.825  -3.584
   32    HD2  PRO   3           HD2      PRO   3  -6.833  -2.418  -2.601
   33    HD3  PRO   3           HD3      PRO   3  -7.851  -1.223  -1.752
   34    HA   PRO   4           HA       PRO   4  -9.562  -7.907  -3.827
   35    HB2  PRO   4           HB2      PRO   4 -10.343  -7.443  -6.710
   36    HB3  PRO   4           HB3      PRO   4 -10.863  -8.748  -5.592
   37    HG2  PRO   4           HG2      PRO   4 -12.502  -6.651  -6.067
   38    HG3  PRO   4           HG3      PRO   4 -12.283  -7.240  -4.385
   39    HD2  PRO   4           HD2      PRO   4 -10.947  -4.877  -5.737
   40    HD3  PRO   4           HD3      PRO   4 -11.705  -4.980  -4.116
   41    H    GLY   5           H        GLY   5  -7.861  -9.174  -4.369
   42    HA2  GLY   5           HA2      GLY   5  -5.936  -9.951  -5.365
   43    HA3  GLY   5           HA3      GLY   5  -6.043  -8.670  -6.586
   44    H    TRP   6           H        TRP   6  -6.072  -6.593  -4.250
   45    HA   TRP   6           HA       TRP   6  -3.168  -6.326  -4.078
   46    HB2  TRP   6           HB2      TRP   6  -5.414  -4.579  -3.088
   47    HB3  TRP   6           HB3      TRP   6  -3.714  -4.227  -2.820
   48    HD1  TRP   6           HD1      TRP   6  -6.366  -4.208  -5.483
   49    HE1  TRP   6           HE1      TRP   6  -5.526  -3.080  -7.631
   50    HE3  TRP   6           HE3      TRP   6  -1.417  -3.842  -4.286
   51    HZ2  TRP   6           HZ2      TRP   6  -2.988  -2.267  -8.746
   52    HZ3  TRP   6           HZ3      TRP   6   0.214  -2.919  -5.945
   53    HH2  TRP   6           HH2      TRP   6  -0.562  -2.153  -8.167
   54    H    GLU   7           H        GLU   7  -1.883  -6.195  -2.299
   55    HA   GLU   7           HA       GLU   7  -2.904  -6.853   0.408
   56    HB2  GLU   7           HB2      GLU   7  -2.091  -8.953  -0.865
   57    HB3  GLU   7           HB3      GLU   7  -0.494  -8.195  -0.869
   58    HG2  GLU   7           HG2      GLU   7  -0.737  -8.072   1.707
   59    HG3  GLU   7           HG3      GLU   7  -2.168  -9.080   1.522
   60    H    LYS   8           H        LYS   8  -1.691  -5.820   2.048
   61    HA   LYS   8           HA       LYS   8   0.224  -3.742   1.283
   62    HB2  LYS   8           HB2      LYS   8  -0.852  -4.722   3.939
   63    HB3  LYS   8           HB3      LYS   8   0.545  -3.632   3.853
   64    HG2  LYS   8           HG2      LYS   8  -0.711  -2.023   2.514
   65    HG3  LYS   8           HG3      LYS   8  -2.122  -3.099   2.507
   66    HD2  LYS   8           HD2      LYS   8  -2.582  -1.432   4.131
   67    HD3  LYS   8           HD3      LYS   8  -2.134  -2.873   5.066
   68    HE2  LYS   8           HE2      LYS   8   0.218  -1.972   5.225
   69    HE3  LYS   8           HE3      LYS   8  -0.307  -0.528   4.346
   70    HZ1  LYS   8           HZ1      LYS   8  -1.363  -1.398   6.988
   71    HZ2  LYS   8           HZ2      LYS   8  -0.305  -0.179   6.755
   72    HZ3  LYS   8           HZ3      LYS   8  -1.829  -0.047   6.188
   73    H    ARG   9           H        ARG   9   2.319  -3.617   1.623
   74    HA   ARG   9           HA       ARG   9   3.942  -5.913   2.618
   75    HB2  ARG   9           HB2      ARG   9   4.362  -4.495  -0.042
   76    HB3  ARG   9           HB3      ARG   9   5.516  -5.621   0.671
   77    HG2  ARG   9           HG2      ARG   9   2.748  -6.284  -0.273
   78    HG3  ARG   9           HG3      ARG   9   4.255  -6.651  -1.126
   79    HD2  ARG   9           HD2      ARG   9   4.977  -8.142   0.694
   80    HD3  ARG   9           HD3      ARG   9   3.507  -7.773   1.608
   81    HE   ARG   9           HE       ARG   9   2.209  -9.109   0.207
   82   HH11  ARG   9          HH11      ARG   9   5.489  -9.157  -1.075
   83   HH12  ARG   9          HH12      ARG   9   5.186 -10.658  -1.912
   84   HH21  ARG   9          HH21      ARG   9   1.925 -10.887  -0.795
   85   HH22  ARG   9          HH22      ARG   9   3.193 -11.647  -1.765
   86    H    MET  10           H        MET  10   6.258  -5.297   2.598
   87    HA   MET  10           HA       MET  10   6.886  -2.499   3.144
   88    HB2  MET  10           HB2      MET  10   5.774  -3.249   5.267
   89    HB3  MET  10           HB3      MET  10   7.057  -4.462   5.460
   90    HG2  MET  10           HG2      MET  10   8.720  -2.537   5.422
   91    HG3  MET  10           HG3      MET  10   7.339  -1.431   5.486
   92    HE1  MET  10           HE1      MET  10   5.899  -2.087   9.076
   93    HE2  MET  10           HE2      MET  10   5.885  -1.000   7.674
   94    HE3  MET  10           HE3      MET  10   5.309  -2.677   7.509
