*HEADER    RNA POLYMERASE SIGMA FACTOR RPON/DNA    13-DEC-06   2O9L              
*TITLE     AMBER REFINED NMR STRUCTURE OF THE SIGMA-54 RPON DOMAIN               
*TITLE    2 BOUND TO THE-24 PROMOTER ELEMENT                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA POLYMERASE SIGMA FACTOR RPON;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: 5'-D(*TP*TP*TP*TP*GP*GP*CP*AP*CP*GP*TP*TP*TP*C)-           
*COMPND   8 3';                                                                  
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES;                                                     
*COMPND  11 OTHER_DETAILS: NIRB SIGMA-54 BINDING SITE NON-TEMPLATE               
*COMPND  12 STRAND;                                                              
*COMPND  13 MOL_ID: 3;                                                           
*COMPND  14 MOLECULE: 5'-D(*GP*AP*AP*AP*CP*GP*TP*GP*CP*CP*AP*AP*AP*A)-           
*COMPND  15 3';                                                                  
*COMPND  16 CHAIN: C;                                                            
*COMPND  17 ENGINEERED: YES;                                                     
*COMPND  18 OTHER_DETAILS: NIRB SIGMA-54 BINDING SITE NON-TEMPLATE               
*COMPND  19 STRAND                                                               
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: RPON;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) WITH ROSETTA.PLYSS;             
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PSKB3;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 MOL_ID: 3;                                                           
*SOURCE  13 SYNTHETIC: YES                                                       
*KEYWDS    AMBER, GENERALIZED BORN SOLVENT MODEL, PROTEIN-DNA COMPLEX,           
*KEYWDS   2 HELIX-TURN-HELIX, TRANSCRIPTION FACTOR, SIGMA-54, RNA                
*KEYWDS   3 POLYMERASE                                                           
*EXPDTA    NMR, 19 STRUCTURES                                                    
*AUTHOR    M.DOUCLEFF, J.G.PELTON, P.S.LEE, D.E.WEMMER                           
*REVDAT   1   17-JUL-07 2O9L    0                                                


#
# 45 THR HG1 84 THY O2P 1.60 2.40
 &rst
   ixpk= 0, nxpk= 0, iat= 765,1717, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,
         rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
   &end
#
# 45 THR OG1 84 THY O2P 2.55 3.35
  &rst
  ixpk= 0, nxpk= 0, iat= 764,1717, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  
  &end

#
# 83 DG H3' 45 THR QG2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,

      rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
 igr2= 761, 762, 763,
 &end
#
# 84 DT H7 45 THR QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1732,1733,1734,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H8 45 THR QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H1' 45 THR QG2 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H4' 45 THR QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1690,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 761, 762, 763,
 &end
#
# 84 DT H6 45 THR QG2 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H2'2 45 THR QG2 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1713,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H2'1 45 THR QG2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H5'1 45 THR QG2 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 761, 762, 763,
 &end
#
# 83 DG H5'1 45 THR QG2 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 761, 762, 763,
 &end
#
# 84 DT H7 45 THR HA 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 757, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H6 45 THR HA 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729, 757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 83 DG H3' 45 THR HA 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1710, 757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 83 DG H3' 45 THR HB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1710, 759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 83 DG H4' 41 VAL QQG 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1690, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H3' 41 VAL QQG 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1710, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H3' 42 ALA HA 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1742, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H3' 42 ALA QB 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 701, 702, 703,
 &end
#
# 84 DT H6 42 ALA QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
# 84 DT H4' 42 ALA QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
# 84 DT H2'1 42 ALA QB 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1744,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 701, 702, 703,
 &end
#
# 84 DT H1' 42 ALA QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 701, 702, 703,
 &end
#
# 85 DG H8 42 ALA QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 701, 702, 703,
 &end
#
# 84 DT H2'2 42 ALA QB 4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1745,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 701, 702, 703,
 &end
#
# 83 DG H1' 42 ALA QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 701, 702, 703,
 &end
#
# 83 DG H3' 42 ALA QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 701, 702, 703,
 &end
#
# 84 DT H5'1 42 ALA QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 701, 702, 703,
 &end
#
# 67 DT H7 43 ARG HD3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1192,1193,1194,
 &end
#
# 67 DT H7 43 ARG HD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1192,1193,1194,
 &end
#
# 84 DT H6 44 ARG HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729, 731, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H7 44 ARG HA 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H6 44 ARG HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729, 736, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H6 44 ARG HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729, 735, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT Q2' 44 ARG HB3 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1744,1745,
 &end
#
# 84 DT Q2' 44 ARG HB2 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1744,1745,
 &end
#
# 84 DT H7 44 ARG QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1732,1733,1734,
 igr2= 735, 736,
 &end
#
# 84 DT H7 44 ARG HG3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H7 44 ARG HG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 67 DT H3' 47 ALA QB 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 789, 790, 791,
 &end
#
# 67 DT H1' 47 ALA QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 789, 790, 791,
 &end
#
# 67 DT H6 47 ALA QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 789, 790, 791,
 &end
#
# 84 DT H7 48 LYS HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H7 48 LYS HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H7 48 LYS HD3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H7 48 LYS HD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H7 48 LYS HE3 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 809, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1732,1733,1734,
 &end
#
# 84 DT H7 48 LYS HE2 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1732,1733,1734,
 &end
#
# 67 DT H3' 57 SER HA 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 67 DT H3' 57 SER HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 67 DT H3' 57 SER HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1202, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H4' 57 SER HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1151, 957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H4' 57 SER HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1151, 958, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT Q5' 57 SER QB 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1148,1149,
 igr2= 957, 958,
 &end
#
# 66 DT H4' 59 ARG QD 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 985, 986,
 &end
#
# 66 DT H1' 59 ARG QD 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 985, 986,
 &end
#
# 66 DT Q5' 59 ARG QD 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1148,1149,
 igr2= 985, 986,
 &end
#
# 66 DT H4' 59 ARG QG 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 982, 983,
 &end
#
# 66 DT Q5' 59 ARG QG 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1148,1149,
 igr2= 982, 983,
 &end
#
# 66 DT H3' 26 SER HA 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1170, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 66 DT H3' 26 SER HB3 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1170, 442, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 66 DT H3' 26 SER HB2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1170, 441, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 DG H3' 42 ALA HN 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1710, 697, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 84 DT H3' 42 ALA HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1742, 697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG Q2' 42 ALA HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1712,1713,
 &end
#
# 83 DG H3' 45 THR HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1710, 755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H8 45 THR HN 6.0
 &rst
  ixpk= 0, nxpk= 0, iat=1696, 755, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 83 DG Q2' 45 THR HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1712,1713,
 &end
#
# 66 DT H3' 27 ASP HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1170, 448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H3' 28 GLN HN 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1170, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 64 DT5 H1' 64 DT5 Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,

      rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
 igr2=1108,1109,
 &end
#
# 64 DT5 H1' 64 DT5 H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1106, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 DT5 H1' 65 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1128,1129,1130,
 &end
#
# 64 DT5 H6 64 DT5 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 64 DT5 H6 64 DT5 Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1108,1109,
 &end
#
# 64 DT5 H6 64 DT5 H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1106, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 DT5 H6 64 DT5 H4' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1087, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 DT5 H6 64 DT5 H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1096,1097,1098,
 &end
#
# 64 DT5 H6 64 DT5 Q5' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1084,1085,
 &end
#
# 64 DT5 H6 65 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1093,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1128,1129,1130,
 &end
#
# 65 DT H1' 65 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1140,1141,
 &end
#
# 65 DT H1' 65 DT H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1138, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 65 DT H1' 65 DT H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1119, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 65 DT H1' 65 DT Q5' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1116,1117,
 &end
#
# 65 DT H1' 66 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1160,1161,1162,
 &end
#
# 65 DT H6 64 DT5 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 65 DT H6 64 DT5 Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1108,1109,
 &end
#
# 65 DT H6 64 DT5 H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1106, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 65 DT H6 65 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1122, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 65 DT H6 65 DT Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1140,1141,
 &end
#
# 65 DT H6 65 DT H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1138, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 65 DT H6 65 DT H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 65 DT H6 65 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1128,1129,1130,
 &end
#
# 65 DT H6 65 DT Q5' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1116,1117,
 &end
#
# 65 DT H6 66 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1160,1161,1162,
 &end
#
# 66 DT H1' 66 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1172,1173,
 &end
#
# 66 DT H1' 66 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1154,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H1' 67 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1192,1193,1194,
 &end
#
# 66 DT H3 89 DA H2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1895, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 66 DT H6 65 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1122, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H6 65 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1140,1141,
 &end
#
# 66 DT H6 65 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H6 66 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H6 66 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1172,1173,
 &end
#
# 66 DT H6 66 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 DT H6 66 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1160,1161,1162,
 &end
#
# 66 DT H6 67 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1192,1193,1194,
 &end
#
# 67 DT H1' 67 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1204,1205,
 &end
#
# 67 DT H1' 67 DT H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1202, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 67 DT H1' 67 DT H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1183, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 67 DT H3 88 DA H2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1863, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 67 DT H3 89 DA H2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 67 DT H6 66 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 67 DT H6 66 DT Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1172,1173,
 &end
#
# 67 DT H6 67 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 67 DT H6 67 DT Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1204,1205,
 &end
#
# 67 DT H6 67 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 67 DT H6 67 DT H7 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1192,1193,1194,
 &end
#
# 68 DG H1' 68 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1237,1238,
 &end
#
# 68 DG H1' 68 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 68 DG H1' 68 DG H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 68 DG H1 67 DT H3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 68 DG H1 87 DC H41 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1829, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 68 DG H1 87 DC H42 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1830, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 68 DG H1 87 DC H5 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1826, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 68 DG H1 88 DA H2 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1863, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 68 DG H8 67 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 68 DG H8 67 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 68 DG H8 68 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 68 DG H8 68 DG Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1237,1238,
 &end
#
# 69 DG H1' 69 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1270,1271,
 &end
#
# 69 DG H1 86 DC H41 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1799, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 69 DG H1 86 DC H42 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1800, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 69 DG H1 86 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 69 DG H8 68 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 69 DG H8 68 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1237,1238,
 &end
#
# 69 DG H8 68 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 69 DG H8 69 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 69 DG H8 69 DG Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1270,1271,
 &end
#
# 69 DG H8 69 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 69 DG H8 70 DC H5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1289, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 70 DC H1' 70 DC Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1300,1301,
 &end
#
# 70 DC H1' 70 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H1' 70 DC H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1281, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 70 DC H1' 70 DC Q5' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1278,1279,
 &end
#
# 70 DC H42 70 DC H41 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H42 70 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H5 69 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1270,1271,
 &end
#
# 70 DC H5 70 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1300,1301,
 &end
#
# 70 DC H6 69 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H6 69 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1270,1271,
 &end
#
# 70 DC H6 69 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H6 70 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H6 70 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1300,1301,
 &end
#
# 70 DC H6 70 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 70 DC H6 70 DC H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1287,1289, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 71 DA H1' 71 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1332,1333,
 &end
#
# 71 DA H1' 71 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 DA H1' 71 DA H4' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1311, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 71 DA H1' 72 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 DA H8 70 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 DA H8 70 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1300,1301,
 &end
#
# 71 DA H8 71 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 DA H8 71 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1332,1333,
 &end
#
# 71 DA H8 71 DA H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1330, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 71 DA H8 71 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 DA H8 72 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 72 DC H1' 72 DC Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1346,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1362,1363,
 &end
#
# 72 DC H1' 72 DC H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1360, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 72 DC H42 72 DC H41 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1354, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 72 DC H5 71 DA Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1332,1333,
 &end
#
# 72 DC H5 72 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1362,1363,
 &end
#
# 72 DC H6 71 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 72 DC H6 71 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1332,1333,
 &end
#
# 72 DC H6 71 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1330, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 72 DC H6 72 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1346, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 72 DC H6 72 DC Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1362,1363,
 &end
#
# 72 DC H6 72 DC H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1360, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 72 DC H6 72 DC H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 73 DG H1' 73 DG Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1395,1396,
 &end
#
# 73 DG H1' 73 DG H4' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1373, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 73 DG H1' 74 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1415,1416,1417,
 &end
#
# 73 DG H1 73 DG Q2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1389,1388,
 &end
#
# 73 DG H1 81 DA H2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 DG H1 82 DC Q4 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1671,1672,
 &end
#
# 73 DG H1 82 DC H42 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1672, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 73 DG H1 82 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 DG H8 72 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1346, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 DG H8 72 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1362,1363,
 &end
#
# 73 DG H8 72 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 DG H8 73 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1376, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 DG H8 73 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1395,1396,
 &end
#
# 73 DG H8 73 DG H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1393, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 73 DG H8 73 DG H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 DG H8 73 DG Q5' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1370,1371,
 &end
#
# 73 DG H8 74 DT H7 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1415,1416,1417,
 &end
#
# 74 DT H1' 74 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1427,1428,
 &end
#
# 74 DT H1' 74 DT H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 74 DT H1' 74 DT H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1406, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 74 DT H1' 75 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1447,1448,1449,
 &end
#
# 74 DT H3 73 DG H1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 74 DT H3 80 DA H2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1611, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 74 DT H3 81 DA H2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1643, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 74 DT H6 73 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1395,1396,
 &end
#
# 74 DT H6 73 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1412,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 74 DT H6 74 DT H1' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1412,1409, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 74 DT H6 74 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1427,1428,
 &end
#
# 74 DT H6 74 DT H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1412,1425, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 74 DT H6 74 DT H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1412,1406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 74 DT H6 74 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1415,1416,1417,
 &end
#
# 74 DT H6 74 DT Q5' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1403,1404,
 &end
#
# 74 DT H6 75 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1447,1448,1449,
 &end
#
# 75 DT H1' 75 DT Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1459,1460,
 &end
#
# 75 DT H1' 75 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 75 DT H1' 76 DT H7 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1479,1480,1481,
 &end
#
# 75 DT H1' 76 DT H6 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 75 DT H3 80 DA H2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1453,1611, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 75 DT H3 81 DA H2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1453,1643, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 75 DT H6 74 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 75 DT H6 74 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1427,1428,
 &end
#
# 75 DT H6 74 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 75 DT H6 75 DT H1' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1441, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 75 DT H6 75 DT Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1459,1460,
 &end
#
# 75 DT H6 75 DT H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1457, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 75 DT H6 75 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1447,1448,1449,
 &end
#
# 75 DT H6 76 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1479,1480,1481,
 &end
#
# 76 DT H1' 76 DT Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1473,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1491,1492,
 &end
#
# 76 DT H1' 76 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1473,1489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 76 DT H1' 76 DT H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1473,1470, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 76 DT H1' 76 DT H6 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1473,1476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 76 DT H6 75 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1459,1460,
 &end
#
# 76 DT H6 76 DT Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1491,1492,
 &end
#
# 76 DT H6 76 DT H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1489, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 76 DT H6 76 DT H7 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1479,1480,1481,
 &end
#
# 76 DT H6 77 DC3 H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 DC3 H1' 77 DC3 Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1521,1522,
 &end
#
# 77 DC3 H1' 77 DC3 H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 DC3 H1' 77 DC3 H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1502, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 77 DC3 H5 76 DT Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1491,1492,
 &end
#
# 77 DC3 H5 76 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 DC3 H5 76 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1479,1480,1481,
 &end
#
# 77 DC3 H5 77 DC3 Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1521,1522,
 &end
#
# 77 DC3 H5 77 DC3 H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1519, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 DC3 H6 76 DT H1' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1508,1473, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 DC3 H6 76 DT Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1491,1492,
 &end
#
# 77 DC3 H6 76 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1508,1489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 DC3 H6 77 DC3 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1508,1505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 DC3 H6 77 DC3 Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1521,1522,
 &end
#
# 77 DC3 H6 77 DC3 H3' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1508,1519, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 77 DC3 H6 77 DC3 H4' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1508,1502, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 DC3 H6 77 DC3 H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1508,1510, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 78 DG5 H1' 78 DG5 Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1553,1554,
 &end
#
# 78 DG5 H1' 78 DG5 H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 78 DG5 H1' 78 DG5 H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 78 DG5 H8 78 DG5 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 78 DG5 H8 78 DG5 Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1537,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1553,1554,
 &end
#
# 78 DG5 H8 78 DG5 H3' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1551, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 78 DG5 H8 78 DG5 H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 78 DG5 H8 78 DG5 Q5' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1537,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1528,1529,
 &end
#
# 79 DA H1' 79 DA Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1567,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1585,1586,
 &end
#
# 79 DA H1' 79 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 DA H1' 79 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1567,1564, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 DA H2 77 DC3 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1505, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 DA H2 79 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 DA H2 80 DA H2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1611, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 79 DA H8 78 DG5 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 DA H8 78 DG5 Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1553,1554,
 &end
#
# 79 DA H8 78 DG5 H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1551, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 79 DA H8 79 DA H1' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1567, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 DA H8 79 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1585,1586,
 &end
#
# 79 DA H8 79 DA H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1583, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 79 DA H8 79 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1564, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 80 DA H1' 80 DA Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1617,1618,
 &end
#
# 80 DA H1' 80 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1599,1615, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 80 DA H1' 80 DA H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1599,1596, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 80 DA H1' 80 DA Q5' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1593,1594,
 &end
#
# 80 DA H2 80 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1599, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 80 DA H8 79 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 80 DA H8 79 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1585,1586,
 &end
#
# 80 DA H8 79 DA H4' 5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 DA H8 80 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1599, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 80 DA H8 80 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1617,1618,
 &end
#
# 80 DA H8 80 DA H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1615, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 80 DA H8 80 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1596, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 81 DA H1' 81 DA Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1649,1650,
 &end
#
# 81 DA H1' 81 DA H4' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1631,1628, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 81 DA H1' 82 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1631,1668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 81 DA H2 80 DA H2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1611, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 81 DA H2 81 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1643,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 81 DA H8 80 DA H1' 4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 81 DA H8 80 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1634,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1617,1618,
 &end
#
# 81 DA H8 80 DA H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1615, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 81 DA H8 81 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 81 DA H8 81 DA Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1634,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1649,1650,
 &end
#
# 81 DA H8 81 DA H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1647, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 81 DA H8 81 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1634,1628, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 82 DC H1' 82 DC Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1663,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1679,1680,
 &end
#
# 82 DC H1' 82 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1677, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 82 DC H1' 82 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1663,1668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 82 DC H42 82 DC H41 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1671, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 82 DC H42 82 DC H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1668, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 82 DC H5 82 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1679,1680,
 &end
#
# 82 DC H6 81 DA H1' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1631, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 82 DC H6 81 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1666,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1649,1650,
 &end
#
# 82 DC H6 81 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1647, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 82 DC H6 82 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 82 DC H6 82 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1666,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1679,1680,
 &end
#
# 82 DC H6 82 DC H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1677, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 82 DC H6 82 DC H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1666,1668, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 83 DG H1' 83 DG Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1712,1713,
 &end
#
# 83 DG H1' 83 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1693,1710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H1' 83 DG H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1693,1690, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H1' 84 DT H7 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1693,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1732,1733,1734,
 &end
#
# 83 DG H1 71 DA H2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1326, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 DG H1 72 DC Q4 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1354,1355,
 &end
#
# 83 DG H1 72 DC H42 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1355, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 83 DG H1 72 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H1 73 DG H1 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1385, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 83 DG H1 83 DG Q2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1706,1705,
 &end
#
# 83 DG H1 84 DT H3 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1702,1738, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 DG H8 82 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H8 82 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1679,1680,
 &end
#
# 83 DG H8 82 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1677, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H8 83 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H8 83 DG Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1712,1713,
 &end
#
# 83 DG H8 83 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1696,1710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 DG H8 84 DT H7 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1732,1733,1734,
 &end
#
# 84 DT H1' 84 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1744,1745,
 &end
#
# 84 DT H1' 84 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H1' 84 DT H4' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 84 DT H3 70 DC H41 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1738,1292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H3 70 DC H42 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1738,1293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H3 71 DA H2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1738,1326, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 84 DT H3 71 DA Q6 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1738,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1322,1323,
 &end
#
# 84 DT H6 83 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1693, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H6 83 DG Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1712,1713,
 &end
#
# 84 DT H6 83 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H6 84 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H6 84 DT Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1744,1745,
 &end
#
# 84 DT H6 84 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 84 DT H6 84 DT H7 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1732,1733,1734,
 &end
#
# 85 DG H1' 85 DG Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1777,1778,
 &end
#
# 85 DG H1' 85 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1758,1775, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1' 85 DG H4' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1758,1755, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 85 DG H1' 86 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1758,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 69 DG H1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 70 DC H41 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 70 DC H42 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 70 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1289, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 71 DA H2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 84 DT H3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1738, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H1 85 DG Q2 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1771,1770,
 &end
#
# 85 DG H8 84 DT H1' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1726, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 85 DG H8 84 DT Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1744,1745,
 &end
#
# 85 DG H8 84 DT H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1742, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H8 85 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1758, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H8 85 DG Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1761,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1777,1778,
 &end
#
# 85 DG H8 85 DG H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1775, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 85 DG H8 85 DG H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1755, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 DG H8 86 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 DC H1' 86 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1791,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1807,1808,
 &end
#
# 86 DC H1' 87 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1791,1826, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 DC H42 86 DC H41 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1799, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 86 DC H42 86 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 DC H5 85 DG Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1796,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1777,1778,
 &end
#
# 86 DC H5 86 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1796,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1807,1808,
 &end
#
# 86 DC H6 85 DG H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1758, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 DC H6 85 DG Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1777,1778,
 &end
#
# 86 DC H6 85 DG H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1775, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 DC H6 86 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 DC H6 86 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1807,1808,
 &end
#
# 86 DC H6 86 DC H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1805, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 86 DC H6 86 DC H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1796, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 87 DC H42 86 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1830,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 DC H42 87 DC H41 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1830,1829, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 87 DC H42 87 DC H5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1830,1826, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 87 DC H5 86 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 DC H5 86 DC H5 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 DC H5 87 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1826,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1837,1838,
 &end
#
# 87 DC H5 87 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1835, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 DC H6 86 DC H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 DC H6 86 DC Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1824,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1807,1808,
 &end
#
# 87 DC H6 86 DC H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 DC H6 87 DC Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1824,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1837,1838,
 &end
#
# 87 DC H6 87 DC H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1835, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 87 DC H6 87 DC H5 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1826, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 88 DA H1' 88 DA H8 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1851,1854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 88 DA H8 87 DC Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1854,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1837,1838,
 &end
#
# 88 DA H8 87 DC H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1854,1835, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 89 DA H1' 89 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1901,1902,
 &end
#
# 89 DA H1' 89 DA H3' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1899, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 89 DA H1' 89 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1883,1880, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 DA H1' 89 DA Q5' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1877,1878,
 &end
#
# 89 DA H2 67 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 DA H2 88 DA H2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1895,1863, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 89 DA H8 89 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1886,1883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 DA H8 89 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1886,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1901,1902,
 &end
#
# 89 DA H8 89 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1886,1899, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 DA H8 89 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1886,1880, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H1' 90 DA Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1915,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1933,1934,
 &end
#
# 90 DA H1' 90 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1915,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H1' 90 DA H4' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1915,1912, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 90 DA H2 66 DT H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H2 89 DA H2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H2 90 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1927,1915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H8 89 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H8 89 DA Q2' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1918,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1901,1902,
 &end
#
# 90 DA H8 90 DA H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H8 90 DA Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1918,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1933,1934,
 &end
#
# 90 DA H8 90 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 90 DA H8 90 DA H4' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1918,1912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 91 DA3 H1' 91 DA3 Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1965,1966,
 &end
#
# 91 DA3 H1' 91 DA3 H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1947,1963, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 91 DA3 H2 64 DT5 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 91 DA3 H2 65 DT H1' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1122, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 91 DA3 H2 90 DA H2 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1927, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 91 DA3 H2 91 DA3 H1' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1959,1947, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 91 DA3 H8 90 DA H1' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1950,1915, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 91 DA3 H8 90 DA Q2' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1950,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1933,1934,
 &end
#
# 91 DA3 H8 90 DA H3' 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1950,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 91 DA3 H8 91 DA3 H1' 3.8
 &rst
  ixpk= 0, nxpk= 0, iat=1950,1947, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 91 DA3 H8 91 DA3 Q2' 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1950,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1965,1966,
 &end
#
# 91 DA3 H8 91 DA3 H3' 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1950,1963, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 1 HID HA 2 MET HN 2.61
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, 
      rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 1 HID HA 3 LEU HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  38, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 1 HID QB 2 MET HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=   8,   9,
 &end
#
# 1 HID QB 3 LEU HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=   8,   9,
 &end
#
# 2 MET QB 3 LEU HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=  25,  26,
 &end
#
# 2 MET QG 3 LEU HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=  28,  29,
 &end
#
# 2 MET HN 2 MET QB 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=  25,  26,
 &end
#
# 2 MET HN 2 MET QG 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=  28,  29,
 &end
#
# 3 LEU HA 3 LEU QD1 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=  47,  48,  49,
 &end
#
# 3 LEU HA 3 LEU QD2 2.40
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=  51,  52,  53,
 &end
#
# 3 LEU HA 4 THR HN 2.72
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  57, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 3 LEU HA 7 GLU HB3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 3 LEU HB3 3 LEU QD1 2.40
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2=  47,  48,  49,
 &end
#
# 3 LEU HB3 4 THR HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  57, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 3 LEU HB3 6 GLY HN 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  88, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 3 LEU HB3 7 GLU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 LEU HB3 7 GLU HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  95, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 3 LEU HB3 8 LEU HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 110, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 3 LEU HB3 39 PHE HD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 647, 655,
 &end
#
# 3 LEU HB2 4 THR HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 LEU HB2 7 GLU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 LEU HB2 7 GLU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 LEU HB2 8 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 123, 124, 125,
 &end
#
# 3 LEU QD1 4 THR HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 7 GLU HA 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 7 GLU HB3 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 7 GLU HG2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 7 GLU HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 8 LEU QD2 2.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=  47,  48,  49,
 igr2= 123, 124, 125,
 &end
#
# 3 LEU QD1 8 LEU HG 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 8 LEU HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 9 MET HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 39 PHE HB3 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 39 PHE HB2 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 39 PHE HD 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  47,  48,  49,
 igr2= 647, 655,
 &end
#
# 3 LEU QD1 39 PHE HE 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  47,  48,  49,
 igr2= 649, 653,
 &end
#
# 3 LEU QD1 39 PHE HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 40 LYS HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 41 VAL HA 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 41 VAL HB 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD1 41 VAL QG1 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  47,  48,  49,
 igr2= 687, 688, 689,
 &end
#
# 3 LEU QD1 41 VAL HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=  47,  48,  49,
 &end
#
# 3 LEU QD2 4 THR HN 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  57, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1=  51,  52,  53,
 &end
#
# 3 LEU QD2 7 GLU HB3 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=  51,  52,  53,
 &end
#
# 3 LEU QD2 7 GLU HB2 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
# 3 LEU QD2 7 GLU HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=  51,  52,  53,
 &end
#
# 3 LEU QD2 39 PHE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
# 3 LEU QD2 39 PHE HB3 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=  51,  52,  53,
 &end
#
# 3 LEU QD2 39 PHE HD 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=  51,  52,  53,
 igr2= 647, 655,
 &end
#
# 3 LEU HN 3 LEU HB2 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  42, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 3 LEU HN 3 LEU QD1 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=  47,  48,  49,
 &end
#
# 3 LEU HN 3 LEU HG 3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  45, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 3 LEU HN 4 THR HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  57, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 3 LEU HN 7 GLU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 LEU HN 8 LEU QD2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 123, 124, 125,
 &end
#
# 4 THR HA 5 GLN HN 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  71, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 4 THR HA 6 GLY HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  88, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 4 THR HA 7 GLU HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  95, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 4 THR HB 5 GLN HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  75, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 4 THR HB 5 GLN HN 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  71, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 4 THR HB 6 GLY HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  88, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 4 THR HB 7 GLU HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  95, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 4 THR QG2 5 GLN HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  63,  64,  65,
 &end
#
# 4 THR QG2 6 GLY HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=  63,  64,  65,
 &end
#
# 4 THR QG2 7 GLU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  63,  64,  65,
 &end
#
# 4 THR QG2 7 GLU HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  63,  64,  65,
 &end