   95    H    PHE  11           H        PHE  11   8.940  -2.034   2.793
   96    HA   PHE  11           HA       PHE  11  10.911  -3.995   2.000
   97    HB2  PHE  11           HB2      PHE  11  10.941  -1.002   2.333
   98    HB3  PHE  11           HB3      PHE  11  12.403  -1.911   1.945
   99    HD1  PHE  11           HD1      PHE  11   9.422  -0.401   0.580
  100    HD2  PHE  11           HD2      PHE  11  12.481  -3.350  -0.157
  101    HE1  PHE  11           HE1      PHE  11   8.917  -0.319  -1.849
  102    HE2  PHE  11           HE2      PHE  11  11.967  -3.271  -2.586
  103    HZ   PHE  11           HZ       PHE  11  10.187  -1.753  -3.436
  104    H    ALA  12           H        ALA  12  13.076  -4.244   2.848
  105    HA   ALA  12           HA       ALA  12  13.196  -4.821   5.629
  106    HB1  ALA  12           HB1      ALA  12  14.582  -5.899   3.894
  107    HB2  ALA  12           HB2      ALA  12  15.440  -4.363   3.611
  108    HB3  ALA  12           HB3      ALA  12  15.592  -5.198   5.173
  109    H    ASN  13           H        ASN  13  13.730  -1.785   3.989
  110    HA   ASN  13           HA       ASN  13  15.142  -0.506   6.220
  111    HB2  ASN  13           HB2      ASN  13  15.149   1.459   4.803
  112    HB3  ASN  13           HB3      ASN  13  15.652   0.041   3.874
  113   HD21  ASN  13          HD21      ASN  13  15.174   1.512   2.063
  114    H    GLY  14           H        GLY  14  11.910  -1.347   5.871
  115    HA2  GLY  14           HA2      GLY  14  10.205  -0.853   7.381
  116    HA3  GLY  14           HA3      GLY  14  11.039   0.618   7.904
  117    H    THR  15           H        THR  15  10.651   0.293   4.443
  118    HA   THR  15           HA       THR  15   8.624   2.468   4.398
  119    HB   THR  15           HB       THR  15  10.282   1.139   2.225
  120    HG1  THR  15           HG1      THR  15  11.514   2.282   3.552
  121   HG21  THR  15          HG21      THR  15   8.292   2.078   1.193
  122   HG22  THR  15          HG22      THR  15   8.568   3.631   2.028
  123   HG23  THR  15          HG23      THR  15   9.718   3.032   0.800
  124    H    VAL  16           H        VAL  16   6.514   2.145   3.824
  125    HA   VAL  16           HA       VAL  16   5.586  -0.634   3.363
  126    HB   VAL  16           HB       VAL  16   4.203   1.963   4.126
  127   HG11  VAL  16          HG11      VAL  16   2.161   0.627   4.543
  128   HG12  VAL  16          HG12      VAL  16   2.561   0.696   2.829
  129   HG13  VAL  16          HG13      VAL  16   2.922  -0.776   3.763
  130   HG21  VAL  16          HG21      VAL  16   3.806   0.790   6.261
  131   HG22  VAL  16          HG22      VAL  16   4.646  -0.646   5.639
  132   HG23  VAL  16          HG23      VAL  16   5.536   0.868   5.913
  133    H    TYR  17           H        TYR  17   4.365  -1.279   1.633
  134    HA   TYR  17           HA       TYR  17   3.572   0.573  -0.499
  135    HB2  TYR  17           HB2      TYR  17   4.767  -0.527  -2.278
  136    HB3  TYR  17           HB3      TYR  17   5.915   0.061  -1.087
  137    HD1  TYR  17           HD1      TYR  17   4.575  -2.902  -2.802
  138    HD2  TYR  17           HD2      TYR  17   7.139  -1.545   0.399
  139    HE1  TYR  17           HE1      TYR  17   5.815  -5.043  -2.897
  140    HE2  TYR  17           HE2      TYR  17   8.368  -3.717   0.310
  141    HH   TYR  17           HH       TYR  17   7.592  -6.237  -2.090
  142    H    TYR  18           H        TYR  18   2.688  -0.944  -2.393
  143    HA   TYR  18           HA       TYR  18   0.930  -3.027  -1.192
  144    HB2  TYR  18           HB2      TYR  18   0.229  -0.859  -3.196
  145    HB3  TYR  18           HB3      TYR  18  -0.830  -2.188  -2.706
  146    HD1  TYR  18           HD1      TYR  18  -1.930  -2.229  -0.548
  147    HD2  TYR  18           HD2      TYR  18   0.790   0.953  -1.584
  148    HE1  TYR  18           HE1      TYR  18  -2.743  -0.897   1.384
  149    HE2  TYR  18           HE2      TYR  18   0.045   2.242   0.417
  150    HH   TYR  18           HH       TYR  18  -2.420   0.965   2.671
  151    H    PHE  19           H        PHE  19   0.529  -4.839  -2.314
  152    HA   PHE  19           HA       PHE  19   1.747  -5.191  -4.996
  153    HB2  PHE  19           HB2      PHE  19   3.394  -6.042  -3.587
  154    HB3  PHE  19           HB3      PHE  19   2.201  -6.838  -2.549
  155    HD1  PHE  19           HD1      PHE  19   3.884  -7.022  -5.850
  156    HD2  PHE  19           HD2      PHE  19   1.384  -9.071  -2.987
  157    HE1  PHE  19           HE1      PHE  19   4.243  -9.151  -7.062
  158    HE2  PHE  19           HE2      PHE  19   1.798 -11.205  -4.168
  159    HZ   PHE  19           HZ       PHE  19   3.210 -11.256  -6.218
  160    H    ASN  20           H        ASN  20   0.636  -6.212  -6.514
  161    HA   ASN  20           HA       ASN  20  -2.042  -7.280  -5.790
  162    HB2  ASN  20           HB2      ASN  20  -1.799  -5.548  -7.563
  163    HB3  ASN  20           HB3      ASN  20  -0.840  -6.693  -8.520
  164   HD21  ASN  20          HD21      ASN  20  -4.618  -6.768  -9.276
  165   HD22  ASN  20          HD22      ASN  20  -3.576  -5.387  -8.925
  166    H    HIS  21           H        HIS  21  -1.987  -9.390  -5.205
  167    HA   HIS  21           HA       HIS  21   0.222 -11.113  -5.952
  168    HB2  HIS  21           HB2      HIS  21  -0.482 -12.454  -4.298
  169    HB3  HIS  21           HB3      HIS  21  -1.395 -11.037  -3.801
  170    HD2  HIS  21           HD2      HIS  21  -4.076 -11.044  -4.330
  171    HE1  HIS  21           HE1      HIS  21  -4.437 -15.169  -5.288
  172    HE2  HIS  21           HE2      HIS  21  -5.724 -13.062  -4.707
  173    H    ILE  22           H        ILE  22  -2.824 -10.482  -7.466
  174    HA   ILE  22           HA       ILE  22  -3.006 -13.018  -8.871
  175    HB   ILE  22           HB       ILE  22  -4.510 -10.393  -9.250
  176   HG12  ILE  22          HG12      ILE  22  -5.089 -12.933  -7.650
  177   HG13  ILE  22          HG13      ILE  22  -4.837 -11.295  -7.015
  178   HG21  ILE  22          HG21      ILE  22  -5.144 -13.185 -10.299
  179   HG22  ILE  22          HG22      ILE  22  -6.170 -11.740 -10.478
  180   HG23  ILE  22          HG23      ILE  22  -4.616 -11.799 -11.281
  181   HD11  ILE  22          HD11      ILE  22  -7.262 -12.289  -8.532
  182   HD12  ILE  22          HD12      ILE  22  -7.138 -11.819  -6.833
  183   HD13  ILE  22          HD13      ILE  22  -6.967 -10.580  -8.100
  184    H    THR  23           H        THR  23  -1.956  -9.718  -9.609
  185    HA   THR  23           HA       THR  23  -1.134 -10.467 -12.363
  186    HB   THR  23           HB       THR  23  -1.396  -8.229 -12.999
  187    HG1  THR  23           HG1      THR  23  -2.190  -6.901 -11.010
  188   HG21  THR  23          HG21      THR  23  -3.659  -7.631 -12.443
  189   HG22  THR  23          HG22      THR  23  -3.583  -9.396 -12.592
  190   HG23  THR  23          HG23      THR  23  -3.645  -8.643 -10.983
  191    H    ASN  24           H        ASN  24   0.377 -10.087  -9.471
  192    HA   ASN  24           HA       ASN  24   2.321  -9.602  -8.640
  193    HB2  ASN  24           HB2      ASN  24   4.369 -10.288  -9.692
  194    HB3  ASN  24           HB3      ASN  24   3.084 -11.480  -9.893
  195   HD21  ASN  24          HD21      ASN  24   2.876 -12.327 -11.926
  196   HD22  ASN  24          HD22      ASN  24   3.538 -11.567 -13.377
  197    H    ALA  25           H        ALA  25   0.901  -7.360 -10.247
  198    HA   ALA  25           HA       ALA  25   2.971  -5.381 -10.654
  199    HB1  ALA  25           HB1      ALA  25   0.711  -5.244 -11.662
  200    HB2  ALA  25           HB2      ALA  25   0.004  -5.038 -10.042
  201    HB3  ALA  25           HB3      ALA  25   1.095  -3.803 -10.701
  202    H    SER  26           H        SER  26   3.329  -3.452  -9.315
  203    HA   SER  26           HA       SER  26   2.459  -3.487  -6.536
  204    HB2  SER  26           HB2      SER  26   4.699  -3.338  -5.542
  205    HB3  SER  26           HB3      SER  26   4.399  -4.909  -6.286
  206    HG   SER  26           HG       SER  26   5.644  -4.292  -8.046
  207    H    GLN  27           H        GLN  27   2.729  -1.547  -5.411
  208    HA   GLN  27           HA       GLN  27   3.865   0.801  -6.743
  209    HB2  GLN  27           HB2      GLN  27   1.808   2.032  -6.965
  210    HB3  GLN  27           HB3      GLN  27   1.668   0.519  -7.863
  211    HG2  GLN  27           HG2      GLN  27   0.318  -0.448  -6.002
  212    HG3  GLN  27           HG3      GLN  27   0.448   1.074  -5.132
  213   HE21  GLN  27          HE21      GLN  27  -1.459   2.181  -5.275
  214   HE22  GLN  27          HE22      GLN  27  -2.453   2.277  -6.743
  215    H    PHE  28           H        PHE  28   4.083   2.616  -5.368
  216    HA   PHE  28           HA       PHE  28   4.032   2.020  -2.517
  217    HB2  PHE  28           HB2      PHE  28   5.956   3.077  -3.135
  218    HB3  PHE  28           HB3      PHE  28   5.124   4.247  -4.165
  219    HD1  PHE  28           HD1      PHE  28   6.099   3.462  -0.691