#
# 4 THR QG2 7 GLU HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=  63,  64,  65,
 &end
#
# 4 THR HN 4 THR QG 2.69
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2=  63,  64,  65,
 &end
#
# 4 THR HN 5 GLN HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  71, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 4 THR HN 6 GLY HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  88, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 4 THR HN 7 GLU HA 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  97, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 4 THR HN 7 GLU HB3 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 100, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 4 THR HN 7 GLU HB2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  99, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 4 THR HN 7 GLU HG3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  57, 103, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 4 THR HN 7 GLU HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 4 THR HN 8 LEU QD2 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 123, 124, 125,
 &end
#
# 5 GLN HB3 6 GLY HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  88, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 5 GLN HB2 6 GLY HA3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 GLN HB2 6 GLY HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  88, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 5 GLN QG 6 GLY HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  78,  79,
 &end
#
# 5 GLN QG 7 GLU HN 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=  78,  79,
 &end
#
# 5 GLN HN 5 GLN HB3 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 5 GLN HN 5 GLN HB2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  75, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 5 GLN HN 5 GLN QE2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=  83,  84,
 &end
#
# 5 GLN HN 5 GLN HG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  78, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 5 GLN HN 5 GLN HG3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  79, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 5 GLN HN 7 GLU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 GLN HN 7 GLU HN 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  95, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 6 GLY HA3 9 MET HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 GLY HA3 10 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 GLY HA2 7 GLU HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  95, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 6 GLY HA2 8 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 GLY HA2 8 LEU HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 110, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 6 GLY HA2 9 MET HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 GLY HA2 9 MET HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 129, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 6 GLY HN 7 GLU HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  99, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 6 GLY HN 7 GLU HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  95, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 6 GLY HN 10 LYS HD3 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 157, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 6 GLY HN 10 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 GLY HN 11 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 181, 182, 183,
 &end
#
# 7 GLU HA 8 LEU HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 110, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 7 GLU HB3 8 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 GLU HB3 8 LEU HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 110, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 7 GLU HB2 8 LEU HN 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 110, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 7 GLU HG2 11 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 181, 182, 183,
 &end
#
# 7 GLU HG2 11 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 GLU HN 7 GLU HA 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  97, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 7 GLU HN 7 GLU HB3 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 100, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 7 GLU HN 7 GLU HB2 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  99, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 7 GLU HN 7 GLU HG3 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 103, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 7 GLU HN 8 LEU QD2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 123, 124, 125,
 &end
#
# 7 GLU HN 8 LEU HG 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 117, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 7 GLU HN 8 LEU HN 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 110, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 7 GLU HN 9 MET HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 129, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 7 GLU HN 10 LYS HD3 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 157, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 7 GLU HN 10 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 159, 160,
 &end
#
# 7 GLU HN 10 LYS HN 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 146, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 7 GLU HN 11 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 181, 182, 183,
 &end
#
# 7 GLU HN 39 PHE HD 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 647, 655,
 &end
#
# 7 GLU HN 39 PHE HE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 649, 653,
 &end
#
# 8 LEU HA 11 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HA 11 LEU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HA 11 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 181, 182, 183,
 &end
#
# 8 LEU HB3 8 LEU QD1 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 119, 120, 121,
 &end
#
# 8 LEU HB2 8 LEU QD1 2.57
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2= 119, 120, 121,
 &end
#
# 8 LEU HB2 8 LEU HG 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 117, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 8 LEU HB2 41 VAL HB 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 685, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 8 LEU HB2 41 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 687, 688, 689,
 &end
#
# 8 LEU HB2 46 VAL HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HB2 46 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HB2 46 VAL QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 779, 780, 781,
 &end
#
# 8 LEU QD1 9 MET HA 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 9 MET HB2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 9 MET HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 11 LEU HN 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 12 ILE HN 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 41 VAL HB 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 41 VAL QG2 2.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 119, 120, 121,
 igr2= 691, 692, 693,
 &end
#
# 8 LEU QD1 45 THR HB 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 45 THR QG 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 119, 120, 121,
 igr2= 761, 762, 763,
 &end
#
# 8 LEU QD1 45 THR HN 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 46 VAL HA 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 46 VAL QG2 2.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1= 119, 120, 121,
 igr2= 779, 780, 781,
 &end
#
# 8 LEU QD1 46 VAL HN 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD1 49 TYR HD 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 119, 120, 121,
 igr2= 825, 834,
 &end
#
# 8 LEU QD1 49 TYR HE 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 119, 120, 121,
 igr2= 827, 832,
 &end
#
# 8 LEU QD1 49 TYR HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 119, 120, 121,
 &end
#
# 8 LEU QD2 9 MET HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU QD2 39 PHE HB3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU QD2 39 PHE HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU QD2 41 VAL HB 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU QD2 41 VAL HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU QD2 42 ALA HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU QD2 46 VAL HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 123, 124, 125,
 &end
#
# 8 LEU HG 9 MET HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HG 9 MET HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 8 LEU HG 41 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 LEU HG 49 TYR HD 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 825, 834,
 &end
#
# 8 LEU HN 8 LEU HB3 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 8 LEU HN 8 LEU QD1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 119, 120, 121,
 &end
#
# 8 LEU HN 8 LEU QD2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 123, 124, 125,
 &end
#
# 8 LEU HN 8 LEU HG 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 117, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 8 LEU HN 9 MET HB3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 134, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 8 LEU HN 9 MET HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 129, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 8 LEU HN 10 LYS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 146, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 8 LEU HN 11 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 181, 182, 183,
 &end
#
# 9 MET HA 12 ILE HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 187, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 9 MET HA 53 LEU QD1 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 903, 904, 905,
 &end
#
# 9 MET HB3 10 LYS HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 146, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 9 MET HB2 10 LYS HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 146, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 9 MET HB2 53 LEU QD1 2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 903, 904, 905,
 &end
#
# 9 MET HG3 10 LYS HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 146, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 9 MET HG3 12 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 MET HG3 53 LEU QD1 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 903, 904, 905,
 &end
#
# 9 MET HG3 53 LEU QD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 907, 908, 909,
 &end
#
# 9 MET HG2 53 LEU QD2 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 907, 908, 909,
 &end
#
# 9 MET HN 9 MET HB2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 9 MET HN 9 MET HG3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 137, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 9 MET HN 9 MET HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 MET HN 10 LYS HG2 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 153, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 9 MET HN 10 LYS HN 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 146, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 9 MET HN 11 LEU HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 168, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 9 MET HN 53 LEU QD1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 903, 904, 905,
 &end
#
# 10 LYS HA 13 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 LYS HA 13 LYS HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 206, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 10 LYS HA 53 LEU QD2 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 907, 908, 909,
 &end
#
# 10 LYS HG2 11 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 LYS HN 10 LYS HB3 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 151, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 10 LYS HN 10 LYS HD3 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 157, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 10 LYS HN 10 LYS QE 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 159, 160,
 &end
#
# 10 LYS HN 10 LYS HG3 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 154, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 10 LYS HN 10 LYS HG2 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 153, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 10 LYS HN 11 LEU HB2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 172, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 10 LYS HN 11 LEU QD1 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 177, 178, 179,
 &end
#
# 10 LYS HN 11 LEU QD2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 181, 182, 183,
 &end
#
# 10 LYS HN 11 LEU HN 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 168, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 10 LYS HN 12 ILE HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 187, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 10 LYS HN 49 TYR HD 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 825, 834,
 &end
#
# 10 LYS HN 53 LEU QD1 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 903, 904, 905,
 &end
#
# 10 LYS HN 53 LEU QD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 907, 908, 909,
 &end
#
# 11 LEU HA 11 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 181, 182, 183,
 &end
#
# 11 LEU HA 12 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LEU HB3 12 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LEU HB3 12 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LEU HB2 12 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LEU HB2 12 ILE HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 187, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 11 LEU HB2 13 LYS HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 206, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 11 LEU HB2 14 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 232, 233,
 &end
#
# 11 LEU QD1 14 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 177, 178, 179,
 igr2= 232, 233,
 &end
#
# 11 LEU QD1 14 GLU QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 177, 178, 179,
 igr2= 235, 236,
 &end
#
# 11 LEU QD2 12 ILE HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 181, 182, 183,
 &end
#
# 11 LEU QD2 13 LYS HN 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 181, 182, 183,
 &end
#
# 11 LEU QD2 39 PHE HE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 181, 182, 183,
 igr2= 649, 653,
 &end
#
# 11 LEU HN 11 LEU HB2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 172, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 11 LEU HN 11 LEU QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 177, 178, 179,
 &end
#
# 11 LEU HN 11 LEU QD2 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 181, 182, 183,
 &end
#
# 11 LEU HN 12 ILE HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 11 LEU HN 12 ILE HG13 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 198, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 11 LEU HN 12 ILE HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 187, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 12 ILE HA 14 GLU HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 228, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 12 ILE HA 15 ILE HG13 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ILE HA 15 ILE HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 243, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 12 ILE HA 16 VAL HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 262, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 12 ILE HB 13 LYS HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 206, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 12 ILE QD1 13 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 13 LYS HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 49 TYR HB3 3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 49 TYR HB2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 50 ARG HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 51 GLU HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 52 MET HN 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE QD1 53 LEU HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 200, 201, 202,
 &end
#
# 12 ILE HG13 13 LYS HN 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 206, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 12 ILE HG12 13 LYS HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 206, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 12 ILE HG12 49 TYR HB3 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 822, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 12 ILE QG2 49 TYR HB3 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 193, 194, 195,
 &end
#
# 12 ILE QG2 49 TYR HB2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 193, 194, 195,
 &end
#
# 12 ILE HN 12 ILE HB 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 191, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 12 ILE HN 12 ILE HG13 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 198, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 12 ILE HN 12 ILE HG12 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 12 ILE HN 13 LYS HG3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 214, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 12 ILE HN 13 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 ILE HN 13 LYS HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 206, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 12 ILE HN 14 GLU QB 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 232, 233,
 &end
#
# 12 ILE HN 49 TYR HD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 825, 834,
 &end
#
# 12 ILE HN 53 LEU QD1 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 903, 904, 905,
 &end
#
# 12 ILE HN 53 LEU QD2 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 907, 908, 909,
 &end
#
# 13 LYS HA 17 GLU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 278, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 13 LYS HG2 53 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 LYS HG2 54 GLY HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 LYS HG2 55 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 933, 934, 935,
 &end
#
# 13 LYS HN 13 LYS HB3 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 13 LYS HN 13 LYS QD 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 216, 217,
 &end
#
# 13 LYS HN 13 LYS HG3 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 214, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 13 LYS HN 13 LYS HG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 13 LYS HN 53 LEU QD2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 907, 908, 909,
 &end
#
# 14 GLU QB 16 VAL HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 232, 233,
 &end
#
# 14 GLU QG 15 ILE HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 235, 236,
 &end
#
# 14 GLU QG 15 ILE HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 235, 236,
 &end
#
# 14 GLU HN 14 GLU QB 2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 232, 233,
 &end
#
# 14 GLU HN 15 ILE HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 243, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 14 GLU HN 16 VAL HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 262, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 14 GLU HN 17 GLU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLU HN 17 GLU HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 278, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 15 ILE HA 17 GLU HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 15 ILE HA 18 ASN HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 293, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 15 ILE QD1 16 VAL HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 256, 257, 258,
 &end
#
# 15 ILE QD1 17 GLU HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 256, 257, 258,
 &end
#
# 15 ILE QD1 18 ASN HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 256, 257, 258,
 &end
#
# 15 ILE QD1 19 GLU HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 256, 257, 258,
 &end
#
# 15 ILE HG13 16 VAL HA 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 264, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 15 ILE HG13 16 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 268, 269, 270,
 &end
#
# 15 ILE HG13 16 VAL HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 262, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 15 ILE HG13 17 GLU HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 278, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 15 ILE HG12 16 VAL HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 262, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 15 ILE QG2 18 ASN HN 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 249, 250, 251,
 &end
#
# 15 ILE HN 15 ILE QD1 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 256, 257, 258,
 &end
#
# 15 ILE HN 15 ILE HG13 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 254, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 15 ILE HN 15 ILE HG12 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 253, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 15 ILE HN 16 VAL HA 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 264, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 15 ILE HN 16 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 268, 269, 270,
 &end
#
# 15 ILE HN 16 VAL HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 15 ILE HN 17 GLU HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 278, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 15 ILE HN 18 ASN HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 293, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 16 VAL HA 16 VAL QG1 2.59
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2= 268, 269, 270,
 &end
#
# 16 VAL HA 16 VAL QG2 2.71
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2= 272, 273, 274,
 &end
#
# 16 VAL HA 18 ASN HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 293, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 16 VAL HA 19 GLU HG3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 315, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 16 VAL HA 19 GLU HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 314, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 16 VAL HA 19 GLU HN 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 307, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 16 VAL HA 20 ASP HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 322, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 16 VAL HA 25 TYR HD 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 424, 433,
 &end
#
# 16 VAL HA 25 TYR HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 416, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 16 VAL QG1 17 GLU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 17 GLU HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 18 ASN HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 19 GLU HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 19 GLU HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 20 ASP HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 24 PRO HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 25 TYR HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 25 TYR HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 25 TYR HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 268, 269, 270,
 &end
#
# 16 VAL QG1 25 TYR HD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 268, 269, 270,
 igr2= 424, 433,
 &end
#
# 16 VAL QG2 17 GLU HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 272, 273, 274,
 &end
#
# 16 VAL HN 16 VAL HB 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 16 VAL HN 16 VAL QG1 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 268, 269, 270,
 &end
#
# 16 VAL HN 16 VAL QG2 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 272, 273, 274,
 &end
#
# 16 VAL HN 17 GLU QG 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 285, 286,
 &end
#
# 16 VAL HN 17 GLU HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 278, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 16 VAL HN 18 ASN HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 293, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 16 VAL HN 19 GLU HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 VAL HN 19 GLU HN 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 307, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 16 VAL HN 25 TYR HD 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 424, 433,
 &end
#
# 16 VAL HN 25 TYR HE 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 426, 431,
 &end
#
# 17 GLU HA 18 ASN HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 293, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 17 GLU HA 19 GLU HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 307, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 17 GLU HB2 18 ASN HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 GLU HB2 18 ASN HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 293, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 17 GLU HN 17 GLU HB2 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 17 GLU HN 17 GLU QG 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 285, 286,
 &end
#
# 17 GLU HN 18 ASN HA 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 295, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 17 GLU HN 18 ASN HB3 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 298, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 17 GLU HN 18 ASN HB2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 17 GLU HN 18 ASN HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 293, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 17 GLU HN 19 GLU HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 307, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 18 ASN HB3 19 GLU HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 307, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 18 ASN HB2 19 GLU HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 307, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 18 ASN HN 18 ASN HB3 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 298, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 18 ASN HN 18 ASN HB2 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 297, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 18 ASN HN 18 ASN HND2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 18 ASN HN 18 ASN HND1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ASN HN 19 GLU HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 309, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 18 ASN HN 19 GLU HB2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 311, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 18 ASN HN 19 GLU HG2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 314, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 18 ASN HN 25 TYR HE 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 426, 431,
 &end
#
# 19 GLU HA 21 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 GLU HB3 20 ASP HN 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 322, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 19 GLU HN 19 GLU HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 19 GLU HN 19 GLU HG3 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 19 GLU HN 19 GLU HG2 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 19 GLU HN 20 ASP HA 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 19 GLU HN 20 ASP HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 322, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 19 GLU HN 21 LYS QG 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 341, 342,
 &end
#
# 19 GLU HN 21 LYS HN 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 334, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 19 GLU HN 25 TYR HE 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 426, 431,
 &end
#
# 20 ASP HA 21 LYS HN 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 20 ASP HA 22 ARG HN 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 356, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 20 ASP HA 23 LYS HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 380, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 20 ASP HB3 21 LYS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 334, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 20 ASP HB3 23 LYS HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 380, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 20 ASP HB2 21 LYS HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 334, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 20 ASP HB2 22 ARG HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 356, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 20 ASP HB2 23 LYS HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 380, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 20 ASP HN 20 ASP HB3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 20 ASP HN 20 ASP HB2 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 326, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 20 ASP HN 21 LYS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 334, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 20 ASP HN 23 LYS HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 380, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 20 ASP HN 25 TYR HE 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 426, 431,
 &end
#
# 21 LYS HA 22 ARG HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LYS HA 23 LYS HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 380, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 21 LYS HA 62 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 336,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 LYS HB2 22 ARG HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 356, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 21 LYS HN 21 LYS HB3 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 21 LYS HN 21 LYS HB2 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 21 LYS HN 21 LYS QD 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 344, 345,
 &end
#
# 21 LYS HN 21 LYS QG 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 341, 342,
 &end
#
# 21 LYS HN 22 ARG QG 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 363, 364,
 &end
#
# 21 LYS HN 22 ARG HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 356, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 21 LYS HN 23 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 380, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 22 ARG HA 22 ARG QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 366, 367,
 &end
#
# 22 ARG HA 23 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 387, 388,
 &end
#
# 22 ARG HA 23 LYS HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 380, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 22 ARG HA 62 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 358,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 ARG QD 23 LYS QG 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 366, 367,
 igr2= 387, 388,
 &end
#
# 22 ARG QD 23 LYS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 366, 367,
 &end
#
# 22 ARG HN 22 ARG QD 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 366, 367,
 &end
#
# 22 ARG HN 22 ARG QG 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 363, 364,
 &end
#
# 22 ARG HN 23 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 393, 394,
 &end
#
# 22 ARG HN 23 LYS HN 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 380, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 22 ARG HN 24 PRO HD3 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 404, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 22 ARG HN 62 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 LYS HA 24 PRO HD3 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 404, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 23 LYS QG 62 ARG HG3 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 387, 388,
 &end
#
# 23 LYS HN 23 LYS HB2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 23 LYS HN 23 LYS QE 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 393, 394,
 &end
#
# 23 LYS HN 23 LYS QG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 387, 388,
 &end
#
# 23 LYS HN 24 PRO HB3 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 410, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 23 LYS HN 24 PRO HD3 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 404, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 23 LYS HN 24 PRO HD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 403, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 23 LYS HN 24 PRO HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PRO HA 25 TYR HN 2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 24 PRO HA 62 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PRO HB3 25 TYR HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 416, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 24 PRO HB2 25 TYR HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 416, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 24 PRO HD3 62 ARG HD3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1049, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 24 PRO HD3 62 ARG HG3 2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1046, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 24 PRO HD3 62 ARG HG2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1045, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 24 PRO HD3 62 ARG HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 404,1038, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 24 PRO HG3 61 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PRO HG3 62 ARG HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PRO HG3 62 ARG HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1038, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 24 PRO HG3 63 ILE HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 407,1062, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 25 TYR HA 26 SER HN 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 437, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 25 TYR HA 29 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 481, 482,
 &end
#
# 25 TYR HA 30 ILE HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 492, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 25 TYR HB3 26 SER HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 437, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 25 TYR HB3 29 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 481, 482,
 &end
#
# 25 TYR HB3 29 GLU HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 477, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 25 TYR HB3 30 ILE HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 492, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 25 TYR HB2 30 ILE HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 492, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 25 TYR HB2 33 ILE QD1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 548, 549, 550,
 &end
#
# 25 TYR HD 26 SER HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 424, 433,
 &end
#
# 25 TYR HD 29 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 424, 433,
 igr2= 481, 482,
 &end
#
# 25 TYR HD 30 ILE HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 424, 433,
 &end
#
# 25 TYR HD 33 ILE QD1 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 424, 433,
 igr2= 548, 549, 550,
 &end
#
# 25 TYR HD 33 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 424, 433,
 &end
#
# 25 TYR HE 33 ILE QD1 2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 426, 431,
 igr2= 548, 549, 550,
 &end
#
# 25 TYR HN 25 TYR HB3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 421, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 25 TYR HN 25 TYR HD 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 424, 433,
 &end
#
# 25 TYR HN 26 SER HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 437, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 26 SER HA 29 GLU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 477, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 26 SER QB 27 ASP HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 441, 442,
 &end
#
# 26 SER QB 28 GLN HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 441, 442,
 &end
#
# 26 SER QB 29 GLU HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 441, 442,
 &end
#
# 26 SER HN 26 SER QB 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 441, 442,
 &end
#
# 26 SER HN 27 ASP HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 448, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 26 SER HN 29 GLU HA 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 479, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 26 SER HN 29 GLU HB2 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 481, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 26 SER HN 29 GLU HB3 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 482, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 26 SER HN 29 GLU HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 477, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 26 SER HN 30 ILE HG12 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 502, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 26 SER HN 30 ILE HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 492, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 26 SER HN 31 ALA HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 ASP HA 30 ILE HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 492, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 27 ASP HA 31 ALA HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 511, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 27 ASP HA 47 ALA HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 ASP QB 28 GLN HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 452, 453,
 &end
#
# 27 ASP QB 47 ALA QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 452, 453,
 igr2= 789, 790, 791,
 &end
#
# 27 ASP HB2 47 ALA HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 785, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 27 ASP HB3 47 ALA HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 785, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 27 ASP HN 27 ASP QB 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 452, 453,
 &end
#
# 27 ASP HN 28 GLN QB 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 464, 465,
 &end
#
# 27 ASP HN 28 GLN HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 460, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 27 ASP HN 29 GLU HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 477, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 27 ASP HN 43 ARG HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 ASP HN 46 VAL QG1 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 775, 776, 777,
 &end
#
# 28 GLN HA 30 ILE HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 28 GLN HB2 28 GLN HNE2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 473, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 28 GLN HB3 28 GLN HNE2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 473, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 28 GLN QB 29 GLU HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 464, 465,
 &end
#
# 28 GLN HNE2 29 GLU HA 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 479, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 28 GLN HNE2 29 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 481, 482,
 &end
#
# 28 GLN HNE2 30 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 GLN HNE2 31 ALA QB 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 515, 516, 517,
 &end
#
# 28 GLN HNE2 31 ALA HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 511, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 28 GLN HNE2 32 ASN HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 523, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 28 GLN HNE2 32 ASN HB3 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 526, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 28 GLN HNE2 32 ASN HB2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 525, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 28 GLN HNE2 32 ASN HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 521, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 28 GLN HNE2 33 ILE HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 535, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 28 GLN HNE1 31 ALA HN 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 511, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 28 GLN HNE1 32 ASN HB2 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 525, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 28 GLN HG3 29 GLU HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 477, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 28 GLN HN 28 GLN HB2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 28 GLN HN 28 GLN HB3 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 465, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 28 GLN HN 28 GLN HG3 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 468, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 28 GLN HN 29 GLU HA 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 479, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 28 GLN HN 29 GLU HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 477, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 28 GLN HN 31 ALA HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 28 GLN HN 43 ARG HG3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 715, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 28 GLN HN 43 ARG HG2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 460, 714, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 29 GLU HA 31 ALA HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 511, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 29 GLU HA 32 ASN HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 GLU HA 32 ASN HB2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 525, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 29 GLU HA 32 ASN HN 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 521, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 29 GLU HA 33 ILE QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 548, 549, 550,
 &end
#
# 29 GLU HA 33 ILE HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 535, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 29 GLU QB 31 ALA HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 481, 482,
 &end
#
# 29 GLU HN 29 GLU HB2 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 481, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 29 GLU HN 29 GLU HB3 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 482, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 29 GLU HN 29 GLU QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 484, 485,
 &end
#
# 29 GLU HN 30 ILE HG12 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 502, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29 GLU HN 30 ILE HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 492, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 29 GLU HN 31 ALA QB 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 515, 516, 517,
 &end
#
# 29 GLU HN 31 ALA HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 511, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 29 GLU HN 32 ASN HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 GLU HN 32 ASN HN 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 521, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 29 GLU HN 46 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
# 30 ILE HA 32 ASN HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 521, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 ILE HA 33 ILE QD1 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 548, 549, 550,
 &end
#
# 30 ILE HA 33 ILE HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 535, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 30 ILE HA 34 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 563, 564, 565,
 &end
#
# 30 ILE HA 34 LEU QD2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 567, 568, 569,
 &end
#
# 30 ILE HA 34 LEU HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 554, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 30 ILE HB 31 ALA HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 511, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 30 ILE HB 34 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 563, 564, 565,
 &end
#
# 30 ILE HB 46 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
# 30 ILE HG12 31 ALA HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 511, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 30 ILE HG12 32 ASN HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 521, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 30 ILE HN 30 ILE HB 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 496, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 30 ILE HN 30 ILE HG12 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 502, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 30 ILE HN 31 ALA QB 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 515, 516, 517,
 &end
#
# 30 ILE HN 31 ALA HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 511, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 30 ILE HN 33 ILE QD1 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 548, 549, 550,
 &end
#
# 30 ILE HN 46 VAL QG1 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 775, 776, 777,
 &end
#
# 31 ALA HA 33 ILE HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 535, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 31 ALA HA 34 LEU QD2 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 567, 568, 569,
 &end
#
# 31 ALA HA 41 VAL QG1 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 687, 688, 689,
 &end
#
# 31 ALA HA 41 VAL HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 681, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 31 ALA QB 32 ASN HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 515, 516, 517,
 &end
#
# 31 ALA QB 42 ALA HN 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 515, 516, 517,
 &end
#
# 31 ALA QB 43 ARG HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 515, 516, 517,
 &end
#
# 31 ALA QB 46 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 515, 516, 517,
 &end
#
# 31 ALA QB 46 VAL HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 515, 516, 517,
 &end
#
# 31 ALA HN 31 ALA QB 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 515, 516, 517,
 &end
#
# 31 ALA HN 32 ASN HB3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 31 ALA HN 32 ASN HB2 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 525, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 31 ALA HN 32 ASN HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 521, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 31 ALA HN 33 ILE QD1 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 548, 549, 550,
 &end
#
# 31 ALA HN 33 ILE HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 535, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 31 ALA HN 34 LEU QD2 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 567, 568, 569,
 &end
#
# 31 ALA HN 34 LEU HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 554, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 31 ALA HN 43 ARG HA 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 709, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 31 ALA HN 46 VAL HB 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 773, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 31 ALA HN 46 VAL QG1 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 775, 776, 777,
 &end
#
# 32 ASN HA 32 ASN HB2 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 525, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 32 ASN HA 34 LEU HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 554, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 32 ASN HA 35 LYS HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 573, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 32 ASN HB3 33 ILE HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 535, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 32 ASN HB3 34 LEU HN 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 554, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 32 ASN HB2 33 ILE HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 32 ASN HN 32 ASN HB3 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 32 ASN HN 32 ASN HB2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 32 ASN HN 32 ASN HND2 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 531, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 32 ASN HN 33 ILE QD1 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 548, 549, 550,
 &end
#
# 32 ASN HN 33 ILE HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 32 ASN HN 34 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 563, 564, 565,
 &end
#
# 32 ASN HN 34 LEU QD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 567, 568, 569,
 &end
#
# 32 ASN HN 46 VAL QG1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 775, 776, 777,
 &end
#
# 33 ILE HA 33 ILE HG13 2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 546, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 33 ILE HA 33 ILE HG12 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 545, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 33 ILE HA 36 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 599, 600,
 &end
#
# 33 ILE HA 36 GLU HG3 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 603, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 33 ILE HA 36 GLU HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 595, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 33 ILE HB 33 ILE QD1 2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr2= 548, 549, 550,
 &end
#
# 33 ILE QD1 34 LEU QD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 548, 549, 550,
 igr2= 567, 568, 569,
 &end
#
# 33 ILE QD1 34 LEU HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 548, 549, 550,
 &end
#
# 33 ILE QD1 35 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 548, 549, 550,
 &end
#
# 33 ILE HG13 34 LEU HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 554, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 33 ILE QG2 34 LEU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 34 LEU HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 554, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 36 GLU QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 541, 542, 543,
 igr2= 599, 600,
 &end
#
# 33 ILE QG2 36 GLU HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 36 GLU HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 37 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 541, 542, 543,
 igr2= 614, 615,
 &end
#
# 33 ILE QG2 37 LYS HE2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 37 LYS HE3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 37 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 541, 542, 543,
 igr2= 617, 618,
 &end
#
# 33 ILE QG2 37 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 541, 542, 543,
 &end
#
# 33 ILE QG2 39 PHE HD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 541, 542, 543,
 igr2= 647, 655,
 &end
#
# 33 ILE HN 33 ILE HB 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 33 ILE HN 33 ILE QD1 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 548, 549, 550,
 &end
#
# 33 ILE HN 33 ILE HG13 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 546, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 33 ILE HN 33 ILE HG12 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 545, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 33 ILE HN 34 LEU QD1 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 563, 564, 565,
 &end