  220    HD2  PHE  28           HD2      PHE  28   4.072   6.263  -3.273
  221    HE1  PHE  28           HE1      PHE  28   6.117   5.155   1.127
  222    HE2  PHE  28           HE2      PHE  28   4.082   7.949  -1.452
  223    HZ   PHE  28           HZ       PHE  28   5.109   7.400   0.752
  224    H    GLU  29           H        GLU  29   2.081   4.136  -4.541
  225    HA   GLU  29           HA       GLU  29   0.687   5.357  -2.311
  226    HB2  GLU  29           HB2      GLU  29   1.025   6.510  -4.410
  227    HB3  GLU  29           HB3      GLU  29   0.092   5.284  -5.290
  228    HG2  GLU  29           HG2      GLU  29  -1.949   5.916  -4.096
  229    HG3  GLU  29           HG3      GLU  29  -1.042   7.035  -3.072
  230    H    ARG  30           H        ARG  30  -1.284   4.924  -1.434
  231    HA   ARG  30           HA       ARG  30  -2.194   2.264  -1.294
  232    HB2  ARG  30           HB2      ARG  30  -2.432   3.665   0.559
  233    HB3  ARG  30           HB3      ARG  30  -3.231   4.927  -0.362
  234    HG2  ARG  30           HG2      ARG  30  -4.696   3.803   1.235
  235    HG3  ARG  30           HG3      ARG  30  -5.289   3.768  -0.435
  236    HD2  ARG  30           HD2      ARG  30  -3.924   1.332  -0.127
  237    HD3  ARG  30           HD3      ARG  30  -4.653   1.576   1.445
  238    HE   ARG  30           HE       ARG  30  -6.039   1.307  -1.191
  239   HH11  ARG  30          HH11      ARG  30  -9.043   0.571   0.157
  240   HH12  ARG  30          HH12      ARG  30  -8.101   0.885  -1.302
  241   HH21  ARG  30          HH21      ARG  30  -6.535   1.548   2.286
  242   HH22  ARG  30          HH22      ARG  30  -8.220   1.111   2.111
  243    HA   PRO  31           HA       PRO  31  -4.580   2.190  -5.117
  244    HB2  PRO  31           HB2      PRO  31  -5.488  -0.416  -5.001
  245    HB3  PRO  31           HB3      PRO  31  -3.830   0.055  -5.480
  246    HG2  PRO  31           HG2      PRO  31  -4.774  -0.822  -2.720
  247    HG3  PRO  31           HG3      PRO  31  -3.363  -1.417  -3.659
  248    HD2  PRO  31           HD2      PRO  31  -3.075   0.439  -1.769
  249    HD3  PRO  31           HD3      PRO  31  -2.176   0.598  -3.306
  250    H    SER  32           H        SER  32  -6.515   3.106  -5.380
  251    HA   SER  32           HA       SER  32  -8.551   3.051  -3.279
  252    HB2  SER  32           HB2      SER  32  -9.649   4.748  -4.689
  253    HB3  SER  32           HB3      SER  32  -7.960   5.144  -4.337
  254    HG   SER  32           HG       SER  32  -8.496   5.458  -6.547
  255    H    GLY  33           H        GLY  33  -8.056   1.253  -6.187
  256    HA2  GLY  33           HA2      GLY  33 -10.350  -0.418  -5.905
  257    HA3  GLY  33           HA3      GLY  33 -10.686   0.803  -7.130
  258    H1B  XYP 101           H1       XYP  34  12.256   1.702   1.447
  259    H2B  XYP 101           H2       XYP  34  14.577   3.444   0.470
  260    H3B  XYP 101           H3       XYP  34  11.612   3.701  -0.209
  261    H4B  XYP 101           H4       XYP  34  13.857   2.697  -2.027
  262   H5B1  XYP 101          H5E       XYP  34  12.707   0.492  -1.918
  263   H5B2  XYP 101          H5A       XYP  34  11.540   1.149  -0.757
  264   HO2B  XYP 101          H2O       XYP  34  12.329   3.862   2.201
  265   HO3B  XYP 101          H3O       XYP  34  12.986   5.619  -0.267
  266   HO4B  XYP 101          H4O       XYP  34  12.026   3.903  -2.909
  Start of MODEL   20
    1    H1   LYS   1           H1       LYS   1 -11.342  -3.660   3.286
    2    H2   LYS   1           H2       LYS   1 -12.471  -2.919   2.356
    3    H3   LYS   1           H3       LYS   1 -12.457  -2.682   3.971
    4    HA   LYS   1           HA       LYS   1 -11.623  -0.761   2.866
    5    HB2  LYS   1           HB2      LYS   1  -9.445  -0.493   3.981
    6    HB3  LYS   1           HB3      LYS   1 -10.752  -0.995   5.036
    7    HG2  LYS   1           HG2      LYS   1  -9.911  -3.250   5.204
    8    HG3  LYS   1           HG3      LYS   1  -8.683  -2.975   3.966
    9    HD2  LYS   1           HD2      LYS   1  -8.762  -1.502   6.621
   10    HD3  LYS   1           HD3      LYS   1  -7.819  -2.965   6.301
   11    HE2  LYS   1           HE2      LYS   1  -6.598  -1.789   4.465
   12    HE3  LYS   1           HE3      LYS   1  -7.506  -0.313   4.821
   13    HZ1  LYS   1           HZ1      LYS   1  -5.697  -1.688   6.730
   14    HZ2  LYS   1           HZ2      LYS   1  -5.364  -0.295   5.941
   15    HZ3  LYS   1           HZ3      LYS   1  -6.551  -0.335   7.061
   16    H    LEU   2           H        LEU   2  -9.274  -3.435   2.180
   17    HA   LEU   2           HA       LEU   2  -8.085  -1.834   0.063
   18    HB2  LEU   2           HB2      LEU   2  -6.921  -3.257   1.868
   19    HB3  LEU   2           HB3      LEU   2  -7.451  -4.668   0.940
   20    HG   LEU   2           HG       LEU   2  -6.157  -3.702  -1.039
   21   HD11  LEU   2          HD11      LEU   2  -4.381  -2.068  -0.495
   22   HD12  LEU   2          HD12      LEU   2  -5.966  -1.344  -0.256
   23   HD13  LEU   2          HD13      LEU   2  -5.038  -1.887   1.157
   24   HD21  LEU   2          HD21      LEU   2  -5.269  -5.501   0.395
   25   HD22  LEU   2          HD22      LEU   2  -3.973  -4.413  -0.146
   26   HD23  LEU   2          HD23      LEU   2  -4.607  -4.295   1.516
   27    HA   PRO   3           HA       PRO   3 -10.632  -3.653  -3.097
   28    HB2  PRO   3           HB2      PRO   3  -9.154  -3.150  -5.392
   29    HB3  PRO   3           HB3      PRO   3 -10.112  -1.928  -4.496
   30    HG2  PRO   3           HG2      PRO   3  -7.145  -2.502  -4.259
   31    HG3  PRO   3           HG3      PRO   3  -7.955  -0.923  -4.430
   32    HD2  PRO   3           HD2      PRO   3  -7.157  -1.854  -2.039
   33    HD3  PRO   3           HD3      PRO   3  -8.718  -0.990  -2.217
   34    HA   PRO   4           HA       PRO   4  -9.597  -7.815  -3.883
   35    HB2  PRO   4           HB2      PRO   4 -10.366  -7.421  -6.781
   36    HB3  PRO   4           HB3      PRO   4 -10.852  -8.728  -5.650
   37    HG2  PRO   4           HG2      PRO   4 -12.547  -6.682  -6.142
   38    HG3  PRO   4           HG3      PRO   4 -12.304  -7.242  -4.452
   39    HD2  PRO   4           HD2      PRO   4 -11.047  -4.862  -5.846
   40    HD3  PRO   4           HD3      PRO   4 -11.788  -4.969  -4.218
   41    H    GLY   5           H        GLY   5  -7.909  -9.112  -4.383
   42    HA2  GLY   5           HA2      GLY   5  -5.994  -9.929  -5.349
   43    HA3  GLY   5           HA3      GLY   5  -6.077  -8.666  -6.593
   44    H    TRP   6           H        TRP   6  -6.102  -6.611  -4.186
   45    HA   TRP   6           HA       TRP   6  -3.190  -6.346  -4.052
   46    HB2  TRP   6           HB2      TRP   6  -5.419  -4.612  -3.001
   47    HB3  TRP   6           HB3      TRP   6  -3.714  -4.265  -2.769
   48    HD1  TRP   6           HD1      TRP   6  -6.429  -4.202  -5.363
   49    HE1  TRP   6           HE1      TRP   6  -5.657  -2.948  -7.471
   50    HE3  TRP   6           HE3      TRP   6  -1.461  -3.841  -4.257
   51    HZ2  TRP   6           HZ2      TRP   6  -3.116  -2.186  -8.658
   52    HZ3  TRP   6           HZ3      TRP   6   0.141  -2.876  -5.927
   53    HH2  TRP   6           HH2      TRP   6  -0.680  -2.075  -8.120
   54    H    GLU   7           H        GLU   7  -1.912  -6.174  -2.253
   55    HA   GLU   7           HA       GLU   7  -2.920  -6.887   0.443
   56    HB2  GLU   7           HB2      GLU   7  -2.086  -8.967  -0.801
   57    HB3  GLU   7           HB3      GLU   7  -0.534  -8.158  -0.943
   58    HG2  GLU   7           HG2      GLU   7  -1.042  -8.013   1.807
   59    HG3  GLU   7           HG3      GLU   7  -1.844  -9.502   1.379
   60    H    LYS   8           H        LYS   8  -1.724  -5.815   2.087
   61    HA   LYS   8           HA       LYS   8   0.146  -3.709   1.284
   62    HB2  LYS   8           HB2      LYS   8  -0.855  -4.679   3.970
   63    HB3  LYS   8           HB3      LYS   8   0.550  -3.601   3.845
   64    HG2  LYS   8           HG2      LYS   8  -0.740  -2.004   2.494
   65    HG3  LYS   8           HG3      LYS   8  -2.161  -3.063   2.589
   66    HD2  LYS   8           HD2      LYS   8  -2.534  -1.357   4.179
   67    HD3  LYS   8           HD3      LYS   8  -2.026  -2.759   5.144
   68    HE2  LYS   8           HE2      LYS   8   0.326  -1.841   5.149
   69    HE3  LYS   8           HE3      LYS   8  -0.247  -0.443   4.229
   70    HZ1  LYS   8           HZ1      LYS   8  -1.681   0.124   6.115
   71    HZ2  LYS   8           HZ2      LYS   8  -1.171  -1.184   6.957
   72    HZ3  LYS   8           HZ3      LYS   8  -0.132   0.026   6.613
   73    H    ARG   9           H        ARG   9   2.256  -3.568   1.577
   74    HA   ARG   9           HA       ARG   9   3.881  -6.034   2.045
   75    HB2  ARG   9           HB2      ARG   9   2.980  -5.416  -0.454
   76    HB3  ARG   9           HB3      ARG   9   4.357  -4.337  -0.404
   77    HG2  ARG   9           HG2      ARG   9   5.036  -6.353  -1.468
   78    HG3  ARG   9           HG3      ARG   9   5.802  -6.375   0.136