#
# 33 ILE HN 34 LEU HN 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 554, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 33 ILE HN 35 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 ILE HN 36 GLU HG3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 603, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 33 ILE HN 36 GLU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 LEU HA 36 GLU HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 595, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 34 LEU HA 37 LYS HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 610, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 34 LEU HA 41 VAL HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 LEU HB3 34 LEU QD2 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 567, 568, 569,
 &end
#
# 34 LEU HB3 38 GLY HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 632, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 34 LEU HB3 39 PHE HB3 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 644, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 34 LEU HB3 39 PHE HB2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 643, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 34 LEU HB3 39 PHE HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 639, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 34 LEU HB2 34 LEU QD2 2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 567, 568, 569,
 &end
#
# 34 LEU HB2 41 VAL QG1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 687, 688, 689,
 &end
#
# 34 LEU QD1 36 GLU HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 563, 564, 565,
 &end
#
# 34 LEU QD1 37 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 563, 564, 565,
 igr2= 623, 624,
 &end
#
# 34 LEU QD1 37 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 563, 564, 565,
 igr2= 617, 618,
 &end
#
# 34 LEU QD1 38 GLY HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 563, 564, 565,
 &end
#
# 34 LEU QD1 39 PHE HB2 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 563, 564, 565,
 &end
#
# 34 LEU QD2 39 PHE HB3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 567, 568, 569,
 &end
#
# 34 LEU QD2 39 PHE HB2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 567, 568, 569,
 &end
#
# 34 LEU QD2 41 VAL QG1 2.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 567, 568, 569,
 igr2= 687, 688, 689,
 &end
#
# 34 LEU QD2 46 VAL HB 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 567, 568, 569,
 &end
#
# 34 LEU QD2 46 VAL QG2 2.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 567, 568, 569,
 igr2= 779, 780, 781,
 &end
#
# 34 LEU HN 34 LEU HB3 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 559, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 34 LEU HN 34 LEU HB2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 558, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 34 LEU HN 34 LEU QD1 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 563, 564, 565,
 &end
#
# 34 LEU HN 35 LYS HA 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 575, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 34 LEU HN 35 LYS HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 573, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 34 LEU HN 36 GLU HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 595, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 34 LEU HN 37 LYS QE 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 623, 624,
 &end
#
# 34 LEU HN 37 LYS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 LEU HN 39 PHE HB2 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 643, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 34 LEU HN 39 PHE HD 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 647, 655,
 &end
#
# 35 LYS HA 37 LYS HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 610, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 35 LYS HA 38 GLY HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 632, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 35 LYS HA 39 PHE HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 639, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 35 LYS HA 40 LYS HN 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 659, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 35 LYS HB3 40 LYS HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 659, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 35 LYS HB3 41 VAL HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 681, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 35 LYS HG3 36 GLU HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 595, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 35 LYS HG2 36 GLU HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 35 LYS HG2 37 LYS HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 35 LYS HN 35 LYS HB3 2.58
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 578, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
# 35 LYS HN 35 LYS QD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 583, 584,
 &end
#
# 35 LYS HN 35 LYS HG3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 581, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 35 LYS HN 35 LYS HG2 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 580, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 35 LYS HN 36 GLU HG3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 603, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 35 LYS HN 36 GLU HN 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 35 LYS HN 37 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 35 LYS HN 38 GLY HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 632, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 36 GLU HA 37 LYS HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 610, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 36 GLU HG3 37 LYS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 610, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 36 GLU HN 36 GLU HG3 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 603, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 36 GLU HN 37 LYS HE2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 623, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 36 GLU HN 37 LYS HE3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 624, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 36 GLU HN 37 LYS HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 36 GLU HN 38 GLY HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 632, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 36 GLU HN 39 PHE HD 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 647, 655,
 &end
#
# 37 LYS QE 38 GLY HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 623, 624,
 &end
#
# 37 LYS HG2 38 GLY HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 632, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 37 LYS HG3 38 GLY HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 632, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 37 LYS HN 37 LYS HE2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 623, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 37 LYS HN 37 LYS HE3 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 624, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 37 LYS HN 37 LYS HG2 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 37 LYS HN 37 LYS HG3 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 618, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 37 LYS HN 38 GLY QA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 634, 635,
 &end
#
# 37 LYS HN 39 PHE HD 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 647, 655,
 &end
#
# 37 LYS HN 39 PHE HE 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 649, 653,
 &end
#
# 37 LYS HN 39 PHE HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 639, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38 GLY QA 39 PHE HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 634, 635,
 &end
#
# 38 GLY HN 39 PHE HA 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 641, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 38 GLY HN 39 PHE HB3 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 644, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 38 GLY HN 39 PHE HB2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 643, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 38 GLY HN 39 PHE HD 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 647, 655,
 &end
#
# 38 GLY HN 39 PHE HE 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 649, 653,
 &end
#
# 38 GLY HN 39 PHE HN 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 639, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 38 GLY HN 40 LYS HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 659, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 39 PHE HA 41 VAL HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 681, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 39 PHE HB3 40 LYS HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 644, 659, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 39 PHE HB3 41 VAL QG1 2.66
 &rst
  ixpk= 0, nxpk= 0, iat= 644,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2= 687, 688, 689,
 &end
#
# 39 PHE HB2 40 LYS HN 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 659, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 39 PHE HB2 41 VAL QG1 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 687, 688, 689,
 &end
#
# 39 PHE HD 40 LYS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 647, 655,
 &end
#
# 39 PHE HD 41 VAL HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 647, 655,
 &end
#
# 39 PHE HN 39 PHE HB3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 39 PHE HN 39 PHE HB2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 643, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 39 PHE HN 39 PHE HD 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 647, 655,
 &end
#
# 39 PHE HN 39 PHE HE 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 649, 653,
 &end
#
# 39 PHE HN 40 LYS HB3 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 664, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 39 PHE HN 40 LYS HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 659, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 39 PHE HN 41 VAL QG1 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 687, 688, 689,
 &end
#
# 39 PHE HN 41 VAL HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 681, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 40 LYS HA 41 VAL HN 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 681, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 40 LYS HE3 41 VAL HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 673, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 LYS HN 40 LYS HB3 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 664, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 40 LYS HN 40 LYS HE3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 LYS HN 40 LYS HG2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 666, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 40 LYS HN 40 LYS HG3 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 667, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 40 LYS HN 41 VAL QG1 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 687, 688, 689,
 &end
#
# 40 LYS HN 41 VAL HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 681, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 41 VAL HA 41 VAL QG2 2.55
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2= 691, 692, 693,
 &end
#
# 41 VAL HA 42 ALA HN 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 697, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 41 VAL HB 42 ALA HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 697, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 41 VAL HB 45 THR QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 761, 762, 763,
 &end
#
# 41 VAL QG2 42 ALA HN 2.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 43 ARG HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 44 ARG HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 45 THR HB 2.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 45 THR QG 2.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 691, 692, 693,
 igr2= 761, 762, 763,
 &end
#
# 41 VAL QG2 45 THR HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 46 VAL HA 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 46 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL QG2 46 VAL HN 2.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 691, 692, 693,
 &end
#
# 41 VAL HN 41 VAL HB 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 685, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 41 VAL HN 41 VAL QG1 2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 687, 688, 689,
 &end
#
# 41 VAL HN 42 ALA HA 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 699, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 41 VAL HN 42 ALA HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 697, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 42 ALA HA 43 ARG HN 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 707, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 42 ALA HA 44 ARG HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 731, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 42 ALA QB 43 ARG HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 701, 702, 703,
 &end
#
# 42 ALA QB 44 ARG HN 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 701, 702, 703,
 &end
#
# 42 ALA QB 45 THR QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 701, 702, 703,
 igr2= 761, 762, 763,
 &end
#
# 42 ALA QB 45 THR HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 701, 702, 703,
 &end
#
# 42 ALA QB 46 VAL HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 701, 702, 703,
 &end
#
# 42 ALA HN 42 ALA QB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 701, 702, 703,
 &end
#
# 42 ALA HN 43 ARG HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 707, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 42 ALA HN 45 THR QG 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 761, 762, 763,
 &end
#
# 42 ALA HN 45 THR HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 755, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 42 ALA HN 46 VAL HB 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 773, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 42 ALA HN 46 VAL HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 769, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 43 ARG HA 45 THR HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 755, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 43 ARG HA 46 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ARG HA 46 VAL HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 769, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 43 ARG HA 47 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 789, 790, 791,
 &end
#
# 43 ARG HA 47 ALA HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 785, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 43 ARG HB3 44 ARG HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 731, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 43 ARG HB2 46 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ARG HG3 47 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 789, 790, 791,
 &end
#
# 43 ARG HG2 47 ALA HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 785, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 43 ARG HN 43 ARG HB3 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 712, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 43 ARG HN 43 ARG HB2 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 711, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 43 ARG HN 44 ARG HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 731, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 43 ARG HN 45 THR HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 755, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 43 ARG HN 46 VAL HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 ARG HN 46 VAL HN 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 769, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 44 ARG HB2 45 THR HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 755, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 44 ARG HB3 45 THR HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 755, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 44 ARG HN 44 ARG HB2 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 735, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 44 ARG HN 44 ARG HB3 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 736, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 44 ARG HN 45 THR HA 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 757, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 44 ARG HN 45 THR QG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 761, 762, 763,
 &end
#
# 44 ARG HN 45 THR HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 755, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 44 ARG HN 46 VAL HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 769, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 44 ARG HN 47 ALA QB 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 789, 790, 791,
 &end
#
# 44 ARG HN 47 ALA HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 785, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 45 THR HA 47 ALA HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 785, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 45 THR HA 48 LYS HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 795, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 45 THR HB 46 VAL HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 769, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 45 THR HB 47 ALA HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 785, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 45 THR QG2 46 VAL HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 761, 762, 763,
 &end
#
# 45 THR QG2 46 VAL HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 761, 762, 763,
 &end
#
# 45 THR QG2 47 ALA HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 761, 762, 763,
 &end
#
# 45 THR QG2 48 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 761, 762, 763,
 &end
#
# 45 THR QG2 48 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 761, 762, 763,
 igr2= 808, 809,
 &end
#
# 45 THR QG2 48 LYS HN 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 761, 762, 763,
 &end
#
# 45 THR QG2 49 TYR HD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 761, 762, 763,
 igr2= 825, 834,
 &end
#
# 45 THR QG2 49 TYR HE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 761, 762, 763,
 igr2= 827, 832,
 &end
#
# 45 THR QG2 49 TYR HN 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 761, 762, 763,
 &end
#
# 45 THR HN 45 THR HB 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 45 THR HN 45 THR QG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 761, 762, 763,
 &end
#
# 45 THR HN 46 VAL HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 771, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 45 THR HN 46 VAL HB 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 773, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 45 THR HN 46 VAL QG1 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 775, 776, 777,
 &end
#
# 45 THR HN 46 VAL HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 769, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 45 THR HN 47 ALA QB 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 789, 790, 791,
 &end
#
# 45 THR HN 47 ALA HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 785, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 45 THR HN 48 LYS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 795, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 46 VAL HA 48 LYS HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 795, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 46 VAL HA 49 TYR HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 VAL HA 49 TYR HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 817, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 46 VAL HA 50 ARG HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 838, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 46 VAL HB 47 ALA HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 785, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 46 VAL QG1 47 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 775, 776, 777,
 igr2= 789, 790, 791,
 &end
#
# 46 VAL QG1 47 ALA HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 775, 776, 777,
 &end
#
# 46 VAL QG1 48 LYS HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 775, 776, 777,
 &end
#
# 46 VAL QG2 47 ALA QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 779, 780, 781,
 igr2= 789, 790, 791,
 &end
#
# 46 VAL QG2 49 TYR HB2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 821, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 779, 780, 781,
 &end
#
# 46 VAL HN 46 VAL HB 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 773, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 46 VAL HN 46 VAL QG1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
# 46 VAL HN 47 ALA HA 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 787, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 46 VAL HN 47 ALA QB 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 789, 790, 791,
 &end
#
# 46 VAL HN 47 ALA HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 785, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 46 VAL HN 48 LYS HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 46 VAL HN 49 TYR HN 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 817, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 47 ALA HA 49 TYR HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 817, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 47 ALA QB 48 LYS QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 789, 790, 791,
 igr2= 808, 809,
 &end
#
# 47 ALA QB 48 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 789, 790, 791,
 igr2= 802, 803,
 &end
#
# 47 ALA QB 48 LYS HN 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 789, 790, 791,
 &end
#
# 47 ALA QB 49 TYR HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 789, 790, 791,
 &end
#
# 47 ALA QB 50 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 789, 790, 791,
 &end
#
# 47 ALA HN 47 ALA QB 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 789, 790, 791,
 &end
#
# 47 ALA HN 48 LYS HA 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 797, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 47 ALA HN 48 LYS HB2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 799, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 47 ALA HN 48 LYS HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 795, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 47 ALA HN 49 TYR HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 817, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 47 ALA HN 50 ARG HN 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 838, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
# 48 LYS HA 51 GLU HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 862, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 48 LYS HB3 49 TYR HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 817, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 48 LYS HB2 49 TYR HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 817, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 48 LYS HN 48 LYS HB3 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 800, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 48 LYS HN 48 LYS HB2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 48 LYS HN 48 LYS QE 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 808, 809,
 &end
#
# 48 LYS HN 48 LYS QG 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 802, 803,
 &end
#
# 48 LYS HN 49 TYR HB2 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 821, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 48 LYS HN 49 TYR HD 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 825, 834,
 &end
#
# 48 LYS HN 49 TYR HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 817, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 48 LYS HN 50 ARG HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 838, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 49 TYR HA 52 MET HG3 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 885, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 49 TYR HA 52 MET HG2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 884, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 49 TYR HA 52 MET HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 877, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 49 TYR HB3 50 ARG HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 49 TYR HB3 53 LEU QD1 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 903, 904, 905,
 &end
#
# 49 TYR HB2 50 ARG HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 TYR HB2 50 ARG HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 838, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 49 TYR HB2 53 LEU QD1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 903, 904, 905,
 &end
#
# 49 TYR HD 50 ARG HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 825, 834,
 &end
#
# 49 TYR HD 51 GLU HN 5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 825, 834,
 &end
#
# 49 TYR HD 52 MET HN 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 825, 834,
 &end
#
# 49 TYR HD 53 LEU QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 825, 834,
 igr2= 903, 904, 905,
 &end
#
# 49 TYR HE 53 LEU QD1 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 827, 832,
 igr2= 903, 904, 905,
 &end
#
# 49 TYR HN 49 TYR HB3 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 822, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 49 TYR HN 49 TYR HB2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 49 TYR HN 49 TYR HD 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 825, 834,
 &end
#
# 49 TYR HN 50 ARG HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 TYR HN 50 ARG QG 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 845, 846,
 &end
#
# 49 TYR HN 50 ARG HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 838, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 49 TYR HN 51 GLU HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 862, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 49 TYR HN 52 MET HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50 ARG HA 52 MET HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 877, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 50 ARG HA 53 LEU QD1 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 903, 904, 905,
 &end
#
# 50 ARG HA 53 LEU HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 894, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 50 ARG HB3 51 GLU HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 862, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 50 ARG HB2 51 GLU HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 862, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 50 ARG QG 51 GLU HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 845, 846,
 &end
#
# 50 ARG HN 50 ARG HB3 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 843, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 50 ARG HN 50 ARG HG2 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 50 ARG HN 50 ARG HG3 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 846, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 50 ARG HN 51 GLU HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 862, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 50 ARG HN 52 MET HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 50 ARG HN 53 LEU QD1 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 903, 904, 905,
 &end
#
# 51 GLU HA 52 MET HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 877, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 51 GLU HN 52 MET HN 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 877, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 51 GLU HN 53 LEU QD1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 903, 904, 905,
 &end
#
# 52 MET HA 52 MET HG3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 885, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 52 MET HB3 52 MET HG2 2.72
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 52 MET HG3 53 LEU HG 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 901, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 52 MET HG3 53 LEU HN 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 894, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 52 MET HG2 53 LEU QD1 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 903, 904, 905,
 &end
#
# 52 MET HG2 53 LEU HG 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 901, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 52 MET HG2 53 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 894, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 52 MET HN 52 MET HB3 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 52 MET HN 52 MET HG3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 885, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 52 MET HN 52 MET HG2 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 884, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 52 MET HN 53 LEU QD1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 903, 904, 905,
 &end
#
# 52 MET HN 53 LEU HN 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 894, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 52 MET HN 54 GLY HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 913, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 53 LEU HA 53 LEU QD2 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 907, 908, 909,
 &end
#
# 53 LEU HB3 53 LEU QD2 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 907, 908, 909,
 &end
#
# 53 LEU HB3 54 GLY HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 913, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 53 LEU HB3 55 ILE HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 920, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 53 LEU HB2 53 LEU QD1 2.40
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
 igr2= 903, 904, 905,
 &end
#
# 53 LEU HB2 53 LEU QD2 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 907, 908, 909,
 &end
#
# 53 LEU HB2 54 GLY HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 53 LEU QD1 54 GLY HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 903, 904, 905,
 &end
#
# 53 LEU QD2 54 GLY HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 907, 908, 909,
 &end
#
# 53 LEU HN 53 LEU HB3 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 53 LEU HN 53 LEU HB2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 53 LEU HN 53 LEU QD1 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 903, 904, 905,
 &end
#
# 53 LEU HN 53 LEU HG 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 901, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 53 LEU HN 54 GLY HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 913, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 54 GLY HN 54 GLY HA3 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 916, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 54 GLY HN 54 GLY HA2 2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 915, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 54 GLY HN 55 ILE HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 922, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 54 GLY HN 55 ILE QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 913,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 933, 934, 935,
 &end
#
# 54 GLY HN 55 ILE HN 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 920, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
# 55 ILE HA 56 PRO HD3 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 941, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 55 ILE HA 57 SER HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 953, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 55 ILE HB 56 PRO HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 940, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE QD1 56 PRO HD2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 933, 934, 935,
 &end
#
# 55 ILE HG13 56 PRO HD3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 941, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 55 ILE QG2 55 ILE QD1 2.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 926, 927, 928,
 igr2= 933, 934, 935,
 &end
#
# 55 ILE QG2 56 PRO HD3 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 926, 927, 928,
 &end
#
# 55 ILE QG2 56 PRO HD2 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 926, 927, 928,
 &end
#
# 55 ILE QG2 57 SER HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 926, 927, 928,
 &end
#
# 55 ILE HN 55 ILE HB 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 924, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 55 ILE HN 55 ILE QD1 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 933, 934, 935,
 &end
#
# 55 ILE HN 56 PRO HD2 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 940, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 56 PRO HA 60 GLU HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 949,1007, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 PRO HB3 57 SER HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 953, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 56 PRO HB2 57 SER HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 946, 953, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 56 PRO HB2 58 SER HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 946, 964, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 56 PRO HD2 57 SER HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 56 PRO HD2 57 SER HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 56 PRO QG 57 SER HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 943, 944,
 &end
#
# 56 PRO QG 60 GLU HG3 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 943, 944,
 &end
#
# 57 SER HA 58 SER HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 966, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 SER HA 58 SER HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 57 SER HB3 58 SER HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 964, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 57 SER HB3 59 ARG HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 975, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 57 SER HB3 60 GLU HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 999, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 57 SER HN 57 SER HB3 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 57 SER HN 58 SER HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 57 SER HN 59 ARG HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 975, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 57 SER HN 60 GLU HG3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1007, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 57 SER HN 60 GLU HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 999, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 57 SER HN 61 ARG HG3 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1022, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 57 SER HN 61 ARG HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 953,1014, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 58 SER HA 60 GLU HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 999, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 58 SER HA 61 ARG HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 966,1014, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 58 SER HA 62 ARG HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 966,1038, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 58 SER HN 59 ARG HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 975, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 58 SER HN 60 GLU HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 999, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 58 SER HN 61 ARG QD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1024,1025,
 &end
#
# 58 SER HN 61 ARG HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1014, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 59 ARG HA 62 ARG HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 977,1038, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 59 ARG QD 60 GLU HN 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 985, 986,
 &end
#
# 59 ARG HN 59 ARG QB 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 979, 980,
 &end
#
# 59 ARG HN 59 ARG QD 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 975,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 985, 986,
 &end
#
# 59 ARG HN 60 GLU HA 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1001, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 59 ARG HN 60 GLU HG3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1007, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 59 ARG HN 60 GLU HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 975, 999, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 59 ARG HN 61 ARG HG3 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 975,1022, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 60 GLU HA 61 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 GLU HA 63 ILE HB 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1001,1066, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 60 GLU QB 61 ARG HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1003,1004,
 &end
#
# 60 GLU HG3 61 ARG HN 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1014, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 60 GLU HG3 62 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 GLU HN 60 GLU QB 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1003,1004,
 &end
#
# 60 GLU HN 60 GLU HG3 2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1007, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
# 60 GLU HN 61 ARG QB 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1018,1019,
 &end
#
# 60 GLU HN 61 ARG HG3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1022, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 60 GLU HN 61 ARG HN 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1014, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 60 GLU HN 62 ARG HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 999,1038, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 61 ARG QD 62 ARG HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1024,1025,
 &end
#
# 61 ARG HG3 62 ARG HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1038, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 61 ARG HN 61 ARG HA 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1016, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 61 ARG HN 61 ARG QB 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1018,1019,
 &end
#
# 61 ARG HN 61 ARG HD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1024, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 61 ARG HN 61 ARG HD3 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1025, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 61 ARG HN 61 ARG HG3 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1022, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 61 ARG HN 62 ARG HN 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1038, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 62 ARG HA 62 ARG HG2 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1045, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 62 ARG HB3 63 ILE HN 2.77
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1062, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 62 ARG HD3 63 ILE HB 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1066, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 62 ARG HD3 63 ILE HN 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1062, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 62 ARG HG3 63 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1075,1076,1077,
 &end
#
# 62 ARG HG3 63 ILE HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 ARG HG2 62 ARG HD3 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 62 ARG HG2 63 ILE HA 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1064, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 62 ARG HG2 63 ILE HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1062, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 62 ARG HN 62 ARG HB3 2.59
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09,  &end
#
# 62 ARG HN 62 ARG HD3 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1049, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 62 ARG HN 62 ARG HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 62 ARG HN 62 ARG HG2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1045, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 62 ARG HN 63 ILE HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 63 ILE HA 63 ILE HB 2.70
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 63 ILE HN 63 ILE HB 3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27 ASP O 31 ALA HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 511, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 27 ASP O 31 ALA N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 510, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 26 SER O 30 ILE HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 492, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 26 SER O 30 ILE N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 491, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 29 GLU O 33 ILE HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 535, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 29 GLU O 33 ILE N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 534, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 30 ILE O 34 LEU HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 554, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 30 ILE O 34 LEU N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 553, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 28 GLN O 32 ASN HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 521, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 28 GLN O 32 ASN N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 520, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 42 ALA O 46 VAL HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 769, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 42 ALA O 46 VAL N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 768, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 43 ARG O 47 ALA HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 785, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 43 ARG O 47 ALA N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 784, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 13 LYS O 17 GLU HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 278, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 13 LYS O 17 GLU N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 277, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 8 LEU O 12 ILE HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 187, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 8 LEU O 12 ILE N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 186, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 12 ILE O 16 VAL HN 1.6 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 262, r1= 1.10, r2= 1.60, r3= 2.40, r4= 2.90,  &end
#
# 12 ILE O 16 VAL N 2.5 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 261, r1= 2.00, r2= 2.50, r3= 3.40, r4= 3.90,  &end
#
# 64 DT5 N3 91 DA3 N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1101,1957, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 64 DT5 H3 91 DA3 N1 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1957, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 91 DA3 N6 64 DT5 O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1954,1100, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 91 DA3 Q6 64 DT5 O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1955,1956,
 &end
#
# 65 DT N3 90 DA N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1925, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 65 DT H3 90 DA N1 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1134,1925, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 90 DA N6 65 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1922,1132, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 90 DA Q6 65 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1132, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1923,1924,
 &end
#
# 66 DT N3 89 DA N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1893, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 66 DT H3 89 DA N1 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1893, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 89 DA N6 66 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1164, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 89 DA Q6 66 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1164, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1891,1892,
 &end
#
# 67 DT N3 88 DA N1 2.52 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1861, r1= 2.02, r2= 2.52, r3= 3.32, r4= 3.82,  &end
#
# 67 DT H3 88 DA N1 1.41 2.21
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1861, r1= 0.91, r2= 1.41, r3= 2.21, r4= 2.71,  &end
#
# 88 DA N6 67 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1858,1196, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 88 DA Q6 67 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1196, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1859,1860,
 &end
#
# 68 DG N1 87 DC N3 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1831, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 68 DG H1 87 DC N3 1.56 2.16
 &rst
  ixpk= 0, nxpk= 0, iat=1227,1831, r1= 1.06, r2= 1.56, r3= 2.16, r4= 2.66,  &end
#
# 68 DG O6 87 DC N4 2.51 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1828, r1= 2.01, r2= 2.51, r3= 3.31, r4= 3.81,  &end
#
# 68 DG O6 87 DC Q4 1.51 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=1225,  -1, r1= 1.01, r2= 1.51, r3= 2.59, r4= 3.09,
 igr2=1829,1830,
 &end
#
# 68 DG N2 87 DC O2 2.46 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1833, r1= 1.96, r2= 2.46, r3= 3.26, r4= 3.76,  &end
#
# 68 DG Q2 87 DC O2 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1833, r1= 0.96, r2= 1.46, r3= 2.54, r4= 3.04,
 igr1=1231,1230,
 &end
#
# 69 DG N1 86 DC N3 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1259,1801, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 69 DG H1 86 DC N3 1.56 2.16
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1801, r1= 1.06, r2= 1.56, r3= 2.16, r4= 2.66,  &end
#
# 69 DG O6 86 DC N4 2.51 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1798, r1= 2.01, r2= 2.51, r3= 3.31, r4= 3.81,  &end
#
# 69 DG O6 86 DC Q4 1.51 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=1258,  -1, r1= 1.01, r2= 1.51, r3= 2.59, r4= 3.09,
 igr2=1799,1800,
 &end
#
# 69 DG N2 86 DC O2 2.46 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1803, r1= 1.96, r2= 2.46, r3= 3.26, r4= 3.76,  &end
#
# 69 DG Q2 86 DC O2 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1803, r1= 0.96, r2= 1.46, r3= 2.54, r4= 3.04,
 igr1=1264,1263,
 &end
#
# 70 DC N3 85 DG N1 2.52 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1766, r1= 2.02, r2= 2.52, r3= 3.32, r4= 3.82,  &end
#
# 70 DC N3 85 DG H1 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1767, r1= 0.96, r2= 1.46, r3= 2.26, r4= 2.76,  &end
#
# 85 DG O6 70 DC N4 2.51 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1765,1291, r1= 2.01, r2= 2.51, r3= 3.31, r4= 3.81,  &end
#
# 85 DG O6 70 DC Q4 1.51 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=1765,  -1, r1= 1.01, r2= 1.51, r3= 2.59, r4= 3.09,
 igr2=1292,1293,
 &end
#
# 85 DG N2 70 DC O2 2.46 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1296, r1= 1.96, r2= 2.46, r3= 3.26, r4= 3.76,  &end
#
# 85 DG Q2 70 DC O2 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1296, r1= 0.96, r2= 1.46, r3= 2.54, r4= 3.04,
 igr1=1771,1770,
 &end
#
# 71 DA N1 84 DT N3 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1737, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 71 DA N1 84 DT H3 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1738, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 71 DA N6 84 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1736, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 71 DA Q6 84 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1736, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1322,1323,
 &end
#
# 72 DC N3 83 DG N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1701, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 72 DC N3 83 DG H1 1.56 2.16
 &rst
  ixpk= 0, nxpk= 0, iat=1356,1702, r1= 1.06, r2= 1.56, r3= 2.16, r4= 2.66,  &end
#
# 83 DG O6 72 DC N4 2.51 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1353, r1= 2.01, r2= 2.51, r3= 3.31, r4= 3.81,  &end
#
# 83 DG O6 72 DC Q4 1.51 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=1700,  -1, r1= 1.01, r2= 1.51, r3= 2.59, r4= 3.09,
 igr2=1354,1355,
 &end
#
# 83 DG N2 72 DC O2 2.46 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1358, r1= 1.96, r2= 2.46, r3= 3.26, r4= 3.76,  &end
#
# 83 DG Q2 72 DC O2 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 0.96, r2= 1.46, r3= 2.54, r4= 3.04,
 igr1=1706,1705,
 &end
#
# 73 DG N1 82 DC N3 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1673, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 73 DG H1 82 DC N3 1.56 2.16
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1673, r1= 1.06, r2= 1.56, r3= 2.16, r4= 2.66,  &end
#
# 73 DG O6 82 DC N4 2.51 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1670, r1= 2.01, r2= 2.51, r3= 3.31, r4= 3.81,  &end
#
# 73 DG O6 82 DC Q4 1.51 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.01, r2= 1.51, r3= 2.59, r4= 3.09,
 igr2=1671,1672,
 &end
#
# 73 DG N2 82 DC O2 2.46 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1675, r1= 1.96, r2= 2.46, r3= 3.26, r4= 3.76,  &end
#
# 73 DG Q2 82 DC O2 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1675, r1= 0.96, r2= 1.46, r3= 2.54, r4= 3.04,
 igr1=1389,1388,
 &end
#
# 74 DT N3 81 DA N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1641, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 74 DT H3 81 DA N1 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1641, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 81 DA N6 74 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1638,1419, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 81 DA Q6 74 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1419, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1639,1640,
 &end
#
# 75 DT N3 80 DA N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1609, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 75 DT H3 80 DA N1 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1453,1609, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 80 DA N6 75 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1451, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 80 DA Q6 75 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1451, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1607,1608,
 &end
#
# 76 DT N3 79 DA N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1577, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 76 DT H3 79 DA N1 1.51 2.11
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1577, r1= 1.01, r2= 1.51, r3= 2.11, r4= 2.61,  &end
#
# 79 DA N6 76 DT O4 2.55 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1483, r1= 2.05, r2= 2.55, r3= 3.35, r4= 3.85,  &end
#
# 79 DA Q6 76 DT O4 1.55 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1483, r1= 1.05, r2= 1.55, r3= 2.64, r4= 3.14,
 igr1=1575,1576,
 &end
#
# 77 DC3 N3 78 DG5 N1 2.62 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1542, r1= 2.12, r2= 2.62, r3= 3.22, r4= 3.72,  &end
#
# 77 DC3 N3 78 DG5 H1 1.56 2.16
 &rst
  ixpk= 0, nxpk= 0, iat=1515,1543, r1= 1.06, r2= 1.56, r3= 2.16, r4= 2.66,  &end
#
# 78 DG5 O6 77 DC3 N4 2.51 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1541,1512, r1= 2.01, r2= 2.51, r3= 3.31, r4= 3.81,  &end
#
# 78 DG5 O6 77 DC3 Q4 1.51 2.31
 &rst
  ixpk= 0, nxpk= 0, iat=1541,  -1, r1= 1.01, r2= 1.51, r3= 2.59, r4= 3.09,
 igr2=1513,1514,
 &end
#
# 78 DG5 N2 77 DC3 O2 2.46 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1545,1517, r1= 1.96, r2= 2.46, r3= 3.26, r4= 3.76,  &end
#
# 78 DG5 Q2 77 DC3 O2 1.46 2.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1517, r1= 0.96, r2= 1.46, r3= 2.54, r4= 3.04,