   79    HD2  ARG   9           HD2      ARG   9   4.081  -7.961   0.939
   80    HD3  ARG   9           HD3      ARG   9   3.219  -7.824  -0.612
   81    HE   ARG   9           HE       ARG   9   6.016  -8.674  -0.836
   82   HH11  ARG   9          HH11      ARG   9   2.720  -9.952  -0.488
   83   HH12  ARG   9          HH12      ARG   9   3.190 -11.452  -1.243
   84   HH21  ARG   9          HH21      ARG   9   6.465 -10.611  -1.766
   85   HH22  ARG   9          HH22      ARG   9   5.220 -11.816  -1.926
   86    H    MET  10           H        MET  10   6.243  -5.542   2.228
   87    HA   MET  10           HA       MET  10   6.882  -2.748   2.948
   88    HB2  MET  10           HB2      MET  10   5.604  -3.615   4.859
   89    HB3  MET  10           HB3      MET  10   6.737  -4.971   5.018
   90    HG2  MET  10           HG2      MET  10   8.542  -3.434   5.602
   91    HG3  MET  10           HG3      MET  10   7.488  -2.036   5.289
   92    HE1  MET  10           HE1      MET  10   7.928  -1.864   9.170
   93    HE2  MET  10           HE2      MET  10   9.145  -2.358   7.972
   94    HE3  MET  10           HE3      MET  10   8.054  -0.990   7.628
   95    H    PHE  11           H        PHE  11   8.913  -2.236   2.739
   96    HA   PHE  11           HA       PHE  11  10.949  -4.184   2.007
   97    HB2  PHE  11           HB2      PHE  11  10.931  -1.175   2.202
   98    HB3  PHE  11           HB3      PHE  11  12.391  -2.101   1.846
   99    HD1  PHE  11           HD1      PHE  11   9.403  -0.658   0.424
  100    HD2  PHE  11           HD2      PHE  11  12.439  -3.662  -0.178
  101    HE1  PHE  11           HE1      PHE  11   8.861  -0.721  -1.998
  102    HE2  PHE  11           HE2      PHE  11  11.883  -3.734  -2.600
  103    HZ   PHE  11           HZ       PHE  11  10.095  -2.261  -3.512
  104    H    ALA  12           H        ALA  12  13.008  -4.472   2.940
  105    HA   ALA  12           HA       ALA  12  13.048  -4.825   5.759
  106    HB1  ALA  12           HB1      ALA  12  15.418  -5.400   5.377
  107    HB2  ALA  12           HB2      ALA  12  14.379  -6.134   4.142
  108    HB3  ALA  12           HB3      ALA  12  15.343  -4.688   3.750
  109    H    ASN  13           H        ASN  13  13.800  -1.969   3.892
  110    HA   ASN  13           HA       ASN  13  15.319  -0.642   6.011
  111    HB2  ASN  13           HB2      ASN  13  15.429   1.228   4.498
  112    HB3  ASN  13           HB3      ASN  13  15.790  -0.268   3.627
  113   HD21  ASN  13          HD21      ASN  13  15.410   1.031   1.747
  114    H    GLY  14           H        GLY  14  12.053  -1.309   5.826
  115    HA2  GLY  14           HA2      GLY  14  10.544  -0.645   7.514
  116    HA3  GLY  14           HA3      GLY  14  11.386   0.896   7.714
  117    H    THR  15           H        THR  15  10.789   0.224   4.383
  118    HA   THR  15           HA       THR  15   8.696   2.308   4.305
  119    HB   THR  15           HB       THR  15  10.253   0.938   2.087
  120    HG1  THR  15           HG1      THR  15  11.648   2.056   3.180
  121   HG21  THR  15          HG21      THR  15   8.220   1.895   1.179
  122   HG22  THR  15          HG22      THR  15   8.523   3.432   2.031
  123   HG23  THR  15          HG23      THR  15   9.613   2.884   0.727
  124    H    VAL  16           H        VAL  16   6.580   1.887   4.074
  125    HA   VAL  16           HA       VAL  16   5.634  -0.834   3.342
  126    HB   VAL  16           HB       VAL  16   4.271   1.589   4.570
  127   HG11  VAL  16          HG11      VAL  16   2.314   0.111   4.943
  128   HG12  VAL  16          HG12      VAL  16   2.581   0.443   3.234
  129   HG13  VAL  16          HG13      VAL  16   3.066  -1.130   3.913
  130   HG21  VAL  16          HG21      VAL  16   4.060   0.126   6.547
  131   HG22  VAL  16          HG22      VAL  16   4.906  -1.177   5.689
  132   HG23  VAL  16          HG23      VAL  16   5.760   0.326   6.105
  133    H    TYR  17           H        TYR  17   4.311  -1.239   1.640
  134    HA   TYR  17           HA       TYR  17   3.381   0.816  -0.241
  135    HB2  TYR  17           HB2      TYR  17   4.643   0.021  -2.115
  136    HB3  TYR  17           HB3      TYR  17   5.791   0.418  -0.848
  137    HD1  TYR  17           HD1      TYR  17   6.815  -1.516   0.533
  138    HD2  TYR  17           HD2      TYR  17   4.675  -2.091  -3.172
  139    HE1  TYR  17           HE1      TYR  17   8.002  -3.670   0.175
  140    HE2  TYR  17           HE2      TYR  17   5.849  -4.263  -3.507
  141    HH   TYR  17           HH       TYR  17   8.402  -5.381  -1.278
  142    H    TYR  18           H        TYR  18   2.660  -0.790  -2.316
  143    HA   TYR  18           HA       TYR  18   0.923  -2.906  -1.135
  144    HB2  TYR  18           HB2      TYR  18   0.192  -0.759  -3.147
  145    HB3  TYR  18           HB3      TYR  18  -0.833  -2.123  -2.681
  146    HD1  TYR  18           HD1      TYR  18   0.627   1.080  -1.554
  147    HD2  TYR  18           HD2      TYR  18  -1.941  -2.224  -0.511
  148    HE1  TYR  18           HE1      TYR  18  -0.219   2.360   0.414
  149    HE2  TYR  18           HE2      TYR  18  -2.841  -0.911   1.399
  150    HH   TYR  18           HH       TYR  18  -2.649   0.990   2.650
  151    H    PHE  19           H        PHE  19   0.508  -4.717  -2.257
  152    HA   PHE  19           HA       PHE  19   1.782  -5.101  -4.908
  153    HB2  PHE  19           HB2      PHE  19   3.409  -5.916  -3.462
  154    HB3  PHE  19           HB3      PHE  19   2.206  -6.692  -2.421
  155    HD1  PHE  19           HD1      PHE  19   1.354  -8.927  -2.862
  156    HD2  PHE  19           HD2      PHE  19   4.006  -6.968  -5.649
  157    HE1  PHE  19           HE1      PHE  19   1.773 -11.087  -3.994
  158    HE2  PHE  19           HE2      PHE  19   4.396  -9.126  -6.795
  159    HZ   PHE  19           HZ       PHE  19   3.280 -11.198  -5.972
  160    H    ASN  20           H        ASN  20   0.731  -6.205  -6.432
  161    HA   ASN  20           HA       ASN  20  -1.975  -7.236  -5.741
  162    HB2  ASN  20           HB2      ASN  20  -1.682  -5.526  -7.534
  163    HB3  ASN  20           HB3      ASN  20  -0.729  -6.702  -8.462
  164   HD21  ASN  20          HD21      ASN  20  -3.531  -5.356  -8.764
  165   HD22  ASN  20          HD22      ASN  20  -4.543  -6.744  -9.171
  166    H    HIS  21           H        HIS  21  -2.006  -9.349  -5.178
  167    HA   HIS  21           HA       HIS  21   0.204 -11.105  -5.924
  168    HB2  HIS  21           HB2      HIS  21  -0.371 -12.354  -4.182
  169    HB3  HIS  21           HB3      HIS  21  -1.275 -10.928  -3.686
  170    HD2  HIS  21           HD2      HIS  21  -4.031 -11.025  -4.307
  171    HE1  HIS  21           HE1      HIS  21  -4.206 -15.283  -4.369
  172    HE2  HIS  21           HE2      HIS  21  -5.590 -13.150  -4.242
  173    H    ILE  22           H        ILE  22  -2.748 -10.389  -7.486
  174    HA   ILE  22           HA       ILE  22  -3.066 -12.962  -8.847
  175    HB   ILE  22           HB       ILE  22  -4.222 -10.236  -9.549
  176   HG12  ILE  22          HG12      ILE  22  -4.860 -10.707  -7.245
  177   HG13  ILE  22          HG13      ILE  22  -6.241 -10.769  -8.341
  178   HG21  ILE  22          HG21      ILE  22  -4.447 -11.761 -11.377
  179   HG22  ILE  22          HG22      ILE  22  -5.061 -13.046 -10.316
  180   HG23  ILE  22          HG23      ILE  22  -6.029 -11.580 -10.614
  181   HD11  ILE  22          HD11      ILE  22  -6.333 -12.534  -6.633
  182   HD12  ILE  22          HD12      ILE  22  -6.237 -13.234  -8.257
  183   HD13  ILE  22          HD13      ILE  22  -4.795 -13.208  -7.213
  184    H    THR  23           H        THR  23  -1.710  -9.754  -9.532
  185    HA   THR  23           HA       THR  23  -0.794 -10.608 -12.226
  186    HB   THR  23           HB       THR  23  -1.011  -8.395 -12.958
  187    HG1  THR  23           HG1      THR  23  -1.755  -6.843 -11.282
  188   HG21  THR  23          HG21      THR  23  -3.291  -7.788 -12.585
  189   HG22  THR  23          HG22      THR  23  -3.229  -9.559 -12.565
  190   HG23  THR  23          HG23      THR  23  -3.356  -8.654 -11.038
  191    H    ASN  24           H        ASN  24   0.577 -10.086  -9.274
  192    HA   ASN  24           HA       ASN  24   2.482  -9.543  -8.382
  193    HB2  ASN  24           HB2      ASN  24   4.557 -10.313  -9.252
  194    HB3  ASN  24           HB3      ASN  24   3.285 -11.501  -9.555
  195   HD21  ASN  24          HD21      ASN  24   5.034  -8.805 -11.155
  196   HD22  ASN  24          HD22      ASN  24   5.078  -9.600 -12.738
  197    H    ALA  25           H        ALA  25   1.087  -7.400 -10.018
  198    HA   ALA  25           HA       ALA  25   3.157  -5.414 -10.509
  199    HB1  ALA  25           HB1      ALA  25   0.915  -5.331 -11.564
  200    HB2  ALA  25           HB2      ALA  25   0.174  -5.084  -9.965
  201    HB3  ALA  25           HB3      ALA  25   1.266  -3.859 -10.638
  202    H    SER  26           H        SER  26   3.424  -3.426  -9.212
  203    HA   SER  26           HA       SER  26   2.505  -3.426  -6.451