 igr1=1547,1546,
 &end
# 1989 atoms read from pdb file CIOlow0805Amb.amb.pdb.
# 65 THY ALPHA:  (64 DT5 O3')-(65 DT P)-(65 DT O5')-(65 DT C5') 240.0 340.0
 &rst     iat =  1110,  1111,  1114,  1115,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
   rk2 =   32.0, rk3 =   32.0,    &end

# 66 THY ALPHA:  (65 DT O3')-(66 DT P)-(66 DT O5')-(66 DT C5') 240.0 340.0
 &rst     iat =  1142,  1143,  1146,  1147,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 67 THY ALPHA:  (66 DT O3')-(67 DT P)-(67 DT O5')-(67 DT C5') 240.0 340.0
 &rst     iat =  1174,  1175,  1178,  1179,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 68 GUA ALPHA:  (67 DT O3')-(68 DG P)-(68 DG O5')-(68 DG C5') 240.0 340.0
 &rst     iat =  1206,  1207,  1210,  1211,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 69 GUA ALPHA:  (68 DG O3')-(69 DG P)-(69 DG O5')-(69 DG C5') 240.0 340.0
 &rst     iat =  1239,  1240,  1243,  1244,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 70 CYT ALPHA:  (69 DG O3')-(70 DC P)-(70 DC O5')-(70 DC C5') 240.0 340.0
 &rst     iat =  1272,  1273,  1276,  1277,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 71 ADE ALPHA:  (70 DC O3')-(71 DA P)-(71 DA O5')-(71 DA C5') 240.0 340.0
 &rst     iat =  1302,  1303,  1306,  1307,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 72 CYT ALPHA:  (71 DA O3')-(72 DC P)-(72 DC O5')-(72 DC C5') 240.0 340.0
 &rst     iat =  1334,  1335,  1338,  1339,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 73 GUA ALPHA:  (72 DC O3')-(73 DG P)-(73 DG O5')-(73 DG C5') 240.0 340.0
 &rst     iat =  1364,  1365,  1368,  1369,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 74 THY ALPHA:  (73 DG O3')-(74 DT P)-(74 DT O5')-(74 DT C5') 240.0 340.0
 &rst     iat =  1397,  1398,  1401,  1402,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 75 THY ALPHA:  (74 DT O3')-(75 DT P)-(75 DT O5')-(75 DT C5') 240.0 340.0
 &rst     iat =  1429,  1430,  1433,  1434,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 76 THY ALPHA:  (75 DT O3')-(76 DT P)-(76 DT O5')-(76 DT C5') 240.0 340.0
 &rst     iat =  1461,  1462,  1465,  1466,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 77 CYT ALPHA:  (76 DT O3')-(77 DC3 P)-(77 DC3 O5')-(77 DC3 C5') 240.0 340.0
 &rst     iat =  1493,  1494,  1497,  1498,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 80 ADE ALPHA:  (79 DA O3')-(80 DA P)-(80 DA O5')-(80 DA C5') 240.0 340.0
 &rst     iat =  1587,  1588,  1591,  1592,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 81 ADE ALPHA:  (80 DA O3')-(81 DA P)-(81 DA O5')-(81 DA C5') 240.0 340.0
 &rst     iat =  1619,  1620,  1623,  1624,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 82 CYT ALPHA:  (81 DA O3')-(82 DC P)-(82 DC O5')-(82 DC C5') 240.0 340.0
 &rst     iat =  1651,  1652,  1655,  1656,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 83 GUA ALPHA:  (82 DC O3')-(83 DG P)-(83 DG O5')-(83 DG C5') 240.0 340.0
 &rst     iat =  1681,  1682,  1685,  1686,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 84 THY ALPHA:  (83 DG O3')-(84 DT P)-(84 DT O5')-(84 DT C5') 240.0 340.0
 &rst     iat =  1714,  1715,  1718,  1719,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 85 GUA ALPHA:  (84 DT O3')-(85 DG P)-(85 DG O5')-(85 DG C5') 240.0 340.0
 &rst     iat =  1746,  1747,  1750,  1751,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 86 CYT ALPHA:  (85 DG O3')-(86 DC P)-(86 DC O5')-(86 DC C5') 240.0 340.0
 &rst     iat =  1779,  1780,  1783,  1784,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 87 CYT ALPHA:  (86 DC O3')-(87 DC P)-(87 DC O5')-(87 DC C5') 240.0 340.0
 &rst     iat =  1809,  1810,  1813,  1814,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 88 ADE ALPHA:  (87 DC O3')-(88 DA P)-(88 DA O5')-(88 DA C5') 240.0 340.0
 &rst     iat =  1839,  1840,  1843,  1844,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 89 ADE ALPHA:  (88 DA O3')-(89 DA P)-(89 DA O5')-(89 DA C5') 240.0 340.0
 &rst     iat =  1871,  1872,  1875,  1876,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 90 ADE ALPHA:  (89 DA O3')-(90 DA P)-(90 DA O5')-(90 DA C5') 240.0 340.0
 &rst     iat =  1903,  1904,  1907,  1908,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 91 ADE ALPHA:  (90 DA O3')-(91 DA3 P)-(91 DA3 O5')-(91 DA3 C5') 240.0 340.0
 &rst     iat =  1935,  1936,  1939,  1940,
   r1 = 239.0, r2 = 240.0, r3 = 340.0, r4 = 341.0,
 &end

# 65 THY BETA:  (65 DT P)-(65 DT O5')-(65 DT C5')-(65 DT C4') 130.0 230.0
 &rst     iat =  1111,  1114,  1115,  1118,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 66 THY BETA:  (66 DT P)-(66 DT O5')-(66 DT C5')-(66 DT C4') 130.0 230.0
 &rst     iat =  1143,  1146,  1147,  1150,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 67 THY BETA:  (67 DT P)-(67 DT O5')-(67 DT C5')-(67 DT C4') 130.0 230.0
 &rst     iat =  1175,  1178,  1179,  1182,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 68 GUA BETA:  (68 DG P)-(68 DG O5')-(68 DG C5')-(68 DG C4') 130.0 230.0
 &rst     iat =  1207,  1210,  1211,  1214,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 69 GUA BETA:  (69 DG P)-(69 DG O5')-(69 DG C5')-(69 DG C4') 130.0 230.0
 &rst     iat =  1240,  1243,  1244,  1247,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 70 CYT BETA:  (70 DC P)-(70 DC O5')-(70 DC C5')-(70 DC C4') 130.0 230.0
 &rst     iat =  1273,  1276,  1277,  1280,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 71 ADE BETA:  (71 DA P)-(71 DA O5')-(71 DA C5')-(71 DA C4') 130.0 230.0
 &rst     iat =  1303,  1306,  1307,  1310,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 72 CYT BETA:  (72 DC P)-(72 DC O5')-(72 DC C5')-(72 DC C4') 130.0 230.0
 &rst     iat =  1335,  1338,  1339,  1342,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 73 GUA BETA:  (73 DG P)-(73 DG O5')-(73 DG C5')-(73 DG C4') 130.0 230.0
 &rst     iat =  1365,  1368,  1369,  1372,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 74 THY BETA:  (74 DT P)-(74 DT O5')-(74 DT C5')-(74 DT C4') 130.0 230.0
 &rst     iat =  1398,  1401,  1402,  1405,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 75 THY BETA:  (75 DT P)-(75 DT O5')-(75 DT C5')-(75 DT C4') 130.0 230.0
 &rst     iat =  1430,  1433,  1434,  1437,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 76 THY BETA:  (76 DT P)-(76 DT O5')-(76 DT C5')-(76 DT C4') 130.0 230.0
 &rst     iat =  1462,  1465,  1466,  1469,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 77 CYT BETA:  (77 DC3 P)-(77 DC3 O5')-(77 DC3 C5')-(77 DC3 C4') 130.0 230.0
 &rst     iat =  1494,  1497,  1498,  1501,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 79 ADE BETA:  (79 DA P)-(79 DA O5')-(79 DA C5')-(79 DA C4') 130.0 230.0
 &rst     iat =  1556,  1559,  1560,  1563,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 80 ADE BETA:  (80 DA P)-(80 DA O5')-(80 DA C5')-(80 DA C4') 130.0 230.0
 &rst     iat =  1588,  1591,  1592,  1595,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 81 ADE BETA:  (81 DA P)-(81 DA O5')-(81 DA C5')-(81 DA C4') 130.0 230.0
 &rst     iat =  1620,  1623,  1624,  1627,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 82 CYT BETA:  (82 DC P)-(82 DC O5')-(82 DC C5')-(82 DC C4') 130.0 230.0
 &rst     iat =  1652,  1655,  1656,  1659,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 83 GUA BETA:  (83 DG P)-(83 DG O5')-(83 DG C5')-(83 DG C4') 130.0 230.0
 &rst     iat =  1682,  1685,  1686,  1689,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 84 THY BETA:  (84 DT P)-(84 DT O5')-(84 DT C5')-(84 DT C4') 130.0 230.0
 &rst     iat =  1715,  1718,  1719,  1722,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 85 GUA BETA:  (85 DG P)-(85 DG O5')-(85 DG C5')-(85 DG C4') 130.0 230.0
 &rst     iat =  1747,  1750,  1751,  1754,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 86 CYT BETA:  (86 DC P)-(86 DC O5')-(86 DC C5')-(86 DC C4') 130.0 230.0
 &rst     iat =  1780,  1783,  1784,  1787,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 87 CYT BETA:  (87 DC P)-(87 DC O5')-(87 DC C5')-(87 DC C4') 130.0 230.0
 &rst     iat =  1810,  1813,  1814,  1817,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 88 ADE BETA:  (88 DA P)-(88 DA O5')-(88 DA C5')-(88 DA C4') 130.0 230.0
 &rst     iat =  1840,  1843,  1844,  1847,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 89 ADE BETA:  (89 DA P)-(89 DA O5')-(89 DA C5')-(89 DA C4') 130.0 230.0
 &rst     iat =  1872,  1875,  1876,  1879,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 90 ADE BETA:  (90 DA P)-(90 DA O5')-(90 DA C5')-(90 DA C4') 130.0 230.0
 &rst     iat =  1904,  1907,  1908,  1911,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 91 ADE BETA:  (91 DA3 P)-(91 DA3 O5')-(91 DA3 C5')-(91 DA3 C4') 130.0 230.0
 &rst     iat =  1936,  1939,  1940,  1943,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 64 THY ZETA:  (64 DT5 C3')-(64 DT5 O3')-(65 DT P)-(65 DT O5') 225.0 325.0
 &rst     iat =  1105,  1110,  1111,  1114,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 65 THY ZETA:  (65 DT C3')-(65 DT O3')-(66 DT P)-(66 DT O5') 225.0 325.0
 &rst     iat =  1137,  1142,  1143,  1146,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 66 THY ZETA:  (66 DT C3')-(66 DT O3')-(67 DT P)-(67 DT O5') 225.0 325.0
 &rst     iat =  1169,  1174,  1175,  1178,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 67 THY ZETA:  (67 DT C3')-(67 DT O3')-(68 DG P)-(68 DG O5') 225.0 325.0
 &rst     iat =  1201,  1206,  1207,  1210,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 68 GUA ZETA:  (68 DG C3')-(68 DG O3')-(69 DG P)-(69 DG O5') 225.0 325.0
 &rst     iat =  1234,  1239,  1240,  1243,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 69 GUA ZETA:  (69 DG C3')-(69 DG O3')-(70 DC P)-(70 DC O5') 225.0 325.0
 &rst     iat =  1267,  1272,  1273,  1276,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 70 CYT ZETA:  (70 DC C3')-(70 DC O3')-(71 DA P)-(71 DA O5') 225.0 325.0
 &rst     iat =  1297,  1302,  1303,  1306,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 71 ADE ZETA:  (71 DA C3')-(71 DA O3')-(72 DC P)-(72 DC O5') 225.0 325.0
 &rst     iat =  1329,  1334,  1335,  1338,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 72 CYT ZETA:  (72 DC C3')-(72 DC O3')-(73 DG P)-(73 DG O5') 225.0 325.0
 &rst     iat =  1359,  1364,  1365,  1368,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 73 GUA ZETA:  (73 DG C3')-(73 DG O3')-(74 DT P)-(74 DT O5') 225.0 325.0
 &rst     iat =  1392,  1397,  1398,  1401,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 74 THY ZETA:  (74 DT C3')-(74 DT O3')-(75 DT P)-(75 DT O5') 225.0 325.0
 &rst     iat =  1424,  1429,  1430,  1433,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 75 THY ZETA:  (75 DT C3')-(75 DT O3')-(76 DT P)-(76 DT O5') 225.0 325.0
 &rst     iat =  1456,  1461,  1462,  1465,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 76 THY ZETA:  (76 DT C3')-(76 DT O3')-(77 DC3 P)-(77 DC3 O5') 225.0 325.0
 &rst     iat =  1488,  1493,  1494,  1497,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 78 GUA ZETA:  (78 DG5 C3')-(78 DG5 O3')-(79 DA P)-(79 DA O5') 225.0 325.0
 &rst     iat =  1550,  1555,  1556,  1559,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 79 ADE ZETA:  (79 DA C3')-(79 DA O3')-(80 DA P)-(80 DA O5') 225.0 325.0
 &rst     iat =  1582,  1587,  1588,  1591,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 80 ADE ZETA:  (80 DA C3')-(80 DA O3')-(81 DA P)-(81 DA O5') 225.0 325.0
 &rst     iat =  1614,  1619,  1620,  1623,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 81 ADE ZETA:  (81 DA C3')-(81 DA O3')-(82 DC P)-(82 DC O5') 225.0 325.0
 &rst     iat =  1646,  1651,  1652,  1655,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 82 CYT ZETA:  (82 DC C3')-(82 DC O3')-(83 DG P)-(83 DG O5') 225.0 325.0
 &rst     iat =  1676,  1681,  1682,  1685,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 83 GUA ZETA:  (83 DG C3')-(83 DG O3')-(84 DT P)-(84 DT O5') 225.0 325.0
 &rst     iat =  1709,  1714,  1715,  1718,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 84 THY ZETA:  (84 DT C3')-(84 DT O3')-(85 DG P)-(85 DG O5') 225.0 325.0
 #&rst     iat =  1741,  1746,  1747,  1750,
#   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
# &end

# 85 GUA ZETA:  (85 DG C3')-(85 DG O3')-(86 DC P)-(86 DC O5') 225.0 325.0
 &rst     iat =  1774,  1779,  1780,  1783,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 86 CYT ZETA:  (86 DC C3')-(86 DC O3')-(87 DC P)-(87 DC O5') 225.0 325.0
 &rst     iat =  1804,  1809,  1810,  1813,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 87 CYT ZETA:  (87 DC C3')-(87 DC O3')-(88 DA P)-(88 DA O5') 225.0 325.0
 &rst     iat =  1834,  1839,  1840,  1843,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 88 ADE ZETA:  (88 DA C3')-(88 DA O3')-(89 DA P)-(89 DA O5') 225.0 325.0
 &rst     iat =  1866,  1871,  1872,  1875,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 89 ADE ZETA:  (89 DA C3')-(89 DA O3')-(90 DA P)-(90 DA O5') 225.0 325.0
 &rst     iat =  1898,  1903,  1904,  1907,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 90 ADE ZETA:  (90 DA C3')-(90 DA O3')-(91 DA3 P)-(91 DA3 O5') 225.0 325.0
 &rst     iat =  1930,  1935,  1936,  1939,
   r1 = 224.0, r2 = 225.0, r3 = 325.0, r4 = 326.0,
 &end

# 64 THY GAMMA:  (64 DT5 O5')-(64 DT5 C5')-(64 DT5 C4')-(64 DT5 C3')  15.0 105.0
 &rst     iat =  1082,  1083,  1086,  1105,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 65 THY GAMMA:  (65 DT O5')-(65 DT C5')-(65 DT C4')-(65 DT C3')  15.0 105.0
 &rst     iat =  1114,  1115,  1118,  1137,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 66 THY GAMMA:  (66 DT O5')-(66 DT C5')-(66 DT C4')-(66 DT C3')  15.0 105.0
 &rst     iat =  1146,  1147,  1150,  1169,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 67 THY GAMMA:  (67 DT O5')-(67 DT C5')-(67 DT C4')-(67 DT C3')  15.0 105.0
 &rst     iat =  1178,  1179,  1182,  1201,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 68 GUA GAMMA:  (68 DG O5')-(68 DG C5')-(68 DG C4')-(68 DG C3')  15.0 105.0
 &rst     iat =  1210,  1211,  1214,  1234,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 69 GUA GAMMA:  (69 DG O5')-(69 DG C5')-(69 DG C4')-(69 DG C3')  15.0 105.0
 &rst     iat =  1243,  1244,  1247,  1267,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 70 CYT GAMMA:  (70 DC O5')-(70 DC C5')-(70 DC C4')-(70 DC C3')  15.0 105.0
 &rst     iat =  1276,  1277,  1280,  1297,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 71 ADE GAMMA:  (71 DA O5')-(71 DA C5')-(71 DA C4')-(71 DA C3')  15.0 105.0
 &rst     iat =  1306,  1307,  1310,  1329,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 72 CYT GAMMA:  (72 DC O5')-(72 DC C5')-(72 DC C4')-(72 DC C3')  15.0 105.0
 &rst     iat =  1338,  1339,  1342,  1359,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 73 GUA GAMMA:  (73 DG O5')-(73 DG C5')-(73 DG C4')-(73 DG C3')  15.0 105.0
 &rst     iat =  1368,  1369,  1372,  1392,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 74 THY GAMMA:  (74 DT O5')-(74 DT C5')-(74 DT C4')-(74 DT C3')  15.0 105.0
 &rst     iat =  1401,  1402,  1405,  1424,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 75 THY GAMMA:  (75 DT O5')-(75 DT C5')-(75 DT C4')-(75 DT C3')  15.0 105.0
 &rst     iat =  1433,  1434,  1437,  1456,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 76 THY GAMMA:  (76 DT O5')-(76 DT C5')-(76 DT C4')-(76 DT C3')  15.0 105.0
 &rst     iat =  1465,  1466,  1469,  1488,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 77 CYT GAMMA:  (77 DC3 O5')-(77 DC3 C5')-(77 DC3 C4')-(77 DC3 C3')  15.0 105.0
 &rst     iat =  1497,  1498,  1501,  1518,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 78 GUA GAMMA:  (78 DG5 O5')-(78 DG5 C5')-(78 DG5 C4')-(78 DG5 C3')  15.0 105.0
 #&rst     iat =  1526,  1527,  1530,  1550,
 #  r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 #&end

# 79 ADE GAMMA:  (79 DA O5')-(79 DA C5')-(79 DA C4')-(79 DA C3')  15.0 105.0
 &rst     iat =  1559,  1560,  1563,  1582,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 80 ADE GAMMA:  (80 DA O5')-(80 DA C5')-(80 DA C4')-(80 DA C3')  15.0 105.0
 &rst     iat =  1591,  1592,  1595,  1614,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 81 ADE GAMMA:  (81 DA O5')-(81 DA C5')-(81 DA C4')-(81 DA C3')  15.0 105.0
 &rst     iat =  1623,  1624,  1627,  1646,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 82 CYT GAMMA:  (82 DC O5')-(82 DC C5')-(82 DC C4')-(82 DC C3')  15.0 105.0
 &rst     iat =  1655,  1656,  1659,  1676,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 83 GUA GAMMA:  (83 DG O5')-(83 DG C5')-(83 DG C4')-(83 DG C3')  15.0 105.0
 &rst     iat =  1685,  1686,  1689,  1709,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 84 THY GAMMA:  (84 DT O5')-(84 DT C5')-(84 DT C4')-(84 DT C3')  15.0 105.0
 &rst     iat =  1718,  1719,  1722,  1741,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 85 GUA GAMMA:  (85 DG O5')-(85 DG C5')-(85 DG C4')-(85 DG C3')  15.0 105.0
 &rst     iat =  1750,  1751,  1754,  1774,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 86 CYT GAMMA:  (86 DC O5')-(86 DC C5')-(86 DC C4')-(86 DC C3')  15.0 105.0
 &rst     iat =  1783,  1784,  1787,  1804,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 87 CYT GAMMA:  (87 DC O5')-(87 DC C5')-(87 DC C4')-(87 DC C3')  15.0 105.0
 &rst     iat =  1813,  1814,  1817,  1834,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 88 ADE GAMMA:  (88 DA O5')-(88 DA C5')-(88 DA C4')-(88 DA C3')  15.0 105.0
 &rst     iat =  1843,  1844,  1847,  1866,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 89 ADE GAMMA:  (89 DA O5')-(89 DA C5')-(89 DA C4')-(89 DA C3')  15.0 105.0
 &rst     iat =  1875,  1876,  1879,  1898,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 90 ADE GAMMA:  (90 DA O5')-(90 DA C5')-(90 DA C4')-(90 DA C3')  15.0 105.0
 &rst     iat =  1907,  1908,  1911,  1930,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 91 ADE GAMMA:  (91 DA3 O5')-(91 DA3 C5')-(91 DA3 C4')-(91 DA3 C3')  15.0 105.0
 &rst     iat =  1939,  1940,  1943,  1962,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 64 THY EPSILON:  (64 DT5 C4')-(64 DT5 C3')-(64 DT5 O3')-(65 DT P) 130.0 230.0
 &rst     iat =  1086,  1105,  1110,  1111,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 65 THY EPSILON:  (65 DT C4')-(65 DT C3')-(65 DT O3')-(66 DT P) 130.0 230.0
 &rst     iat =  1118,  1137,  1142,  1143,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 66 THY EPSILON:  (66 DT C4')-(66 DT C3')-(66 DT O3')-(67 DT P) 130.0 230.0
 &rst     iat =  1150,  1169,  1174,  1175,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 67 THY EPSILON:  (67 DT C4')-(67 DT C3')-(67 DT O3')-(68 DG P) 130.0 230.0
 &rst     iat =  1182,  1201,  1206,  1207,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 68 GUA EPSILON:  (68 DG C4')-(68 DG C3')-(68 DG O3')-(69 DG P) 130.0 230.0
 &rst     iat =  1214,  1234,  1239,  1240,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 69 GUA EPSILON:  (69 DG C4')-(69 DG C3')-(69 DG O3')-(70 DC P) 130.0 230.0
 &rst     iat =  1247,  1267,  1272,  1273,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 70 CYT EPSILON:  (70 DC C4')-(70 DC C3')-(70 DC O3')-(71 DA P) 130.0 230.0
 &rst     iat =  1280,  1297,  1302,  1303,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 71 ADE EPSILON:  (71 DA C4')-(71 DA C3')-(71 DA O3')-(72 DC P) 130.0 230.0
 &rst     iat =  1310,  1329,  1334,  1335,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 72 CYT EPSILON:  (72 DC C4')-(72 DC C3')-(72 DC O3')-(73 DG P) 130.0 230.0
 &rst     iat =  1342,  1359,  1364,  1365,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 73 GUA EPSILON:  (73 DG C4')-(73 DG C3')-(73 DG O3')-(74 DT P) 130.0 230.0
 &rst     iat =  1372,  1392,  1397,  1398,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 74 THY EPSILON:  (74 DT C4')-(74 DT C3')-(74 DT O3')-(75 DT P) 130.0 230.0
 &rst     iat =  1405,  1424,  1429,  1430,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 75 THY EPSILON:  (75 DT C4')-(75 DT C3')-(75 DT O3')-(76 DT P) 130.0 230.0
 &rst     iat =  1437,  1456,  1461,  1462,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 76 THY EPSILON:  (76 DT C4')-(76 DT C3')-(76 DT O3')-(77 DC3 P) 130.0 230.0
 &rst     iat =  1469,  1488,  1493,  1494,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 78 GUA EPSILON:  (78 DG5 C4')-(78 DG5 C3')-(78 DG5 O3')-(79 DA P) 130.0 230.0
 &rst     iat =  1530,  1550,  1555,  1556,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 79 ADE EPSILON:  (79 DA C4')-(79 DA C3')-(79 DA O3')-(80 DA P) 130.0 230.0
 &rst     iat =  1563,  1582,  1587,  1588,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 80 ADE EPSILON:  (80 DA C4')-(80 DA C3')-(80 DA O3')-(81 DA P) 130.0 230.0
 &rst     iat =  1595,  1614,  1619,  1620,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 81 ADE EPSILON:  (81 DA C4')-(81 DA C3')-(81 DA O3')-(82 DC P) 130.0 230.0
 &rst     iat =  1627,  1646,  1651,  1652,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 82 CYT EPSILON:  (82 DC C4')-(82 DC C3')-(82 DC O3')-(83 DG P) 130.0 230.0
 &rst     iat =  1659,  1676,  1681,  1682,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 83 GUA EPSILON:  (83 DG C4')-(83 DG C3')-(83 DG O3')-(84 DT P) 130.0 230.0
 &rst     iat =  1689,  1709,  1714,  1715,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 84 THY EPSILON:  (84 DT C4')-(84 DT C3')-(84 DT O3')-(85 DG P) 130.0 230.0
 &rst     iat =  1722,  1741,  1746,  1747,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 85 GUA EPSILON:  (85 DG C4')-(85 DG C3')-(85 DG O3')-(86 DC P) 130.0 230.0
 &rst     iat =  1754,  1774,  1779,  1780,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 86 CYT EPSILON:  (86 DC C4')-(86 DC C3')-(86 DC O3')-(87 DC P) 130.0 230.0
 &rst     iat =  1787,  1804,  1809,  1810,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 87 CYT EPSILON:  (87 DC C4')-(87 DC C3')-(87 DC O3')-(88 DA P) 130.0 230.0
 &rst     iat =  1817,  1834,  1839,  1840,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 88 ADE EPSILON:  (88 DA C4')-(88 DA C3')-(88 DA O3')-(89 DA P) 130.0 230.0
 &rst     iat =  1847,  1866,  1871,  1872,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 89 ADE EPSILON:  (89 DA C4')-(89 DA C3')-(89 DA O3')-(90 DA P) 130.0 230.0
 &rst     iat =  1879,  1898,  1903,  1904,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 90 ADE EPSILON:  (90 DA C4')-(90 DA C3')-(90 DA O3')-(91 DA3 P) 130.0 230.0
 &rst     iat =  1911,  1930,  1935,  1936,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 1989 atoms read from pdb file CIOlow0805Amb.amb.pdb.