  204    HB2  SER  26           HB2      SER  26   4.724  -3.213  -5.419
  205    HB3  SER  26           HB3      SER  26   4.465  -4.806  -6.134
  206    HG   SER  26           HG       SER  26   5.730  -4.201  -7.885
  207    H    GLN  27           H        GLN  27   2.712  -1.462  -5.361
  208    HA   GLN  27           HA       GLN  27   3.834   0.886  -6.705
  209    HB2  GLN  27           HB2      GLN  27   1.770   2.066  -7.027
  210    HB3  GLN  27           HB3      GLN  27   1.662   0.517  -7.870
  211    HG2  GLN  27           HG2      GLN  27   0.283  -0.392  -5.998
  212    HG3  GLN  27           HG3      GLN  27   0.380   1.167  -5.188
  213   HE21  GLN  27          HE21      GLN  27  -1.589   2.159  -5.379
  214   HE22  GLN  27          HE22      GLN  27  -2.530   2.224  -6.883
  215    H    PHE  28           H        PHE  28   3.940   2.745  -5.351
  216    HA   PHE  28           HA       PHE  28   3.795   2.193  -2.491
  217    HB2  PHE  28           HB2      PHE  28   5.713   3.296  -3.014
  218    HB3  PHE  28           HB3      PHE  28   4.911   4.411  -4.127
  219    HD1  PHE  28           HD1      PHE  28   3.802   6.433  -3.376
  220    HD2  PHE  28           HD2      PHE  28   5.613   3.718  -0.551
  221    HE1  PHE  28           HE1      PHE  28   3.609   8.154  -1.600
  222    HE2  PHE  28           HE2      PHE  28   5.436   5.451   1.221
  223    HZ   PHE  28           HZ       PHE  28   4.433   7.670   0.702
  224    H    GLU  29           H        GLU  29   1.859   4.203  -4.634
  225    HA   GLU  29           HA       GLU  29   0.384   5.461  -2.493
  226    HB2  GLU  29           HB2      GLU  29   0.708   6.530  -4.629
  227    HB3  GLU  29           HB3      GLU  29  -0.160   5.232  -5.473
  228    HG2  GLU  29           HG2      GLU  29  -2.246   5.835  -4.339
  229    HG3  GLU  29           HG3      GLU  29  -1.401   7.037  -3.356
  230    H    ARG  30           H        ARG  30  -1.550   5.000  -1.589
  231    HA   ARG  30           HA       ARG  30  -2.378   2.330  -1.316
  232    HB2  ARG  30           HB2      ARG  30  -2.636   3.803   0.461
  233    HB3  ARG  30           HB3      ARG  30  -3.474   5.004  -0.504
  234    HG2  ARG  30           HG2      ARG  30  -4.859   3.902   1.189
  235    HG3  ARG  30           HG3      ARG  30  -5.513   3.840  -0.458
  236    HD2  ARG  30           HD2      ARG  30  -4.060   1.417  -0.060
  237    HD3  ARG  30           HD3      ARG  30  -4.911   1.697   1.441
  238    HE   ARG  30           HE       ARG  30  -6.116   1.356  -1.282
  239   HH11  ARG  30          HH11      ARG  30  -6.798   1.575   2.171
  240   HH12  ARG  30          HH12      ARG  30  -8.470   1.140   1.903
  241   HH21  ARG  30          HH21      ARG  30  -8.159   0.918  -1.498
  242   HH22  ARG  30          HH22      ARG  30  -9.184   0.587  -0.098
  243    HA   PRO  31           HA       PRO  31  -4.573   2.014  -5.181
  244    HB2  PRO  31           HB2      PRO  31  -5.354  -0.634  -5.071
  245    HB3  PRO  31           HB3      PRO  31  -3.684  -0.088  -5.412
  246    HG2  PRO  31           HG2      PRO  31  -4.835  -0.933  -2.723
  247    HG3  PRO  31           HG3      PRO  31  -3.320  -1.489  -3.511
  248    HD2  PRO  31           HD2      PRO  31  -3.273   0.437  -1.672
  249    HD3  PRO  31           HD3      PRO  31  -2.263   0.594  -3.139
  250    H    SER  32           H        SER  32  -6.588   2.267  -5.960
  251    HA   SER  32           HA       SER  32  -8.949   1.939  -4.163
  252    HB2  SER  32           HB2      SER  32 -10.031   3.574  -5.634
  253    HB3  SER  32           HB3      SER  32  -8.538   4.210  -4.923
  254    HG   SER  32           HG       SER  32  -8.689   4.656  -7.166
  255    H    GLY  33           H        GLY  33  -7.497   0.510  -6.930
  256    HA2  GLY  33           HA2      GLY  33  -9.304  -1.614  -7.224
  257    HA3  GLY  33           HA3      GLY  33  -9.820  -0.389  -8.382
  258    H1B  XYP 101           H1       XYP  34  12.590   1.848   1.238
  259    H2B  XYP 101           H2       XYP  34  15.168   2.477  -0.299
  260    H3B  XYP 101           H3       XYP  34  12.327   3.525  -0.743
  261    H4B  XYP 101           H4       XYP  34  13.950   1.604  -2.487
  262   H5B1  XYP 101          H5E       XYP  34  12.327  -0.131  -1.832
  263   H5B2  XYP 101          H5A       XYP  34  11.465   1.021  -0.792
  264   HO2B  XYP 101          H2O       XYP  34  14.752   3.585   1.756
  265   HO3B  XYP 101          H3O       XYP  34  14.143   4.915  -1.323
  266   HO4B  XYP 101          H4O       XYP  34  12.408   3.115  -3.452