# 10 LYS PHI:  (9 MET C)-(10 LYS N)-(10 LYS CA)-(10 LYS C) 270.0 330.0
 &rst     iat =   143,   145,   147,   165,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
   rk2 =   32.0, rk3 =   32.0,    &end

# 12 ILE PHI:  (11 LEU C)-(12 ILE N)-(12 ILE CA)-(12 ILE C) 270.0 330.0
 &rst     iat =   184,   186,   188,   203,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 16 VAL PHI:  (15 ILE C)-(16 VAL N)-(16 VAL CA)-(16 VAL C) 270.0 330.0
 &rst     iat =   259,   261,   263,   275,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 17 GLU PHI:  (16 VAL C)-(17 GLU N)-(17 GLU CA)-(17 GLU C) 270.0 330.0
 &rst     iat =   275,   277,   279,   290,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 18 ASN PHI:  (17 GLU C)-(18 ASN N)-(18 ASN CA)-(18 ASN C) 210.0 270.0
 &rst     iat =   290,   292,   294,   304,
   r1 = 209.0, r2 = 210.0, r3 = 270.0, r4 = 271.0,
 &end

# 29 GLU PHI:  (28 GLN C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) 270.0 330.0
 &rst     iat =   474,   476,   478,   489,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 31 ALA PHI:  (30 ILE C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) 270.0 330.0
 &rst     iat =   508,   510,   512,   518,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 32 ASN PHI:  (31 ALA C)-(32 ASN N)-(32 ASN CA)-(32 ASN C) 270.0 330.0
 &rst     iat =   518,   520,   522,   532,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 33 ILE PHI:  (32 ASN C)-(33 ILE N)-(33 ILE CA)-(33 ILE C) 270.0 330.0
 &rst     iat =   532,   534,   536,   551,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 34 LEU PHI:  (33 ILE C)-(34 LEU N)-(34 LEU CA)-(34 LEU C) 270.0 330.0
 &rst     iat =   551,   553,   555,   570,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 36 GLU PHI:  (35 LYS C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) 270.0 330.0
 &rst     iat =   592,   594,   596,   607,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 39 PHE PHI:  (38 GLY C)-(39 PHE N)-(39 PHE CA)-(39 PHE C) 205.0 275.0
 &rst     iat =   636,   638,   640,   656,
   r1 = 204.0, r2 = 205.0, r3 = 275.0, r4 = 276.0,
 &end

# 41 VAL PHI:  (40 LYS C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) 210.0 270.0
 &rst     iat =   678,   680,   682,   694,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 46 VAL PHI:  (45 THR C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) 270.0 330.0
 &rst     iat =   766,   768,   770,   782,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 47 ALA PHI:  (46 VAL C)-(47 ALA N)-(47 ALA CA)-(47 ALA C) 270.0 330.0
 &rst     iat =   782,   784,   786,   792,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 49 TYR PHI:  (48 LYS C)-(49 TYR N)-(49 TYR CA)-(49 TYR C) 270.0 330.0
 &rst     iat =   814,   816,   818,   835,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 50 ARG PHI:  (49 TYR C)-(50 ARG N)-(50 ARG CA)-(50 ARG C) 270.0 330.0
 &rst     iat =   835,   837,   839,   859,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end

# 59 ARG PHI:  (58 SER C)-(59 ARG N)-(59 ARG CA)-(59 ARG C) 265.0 335.0
 &rst     iat =   972,   974,   976,   996,
   r1 = 264.0, r2 = 265.0, r3 = 335.0, r4 = 336.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    T  64          1H5*        T  64   9.547  -4.186  19.500
    2   2H5*    T  64          2H5*        T  64   9.064  -2.514  19.192
    3    H4*    T  64           H4*        T  64  10.453  -3.274  17.408
    4    H3*    T  64           H3*        T  64   7.577  -2.982  16.545
    5   1H2*    T  64          1H2*        T  64   8.243  -3.544  14.386
    6   2H2*    T  64          2H2*        T  64   9.970  -3.203  14.719
    7    H1*    T  64           H1*        T  64  10.114  -5.443  15.006
    8    H3     T  64           H3         T  64   7.022  -8.045  13.097
    9   1H5M    T  64          1H5M        T  64   5.213  -7.811  17.797
   10   2H5M    T  64          2H5M        T  64   4.902  -6.064  17.676
   11   3H5M    T  64          3H5M        T  64   4.011  -7.193  16.642
   12    H6     T  64           H6         T  64   7.130  -5.359  17.094
   13    H5T    T  64           H5T        T  64   7.300  -3.799  19.952
   14   1H5*    T  65          1H5*        T  65  10.125  -1.144  13.716
   15   2H5*    T  65          2H5*        T  65   9.564   0.394  13.050
   16    H4*    T  65           H4*        T  65   9.940  -1.413  11.302
   17    H3*    T  65           H3*        T  65   7.388   0.036  11.670
   18   1H2*    T  65          1H2*        T  65   6.032  -1.538  10.976
   19   2H2*    T  65          2H2*        T  65   6.981  -1.837   9.501
   20    H1*    T  65           H1*        T  65   8.141  -3.552  10.378
   21    H3     T  65           H3         T  65   4.741  -6.472  11.081
   22   1H5M    T  65          1H5M        T  65   3.825  -4.633  15.296
   23   2H5M    T  65          2H5M        T  65   5.225  -3.579  15.544
   24   3H5M    T  65          3H5M        T  65   3.776  -2.951  14.725
   25    H6     T  65           H6         T  65   6.334  -2.600  13.469
   26   1H5*    T  66          1H5*        T  66   8.532  -1.367   7.590
   27   2H5*    T  66          2H5*        T  66   8.324  -0.198   6.277
   28    H4*    T  66           H4*        T  66   7.526  -2.381   5.549
   29    H3*    T  66           H3*        T  66   5.902  -0.067   5.482
   30   1H2*    T  66          1H2*        T  66   4.436  -0.800   7.106
   31   2H2*    T  66          2H2*        T  66   3.631  -1.588   5.737
   32    H1*    T  66           H1*        T  66   4.854  -3.639   6.060
   33    H3     T  66           H3         T  66   2.183  -5.764   9.038
   34   1H5M    T  66          1H5M        T  66   2.996  -0.798  10.925
   35   2H5M    T  66          2H5M        T  66   2.051  -1.993  11.828
   36   3H5M    T  66          3H5M        T  66   3.817  -1.942  12.014
   37    H6     T  66           H6         T  66   4.488  -1.526   9.143
   38   1H5*    T  67          1H5*        T  67   4.799  -4.048   3.731
   39   2H5*    T  67          2H5*        T  67   4.430  -3.833   2.015
   40    H4*    T  67           H4*        T  67   3.216  -5.766   2.870
   41    H3*    T  67           H3*        T  67   2.053  -3.615   1.506
   42   1H2*    T  67          1H2*        T  67   0.885  -2.812   3.421
   43   2H2*    T  67          2H2*        T  67  -0.349  -3.964   2.828
   44    H1*    T  67           H1*        T  67   0.590  -5.760   4.165
   45    H3     T  67           H3         T  67  -1.798  -5.112   7.952
   46   1H5M    T  67          1H5M        T  67   0.816  -1.353   9.066
   47   2H5M    T  67          2H5M        T  67   1.826  -1.109   7.630
   48   3H5M    T  67          3H5M        T  67   0.162  -0.487   7.663
   49    H6     T  67           H6         T  67   1.562  -2.489   5.703
   50   1H5*    G  68          1H5*        G  68   0.319  -8.090   1.152
   51   2H5*    G  68          2H5*        G  68  -0.260  -8.287  -0.506
   52    H4*    G  68           H4*        G  68  -1.377  -9.817   1.044
   53    H3*    G  68           H3*        G  68  -2.775  -8.356  -0.831
   54    H1*    G  68           H1*        G  68  -4.009  -8.671   2.813
   55    H8     G  68           H8         G  68  -2.254  -5.242   2.167
   56    H1     G  68           H1         G  68  -5.718  -5.656   7.600
   57   1H2     G  68          1H2         G  68  -6.918  -7.580   7.498
   58   2H2     G  68          2H2         G  68  -6.533  -8.779   6.275
   59   1H2*    G  68          1H2*        G  68  -3.485  -6.640   0.619
   60   2H2*    G  68          2H2*        G  68  -4.870  -7.746   0.823
   61   1H5*    G  69          1H5*        G  69  -5.431 -11.281   2.012
   62   2H5*    G  69          2H5*        G  69  -6.305 -12.276   0.841
   63    H4*    G  69           H4*        G  69  -7.621 -12.082   2.827
   64    H3*    G  69           H3*        G  69  -8.687 -11.466   0.323
   65    H1*    G  69           H1*        G  69  -9.469  -9.553   3.519
   66    H8     G  69           H8         G  69  -7.222  -7.378   1.194
   67    H1     G  69           H1         G  69  -9.240  -4.528   6.613
   68   1H2     G  69          1H2         G  69 -10.760  -5.791   7.557
   69   2H2     G  69          2H2         G  69 -11.116  -7.387   6.897
   70   1H2*    G  69          1H2*        G  69  -8.593  -9.128   0.627
   71   2H2*    G  69          2H2*        G  69 -10.240  -9.428   1.250
   72   1H5*    C  70          1H5*        C  70 -11.541 -11.346   4.116
   73   2H5*    C  70          2H5*        C  70 -13.051 -12.173   3.721
   74    H4*    C  70           H4*        C  70 -13.490 -10.365   5.248
   75    H3*    C  70           H3*        C  70 -14.806 -10.523   2.708
   76    H1*    C  70           H1*        C  70 -13.928  -7.558   4.843
   77   1H4     C  70          1H4         C  70 -10.795  -2.533   2.767
   78   2H4     C  70          2H4         C  70  -9.865  -3.453   1.579
   79    H5     C  70           H5         C  70 -10.196  -5.810   1.262
   80    H6     C  70           H6         C  70 -11.536  -7.770   1.982
   81   1H2*    C  70          1H2*        C  70 -13.913  -8.501   1.940
   82   2H2*    C  70          2H2*        C  70 -15.283  -7.815   2.866
   83   1H5*    A  71          1H5*        A  71 -16.840  -7.798   6.099
   84   2H5*    A  71          2H5*        A  71 -18.602  -7.927   5.997
   85    H4*    A  71           H4*        A  71 -17.867  -5.604   6.414
   86    H3*    A  71           H3*        A  71 -19.235  -6.201   3.796
   87    H1*    A  71           H1*        A  71 -16.681  -3.442   4.913
   88    H8     A  71           H8         A  71 -16.366  -6.028   2.076
   89   1H6     A  71          1H6         A  71 -12.745  -1.458  -0.366
   90   2H6     A  71          2H6         A  71 -13.160  -3.159  -0.665
   91    H2     A  71           H2         A  71 -14.806   0.155   2.943
   92   1H2*    A  71          1H2*        A  71 -18.685  -4.184   2.901
   93   2H2*    A  71          2H2*        A  71 -18.847  -3.326   4.455
   94   1H5*    C  72          1H5*        C  72 -20.206  -2.821   6.713
   95   2H5*    C  72          2H5*        C  72 -21.883  -2.260   6.777
   96    H4*    C  72           H4*        C  72 -20.293  -0.364   6.796
   97    H3*    C  72           H3*        C  72 -22.056  -0.693   4.388
   98    H1*    C  72           H1*        C  72 -18.675   1.044   5.080
   99   1H4     C  72          1H4         C  72 -15.669   0.601  -0.551
  100   2H4     C  72          2H4         C  72 -16.692  -0.686  -0.983
  101    H5     C  72           H5         C  72 -18.267  -1.760   0.441
  102    H6     C  72           H6         C  72 -19.432  -1.589   2.591
  103   1H2*    C  72          1H2*        C  72 -20.932   0.763   3.181
  104   2H2*    C  72          2H2*        C  72 -20.657   1.893   4.553
  105   1H5*    G  73          1H5*        G  73 -21.866   3.464   6.346
  106   2H5*    G  73          2H5*        G  73 -23.370   4.380   6.149
  107    H4*    G  73           H4*        G  73 -21.504   5.836   5.711
  108    H3*    G  73           H3*        G  73 -22.917   5.042   3.152
  109    H1*    G  73           H1*        G  73 -19.125   5.698   3.376
  110    H8     G  73           H8         G  73 -21.679   2.937   2.771
  111    H1     G  73           H1         G  73 -17.169   3.596  -1.812
  112   1H2     G  73          1H2         G  73 -16.369   5.722  -1.676
  113   2H2     G  73          2H2         G  73 -16.830   6.724  -0.304
  114   1H2*    G  73          1H2*        G  73 -21.352   6.481   2.013
  115   2H2*    G  73          2H2*        G  73 -20.831   7.238   3.550
  116   1H5*    T  74          1H5*        T  74 -21.935   8.993   2.748
  117   2H5*    T  74          2H5*        T  74 -23.246  10.059   2.206
  118    H4*    T  74           H4*        T  74 -21.235  10.301   0.751
  119    H3*    T  74           H3*        T  74 -23.636   8.953  -0.508
  120   1H2*    T  74          1H2*        T  74 -22.377   8.856  -2.528
  121   2H2*    T  74          2H2*        T  74 -21.241  10.111  -1.963
  122    H1*    T  74           H1*        T  74 -19.922   8.471  -1.282
  123    H3     T  74           H3         T  74 -20.325   4.556  -3.636
  124   1H5M    T  74          1H5M        T  74 -23.131   2.976  -0.175
  125   2H5M    T  74          2H5M        T  74 -23.421   4.426   0.804
  126   3H5M    T  74          3H5M        T  74 -24.376   4.138  -0.664
  127    H6     T  74           H6         T  74 -22.580   6.624   0.079
  128   1H5*    T  75          1H5*        T  75 -21.947  11.859  -3.086
  129   2H5*    T  75          2H5*        T  75 -23.139  13.005  -3.698
  130    H4*    T  75           H4*        T  75 -21.779  12.120  -5.524
  131    H3*    T  75           H3*        T  75 -24.653  11.986  -5.388
  132   1H2*    T  75          1H2*        T  75 -24.990   9.873  -5.822
  133   2H2*    T  75          2H2*        T  75 -24.387  10.139  -7.472
  134    H1*    T  75           H1*        T  75 -22.345   9.328  -7.035
  135    H3     T  75           H3         T  75 -22.634   4.871  -6.236
  136   1H5M    T  75          1H5M        T  75 -25.255   5.621  -2.420
  137   2H5M    T  75          2H5M        T  75 -24.524   7.151  -1.886
  138   3H5M    T  75          3H5M        T  75 -25.993   7.165  -2.879
  139    H6     T  75           H6         T  75 -24.141   8.877  -4.036
  140   1H5*    T  76          1H5*        T  76 -22.485  11.745  -9.541
  141   2H5*    T  76          2H5*        T  76 -23.333  12.646 -10.809
  142    H4*    T  76           H4*        T  76 -22.543  10.491 -11.669
  143    H3*    T  76           H3*        T  76 -25.466  11.044 -11.498
  144   1H2*    T  76          1H2*        T  76 -26.097   8.889 -11.329
  145   2H2*    T  76          2H2*        T  76 -25.052   8.426 -12.697
  146    H1*    T  76           H1*        T  76 -23.371   7.717 -11.461
  147    H3     T  76           H3         T  76 -24.719   4.326  -8.717
  148   1H5M    T  76          1H5M        T  76 -27.735   7.406  -6.582
  149   2H5M    T  76          2H5M        T  76 -26.208   7.899  -5.808
  150   3H5M    T  76          3H5M        T  76 -26.971   8.963  -6.994
  151    H6     T  76           H6         T  76 -25.690   9.043  -8.882
  152   1H5*    C  77          1H5*        C  77 -23.653   8.897 -15.220
  153   2H5*    C  77          2H5*        C  77 -24.631   9.068 -16.681
  154    H4*    C  77           H4*        C  77 -24.057   6.733 -16.396
  155    H3*    C  77           H3*        C  77 -26.949   7.224 -15.671
  156    H1*    C  77           H1*        C  77 -24.439   4.473 -14.532
  157   1H4     C  77          1H4         C  77 -28.212   3.837  -9.500
  158   2H4     C  77          2H4         C  77 -28.806   5.504  -9.593
  159    H5     C  77           H5         C  77 -28.078   7.008 -11.360
  160    H6     C  77           H6         C  77 -26.640   7.134 -13.422
  161    H3T    C  77           H3T        C  77 -27.217   6.341 -17.808
  162   1H2*    C  77          1H2*        C  77 -27.128   4.894 -15.384
  163   2H2*    C  77          2H2*        C  77 -25.705   4.561 -16.418
  164   1H5*    G  78          1H5*        G  78 -30.370  -7.452  -8.920
  165   2H5*    G  78          2H5*        G  78 -30.873  -5.869  -8.305
  166    H4*    G  78           H4*        G  78 -29.946  -6.419 -11.168
  167    H3*    G  78           H3*        G  78 -28.484  -5.257  -8.747
  168    H1*    G  78           H1*        G  78 -29.430  -3.501 -12.066
  169    H8     G  78           H8         G  78 -30.281  -2.989  -8.428
  170    H1     G  78           H1         G  78 -27.235   2.028 -11.083
  171   1H2     G  78          1H2         G  78 -26.190   1.306 -12.906
  172   2H2     G  78          2H2         G  78 -26.516  -0.317 -13.526
  173   1H2*    G  78          1H2*        G  78 -27.368  -3.850 -10.165
  174   2H2*    G  78          2H2*        G  78 -27.671  -4.861 -11.623
  175    H5T    G  78           H5T        G  78 -32.503  -5.890 -10.011
  176   1H5*    A  79          1H5*        A  79 -25.690  -5.882 -11.750
  177   2H5*    A  79          2H5*        A  79 -24.185  -6.623 -11.194
  178    H4*    A  79           H4*        A  79 -23.766  -4.437 -12.299
  179    H3*    A  79           H3*        A  79 -23.168  -4.705  -9.362
  180    H1*    A  79           H1*        A  79 -24.049  -1.592 -11.596
  181    H8     A  79           H8         A  79 -25.951  -3.004  -8.616
  182   1H6     A  79          1H6         A  79 -26.057   3.039  -6.769
  183   2H6     A  79          2H6         A  79 -26.746   1.464  -6.352
  184    H2     A  79           H2         A  79 -23.333   2.768 -10.010
  185   1H2*    A  79          1H2*        A  79 -22.629  -2.487  -9.230
  186   2H2*    A  79          2H2*        A  79 -22.090  -2.406 -10.935
  187   1H5*    A  80          1H5*        A  80 -20.521  -3.205 -12.595
  188   2H5*    A  80          2H5*        A  80 -18.785  -3.557 -12.534
  189    H4*    A  80           H4*        A  80 -19.300  -1.121 -13.102
  190    H3*    A  80           H3*        A  80 -17.747  -1.796 -10.578
  191    H1*    A  80           H1*        A  80 -20.077   1.224 -11.320
  192    H8     A  80           H8         A  80 -20.312  -1.734  -8.894
  193   1H6     A  80          1H6         A  80 -23.084   2.568  -5.202
  194   2H6     A  80          2H6         A  80 -22.757   0.836  -5.288
  195    H2     A  80           H2         A  80 -21.373   4.607  -8.540
  196   1H2*    A  80          1H2*        A  80 -17.823   0.377  -9.959
  197   2H2*    A  80          2H2*        A  80 -17.956   0.990 -11.626
  198   1H5*    A  81          1H5*        A  81 -16.081   1.615 -12.716
  199   2H5*    A  81          2H5*        A  81 -14.312   1.636 -12.688
  200    H4*    A  81           H4*        A  81 -15.240   3.719 -11.679
  201    H3*    A  81           H3*        A  81 -13.670   1.760 -10.048
  202    H1*    A  81           H1*        A  81 -16.407   4.389  -9.056
  203    H8     A  81           H8         A  81 -16.420   0.555  -8.525
  204   1H6     A  81          1H6         A  81 -20.296   1.991  -3.770
  205   2H6     A  81          2H6         A  81 -19.449   0.622  -4.491
  206    H2     A  81           H2         A  81 -19.425   5.597  -5.896
  207   1H2*    A  81          1H2*        A  81 -14.399   2.468  -8.087
  208   2H2*    A  81          2H2*        A  81 -14.260   4.197  -8.539
  209   1H5*    C  82          1H5*        C  82 -12.658   6.259  -9.304
  210   2H5*    C  82          2H5*        C  82 -10.923   6.422  -8.986
  211    H4*    C  82           H4*        C  82 -12.142   7.595  -7.239
  212    H3*    C  82           H3*        C  82 -10.809   5.017  -6.442
  213    H1*    C  82           H1*        C  82 -13.874   6.965  -4.999
  214   1H4     C  82          1H4         C  82 -17.351   2.250  -2.630
  215   2H4     C  82          2H4         C  82 -16.553   1.199  -3.711
  216    H5     C  82           H5         C  82 -15.055   1.851  -5.483
  217    H6     C  82           H6         C  82 -13.721   3.627  -6.358
  218   1H2*    C  82          1H2*        C  82 -11.867   4.894  -4.490
  219   2H2*    C  82          2H2*        C  82 -11.796   6.656  -4.184
  220   1H5*    G  83          1H5*        G  83  -9.866   8.643  -3.769
  221   2H5*    G  83          2H5*        G  83  -8.314   8.457  -2.957
  222    H4*    G  83           H4*        G  83 -10.045   9.233  -1.498
  223    H3*    G  83           H3*        G  83  -8.258   7.568  -0.640
  224    H1*    G  83           H1*        G  83 -11.970   6.765   0.076
  225    H8     G  83           H8         G  83 -10.248   4.475  -2.514
  226    H1     G  83           H1         G  83 -15.556   1.983   0.191
  227   1H2     G  83          1H2         G  83 -16.045   3.260   1.965
  228   2H2     G  83          2H2         G  83 -15.283   4.835   2.150
  229   1H2*    G  83          1H2*        G  83  -9.405   5.604  -1.036
  230   2H2*    G  83          2H2*        G  83  -9.912   5.823   0.645
  231   1H5*    T  84          1H5*        T  84 -12.000   7.772   2.540
  232   2H5*    T  84          2H5*        T  84 -11.106   8.424   3.936
  233    H4*    T  84           H4*        T  84 -12.663   6.759   4.758
  234    H3*    T  84           H3*        T  84  -9.861   6.655   5.227
  235   1H2*    T  84          1H2*        T  84  -9.455   4.789   3.895
  236   2H2*    T  84          2H2*        T  84  -9.913   3.916   5.383
  237    H1*    T  84           H1*        T  84 -12.173   3.724   4.724
  238    H3     T  84           H3         T  84 -12.979   0.478   1.682
  239   1H5M    T  84          1H5M        T  84  -8.221   1.918   0.442
  240   2H5M    T  84          2H5M        T  84  -9.327   1.573  -0.899
  241   3H5M    T  84          3H5M        T  84  -9.037   3.239  -0.437
  242    H6     T  84           H6         T  84  -9.607   3.900   1.956
  243   1H5*    G  85          1H5*        G  85 -12.903   5.386   9.039
  244   2H5*    G  85          2H5*        G  85 -11.814   5.486  10.438
  245    H4*    G  85           H4*        G  85 -13.278   3.618  10.865
  246    H3*    G  85           H3*        G  85 -10.545   2.776   9.888
  247    H1*    G  85           H1*        G  85 -13.823   0.862   9.076
  248    H8     G  85           H8         G  85 -10.788   2.645   7.528
  249    H1     G  85           H1         G  85 -12.634  -2.705   4.479
  250   1H2     G  85          1H2         G  85 -14.141  -3.739   5.798
  251   2H2     G  85          2H2         G  85 -14.764  -2.932   7.236
  252   1H2*    G  85          1H2*        G  85 -11.134   0.596   9.765
  253   2H2*    G  85          2H2*        G  85 -12.498   0.759  10.931
  254   1H5*    C  86          1H5*        C  86 -12.098   0.429  13.181
  255   2H5*    C  86          2H5*        C  86 -10.935   0.233  14.494
  256    H4*    C  86           H4*        C  86 -12.116  -1.863  14.008
  257    H3*    C  86           H3*        C  86  -9.242  -1.577  14.033
  258    H1*    C  86           H1*        C  86 -11.362  -3.983  11.691
  259   1H4     C  86          1H4         C  86  -9.616  -2.779   5.724
  260   2H4     C  86          2H4         C  86  -8.969  -1.222   6.174
  261    H5     C  86           H5         C  86  -9.005  -0.365   8.377
  262    H6     C  86           H6         C  86  -9.514  -0.924  10.735
  263   1H2*    C  86          1H2*        C  86  -8.716  -2.656  12.152
  264   2H2*    C  86          2H2*        C  86  -9.395  -4.144  12.829
  265   1H5*    C  87          1H5*        C  87 -11.001  -5.806  14.744
  266   2H5*    C  87          2H5*        C  87 -10.105  -6.787  15.911
  267    H4*    C  87           H4*        C  87 -10.582  -8.082  13.891
  268    H3*    C  87           H3*        C  87  -7.671  -7.328  14.258
  269    H1*    C  87           H1*        C  87  -9.715  -8.072  11.017
  270   1H4     C  87          1H4         C  87  -6.817  -3.926   7.386
  271   2H4     C  87          2H4         C  87  -6.230  -3.031   8.764
  272    H5     C  87           H5         C  87  -6.409  -3.771  10.969
  273    H6     C  87           H6         C  87  -7.415  -5.489  12.471
  274   1H2*    C  87          1H2*        C  87  -7.167  -8.445  12.245
  275   2H2*    C  87          2H2*        C  87  -8.620  -9.471  12.347
  276   1H5*    A  88          1H5*        A  88  -8.129 -11.385  13.246
  277   2H5*    A  88          2H5*        A  88  -7.161 -12.547  14.146
  278    H4*    A  88           H4*        A  88  -6.999 -12.698  11.647
  279    H3*    A  88           H3*        A  88  -4.960 -13.107  13.479
  280    H1*    A  88           H1*        A  88  -4.429 -11.006  10.232
  281    H8     A  88           H8         A  88  -4.928  -8.871  13.469
  282   1H6     A  88          1H6         A  88  -2.522  -4.253  10.006
  283   2H6     A  88          2H6         A  88  -3.243  -4.624  11.573
  284    H2     A  88           H2         A  88  -2.547  -7.809   7.551
  285   1H2*    A  88          1H2*        A  88  -3.916 -11.041  13.222
  286   2H2*    A  88          2H2*        A  88  -3.055 -11.904  11.927
  287   1H5*    A  89          1H5*        A  89  -4.346 -13.552   8.922
  288   2H5*    A  89          2H5*        A  89  -3.707 -15.163   8.592
  289    H4*    A  89           H4*        A  89  -3.072 -13.610   6.839
  290    H3*    A  89           H3*        A  89  -1.273 -15.300   8.117
  291    H1*    A  89           H1*        A  89  -0.466 -11.673   7.179
  292    H8     A  89           H8         A  89  -0.977 -12.134  11.025
  293   1H6     A  89          1H6         A  89   0.726  -6.090  11.182
  294   2H6     A  89          2H6         A  89   0.212  -7.424  12.222
  295    H2     A  89           H2         A  89   0.763  -7.366   7.068
  296   1H2*    A  89          1H2*        A  89  -0.239 -13.683   9.443
  297   2H2*    A  89          2H2*        A  89   0.785 -13.499   7.989
  298   1H5*    A  90          1H5*        A  90   0.846 -12.866   4.604
  299   2H5*    A  90          2H5*        A  90   1.793 -14.023   3.659
  300    H4*    A  90           H4*        A  90   3.080 -12.015   3.915
  301    H3*    A  90           H3*        A  90   4.069 -14.526   4.936
  302    H1*    A  90           H1*        A  90   4.681 -10.939   6.134
  303    H8     A  90           H8         A  90   2.856 -13.157   8.783
  304   1H6     A  90          1H6         A  90   3.256  -7.957  12.283
  305   2H6     A  90          2H6         A  90   2.617  -9.602  12.294
  306    H2     A  90           H2         A  90   5.308  -7.191   8.586
  307   1H2*    A  90          1H2*        A  90   4.295 -13.807   7.099
  308   2H2*    A  90          2H2*        A  90   5.791 -13.025   6.508
  309   1H5*    A  91          1H5*        A  91   7.359 -11.163   3.338
  310   2H5*    A  91          2H5*        A  91   8.779 -12.105   2.867
  311    H4*    A  91           H4*        A  91   9.574 -10.132   3.970
  312    H3*    A  91           H3*        A  91   9.706 -12.562   5.802
  313    H1*    A  91           H1*        A  91   9.235  -8.864   6.835
  314    H8     A  91           H8         A  91   7.938 -12.451   7.376
  315   1H6     A  91          1H6         A  91   5.922 -10.006  12.829
  316   2H6     A  91          2H6         A  91   5.972 -11.518  11.922
  317    H2     A  91           H2         A  91   7.975  -6.901  10.651
  318    H3T    A  91           H3T        A  91  11.159 -12.564   4.012
  319   1H2*    A  91          1H2*        A  91  10.658 -11.208   7.461
  320   2H2*    A  91          2H2*        A  91  11.156  -9.953   6.285
  321   1H    HIS   1          1H        HIS   1  -8.635  13.232  -0.258
  322   2H    HIS   1          2H        HIS   1  -8.961  12.560   1.205
  323   3H    HIS   1          3H        HIS   1  -9.975  13.688   0.571
  324    HA   HIS   1           HA       HIS   1  -9.459  11.024  -0.533
  325   2HB   HIS   1          2HB       HIS   1 -10.742  10.864   1.510
  326    HD1  HIS   1           HD1      HIS   1 -12.525  13.733  -0.460
  327    HD2  HIS   1           HD2      HIS   1 -12.901  11.293   2.978
  328    HE1  HIS   1           HE1      HIS   1 -14.372  14.743   0.925
  329    H    MET   2           H        MET   2 -11.611  10.481  -1.918
  330    HA   MET   2           HA       MET   2 -12.534  10.655  -3.972
  331   2HB   MET   2          2HB       MET   2 -14.097  12.540  -4.223
  332   2HG   MET   2          2HG       MET   2 -13.930  11.470  -1.382
  333   1HE   MET   2          1HE       MET   2 -16.832  10.312  -1.234
  334   2HE   MET   2          2HE       MET   2 -16.051  11.196   0.097
  335   3HE   MET   2          3HE       MET   2 -17.690  11.638  -0.423
  336    H    LEU   3           H        LEU   3  -9.830  11.163  -4.127
  337    HA   LEU   3           HA       LEU   3  -9.090  13.402  -5.722
  338   2HB   LEU   3          2HB       LEU   3  -7.006  11.955  -6.070
  339    HG   LEU   3           HG       LEU   3  -7.866  11.978  -3.161
  340   1HD1  LEU   3          1HD1      LEU   3  -5.090  12.584  -4.156
  341   2HD1  LEU   3          2HD1      LEU   3  -5.631  11.797  -2.651
  342   3HD1  LEU   3          3HD1      LEU   3  -5.624  10.926  -4.206
  343   1HD2  LEU   3          1HD2      LEU   3  -8.255  14.237  -3.963
  344   2HD2  LEU   3          2HD2      LEU   3  -6.716  14.239  -3.128
  345   3HD2  LEU   3          3HD2      LEU   3  -6.747  14.196  -4.914
  346    H    THR   4           H        THR   4  -7.757  13.017  -7.718
  347    HA   THR   4           HA       THR   4  -9.618  12.470  -9.909
  348    HB   THR   4           HB       THR   4  -7.829  13.231 -11.387
  349    HG1  THR   4           HG1      THR   4  -5.883  13.922 -10.377
  350   1HG2  THR   4          1HG2      THR   4  -8.055  15.018  -8.949
  351   2HG2  THR   4          2HG2      THR   4  -7.500  15.498 -10.565
  352   3HG2  THR   4          3HG2      THR   4  -9.173  14.961 -10.324
  353    H    GLN   5           H        GLN   5  -8.171  11.472 -11.940
  354    HA   GLN   5           HA       GLN   5  -8.213   8.694 -11.817
  355   2HB   GLN   5          2HB       GLN   5  -8.140  10.090 -13.846
  356   2HG   GLN   5          2HG       GLN   5  -5.125  10.275 -13.407
  357   1HE2  GLN   5          1HE2      GLN   5  -6.157  12.962 -15.035
  358   2HE2  GLN   5          2HE2      GLN   5  -5.955  12.359 -16.677
  359    HN2  GLY   6           HN2      GLY   6  -5.593  10.791 -10.619
  360   1HA   GLY   6          1HA       GLY   6  -4.528   8.585  -9.125
  361   2HA   GLY   6          2HA       GLY   6  -3.508   8.972 -10.516
  362    H    GLU   7           H        GLU   7  -5.233  11.400  -8.271
  363    HA   GLU   7           HA       GLU   7  -2.924  13.007  -8.214
  364   2HB   GLU   7          2HB       GLU   7  -4.629  13.559  -5.996
  365   2HG   GLU   7          2HG       GLU   7  -4.631  14.830  -8.753
  366    H    LEU   8           H        LEU   8  -3.603  10.180  -6.469
  367    HA   LEU   8           HA       LEU   8  -1.268  10.730  -4.655
  368   2HB   LEU   8          2HB       LEU   8  -3.425  10.346  -3.531
  369    HG   LEU   8           HG       LEU   8  -3.855   8.191  -5.229
  370   1HD1  LEU   8          1HD1      LEU   8  -2.922   7.093  -2.535
  371   2HD1  LEU   8          2HD1      LEU   8  -3.682   6.160  -3.828
  372   3HD1  LEU   8          3HD1      LEU   8  -2.073   6.859  -4.085
  373   1HD2  LEU   8          1HD2      LEU   8  -5.780   8.785  -4.225
  374   2HD2  LEU   8          2HD2      LEU   8  -5.442   7.419  -3.164
  375   3HD2  LEU   8          3HD2      LEU   8  -5.033   9.063  -2.639
  376    H    MET   9           H        MET   9  -2.180   9.012  -7.415
  377    HA   MET   9           HA       MET   9  -0.561   6.583  -7.067
  378   2HB   MET   9          2HB       MET   9  -2.274   7.800  -9.211
  379   2HG   MET   9          2HG       MET   9  -0.109   5.838  -9.836
  380   1HE   MET   9          1HE       MET   9  -2.790   4.227  -9.563
  381   2HE   MET   9          2HE       MET   9  -2.893   3.399 -11.128
  382   3HE   MET   9          3HE       MET   9  -1.330   3.532 -10.303
  383    H    LYS  10           H        LYS  10  -0.391   9.285  -9.262
  384    HA   LYS  10           HA       LYS  10   2.369   8.683 -10.027
  385   2HB   LYS  10          2HB       LYS  10   0.695   9.402 -11.634
  386   2HG   LYS  10          2HG       LYS  10   0.778  12.272 -10.862
  387   2HD   LYS  10          2HD       LYS  10  -1.627  10.542 -11.589
  388   2HE   LYS  10          2HE       LYS  10  -2.065  12.785 -10.594
  389   1HZ   LYS  10          1HZ       LYS  10  -0.830  13.779 -13.109
  390   2HZ   LYS  10          2HZ       LYS  10  -1.657  14.698 -12.046
  391   3HZ   LYS  10          3HZ       LYS  10  -0.231  14.034 -11.608
  392    H    LEU  11           H        LEU  11   1.873   9.492  -7.278
  393    HA   LEU  11           HA       LEU  11   3.782  11.733  -6.840
  394   2HB   LEU  11          2HB       LEU  11   2.383  12.291  -4.817
  395    HG   LEU  11           HG       LEU  11   0.626  13.559  -5.776
  396   1HD1  LEU  11          1HD1      LEU  11   2.947  14.368  -6.133
  397   2HD1  LEU  11          2HD1      LEU  11   2.958  13.557  -7.720
  398   3HD1  LEU  11          3HD1      LEU  11   1.829  14.894  -7.415
  399   1HD2  LEU  11          1HD2      LEU  11   0.002  11.612  -7.445
  400   2HD2  LEU  11          2HD2      LEU  11  -0.294  13.307  -7.917
  401   3HD2  LEU  11          3HD2      LEU  11   1.129  12.457  -8.518
  402    H    ILE  12           H        ILE  12   2.323   8.612  -5.602
  403    HA   ILE  12           HA       ILE  12   3.865   8.726  -3.153
  404    HB   ILE  12           HB       ILE  12   3.581   6.224  -3.143
  405   2HG1  ILE  12          2HG1      ILE  12   2.991   6.451  -5.866
  406   1HG2  ILE  12          1HG2      ILE  12   2.155   7.521  -1.814
  407   2HG2  ILE  12          2HG2      ILE  12   1.210   8.088  -3.192
  408   3HG2  ILE  12          3HG2      ILE  12   1.109   6.389  -2.701
  409   1HD1  ILE  12          1HD1      ILE  12   1.946   4.224  -4.100
  410   2HD1  ILE  12          2HD1      ILE  12   2.525   4.109  -5.774
  411   3HD1  ILE  12          3HD1      ILE  12   3.681   4.402  -4.485
  412    H    LYS  13           H        LYS  13   4.628   7.667  -6.378
  413    HA   LYS  13           HA       LYS  13   7.261   6.509  -5.440
  414   2HB   LYS  13          2HB       LYS  13   6.061   5.023  -6.774
  415   2HG   LYS  13          2HG       LYS  13   4.583   6.594  -8.057
  416   2HD   LYS  13          2HD       LYS  13   6.083   8.189  -9.099
  417   2HE   LYS  13          2HE       LYS  13   7.308   5.783 -10.519
  418   1HZ   LYS  13          1HZ       LYS  13   7.099   7.701 -11.987
  419   2HZ   LYS  13          2HZ       LYS  13   7.801   8.697 -10.899
  420   3HZ   LYS  13          3HZ       LYS  13   8.668   7.494 -11.592
  421    H    GLU  14           H        GLU  14   6.149   9.363  -6.478
  422    HA   GLU  14           HA       GLU  14   8.481  10.213  -8.114
  423   2HB   GLU  14          2HB       GLU  14   5.995  11.831  -7.470
  424   2HG   GLU  14          2HG       GLU  14   7.778  13.055  -8.678
  425    H    ILE  15           H        ILE  15   7.204  10.461  -4.887
  426    HA   ILE  15           HA       ILE  15   9.275  12.476  -4.177
  427    HB   ILE  15           HB       ILE  15   8.129  12.859  -2.143
  428   2HG1  ILE  15          2HG1      ILE  15   6.600  10.396  -2.798
  429   1HG2  ILE  15          1HG2      ILE  15   6.102  12.981  -4.407
  430   2HG2  ILE  15          2HG2      ILE  15   6.172  14.002  -2.958
  431   3HG2  ILE  15          3HG2      ILE  15   7.455  14.112  -4.172
  432   1HD1  ILE  15          1HD1      ILE  15   8.033  10.650  -0.781
  433   2HD1  ILE  15          2HD1      ILE  15   6.968  11.952  -0.207
  434   3HD1  ILE  15          3HD1      ILE  15   6.339  10.298  -0.377
  435    H    VAL  16           H        VAL  16   7.972   9.178  -3.259
  436    HA   VAL  16           HA       VAL  16   9.958   8.817  -1.288
  437    HB   VAL  16           HB       VAL  16   8.442   6.711  -2.876
  438   1HG1  VAL  16          1HG1      VAL  16  10.278   6.479  -0.475
  439   2HG1  VAL  16          2HG1      VAL  16   9.053   5.238  -0.872
  440   3HG1  VAL  16          3HG1      VAL  16  10.362   5.591  -2.005
  441   1HG2  VAL  16          1HG2      VAL  16   8.063   7.765  -0.030
  442   2HG2  VAL  16          2HG2      VAL  16   7.050   8.206  -1.401
  443   3HG2  VAL  16          3HG2      VAL  16   7.089   6.528  -0.852
  444    H    GLU  17           H        GLU  17  10.086   8.272  -4.793
  445    HA   GLU  17           HA       GLU  17  12.743   6.907  -4.493
  446   2HB   GLU  17          2HB       GLU  17  12.760   6.563  -6.865
  447   2HG   GLU  17          2HG       GLU  17  10.007   5.817  -5.788
  448    H    ASN  18           H        ASN  18  11.869   9.974  -4.147
  449    HA   ASN  18           HA       ASN  18  14.249  11.135  -5.496
  450   2HB   ASN  18          2HB       ASN  18  12.429  13.149  -4.612
  451   1HD2  ASN  18          1HD2      ASN  18  10.912  12.536  -7.312
  452   2HD2  ASN  18          2HD2      ASN  18  12.047  13.183  -8.510
  453    H    GLU  19           H        GLU  19  12.922  10.351  -2.386
  454    HA   GLU  19           HA       GLU  19  14.407  12.497  -0.988
  455   2HB   GLU  19          2HB       GLU  19  13.205  11.478   1.021
  456   2HG   GLU  19          2HG       GLU  19  10.894  12.175   0.326
  457    H    ASP  20           H        ASP  20  14.021   9.206   0.236
  458    HA   ASP  20           HA       ASP  20  16.946   8.768   0.214
  459   2HB   ASP  20          2HB       ASP  20  16.764   8.009   2.618
  460    H    LYS  21           H        LYS  21  16.404   7.320  -1.412
  461    HA   LYS  21           HA       LYS  21  14.791   4.957  -1.127
  462   2HB   LYS  21          2HB       LYS  21  16.339   4.033  -2.914
  463   2HG   LYS  21          2HG       LYS  21  15.200   6.825  -3.402
  464   2HD   LYS  21          2HD       LYS  21  14.816   5.909  -5.716
  465   2HE   LYS  21          2HE       LYS  21  17.124   6.032  -6.588
  466   1HZ   LYS  21          1HZ       LYS  21  16.731   8.093  -4.499
  467   2HZ   LYS  21          2HZ       LYS  21  15.927   8.102  -5.921
  468   3HZ   LYS  21          3HZ       LYS  21  17.560   8.251  -5.895
  469    H    ARG  22           H        ARG  22  17.739   5.736   0.397
  470    HA   ARG  22           HA       ARG  22  18.384   2.955   1.261
  471   2HB   ARG  22          2HB       ARG  22  20.324   3.934   2.317
  472   2HG   ARG  22          2HG       ARG  22  21.533   4.916   0.517
  473   2HD   ARG  22          2HD       ARG  22  19.295   3.287  -0.750
  474    HE   ARG  22           HE       ARG  22  20.601   3.814  -2.607
  475   1HH1  ARG  22          1HH1      ARG  22  22.813   2.782  -0.092
  476   2HH1  ARG  22          2HH1      ARG  22  24.157   2.686  -1.207
  477   1HH2  ARG  22          1HH2      ARG  22  22.333   3.669  -3.954
  478   2HH2  ARG  22          2HH2      ARG  22  23.886   3.177  -3.324
  479    H    LYS  23           H        LYS  23  16.324   5.268   2.214
  480    HA   LYS  23           HA       LYS  23  15.753   4.015   4.880
  481   2HB   LYS  23          2HB       LYS  23  15.639   6.177   6.039
  482   2HG   LYS  23          2HG       LYS  23  18.391   5.832   4.752
  483   2HD   LYS  23          2HD       LYS  23  19.202   6.945   6.829
  484   2HE   LYS  23          2HE       LYS  23  18.396   9.293   6.324
  485   1HZ   LYS  23          1HZ       LYS  23  19.171   9.261   3.968
  486   2HZ   LYS  23          2HZ       LYS  23  20.225   8.561   5.020
  487   3HZ   LYS  23          3HZ       LYS  23  19.296   7.639   4.037
  488    HA   PRO  24           HA       PRO  24  12.264   5.143   2.004
  489   2HB   PRO  24          2HB       PRO  24  12.337   3.012   1.075
  490   2HG   PRO  24          2HG       PRO  24  12.831   1.089   2.421
  491   2HD   PRO  24          2HD       PRO  24  14.639   2.525   2.638
  492    H    TYR  25           H        TYR  25  10.010   5.474   2.264
  493    HA   TYR  25           HA       TYR  25   8.977   5.858   4.998
  494   2HB   TYR  25          2HB       TYR  25   7.016   6.795   3.843
  495    HD1  TYR  25           HD2      TYR  25   9.819   7.490   1.458
  496    HD2  TYR  25           HD1      TYR  25   7.549   8.852   4.858
  497    HE1  TYR  25           HE2      TYR  25  10.857   9.725   1.239
  498    HE2  TYR  25           HE1      TYR  25   8.664  11.069   4.712
  499    HH   TYR  25           HH       TYR  25  11.045  11.851   2.189
  500    H    SER  26           H        SER  26   6.355   5.188   4.873
  501    HA   SER  26           HA       SER  26   6.042   2.371   4.029
  502   2HB   SER  26          2HB       SER  26   6.677   2.272   6.407
  503    HG   SER  26           HG       SER  26   5.447   3.260   7.947
  504    H    ASP  27           H        ASP  27   3.629   1.783   4.122
  505    HA   ASP  27           HA       ASP  27   2.067   3.676   2.777
  506   2HB   ASP  27          2HB       ASP  27   1.631   1.369   2.559
  507    H    GLN  28           H        GLN  28   2.340   3.346   6.331
  508    HA   GLN  28           HA       GLN  28   0.251   5.296   6.879
  509   2HB   GLN  28          2HB       GLN  28   2.602   4.223   8.470
  510   2HG   GLN  28          2HG       GLN  28   2.191   6.456   9.321
  511   1HE2  GLN  28          1HE2      GLN  28   0.533   7.802   8.173
  512   2HE2  GLN  28          2HE2      GLN  28  -1.103   7.832   8.823
  513    H    GLU  29           H        GLU  29   3.885   5.548   6.656
  514    HA   GLU  29           HA       GLU  29   3.865   8.327   7.226
  515   2HB   GLU  29          2HB       GLU  29   6.204   8.173   6.345
  516   2HG   GLU  29          2HG       GLU  29   7.068   6.520   8.000
  517    H    ILE  30           H        ILE  30   3.990   6.718   3.999
  518    HA   ILE  30           HA       ILE  30   3.938   9.222   2.558
  519    HB   ILE  30           HB       ILE  30   3.356   8.058   0.605
  520   2HG1  ILE  30          2HG1      ILE  30   1.643   6.576   1.208
  521   1HG2  ILE  30          1HG2      ILE  30   5.289   6.315   2.157
  522   2HG2  ILE  30          2HG2      ILE  30   5.274   6.662   0.419
  523   3HG2  ILE  30          3HG2      ILE  30   5.681   7.948   1.559
  524   1HD1  ILE  30          1HD1      ILE  30   2.231   4.420   0.281
  525   2HD1  ILE  30          2HD1      ILE  30   3.124   5.657  -0.619
  526   3HD1  ILE  30          3HD1      ILE  30   3.944   4.673   0.618
  527    H    ALA  31           H        ALA  31   1.287   7.319   3.992
  528    HA   ALA  31           HA       ALA  31  -0.810   8.868   2.684
  529   1HB   ALA  31          1HB       ALA  31  -2.207   8.011   4.622
  530   2HB   ALA  31          2HB       ALA  31  -1.372   6.751   3.706
  531   3HB   ALA  31          3HB       ALA  31  -0.738   7.257   5.276
  532    H    ASN  32           H        ASN  32   1.141   9.351   5.580
  533    HA   ASN  32           HA       ASN  32  -0.404  11.502   6.695
  534   2HB   ASN  32          2HB       ASN  32   2.501  10.707   7.112
  535   1HD2  ASN  32          1HD2      ASN  32   3.540  12.438   8.121
  536   2HD2  ASN  32          2HD2      ASN  32   2.763  13.458   9.326
  537    H    ILE  33           H        ILE  33   2.704  11.619   4.878
  538    HA   ILE  33           HA       ILE  33   2.839  14.490   4.896
  539    HB   ILE  33           HB       ILE  33   3.979  12.786   2.678
  540   2HG1  ILE  33          2HG1      ILE  33   4.611  12.530   5.503
  541   1HG2  ILE  33          1HG2      ILE  33   5.747  14.494   2.605
  542   2HG2  ILE  33          2HG2      ILE  33   4.152  15.179   2.291
  543   3HG2  ILE  33          3HG2      ILE  33   4.908  15.418   3.877
  544   1HD1  ILE  33          1HD1      ILE  33   6.282  11.574   3.165
  545   2HD1  ILE  33          2HD1      ILE  33   5.976  10.774   4.744
  546   3HD1  ILE  33          3HD1      ILE  33   4.685  10.901   3.531
  547    H    LEU  34           H        LEU  34   1.183  12.303   2.727
  548    HA   LEU  34           HA       LEU  34   0.487  14.164   0.630
  549   2HB   LEU  34          2HB       LEU  34  -1.426  12.305   0.468
  550    HG   LEU  34           HG       LEU  34   0.051  12.245  -1.313
  551   1HD1  LEU  34          1HD1      LEU  34   2.328  11.529   0.567
  552   2HD1  LEU  34          2HD1      LEU  34   2.424  11.526  -1.212
  553   3HD1  LEU  34          3HD1      LEU  34   2.109  13.029  -0.343
  554   1HD2  LEU  34          1HD2      LEU  34   0.571   9.636   0.165
  555   2HD2  LEU  34          2HD2      LEU  34  -0.874  10.023  -0.783
  556   3HD2  LEU  34          3HD2      LEU  34   0.698   9.909  -1.583
  557    H    LYS  35           H        LYS  35  -0.657  13.827   3.833
  558    HA   LYS  35           HA       LYS  35  -3.220  15.239   3.296
  559   2HB   LYS  35          2HB       LYS  35  -2.549  13.375   5.156
  560   2HG   LYS  35          2HG       LYS  35  -2.783  15.920   6.810
  561   2HD   LYS  35          2HD       LYS  35  -1.784  14.460   8.573
  562   2HE   LYS  35          2HE       LYS  35  -4.272  13.263   7.272
  563   1HZ   LYS  35          1HZ       LYS  35  -4.766  12.609   9.561
  564   2HZ   LYS  35          2HZ       LYS  35  -3.361  11.922   9.090
  565   3HZ   LYS  35          3HZ       LYS  35  -3.344  13.211  10.093
  566    H    GLU  36           H        GLU  36   0.035  16.138   3.722
  567    HA   GLU  36           HA       GLU  36  -0.596  18.690   5.109
  568   2HB   GLU  36          2HB       GLU  36   1.802  19.063   5.099
  569   2HG   GLU  36          2HG       GLU  36   1.330  16.168   5.904
  570    H    LYS  37           H        LYS  37  -0.487  17.544   1.907
  571    HA   LYS  37           HA       LYS  37  -0.095  20.354   0.861
  572   2HB   LYS  37          2HB       LYS  37   1.937  19.450   0.381
  573   2HG   LYS  37          2HG       LYS  37   0.566  16.854  -0.426
  574   2HD   LYS  37          2HD       LYS  37   3.488  17.746  -0.602
  575   2HE   LYS  37          2HE       LYS  37   2.134  15.053  -0.344
  576   1HZ   LYS  37          1HZ       LYS  37   4.304  14.108  -0.995
  577   2HZ   LYS  37          2HZ       LYS  37   4.891  15.593  -1.347
  578   3HZ   LYS  37          3HZ       LYS  37   3.690  14.954  -2.256
  579    HN2  GLY  38           HN2      GLY  38  -2.005  17.353   0.195
  580   1HA   GLY  38          1HA       GLY  38  -4.212  19.001  -0.077
  581   2HA   GLY  38          2HA       GLY  38  -3.591  18.940  -1.723
  582    H    PHE  39           H        PHE  39  -3.071  15.931  -0.104
  583    HA   PHE  39           HA       PHE  39  -5.068  14.858  -1.997
  584   2HB   PHE  39          2HB       PHE  39  -3.748  12.845  -2.004
  585    HD1  PHE  39           HD1      PHE  39  -3.784  14.389  -4.118
  586    HD2  PHE  39           HD2      PHE  39  -0.761  14.543  -1.059
  587    HE1  PHE  39           HE1      PHE  39  -2.283  15.490  -5.711
  588    HE2  PHE  39           HE2      PHE  39   0.756  15.738  -2.639
  589    HZ   PHE  39           HZ       PHE  39   0.011  16.231  -4.964
  590    H    LYS  40           H        LYS  40  -4.050  14.729   1.291
  591    HA   LYS  40           HA       LYS  40  -4.711  13.491   3.133
  592   2HB   LYS  40          2HB       LYS  40  -5.731  15.098   3.990
  593   2HG   LYS  40          2HG       LYS  40  -7.368  15.899   1.567
  594   2HD   LYS  40          2HD       LYS  40  -7.861  16.865   3.917
  595   2HE   LYS  40          2HE       LYS  40  -5.161  16.875   4.142
  596   1HZ   LYS  40          1HZ       LYS  40  -4.350  19.095   4.004
  597   2HZ   LYS  40          2HZ       LYS  40  -4.936  18.715   2.531
  598   3HZ   LYS  40          3HZ       LYS  40  -5.793  19.707   3.514
  599    H    VAL  41           H        VAL  41  -4.474  11.919   1.509
  600    HA   VAL  41           HA       VAL  41  -6.683   9.873   1.482
  601    HB   VAL  41           HB       VAL  41  -5.637   9.992  -0.639
  602   1HG1  VAL  41          1HG1      VAL  41  -2.963   9.619   0.772
  603   2HG1  VAL  41          2HG1      VAL  41  -3.219   9.566  -0.978
  604   3HG1  VAL  41          3HG1      VAL  41  -3.517  11.064  -0.107
  605   1HG2  VAL  41          1HG2      VAL  41  -4.616   7.698  -0.901
  606   2HG2  VAL  41          2HG2      VAL  41  -4.502   7.558   0.828
  607   3HG2  VAL  41          3HG2      VAL  41  -6.099   7.683   0.054
  608    H    ALA  42           H        ALA  42  -6.585   8.034   2.647
  609    HA   ALA  42           HA       ALA  42  -4.955   7.887   5.070
  610   1HB   ALA  42          1HB       ALA  42  -6.596   6.226   5.745
  611   2HB   ALA  42          2HB       ALA  42  -7.441   7.647   5.111
  612   3HB   ALA  42          3HB       ALA  42  -7.284   6.185   4.110
  613    H    ARG  43           H        ARG  43  -4.251   5.759   5.715
  614    HA   ARG  43           HA       ARG  43  -2.291   4.654   3.957
  615   2HB   ARG  43          2HB       ARG  43  -3.300   3.886   6.712
  616   2HG   ARG  43          2HG       ARG  43  -0.847   2.806   6.707
  617   2HD   ARG  43          2HD       ARG  43  -3.497   1.583   5.999
  618    HE   ARG  43           HE       ARG  43  -0.993   0.278   5.363
  619   1HH1  ARG  43          1HH1      ARG  43  -4.057  -0.528   6.774
  620   2HH1  ARG  43          2HH1      ARG  43  -3.992  -2.156   6.138
  621   1HH2  ARG  43          1HH2      ARG  43  -1.009  -1.557   4.504
  622   2HH2  ARG  43          2HH2      ARG  43  -2.344  -2.711   4.678
  623    H    ARG  44           H        ARG  44  -5.595   3.742   4.287
  624    HA   ARG  44           HA       ARG  44  -5.265   0.892   3.607
  625   2HB   ARG  44          2HB       ARG  44  -7.877   1.461   3.052
  626   2HG   ARG  44          2HG       ARG  44  -7.030  -0.206   4.679
  627   2HD   ARG  44          2HD       ARG  44  -5.642   1.374   6.120
  628    HE   ARG  44           HE       ARG  44  -7.647   3.021   6.552
  629   1HH1  ARG  44          1HH1      ARG  44  -6.732   0.536   8.930
  630   2HH1  ARG  44          2HH1      ARG  44  -7.527   1.489  10.186
  631   1HH2  ARG  44          1HH2      ARG  44  -8.427   4.119   8.345
  632   2HH2  ARG  44          2HH2      ARG  44  -8.348   3.271   9.895
  633    H    THR  45           H        THR  45  -5.824   3.934   1.814
  634    HA   THR  45           HA       THR  45  -6.419   2.691  -0.688
  635    HB   THR  45           HB       THR  45  -5.627   5.534   0.045
  636    HG1  THR  45           HG1      THR  45  -7.510   5.872   0.944
  637   1HG2  THR  45          1HG2      THR  45  -7.552   4.429  -2.033
  638   2HG2  THR  45          2HG2      THR  45  -7.123   6.140  -1.794
  639   3HG2  THR  45          3HG2      THR  45  -5.902   5.002  -2.366
  640    H    VAL  46           H        VAL  46  -3.813   4.557   0.848
  641    HA   VAL  46           HA       VAL  46  -2.292   4.745  -1.456
  642    HB   VAL  46           HB       VAL  46  -2.292   6.024   0.864
  643   1HG1  VAL  46          1HG1      VAL  46  -1.300   4.186   2.170
  644   2HG1  VAL  46          2HG1      VAL  46   0.168   4.264   1.186
  645   3HG1  VAL  46          3HG1      VAL  46  -0.303   5.657   2.156
  646   1HG2  VAL  46          1HG2      VAL  46  -1.150   6.723  -1.263
  647   2HG2  VAL  46          2HG2      VAL  46  -0.285   7.172   0.201
  648   3HG2  VAL  46          3HG2      VAL  46   0.258   5.768  -0.753
  649    H    ALA  47           H        ALA  47  -2.498   2.241   0.965
  650    HA   ALA  47           HA       ALA  47  -0.148   0.743   0.446
  651   1HB   ALA  47          1HB       ALA  47  -2.925  -0.055   1.455
  652   2HB   ALA  47          2HB       ALA  47  -1.485  -1.089   1.543
  653   3HB   ALA  47          3HB       ALA  47  -1.531   0.427   2.463
  654    H    LYS  48           H        LYS  48  -3.448   0.640  -0.764
  655    HA   LYS  48           HA       LYS  48  -3.133  -1.598  -2.570
  656   2HB   LYS  48          2HB       LYS  48  -5.398  -0.729  -3.412
  657   2HG   LYS  48          2HG       LYS  48  -4.951  -1.271  -0.437
  658   2HD   LYS  48          2HD       LYS  48  -7.151  -0.161  -0.717
  659   2HE   LYS  48          2HE       LYS  48  -7.592  -2.450  -2.663
  660   1HZ   LYS  48          1HZ       LYS  48  -9.590  -0.544  -1.544
  661   2HZ   LYS  48          2HZ       LYS  48  -9.875  -1.584  -2.771
  662   3HZ   LYS  48          3HZ       LYS  48  -9.551  -2.152  -1.272
  663    H    TYR  49           H        TYR  49  -2.350   1.721  -2.823
  664    HA   TYR  49           HA       TYR  49  -2.195   1.746  -5.768
  665   2HB   TYR  49          2HB       TYR  49  -1.103   4.074  -5.141
  666    HD1  TYR  49           HD1      TYR  49  -4.424   2.502  -4.270
  667    HD2  TYR  49           HD2      TYR  49  -2.286   5.543  -6.405
  668    HE1  TYR  49           HE1      TYR  49  -6.545   3.172  -5.408
  669    HE2  TYR  49           HE2      TYR  49  -4.419   6.214  -7.586
  670    HH   TYR  49           HH       TYR  49  -7.476   4.952  -6.599
  671    H    ARG  50           H        ARG  50   0.262   2.027  -3.091
  672    HA   ARG  50           HA       ARG  50   2.452   1.825  -4.976
  673   2HB   ARG  50          2HB       ARG  50   2.764   2.643  -2.700
  674   2HG   ARG  50          2HG       ARG  50   1.465   0.376  -1.744
  675   2HD   ARG  50          2HD       ARG  50   3.322  -0.391  -0.097
  676    HE   ARG  50           HE       ARG  50   3.990  -1.703  -2.640
  677   1HH1  ARG  50          1HH1      ARG  50   1.451  -1.410  -0.305
  678   2HH1  ARG  50          2HH1      ARG  50   0.886  -3.040  -0.522
  679   1HH2  ARG  50          1HH2      ARG  50   3.373  -3.788  -2.806
  680   2HH2  ARG  50          2HH2      ARG  50   2.045  -4.413  -1.835
  681    H    GLU  51           H        GLU  51   0.213  -0.509  -3.940
  682    HA   GLU  51           HA       GLU  51   1.734  -2.884  -4.783
  683   2HB   GLU  51          2HB       GLU  51  -1.256  -2.476  -4.410
  684   2HG   GLU  51          2HG       GLU  51   0.419  -5.017  -4.541
  685    H    MET  52           H        MET  52  -0.584  -0.685  -6.362
  686    HA   MET  52           HA       MET  52  -0.726  -2.429  -8.742
  687   2HB   MET  52          2HB       MET  52  -2.708  -1.164  -7.721
  688   2HG   MET  52          2HG       MET  52  -1.635   1.017  -9.567
  689   1HE   MET  52          1HE       MET  52  -4.197   1.111  -6.554
  690   2HE   MET  52          2HE       MET  52  -5.750   1.183  -7.406
  691   3HE   MET  52          3HE       MET  52  -4.800  -0.313  -7.425
  692    H    LEU  53           H        LEU  53   0.827   0.611  -7.871
  693    HA   LEU  53           HA       LEU  53   1.677   1.369 -10.524
  694   2HB   LEU  53          2HB       LEU  53   3.488   2.561  -9.066
  695    HG   LEU  53           HG       LEU  53   1.069   3.410 -10.015
  696   1HD1  LEU  53          1HD1      LEU  53   0.001   4.728  -8.112
  697   2HD1  LEU  53          2HD1      LEU  53  -0.300   2.983  -8.124
  698   3HD1  LEU  53          3HD1      LEU  53   0.867   3.680  -7.002
  699   1HD2  LEU  53          1HD2      LEU  53   2.887   4.965  -8.139
  700   2HD2  LEU  53          2HD2      LEU  53   3.223   4.639  -9.867
  701   3HD2  LEU  53          3HD2      LEU  53   1.873   5.655  -9.420
  702    HN2  GLY  54           HN2      GLY  54   3.697   0.025  -7.897
  703   1HA   GLY  54          1HA       GLY  54   4.534  -2.292  -9.280
  704   2HA   GLY  54          2HA       GLY  54   5.668  -1.033  -9.749
  705    H    ILE  55           H        ILE  55   4.697  -0.679  -6.440
  706    HA   ILE  55           HA       ILE  55   7.457  -1.370  -5.683
  707    HB   ILE  55           HB       ILE  55   5.304   0.311  -4.441
  708   2HG1  ILE  55          2HG1      ILE  55   7.019   0.999  -6.340
  709   1HG2  ILE  55          1HG2      ILE  55   7.944  -0.533  -3.172
  710   2HG2  ILE  55          2HG2      ILE  55   6.904   0.799  -2.583
  711   3HG2  ILE  55          3HG2      ILE  55   6.318  -0.854  -2.532
  712   1HD1  ILE  55          1HD1      ILE  55   7.236   3.272  -5.467
  713   2HD1  ILE  55          2HD1      ILE  55   5.601   2.654  -5.157
  714   3HD1  ILE  55          3HD1      ILE  55   6.790   2.731  -3.836
  715    HA   PRO  56           HA       PRO  56   5.892  -5.130  -3.704
  716   2HB   PRO  56          2HB       PRO  56   7.793  -6.181  -4.399
  717   2HG   PRO  56          2HG       PRO  56   9.811  -5.013  -4.692
  718   2HD   PRO  56          2HD       PRO  56   8.480  -3.372  -5.706
  719    H    SER  57           H        SER  57   8.303  -3.240  -1.923
  720    HA   SER  57           HA       SER  57   6.304  -2.174  -0.142
  721   2HB   SER  57          2HB       SER  57   6.806  -4.373   0.975
  722    HG   SER  57           HG       SER  57   8.759  -4.672   1.904
  723    H    SER  58           H        SER  58   9.339  -2.078  -1.474
  724    HA   SER  58           HA       SER  58  11.165  -0.787  -1.526
  725   2HB   SER  58          2HB       SER  58  11.225   1.519  -0.719
  726    HG   SER  58           HG       SER  58   8.775   1.022  -2.011
  727    H    ARG  59           H        ARG  59   9.995  -1.834   1.569
  728    HA   ARG  59           HA       ARG  59  12.419  -1.220   3.085
  729   2HB   ARG  59          2HB       ARG  59  10.137  -3.228   3.451
  730   2HG   ARG  59          2HG       ARG  59  12.265  -2.282   5.408
  731   2HD   ARG  59          2HD       ARG  59   9.922  -2.483   6.303
  732    HE   ARG  59           HE       ARG  59   9.872  -5.019   5.044
  733   1HH1  ARG  59          1HH1      ARG  59   9.163  -3.811   8.229
  734   2HH1  ARG  59          2HH1      ARG  59   7.911  -5.008   8.514
  735   1HH2  ARG  59          1HH2      ARG  59   8.342  -6.576   5.496
  736   2HH2  ARG  59          2HH2      ARG  59   7.615  -6.611   7.084
  737    H    GLU  60           H        GLU  60  11.062  -3.792   1.118
  738    HA   GLU  60           HA       GLU  60  13.286  -5.567   1.562
  739   2HB   GLU  60          2HB       GLU  60  11.004  -6.374   1.272
  740   2HG   GLU  60          2HG       GLU  60  10.671  -4.823  -0.959
  741    H    ARG  61           H        ARG  61  12.557  -3.173  -0.865
  742    HA   ARG  61           HA       ARG  61  14.709  -3.822  -2.703
  743   2HB   ARG  61          2HB       ARG  61  14.280  -1.584  -3.595
  744   2HG   ARG  61          2HG       ARG  61  11.550  -2.723  -2.854
  745   2HD   ARG  61          2HD       ARG  61  11.116  -2.247  -5.279
  746    HE   ARG  61           HE       ARG  61  11.054  -0.238  -3.415
  747   1HH1  ARG  61          1HH1      ARG  61  12.078  -0.124  -6.807
  748   2HH1  ARG  61          2HH1      ARG  61  11.606   1.582  -6.872
  749   1HH2  ARG  61          1HH2      ARG  61  10.517   1.874  -3.722
  750   2HH2  ARG  61          2HH2      ARG  61  10.846   2.594  -5.314
  751    H    ARG  62           H        ARG  62  14.418  -1.595   0.107
  752    HA   ARG  62           HA       ARG  62  17.015  -0.423  -0.121
  753   2HB   ARG  62          2HB       ARG  62  14.883  -0.659   2.026
  754   2HG   ARG  62          2HG       ARG  62  16.485   1.659   2.428
  755   2HD   ARG  62          2HD       ARG  62  16.223  -0.890   4.045
  756    HE   ARG  62           HE       ARG  62  17.551   1.622   4.651
  757   1HH1  ARG  62          1HH1      ARG  62  15.553  -0.749   6.279
  758   2HH1  ARG  62          2HH1      ARG  62  16.153  -0.289   7.856
  759   1HH2  ARG  62          1HH2      ARG  62  18.290   2.127   6.638
  760   2HH2  ARG  62          2HH2      ARG  62  17.662   1.306   8.047
  761    H    ILE  63           H        ILE  63  15.802  -2.822   2.192
  762    HA   ILE  63           HA       ILE  63  18.094  -2.989   3.748
  763    HB   ILE  63           HB       ILE  63  15.757  -3.768   4.297
  764   2HG1  ILE  63          2HG1      ILE  63  18.048  -5.601   5.111
  765   1HG2  ILE  63          1HG2      ILE  63  16.626  -6.435   3.114
  766   2HG2  ILE  63          2HG2      ILE  63  15.066  -6.024   3.856
  767   3HG2  ILE  63          3HG2      ILE  63  15.527  -5.306   2.304
  768   1HD1  ILE  63          1HD1      ILE  63  17.922  -4.292   7.235
  769   2HD1  ILE  63          2HD1      ILE  63  18.414  -3.272   5.875
  770   3HD1  ILE  63          3HD1      ILE  63  16.745  -3.199   6.486
  Start of MODEL    2
    1   1H5*    T  64          1H5*        T  64   9.741  -2.655  19.339
    2   2H5*    T  64          2H5*        T  64   9.301  -1.044  18.767
    3    H4*    T  64           H4*        T  64  10.659  -2.113  17.124
    4    H3*    T  64           H3*        T  64   7.788  -1.894  16.223
    5   1H2*    T  64          1H2*        T  64   8.432  -2.814  14.185
    6   2H2*    T  64          2H2*        T  64  10.168  -2.463  14.455
    7    H1*    T  64           H1*        T  64  10.272  -4.625  15.112
    8    H3     T  64           H3         T  64   7.109  -7.414  13.617
    9   1H5M    T  64          1H5M        T  64   5.006  -4.683  17.776
   10   2H5M    T  64          2H5M        T  64   4.142  -6.028  17.005
   11   3H5M    T  64          3H5M        T  64   5.361  -6.358  18.254
   12    H6     T  64           H6         T  64   7.298  -4.154  17.155
   13    H5T    T  64           H5T        T  64   7.516  -2.156  19.726
   14   1H5*    T  65          1H5*        T  65  10.338  -0.603  13.143
   15   2H5*    T  65          2H5*        T  65   9.813   0.838  12.261
   16    H4*    T  65           H4*        T  65  10.116  -1.199  10.793
   17    H3*    T  65           H3*        T  65   7.557   0.294  11.011
   18   1H2*    T  65          1H2*        T  65   6.217  -1.338  10.403
   19   2H2*    T  65          2H2*        T  65   7.253  -1.823   9.030
   20    H1*    T  65           H1*        T  65   8.310  -3.416  10.165
   21    H3     T  65           H3         T  65   4.803  -6.121  11.134
   22   1H5M    T  65          1H5M        T  65   3.930  -2.226  14.393
   23   2H5M    T  65          2H5M        T  65   3.958  -3.830  15.153
   24   3H5M    T  65          3H5M        T  65   5.374  -2.772  15.276
   25    H6     T  65           H6         T  65   6.516  -2.080  13.135
   26   1H5*    T  66          1H5*        T  66   8.655  -1.467   6.919
   27   2H5*    T  66          2H5*        T  66   8.372  -0.302   5.615
   28    H4*    T  66           H4*        T  66   7.496  -2.477   4.925
   29    H3*    T  66           H3*        T  66   5.942  -0.146   4.898
   30   1H2*    T  66          1H2*        T  66   4.584  -0.753   6.662
   31   2H2*    T  66          2H2*        T  66   3.640  -1.550   5.399
   32    H1*    T  66           H1*        T  66   4.768  -3.647   5.720
   33    H3     T  66           H3         T  66   2.281  -5.550   8.960
   34   1H5M    T  66          1H5M        T  66   4.040  -1.514  11.569
   35   2H5M    T  66          2H5M        T  66   3.183  -0.463  10.421
   36   3H5M    T  66          3H5M        T  66   2.271  -1.577  11.451
   37    H6     T  66           H6         T  66   4.633  -1.347   8.681
   38   1H5*    T  67          1H5*        T  67   4.647  -4.159   3.647
   39   2H5*    T  67          2H5*        T  67   4.213  -4.105   1.939
   40    H4*    T  67           H4*        T  67   3.070  -5.946   3.010
   41    H3*    T  67           H3*        T  67   1.835  -3.933   1.487
   42   1H2*    T  67          1H2*        T  67   0.676  -3.009   3.369
   43   2H2*    T  67          2H2*        T  67  -0.535  -4.247   2.902
   44    H1*    T  67           H1*        T  67   0.487  -5.893   4.354
   45    H3     T  67           H3         T  67  -1.945  -4.996   8.043
   46   1H5M    T  67          1H5M        T  67   0.157  -0.418   7.498
   47   2H5M    T  67          2H5M        T  67   0.686  -1.218   8.992
   48   3H5M    T  67          3H5M        T  67   1.788  -1.119   7.613
   49    H6     T  67           H6         T  67   1.482  -2.545   5.699
   50   1H5*    G  68          1H5*        G  68   0.190  -8.476   1.673
   51   2H5*    G  68          2H5*        G  68  -0.259  -8.804  -0.001
   52    H4*    G  68           H4*        G  68  -1.424 -10.298   1.503
   53    H3*    G  68           H3*        G  68  -2.730  -8.934  -0.499
   54    H1*    G  68           H1*        G  68  -4.217  -9.121   3.093
   55    H8     G  68           H8         G  68  -2.517  -5.711   2.251
   56    H1     G  68           H1         G  68  -5.882  -5.888   7.769
   57   1H2     G  68          1H2         G  68  -7.066  -7.826   7.749
   58   2H2     G  68          2H2         G  68  -6.628  -9.104   6.622
   59   1H2*    G  68          1H2*        G  68  -3.629  -7.215   0.814
   60   2H2*    G  68          2H2*        G  68  -4.966  -8.378   0.999
   61   1H5*    G  69          1H5*        G  69  -5.651 -11.593   2.193
   62   2H5*    G  69          2H5*        G  69  -6.514 -12.638   1.059
   63    H4*    G  69           H4*        G  69  -8.004 -12.103   2.837
   64    H3*    G  69           H3*        G  69  -8.668 -11.485   0.150
   65    H1*    G  69           H1*        G  69  -9.628  -9.538   3.281
   66    H8     G  69           H8         G  69  -7.228  -7.438   1.047
   67    H1     G  69           H1         G  69  -9.360  -4.419   6.335
   68   1H2     G  69          1H2         G  69 -10.856  -5.740   7.360
   69   2H2     G  69          2H2         G  69 -11.187  -7.348   6.726
   70   1H2*    G  69          1H2*        G  69  -8.552  -9.174   0.448
   71   2H2*    G  69          2H2*        G  69 -10.247  -9.400   0.957
   72   1H5*    C  70          1H5*        C  70 -11.912 -11.387   3.557
   73   2H5*    C  70          2H5*        C  70 -13.409 -12.134   2.986
   74    H4*    C  70           H4*        C  70 -13.911 -10.357   4.536
   75    H3*    C  70           H3*        C  70 -15.016 -10.406   1.903
   76    H1*    C  70           H1*        C  70 -14.190  -7.496   4.133
   77   1H4     C  70          1H4         C  70 -10.546  -2.670   2.466
   78   2H4     C  70          2H4         C  70  -9.673  -3.583   1.232
   79    H5     C  70           H5         C  70 -10.183  -5.893   0.779
   80    H6     C  70           H6         C  70 -11.676  -7.775   1.378
   81   1H2*    C  70          1H2*        C  70 -13.940  -8.442   1.239
   82   2H2*    C  70          2H2*        C  70 -15.354  -7.684   2.022
   83   1H5*    A  71          1H5*        A  71 -17.283  -7.996   5.493
   84   2H5*    A  71          2H5*        A  71 -19.022  -8.003   5.172
   85    H4*    A  71           H4*        A  71 -18.298  -5.869   6.148
   86    H3*    A  71           H3*        A  71 -19.292  -5.798   3.297
   87    H1*    A  71           H1*        A  71 -16.639  -3.441   4.958
   88    H8     A  71           H8         A  71 -16.665  -5.893   1.961
   89   1H6     A  71          1H6         A  71 -12.842  -1.440  -0.367
   90   2H6     A  71          2H6         A  71 -13.401  -3.081  -0.747
   91    H2     A  71           H2         A  71 -14.545   0.044   3.219
   92   1H2*    A  71          1H2*        A  71 -18.783  -3.512   3.135
   93   2H2*    A  71          2H2*        A  71 -18.842  -3.291   4.909
   94   1H5*    C  72          1H5*        C  72 -20.756  -2.907   6.567
   95   2H5*    C  72          2H5*        C  72 -22.404  -2.321   6.314
   96    H4*    C  72           H4*        C  72 -20.930  -0.464   6.895
   97    H3*    C  72           H3*        C  72 -21.821  -0.466   4.003
   98    H1*    C  72           H1*        C  72 -18.623   1.037   5.536
   99   1H4     C  72          1H4         C  72 -15.691   0.324  -0.056
  100   2H4     C  72          2H4         C  72 -16.986  -0.643  -0.638
  101    H5     C  72           H5         C  72 -18.716  -1.554   0.766
  102    H6     C  72           H6         C  72 -19.890  -1.236   2.910
  103   1H2*    C  72          1H2*        C  72 -20.714   1.557   3.732
  104   2H2*    C  72          2H2*        C  72 -20.685   1.910   5.490
  105   1H5*    G  73          1H5*        G  73 -22.497   3.355   5.828
  106   2H5*    G  73          2H5*        G  73 -23.919   4.247   5.254
  107    H4*    G  73           H4*        G  73 -21.840   5.575   5.123
  108    H3*    G  73           H3*        G  73 -23.138   4.894   2.480
  109    H1*    G  73           H1*        G  73 -19.307   5.200   2.968
  110    H8     G  73           H8         G  73 -22.009   2.607   2.204
  111    H1     G  73           H1         G  73 -17.014   2.839  -1.880
  112   1H2     G  73          1H2         G  73 -16.280   4.968  -1.913
  113   2H2     G  73          2H2         G  73 -16.700   6.018  -0.560
  114   1H2*    G  73          1H2*        G  73 -21.354   6.111   1.425
  115   2H2*    G  73          2H2*        G  73 -20.866   6.871   2.970
  116   1H5*    T  74          1H5*        T  74 -21.653   8.865   2.527
  117   2H5*    T  74          2H5*        T  74 -22.678  10.112   1.799
  118    H4*    T  74           H4*        T  74 -20.332  10.067   0.849
  119    H3*    T  74           H3*        T  74 -22.618   9.388  -1.014
  120   1H2*    T  74          1H2*        T  74 -21.003   9.151  -2.733
  121   2H2*    T  74          2H2*        T  74 -19.776  10.073  -1.817
  122    H1*    T  74           H1*        T  74 -18.996   8.145  -1.100
  123    H3     T  74           H3         T  74 -19.732   4.644  -3.986
  124   1H5M    T  74          1H5M        T  74 -23.543   4.860  -0.115
  125   2H5M    T  74          2H5M        T  74 -24.195   4.639  -1.753
  126   3H5M    T  74          3H5M        T  74 -23.208   3.365  -1.003
  127    H6     T  74           H6         T  74 -22.180   6.828  -0.470
  128   1H5*    T  75          1H5*        T  75 -19.643  12.033  -2.619
  129   2H5*    T  75          2H5*        T  75 -20.284  13.447  -3.443
  130    H4*    T  75           H4*        T  75 -18.572  12.285  -4.780
  131    H3*    T  75           H3*        T  75 -21.183  13.059  -5.647
  132   1H2*    T  75          1H2*        T  75 -21.962  11.163  -6.377
  133   2H2*    T  75          2H2*        T  75 -20.840  11.277  -7.743
  134    H1*    T  75           H1*        T  75 -19.336   9.869  -6.845
  135    H3     T  75           H3         T  75 -21.080   5.662  -6.766
  136   1H5M    T  75          1H5M        T  75 -23.659   7.492  -2.939
  137   2H5M    T  75          2H5M        T  75 -24.174   8.980  -3.757
  138   3H5M    T  75          3H5M        T  75 -24.780   7.410  -4.315
  139    H6     T  75           H6         T  75 -22.104   9.875  -4.674
  140   1H5*    T  76          1H5*        T  76 -17.820  11.949  -8.599
  141   2H5*    T  76          2H5*        T  76 -17.626  13.053  -9.968
  142    H4*    T  76           H4*        T  76 -17.297  10.727 -10.687
  143    H3*    T  76           H3*        T  76 -19.543  12.340 -11.754
  144   1H2*    T  76          1H2*        T  76 -20.965  10.639 -12.059
  145   2H2*    T  76          2H2*        T  76 -19.735   9.729 -12.973
  146    H1*    T  76           H1*        T  76 -19.072   8.478 -11.272
  147    H3     T  76           H3         T  76 -22.519   5.954  -9.643
  148   1H5M    T  76          1H5M        T  76 -24.781  10.102  -8.575
  149   2H5M    T  76          2H5M        T  76 -23.727   9.874  -7.154
  150   3H5M    T  76          3H5M        T  76 -23.363  11.155  -8.320
  151    H6     T  76           H6         T  76 -21.612  10.688  -9.728
  152   1H5*    C  77          1H5*        C  77 -17.425   9.317 -14.605
  153   2H5*    C  77          2H5*        C  77 -17.473   9.833 -16.296
  154    H4*    C  77           H4*        C  77 -18.212   7.549 -16.215
  155    H3*    C  77           H3*        C  77 -20.628   9.352 -16.498
  156    H1*    C  77           H1*        C  77 -20.240   5.789 -14.995
  157   1H4     C  77          1H4         C  77 -25.420   7.127 -11.624
  158   2H4     C  77          2H4         C  77 -25.144   8.876 -11.701
  159    H5     C  77           H5         C  77 -23.278   9.816 -12.936
  160    H6     C  77           H6         C  77 -21.294   9.197 -14.352
  161    H3T    C  77           H3T        C  77 -19.166   9.408 -18.282
  162   1H2*    C  77          1H2*        C  77 -21.892   7.382 -16.687
  163   2H2*    C  77          2H2*        C  77 -20.476   6.402 -17.173
  164   1H5*    G  78          1H5*        G  78 -32.212  -2.129 -12.438
  165   2H5*    G  78          2H5*        G  78 -32.143  -0.458 -11.850
  166    H4*    G  78           H4*        G  78 -30.739  -1.480 -14.368
  167    H3*    G  78           H3*        G  78 -29.719  -0.950 -11.540
  168    H1*    G  78           H1*        G  78 -28.806   0.863 -14.835
  169    H8     G  78           H8         G  78 -30.336   1.893 -11.540
  170    H1     G  78           H1         G  78 -24.868   5.007 -12.934
  171   1H2     G  78          1H2         G  78 -23.772   3.825 -14.455
  172   2H2     G  78          2H2         G  78 -24.561   2.467 -15.263
  173   1H2*    G  78          1H2*        G  78 -27.734  -0.242 -12.464
  174   2H2*    G  78          2H2*        G  78 -28.004  -1.095 -14.022
  175    H5T    G  78           H5T        G  78 -33.041   0.155 -13.949
  176   1H5*    A  79          1H5*        A  79 -26.779  -2.978 -13.763
  177   2H5*    A  79          2H5*        A  79 -25.919  -4.243 -12.874
  178    H4*    A  79           H4*        A  79 -24.370  -2.507 -13.805
  179    H3*    A  79           H3*        A  79 -24.560  -2.911 -10.837
  180    H1*    A  79           H1*        A  79 -23.620   0.298 -12.948
  181    H8     A  79           H8         A  79 -26.560  -0.258 -10.578
  182   1H6     A  79          1H6         A  79 -24.809   5.376  -8.336
  183   2H6     A  79          2H6         A  79 -26.106   4.178  -8.180
  184    H2     A  79           H2         A  79 -21.760   4.074 -10.989
  185   1H2*    A  79          1H2*        A  79 -23.248  -1.073 -10.432
  186   2H2*    A  79          2H2*        A  79 -22.359  -1.249 -11.973
  187   1H5*    A  80          1H5*        A  80 -20.817  -2.662 -13.325
  188   2H5*    A  80          2H5*        A  80 -19.411  -3.630 -12.850
  189    H4*    A  80           H4*        A  80 -18.836  -1.204 -13.394
  190    H3*    A  80           H3*        A  80 -18.314  -2.216 -10.571
  191    H1*    A  80           H1*        A  80 -19.164   1.366 -11.770
  192    H8     A  80           H8         A  80 -20.914  -1.272  -9.625
  193   1H6     A  80          1H6         A  80 -22.585   3.711  -6.148
  194   2H6     A  80          2H6         A  80 -22.878   1.978  -6.319
  195    H2     A  80           H2         A  80 -19.661   5.012  -9.000
  196   1H2*    A  80          1H2*        A  80 -17.685  -0.117  -9.999
  197   2H2*    A  80          2H2*        A  80 -17.246   0.358 -11.663
  198   1H5*    A  81          1H5*        A  81 -15.073   0.161 -12.316
  199   2H5*    A  81          2H5*        A  81 -13.448  -0.374 -11.857
  200    H4*    A  81           H4*        A  81 -13.877   2.038 -11.243
  201    H3*    A  81           H3*        A  81 -13.232  -0.044  -9.200
  202    H1*    A  81           H1*        A  81 -15.290   3.293  -8.945
  203    H8     A  81           H8         A  81 -16.482  -0.343  -8.397
  204   1H6     A  81          1H6         A  81 -20.375   2.265  -4.223
  205   2H6     A  81          2H6         A  81 -19.840   0.706  -4.852
  206    H2     A  81           H2         A  81 -18.074   5.435  -6.045
  207   1H2*    A  81          1H2*        A  81 -14.071   1.087  -7.463
  208   2H2*    A  81          2H2*        A  81 -13.430   2.648  -8.050
  209   1H5*    C  82          1H5*        C  82 -11.544   4.225  -9.124
  210   2H5*    C  82          2H5*        C  82  -9.949   4.430  -8.392
  211    H4*    C  82           H4*        C  82 -11.475   6.156  -7.595
  212    H3*    C  82           H3*        C  82 -10.714   4.092  -5.521
  213    H1*    C  82           H1*        C  82 -14.011   6.067  -5.629
  214   1H4     C  82          1H4         C  82 -17.355   1.650  -3.004
  215   2H4     C  82          2H4         C  82 -16.259   0.452  -3.598
  216    H5     C  82           H5         C  82 -14.389   0.914  -5.039
  217    H6     C  82           H6         C  82 -12.952   2.657  -5.906
  218   1H2*    C  82          1H2*        C  82 -11.977   5.332  -3.931
  219   2H2*    C  82          2H2*        C  82 -11.969   6.789  -4.946
  220   1H5*    G  83          1H5*        G  83  -9.884   8.286  -3.623
  221   2H5*    G  83          2H5*        G  83  -8.386   8.052  -2.724
  222    H4*    G  83           H4*        G  83 -10.104   9.109  -1.419
  223    H3*    G  83           H3*        G  83  -8.508   7.587  -0.216
  224    H1*    G  83           H1*        G  83 -12.203   6.704   0.251
  225    H8     G  83           H8         G  83 -10.451   4.395  -2.339
  226    H1     G  83           H1         G  83 -15.590   1.826   0.569
  227   1H2     G  83          1H2         G  83 -16.069   3.118   2.346
  228   2H2     G  83          2H2         G  83 -15.348   4.718   2.490
  229   1H2*    G  83          1H2*        G  83  -9.568   5.497  -0.620
  230   2H2*    G  83          2H2*        G  83 -10.164   5.846   1.025
  231   1H5*    T  84          1H5*        T  84 -12.135   7.581   3.155
  232   2H5*    T  84          2H5*        T  84 -11.240   8.173   4.570
  233    H4*    T  84           H4*        T  84 -12.413   6.186   5.254
  234    H3*    T  84           H3*        T  84  -9.573   6.331   5.454
  235   1H2*    T  84          1H2*        T  84  -9.212   4.822   3.701
  236   2H2*    T  84          2H2*        T  84  -9.286   3.666   5.074
  237    H1*    T  84           H1*        T  84 -11.660   3.380   4.791
  238    H3     T  84           H3         T  84 -12.770   0.356   1.653
  239   1H5M    T  84          1H5M        T  84  -9.354   1.755  -1.174
  240   2H5M    T  84          2H5M        T  84  -8.687   3.167  -0.363
  241   3H5M    T  84          3H5M        T  84  -8.131   1.539   0.099
  242    H6     T  84           H6         T  84  -9.345   3.739   1.859
  243   1H5*    G  85          1H5*        G  85 -13.150   5.318   8.903
  244   2H5*    G  85          2H5*        G  85 -12.580   5.401  10.574
  245    H4*    G  85           H4*        G  85 -13.777   3.323  10.273
  246    H3*    G  85           H3*        G  85 -10.796   3.053  10.522
  247    H1*    G  85           H1*        G  85 -13.505   0.845   8.719
  248    H8     G  85           H8         G  85 -10.374   2.574   7.257
  249    H1     G  85           H1         G  85 -12.200  -2.869   4.299
  250   1H2     G  85          1H2         G  85 -13.775  -3.853   5.564
  251   2H2     G  85          2H2         G  85 -14.334  -3.071   7.044
  252   1H2*    G  85          1H2*        G  85 -10.737   0.964   9.716
  253   2H2*    G  85          2H2*        G  85 -12.244   0.472  10.542
  254   1H5*    C  86          1H5*        C  86 -13.301  -0.029  12.874
  255   2H5*    C  86          2H5*        C  86 -12.566  -0.343  14.452
  256    H4*    C  86           H4*        C  86 -13.193  -2.441  13.349
  257    H3*    C  86           H3*        C  86 -10.375  -1.847  14.016
  258    H1*    C  86           H1*        C  86 -11.953  -4.066  11.162
  259   1H4     C  86          1H4         C  86  -8.794  -2.650   5.850
  260   2H4     C  86          2H4         C  86  -8.176  -1.203   6.569
  261    H5     C  86           H5         C  86  -8.668  -0.436   8.751
  262    H6     C  86           H6         C  86  -9.808  -1.038  10.854
  263   1H2*    C  86          1H2*        C  86  -9.430  -2.962  12.314
  264   2H2*    C  86          2H2*        C  86 -10.348  -4.431  12.705
  265   1H5*    C  87          1H5*        C  87 -11.867  -6.273  14.505
  266   2H5*    C  87          2H5*        C  87 -10.986  -7.122  15.784
  267    H4*    C  87           H4*        C  87 -11.055  -8.504  13.793
  268    H3*    C  87           H3*        C  87  -8.312  -7.302  14.288
  269    H1*    C  87           H1*        C  87 -10.008  -8.458  10.995
  270   1H4     C  87          1H4         C  87  -6.921  -4.206   7.539
  271   2H4     C  87          2H4         C  87  -6.477  -3.302   8.971
  272    H5     C  87           H5         C  87  -6.919  -3.972  11.098
  273    H6     C  87           H6         C  87  -8.088  -5.638  12.552
  274   1H2*    C  87          1H2*        C  87  -7.549  -8.554  12.413
  275   2H2*    C  87          2H2*        C  87  -8.924  -9.681  12.510
  276   1H5*    A  88          1H5*        A  88  -8.068 -11.399  13.577
  277   2H5*    A  88          2H5*        A  88  -7.036 -12.333  14.654
  278    H4*    A  88           H4*        A  88  -6.618 -12.688  12.219
  279    H3*    A  88           H3*        A  88  -4.693 -12.519  14.228
  280    H1*    A  88           H1*        A  88  -4.292 -10.796  10.739
  281    H8     A  88           H8         A  88  -5.353  -8.401  13.634
  282   1H6     A  88          1H6         A  88  -2.876  -3.977   9.951
  283   2H6     A  88          2H6         A  88  -3.738  -4.222  11.472
  284    H2     A  88           H2         A  88  -2.495  -7.727   7.873
  285   1H2*    A  88          1H2*        A  88  -3.901 -10.405  13.718
  286   2H2*    A  88          2H2*        A  88  -2.882 -11.291  12.557
  287   1H5*    A  89          1H5*        A  89  -3.737 -13.682   9.837
  288   2H5*    A  89          2H5*        A  89  -2.923 -15.248   9.875
  289    H4*    A  89           H4*        A  89  -2.347 -14.028   7.852
  290    H3*    A  89           H3*        A  89  -0.482 -15.219   9.533
  291    H1*    A  89           H1*        A  89   0.057 -11.754   7.949
  292    H8     A  89           H8         A  89  -0.638 -11.668  11.787
  293   1H6     A  89          1H6         A  89   0.761  -5.589  11.158
  294   2H6     A  89          2H6         A  89   0.296  -6.807  12.353
  295    H2     A  89           H2         A  89   0.793  -7.348   7.221
  296   1H2*    A  89          1H2*        A  89   0.347 -13.309  10.528
  297   2H2*    A  89          2H2*        A  89   1.400 -13.280   9.087
  298   1H5*    A  90          1H5*        A  90   1.610 -13.370   5.634
  299   2H5*    A  90          2H5*        A  90   2.520 -14.723   4.948
  300    H4*    A  90           H4*        A  90   3.781 -12.725   4.597
  301    H3*    A  90           H3*        A  90   4.871 -14.927   5.992
  302    H1*    A  90           H1*        A  90   5.523 -11.195   6.814
  303    H8     A  90           H8         A  90   3.581 -13.141   9.582
  304   1H6     A  90          1H6         A  90   3.262  -7.487  12.302
  305   2H6     A  90          2H6         A  90   2.723  -9.157  12.489
  306    H2     A  90           H2         A  90   5.568  -7.069   8.705
  307   1H2*    A  90          1H2*        A  90   5.011 -13.925   8.055
  308   2H2*    A  90          2H2*        A  90   6.533 -13.250   7.416
  309   1H5*    A  91          1H5*        A  91   8.067 -11.701   4.286
  310   2H5*    A  91          2H5*        A  91   9.606 -12.518   3.988
  311    H4*    A  91           H4*        A  91  10.062 -10.422   5.096
  312    H3*    A  91           H3*        A  91  10.301 -12.757   7.042
  313    H1*    A  91           H1*        A  91   9.448  -9.043   7.649
  314    H8     A  91           H8         A  91   8.356 -12.579   8.731
  315   1H6     A  91          1H6         A  91   5.882  -9.373  13.579
  316   2H6     A  91          2H6         A  91   6.028 -11.014  12.950
  317    H2     A  91           H2         A  91   7.962  -6.595  11.066
  318    H3T    A  91           H3T        A  91  11.862 -12.724   5.336
  319   1H2*    A  91          1H2*        A  91  11.000 -11.221   8.668
  320   2H2*    A  91          2H2*        A  91  11.489 -10.003   7.450
  321   1H    HIS   1          1H        HIS   1 -15.095   8.678  -2.529
  322   2H    HIS   1          2H        HIS   1 -15.007   7.646  -3.796
  323   3H    HIS   1          3H        HIS   1 -15.735   9.116  -3.966
  324    HA   HIS   1           HA       HIS   1 -12.882   8.654  -3.431
  325   2HB   HIS   1          2HB       HIS   1 -13.803   8.243  -5.841
  326    HD1  HIS   1           HD1      HIS   1 -12.260  11.496  -6.796
  327    HD2  HIS   1           HD2      HIS   1 -16.140   9.864  -6.304
  328    HE1  HIS   1           HE1      HIS   1 -13.850  13.052  -7.997
  329    H    MET   2           H        MET   2 -11.583  10.621  -3.736
  330    HA   MET   2           HA       MET   2 -12.936  13.187  -3.049
  331   2HB   MET   2          2HB       MET   2 -10.642  11.982  -1.441
  332   2HG   MET   2          2HG       MET   2 -11.451  14.002   0.076
  333   1HE   MET   2          1HE       MET   2 -10.358  16.798  -1.483
  334   2HE   MET   2          2HE       MET   2 -10.114  16.397   0.230
  335   3HE   MET   2          3HE       MET   2  -8.717  16.784  -0.796
  336    H    LEU   3           H        LEU   3  -9.952  11.555  -4.176
  337    HA   LEU   3           HA       LEU   3  -8.904  14.043  -5.352
  338   2HB   LEU   3          2HB       LEU   3  -6.955  12.435  -5.825
  339    HG   LEU   3           HG       LEU   3  -7.734  12.475  -2.894
  340   1HD1  LEU   3          1HD1      LEU   3  -5.669  11.171  -3.959
  341   2HD1  LEU   3          2HD1      LEU   3  -4.935  12.754  -4.005
  342   3HD1  LEU   3          3HD1      LEU   3  -5.501  12.081  -2.441
  343   1HD2  LEU   3          1HD2      LEU   3  -6.413  14.603  -4.630
  344   2HD2  LEU   3          2HD2      LEU   3  -7.893  14.782  -3.666
  345   3HD2  LEU   3          3HD2      LEU   3  -6.356  14.599  -2.850
  346    H    THR   4           H        THR   4  -7.660  13.573  -7.417
  347    HA   THR   4           HA       THR   4  -9.557  12.969  -9.594
  348    HB   THR   4           HB       THR   4  -7.743  13.540 -11.117
  349    HG1  THR   4           HG1      THR   4  -5.782  14.281 -10.177
  350   1HG2  THR   4          1HG2      THR   4  -7.371  15.866 -10.529
  351   2HG2  THR   4          2HG2      THR   4  -9.051  15.396 -10.216
  352   3HG2  THR   4          3HG2      THR   4  -7.915  15.563  -8.864
  353    H    GLN   5           H        GLN   5  -8.265  11.715 -11.510
  354    HA   GLN   5           HA       GLN   5  -8.387   8.977 -11.018
  355   2HB   GLN   5          2HB       GLN   5  -8.472  10.074 -13.209
  356   2HG   GLN   5          2HG       GLN   5  -5.433  10.258 -13.044
  357   1HE2  GLN   5          1HE2      GLN   5  -7.587  12.205 -15.109
  358   2HE2  GLN   5          2HE2      GLN   5  -7.059  11.430 -16.601
  359    HN2  GLY   6           HN2      GLY   6  -5.618  11.081 -10.315
  360   1HA   GLY   6          1HA       GLY   6  -4.470   8.967  -8.742
  361   2HA   GLY   6          2HA       GLY   6  -3.534   9.267 -10.213
  362    H    GLU   7           H        GLU   7  -5.154  11.796  -8.052
  363    HA   GLU   7           HA       GLU   7  -2.847  13.410  -8.042
  364   2HB   GLU   7          2HB       GLU   7  -4.486  13.940  -5.753
  365   2HG   GLU   7          2HG       GLU   7  -4.488  15.239  -8.493
  366    H    LEU   8           H        LEU   8  -3.508  10.576  -6.253
  367    HA   LEU   8           HA       LEU   8  -1.158  11.121  -4.471
  368   2HB   LEU   8          2HB       LEU   8  -3.367  10.703  -3.394
  369    HG   LEU   8           HG       LEU   8  -3.677   8.535  -5.088
  370   1HD1  LEU   8          1HD1      LEU   8  -2.844   7.526  -2.313
  371   2HD1  LEU   8          2HD1      LEU   8  -3.447   6.506  -3.613
  372   3HD1  LEU   8          3HD1      LEU   8  -1.868   7.300  -3.785
  373   1HD2  LEU   8          1HD2      LEU   8  -5.322   7.682  -3.148
  374   2HD2  LEU   8          2HD2      LEU   8  -5.010   9.330  -2.560
  375   3HD2  LEU   8          3HD2      LEU   8  -5.666   9.051  -4.190
  376    H    MET   9           H        MET   9  -2.084   9.423  -7.261
  377    HA   MET   9           HA       MET   9  -0.470   6.991  -6.860
  378   2HB   MET   9          2HB       MET   9  -2.573   7.852  -8.692
  379   2HG   MET   9          2HG       MET   9  -0.231   6.425  -9.897
  380   1HE   MET   9          1HE       MET   9  -0.257   5.402 -12.318
  381   2HE   MET   9          2HE       MET   9  -1.661   5.474 -13.405
  382   3HE   MET   9          3HE       MET   9  -0.834   6.972 -12.919
  383    H    LYS  10           H        LYS  10  -0.362   9.732  -9.107
  384    HA   LYS  10           HA       LYS  10   2.315   8.981 -10.057
  385   2HB   LYS  10          2HB       LYS  10   0.639   9.777 -11.580
  386   2HG   LYS  10          2HG       LYS  10   0.807  12.637 -10.789
  387   2HD   LYS  10          2HD       LYS  10  -1.638  10.942 -11.469
  388   2HE   LYS  10          2HE       LYS  10  -2.036  13.169 -10.438
  389   1HZ   LYS  10          1HZ       LYS  10  -0.849  14.201 -12.964
  390   2HZ   LYS  10          2HZ       LYS  10  -1.640  15.105 -11.861
  391   3HZ   LYS  10          3HZ       LYS  10  -0.212  14.417 -11.475
  392    H    LEU  11           H        LEU  11   1.993   9.711  -7.266
  393    HA   LEU  11           HA       LEU  11   3.955  11.911  -6.828
  394   2HB   LEU  11          2HB       LEU  11   2.607  12.457  -4.767
  395    HG   LEU  11           HG       LEU  11   0.838  13.761  -5.648
  396   1HD1  LEU  11          1HD1      LEU  11   3.128  13.774  -7.645
  397   2HD1  LEU  11          2HD1      LEU  11   2.019  15.118  -7.299
  398   3HD1  LEU  11          3HD1      LEU  11   3.152  14.556  -6.047
  399   1HD2  LEU  11          1HD2      LEU  11  -0.154  13.574  -7.769
  400   2HD2  LEU  11          2HD2      LEU  11   1.232  12.708  -8.428
  401   3HD2  LEU  11          3HD2      LEU  11   0.116  11.871  -7.339
  402    H    ILE  12           H        ILE  12   2.438   8.839  -5.616
  403    HA   ILE  12           HA       ILE  12   4.097   8.798  -3.236
  404    HB   ILE  12           HB       ILE  12   3.620   6.319  -3.238
  405   2HG1  ILE  12          2HG1      ILE  12   2.853   6.547  -5.881
  406   1HG2  ILE  12          1HG2      ILE  12   1.183   6.708  -2.632
  407   2HG2  ILE  12          2HG2      ILE  12   2.388   7.715  -1.794
  408   3HG2  ILE  12          3HG2      ILE  12   1.425   8.394  -3.108
  409   1HD1  ILE  12          1HD1      ILE  12   1.694   4.325  -5.502
  410   2HD1  ILE  12          2HD1      ILE  12   3.282   4.402  -4.723
  411   3HD1  ILE  12          3HD1      ILE  12   1.794   4.593  -3.764
  412    H    LYS  13           H        LYS  13   4.612   7.749  -6.525
  413    HA   LYS  13           HA       LYS  13   7.225   6.456  -5.780
  414   2HB   LYS  13          2HB       LYS  13   5.958   5.198  -7.278
  415   2HG   LYS  13          2HG       LYS  13   4.519   6.962  -8.326
  416   2HD   LYS  13          2HD       LYS  13   6.092   8.626  -9.199
  417   2HE   LYS  13          2HE       LYS  13   7.154   6.331 -10.907
  418   1HZ   LYS  13          1HZ       LYS  13   7.779   9.243 -11.019
  419   2HZ   LYS  13          2HZ       LYS  13   8.572   8.078 -11.850
  420   3HZ   LYS  13          3HZ       LYS  13   7.004   8.386 -12.176
  421    H    GLU  14           H        GLU  14   6.229   9.487  -6.459
  422    HA   GLU  14           HA       GLU  14   8.571  10.365  -8.067
  423   2HB   GLU  14          2HB       GLU  14   6.154  12.017  -7.258
  424   2HG   GLU  14          2HG       GLU  14   7.947  13.323  -8.317
  425    H    ILE  15           H        ILE  15   7.365  10.419  -4.807
  426    HA   ILE  15           HA       ILE  15   9.547  12.273  -3.996
  427    HB   ILE  15           HB       ILE  15   8.491  12.513  -1.891
  428   2HG1  ILE  15          2HG1      ILE  15   6.804  10.203  -2.719
  429   1HG2  ILE  15          1HG2      ILE  15   6.415  12.955  -4.068
  430   2HG2  ILE  15          2HG2      ILE  15   6.546  13.806  -2.519
  431   3HG2  ILE  15          3HG2      ILE  15   7.814  14.002  -3.740
  432   1HD1  ILE  15          1HD1      ILE  15   7.342  11.509  -0.013
  433   2HD1  ILE  15          2HD1      ILE  15   6.632   9.905  -0.296
  434   3HD1  ILE  15          3HD1      ILE  15   8.328  10.219  -0.736
  435    H    VAL  16           H        VAL  16   8.100   8.986  -3.298
  436    HA   VAL  16           HA       VAL  16  10.133   8.398  -1.439
  437    HB   VAL  16           HB       VAL  16   8.474   6.415  -3.055
  438   1HG1  VAL  16          1HG1      VAL  16  10.274   6.139  -0.631
  439   2HG1  VAL  16          2HG1      VAL  16   9.015   4.932  -1.031
  440   3HG1  VAL  16          3HG1      VAL  16  10.347   5.230  -2.156
  441   1HG2  VAL  16          1HG2      VAL  16   7.118   7.952  -1.589
  442   2HG2  VAL  16          2HG2      VAL  16   7.090   6.277  -1.045
  443   3HG2  VAL  16          3HG2      VAL  16   8.100   7.474  -0.206
  444    H    GLU  17           H        GLU  17  10.130   8.041  -4.969
  445    HA   GLU  17           HA       GLU  17  12.697   6.491  -4.832
  446   2HB   GLU  17          2HB       GLU  17  12.683   6.432  -7.248
  447   2HG   GLU  17          2HG       GLU  17   9.886   5.723  -6.277
  448    H    ASN  18           H        ASN  18  12.014   9.628  -4.283
  449    HA   ASN  18           HA       ASN  18  14.520  10.620  -5.480
  450   2HB   ASN  18          2HB       ASN  18  12.290  12.479  -4.713
  451   1HD2  ASN  18          1HD2      ASN  18  13.831  11.230  -7.688
  452   2HD2  ASN  18          2HD2      ASN  18  14.575  12.762  -8.132
  453    H    GLU  19           H        GLU  19  13.136   9.824  -2.486
  454    HA   GLU  19           HA       GLU  19  14.568  11.989  -1.011
  455   2HB   GLU  19          2HB       GLU  19  13.250  10.990   0.956
  456   2HG   GLU  19          2HG       GLU  19  10.986  11.782   0.157
  457    H    ASP  20           H        ASP  20  14.033   8.714   0.167
  458    HA   ASP  20           HA       ASP  20  16.962   8.294   0.420
  459   2HB   ASP  20          2HB       ASP  20  16.450   7.410   2.779
  460    H    LYS  21           H        LYS  21  16.729   6.862  -1.257
  461    HA   LYS  21           HA       LYS  21  15.350   4.327  -1.139
  462   2HB   LYS  21          2HB       LYS  21  17.185   3.541  -2.641
  463   2HG   LYS  21          2HG       LYS  21  16.092   6.292  -3.379
  464   2HD   LYS  21          2HD       LYS  21  16.986   3.952  -5.121
  465   2HE   LYS  21          2HE       LYS  21  15.934   6.737  -5.794
  466   1HZ   LYS  21          1HZ       LYS  21  16.133   5.968  -8.075
  467   2HZ   LYS  21          2HZ       LYS  21  17.606   5.947  -7.373
  468   3HZ   LYS  21          3HZ       LYS  21  16.791   4.548  -7.608
  469    H    ARG  22           H        ARG  22  18.110   5.480   0.586
  470    HA   ARG  22           HA       ARG  22  19.067   3.025   1.793
  471   2HB   ARG  22          2HB       ARG  22  20.186   4.581   3.355
  472   2HG   ARG  22          2HG       ARG  22  21.135   4.269   1.034
  473   2HD   ARG  22          2HD       ARG  22  19.761   5.676  -0.397
  474    HE   ARG  22           HE       ARG  22  19.761   7.645   1.611
  475   1HH1  ARG  22          1HH1      ARG  22  20.628   7.693  -1.786
  476   2HH1  ARG  22          2HH1      ARG  22  20.194   9.379  -1.944
  477   1HH2  ARG  22          1HH2      ARG  22  19.084   9.683   1.294
  478   2HH2  ARG  22          2HH2      ARG  22  19.325  10.467  -0.252
  479    H    LYS  23           H        LYS  23  16.415   5.112   2.503
  480    HA   LYS  23           HA       LYS  23  15.632   3.688   5.003
  481   2HB   LYS  23          2HB       LYS  23  15.430   5.765   6.281
  482   2HG   LYS  23          2HG       LYS  23  18.288   5.550   5.222
  483   2HD   LYS  23          2HD       LYS  23  18.877   6.249   7.534
  484   2HE   LYS  23          2HE       LYS  23  17.096   8.252   6.077
  485   1HZ   LYS  23          1HZ       LYS  23  19.371   8.690   7.927
  486   2HZ   LYS  23          2HZ       LYS  23  18.558   9.861   7.133
  487   3HZ   LYS  23          3HZ       LYS  23  17.802   8.984   8.286
  488    HA   PRO  24           HA       PRO  24  12.339   4.946   1.977
  489   2HB   PRO  24          2HB       PRO  24  12.446   2.828   1.025
  490   2HG   PRO  24          2HG       PRO  24  12.862   0.885   2.373
  491   2HD   PRO  24          2HD       PRO  24  14.654   2.322   2.678
  492    H    TYR  25           H        TYR  25  10.065   5.273   2.146
  493    HA   TYR  25           HA       TYR  25   8.940   5.598   4.862
  494   2HB   TYR  25          2HB       TYR  25   7.042   6.609   3.710
  495    HD1  TYR  25           HD2      TYR  25   9.793   7.253   1.283
  496    HD2  TYR  25           HD1      TYR  25   7.685   8.611   4.784
  497    HE1  TYR  25           HE2      TYR  25  10.908   9.457   1.079
  498    HE2  TYR  25           HE1      TYR  25   8.870  10.797   4.649
  499    HH   TYR  25           HH       TYR  25  10.365  12.051   3.512
  500    H    SER  26           H        SER  26   6.373   4.969   4.694
  501    HA   SER  26           HA       SER  26   5.976   2.214   3.697
  502   2HB   SER  26          2HB       SER  26   6.708   1.874   5.922
  503    HG   SER  26           HG       SER  26   5.929   2.827   7.667
  504    H    ASP  27           H        ASP  27   3.575   1.620   3.926
  505    HA   ASP  27           HA       ASP  27   2.013   3.558   2.637
  506   2HB   ASP  27          2HB       ASP  27   1.556   1.260   2.364
  507    H    GLN  28           H        GLN  28   2.326   3.083   6.166
  508    HA   GLN  28           HA       GLN  28   0.276   5.034   6.829
  509   2HB   GLN  28          2HB       GLN  28   2.651   3.883   8.330
  510   2HG   GLN  28          2HG       GLN  28   2.259   6.081   9.277
  511   1HE2  GLN  28          1HE2      GLN  28   0.580   7.444   8.163
  512   2HE2  GLN  28          2HE2      GLN  28  -1.049   7.455   8.823
  513    H    GLU  29           H        GLU  29   3.914   5.269   6.560
  514    HA   GLU  29           HA       GLU  29   3.927   8.011   7.232
  515   2HB   GLU  29          2HB       GLU  29   6.255   7.887   6.289
  516   2HG   GLU  29          2HG       GLU  29   7.135   6.143   7.849
  517    H    ILE  30           H        ILE  30   4.038   6.542   3.935
  518    HA   ILE  30           HA       ILE  30   4.010   9.101   2.608
  519    HB   ILE  30           HB       ILE  30   3.430   8.030   0.600
  520   2HG1  ILE  30          2HG1      ILE  30   1.709   6.524   1.140
  521   1HG2  ILE  30          1HG2      ILE  30   5.335   6.195   2.068
  522   2HG2  ILE  30          2HG2      ILE  30   5.346   6.647   0.359
  523   3HG2  ILE  30          3HG2      ILE  30   5.748   7.858   1.578
  524   1HD1  ILE  30          1HD1      ILE  30   3.150   5.681  -0.740
  525   2HD1  ILE  30          2HD1      ILE  30   4.018   4.665   0.436
  526   3HD1  ILE  30          3HD1      ILE  30   2.305   4.393   0.134
  527    H    ALA  31           H        ALA  31   1.327   7.169   3.960
  528    HA   ALA  31           HA       ALA  31  -0.747   8.800   2.701
  529   1HB   ALA  31          1HB       ALA  31  -1.347   6.651   3.610
  530   2HB   ALA  31          2HB       ALA  31  -0.678   7.052   5.202
  531   3HB   ALA  31          3HB       ALA  31  -2.140   7.864   4.621
  532    H    ASN  32           H        ASN  32   1.207   9.102   5.619
  533    HA   ASN  32           HA       ASN  32  -0.298  11.226   6.833
  534   2HB   ASN  32          2HB       ASN  32   2.591  10.368   7.253
  535   1HD2  ASN  32          1HD2      ASN  32   3.550  12.135   8.312
  536   2HD2  ASN  32          2HD2      ASN  32   2.753  12.990   9.627
  537    H    ILE  33           H        ILE  33   2.815  11.348   5.027
  538    HA   ILE  33           HA       ILE  33   3.062  14.219   5.201
  539    HB   ILE  33           HB       ILE  33   4.113  12.489   2.964
  540   2HG1  ILE  33          2HG1      ILE  33   4.730  12.141   5.744
  541   1HG2  ILE  33          1HG2      ILE  33   6.001  14.116   2.919
  542   2HG2  ILE  33          2HG2      ILE  33   4.441  14.781   2.454
  543   3HG2  ILE  33          3HG2      ILE  33   5.095  15.133   4.070
  544   1HD1  ILE  33          1HD1      ILE  33   6.478  11.387   3.388
  545   2HD1  ILE  33          2HD1      ILE  33   6.196  10.491   4.920
  546   3HD1  ILE  33          3HD1      ILE  33   4.906  10.636   3.707
  547    H    LEU  34           H        LEU  34   1.367  12.171   2.916
  548    HA   LEU  34           HA       LEU  34   0.719  14.132   0.901
  549   2HB   LEU  34          2HB       LEU  34  -1.264  12.312   0.717
  550    HG   LEU  34           HG       LEU  34   0.184  12.349  -1.105
  551   1HD1  LEU  34          1HD1      LEU  34   2.554  11.564  -1.065
  552   2HD1  LEU  34          2HD1      LEU  34   2.277  13.061  -0.169
  553   3HD1  LEU  34          3HD1      LEU  34   2.476  11.536   0.713
  554   1HD2  LEU  34          1HD2      LEU  34  -0.793  10.128  -0.657
  555   2HD2  LEU  34          2HD2      LEU  34   0.747  10.021  -1.521
  556   3HD2  LEU  34          3HD2      LEU  34   0.673   9.653   0.214
  557    H    LYS  35           H        LYS  35  -0.473  13.621   4.074
  558    HA   LYS  35           HA       LYS  35  -3.005  15.113   3.576
  559   2HB   LYS  35          2HB       LYS  35  -2.408  13.155   5.353
  560   2HG   LYS  35          2HG       LYS  35  -2.637  15.623   7.107
  561   2HD   LYS  35          2HD       LYS  35  -1.602  12.823   7.683
  562   2HE   LYS  35          2HE       LYS  35  -2.396  15.103   9.553
  563   1HZ   LYS  35          1HZ       LYS  35  -0.948  12.575  10.117
  564   2HZ   LYS  35          2HZ       LYS  35  -2.538  12.808  10.468
  565   3HZ   LYS  35          3HZ       LYS  35  -1.392  13.698  11.219
  566    H    GLU  36           H        GLU  36   0.231  15.947   4.131
  567    HA   GLU  36           HA       GLU  36  -0.385  18.454   5.601
  568   2HB   GLU  36          2HB       GLU  36   2.013  18.766   5.691
  569   2HG   GLU  36          2HG       GLU  36   1.472  15.841   6.324
  570    H    LYS  37           H        LYS  37  -0.191  17.417   2.329
  571    HA   LYS  37           HA       LYS  37   0.234  20.252   1.420
  572   2HB   LYS  37          2HB       LYS  37   2.232  19.014   1.079
  573   2HG   LYS  37          2HG       LYS  37   0.611  17.140  -0.671
  574   2HD   LYS  37          2HD       LYS  37   3.116  17.665  -1.211
  575   2HE   LYS  37          2HE       LYS  37   3.464  15.775   1.141
  576   1HZ   LYS  37          1HZ       LYS  37   5.268  15.841  -0.501
  577   2HZ   LYS  37          2HZ       LYS  37   5.790  16.467   0.918
  578   3HZ   LYS  37          3HZ       LYS  37   5.426  17.457  -0.325
  579    HN2  GLY  38           HN2      GLY  38  -1.786  17.347   0.850
  580   1HA   GLY  38          1HA       GLY  38  -3.940  18.951   0.954
  581   2HA   GLY  38          2HA       GLY  38  -3.561  19.112  -0.760
  582    H    PHE  39           H        PHE  39  -2.754  15.939   0.221
  583    HA   PHE  39           HA       PHE  39  -4.901  15.090  -1.512
  584   2HB   PHE  39          2HB       PHE  39  -3.638  13.015  -1.680
  585    HD1  PHE  39           HD1      PHE  39  -3.728  14.619  -3.744
  586    HD2  PHE  39           HD2      PHE  39  -0.574  14.628  -0.778
  587    HE1  PHE  39           HE1      PHE  39  -2.273  15.796  -5.319
  588    HE2  PHE  39           HE2      PHE  39   0.896  15.806  -2.383
  589    HZ   PHE  39           HZ       PHE  39   0.068  16.426  -4.651
  590    H    LYS  40           H        LYS  40  -4.282  15.061   1.772
  591    HA   LYS  40           HA       LYS  40  -4.773  13.748   3.619
  592   2HB   LYS  40          2HB       LYS  40  -6.230  15.575   3.676
  593   2HG   LYS  40          2HG       LYS  40  -7.692  14.301   1.488
  594   2HD   LYS  40          2HD       LYS  40  -9.836  15.550   2.346
  595   2HE   LYS  40          2HE       LYS  40  -9.458  13.097   1.646
  596   1HZ   LYS  40          1HZ       LYS  40  -9.840  11.521   3.403
  597   2HZ   LYS  40          2HZ       LYS  40  -8.497  12.340   3.758
  598   3HZ   LYS  40          3HZ       LYS  40  -9.892  12.694   4.558
  599    H    VAL  41           H        VAL  41  -4.296  11.881   1.600
  600    HA   VAL  41           HA       VAL  41  -6.546   9.970   1.669
  601    HB   VAL  41           HB       VAL  41  -5.638  10.098  -0.490
  602   1HG1  VAL  41          1HG1      VAL  41  -3.240   9.524  -0.939
  603   2HG1  VAL  41          2HG1      VAL  41  -3.435  11.037  -0.059
  604   3HG1  VAL  41          3HG1      VAL  41  -2.919   9.562   0.796
  605   1HG2  VAL  41          1HG2      VAL  41  -4.467   7.559   0.774
  606   2HG2  VAL  41          2HG2      VAL  41  -6.169   7.776   0.306
  607   3HG2  VAL  41          3HG2      VAL  41  -4.872   7.769  -0.904
  608    H    ALA  42           H        ALA  42  -6.495   8.019   2.694
  609    HA   ALA  42           HA       ALA  42  -4.754   7.673   5.010
  610   1HB   ALA  42          1HB       ALA  42  -7.230   6.178   4.046
  611   2HB   ALA  42          2HB       ALA  42  -6.477   6.016   5.647
  612   3HB   ALA  42          3HB       ALA  42  -7.233   7.548   5.175
  613    H    ARG  43           H        ARG  43  -4.113   5.523   5.590
  614    HA   ARG  43           HA       ARG  43  -2.183   4.494   3.814
  615   2HB   ARG  43          2HB       ARG  43  -3.276   3.591   6.490
  616   2HG   ARG  43          2HG       ARG  43  -0.889   2.348   6.433
  617   2HD   ARG  43          2HD       ARG  43  -3.626   1.335   5.649
  618    HE   ARG  43           HE       ARG  43  -1.208  -0.083   5.016
  619   1HH1  ARG  43          1HH1      ARG  43  -4.283  -0.736   6.531
  620   2HH1  ARG  43          2HH1      ARG  43  -4.225  -2.421   6.072
  621   1HH2  ARG  43          1HH2      ARG  43  -1.260  -2.049   4.341
  622   2HH2  ARG  43          2HH2      ARG  43  -2.609  -3.138   4.670
  623    H    ARG  44           H        ARG  44  -5.482   3.455   4.085
  624    HA   ARG  44           HA       ARG  44  -4.978   0.720   3.088
  625   2HB   ARG  44          2HB       ARG  44  -7.719   1.749   2.649
  626   2HG   ARG  44          2HG       ARG  44  -8.241  -0.021   4.377
  627   2HD   ARG  44          2HD       ARG  44  -8.277  -0.541   1.928
  628    HE   ARG  44           HE       ARG  44  -6.062  -0.683   1.129
  629   1HH1  ARG  44          1HH1      ARG  44  -6.378  -3.087   3.667
  630   2HH1  ARG  44          2HH1      ARG  44  -4.809  -3.764   3.285
  631   1HH2  ARG  44          1HH2      ARG  44  -4.206  -1.680   0.642
  632   2HH2  ARG  44          2HH2      ARG  44  -3.634  -3.001   1.625
  633    H    THR  45           H        THR  45  -5.757   3.875   1.671
  634    HA   THR  45           HA       THR  45  -6.426   2.933  -0.945
  635    HB   THR  45           HB       THR  45  -5.523   5.673  -0.032
  636    HG1  THR  45           HG1      THR  45  -7.412   6.124   0.904
  637   1HG2  THR  45          1HG2      THR  45  -7.712   4.751  -1.893
  638   2HG2  THR  45          2HG2      THR  45  -7.187   6.442  -1.638
  639   3HG2  THR  45          3HG2      THR  45  -6.099   5.282  -2.413
  640    H    VAL  46           H        VAL  46  -3.767   4.609   0.704
  641    HA   VAL  46           HA       VAL  46  -2.272   4.975  -1.587
  642    HB   VAL  46           HB       VAL  46  -2.225   6.051   0.823
  643   1HG1  VAL  46          1HG1      VAL  46   0.211   4.229   0.977
  644   2HG1  VAL  46          2HG1      VAL  46  -0.219   5.552   2.059
  645   3HG1  VAL  46          3HG1      VAL  46  -1.239   4.103   1.974
  646   1HG2  VAL  46          1HG2      VAL  46   0.334   5.883  -0.794
  647   2HG2  VAL  46          2HG2      VAL  46  -1.053   6.878  -1.263
  648   3HG2  VAL  46          3HG2      VAL  46  -0.214   7.225   0.241
  649    H    ALA  47           H        ALA  47  -2.491   2.274   0.620
  650    HA   ALA  47           HA       ALA  47  -0.105   0.877  -0.075
  651   1HB   ALA  47          1HB       ALA  47  -1.247   0.516   2.048
  652   2HB   ALA  47          2HB       ALA  47  -2.728   0.023   1.209
  653   3HB   ALA  47          3HB       ALA  47  -1.266  -0.996   1.131
  654    H    LYS  48           H        LYS  48  -3.437   0.910  -1.311
  655    HA   LYS  48           HA       LYS  48  -3.149  -1.382  -3.096
  656   2HB   LYS  48          2HB       LYS  48  -5.204  -0.219  -4.187
  657   2HG   LYS  48          2HG       LYS  48  -5.400  -0.875  -1.216
  658   2HD   LYS  48          2HD       LYS  48  -7.499  -0.912  -3.430
  659   2HE   LYS  48          2HE       LYS  48  -7.817  -1.259  -0.421
  660   1HZ   LYS  48          1HZ       LYS  48  -9.654  -1.708  -2.714
  661   2HZ   LYS  48          2HZ       LYS  48  -9.968  -2.213  -1.193
  662   3HZ   LYS  48          3HZ       LYS  48  -9.858  -0.626  -1.493
  663    H    TYR  49           H        TYR  49  -2.426   2.020  -3.272
  664    HA   TYR  49           HA       TYR  49  -2.266   2.091  -6.166
  665   2HB   TYR  49          2HB       TYR  49  -1.066   4.338  -5.588
  666    HD1  TYR  49           HD2      TYR  49  -4.344   2.585  -4.981
  667    HD2  TYR  49           HD1      TYR  49  -2.341   6.242  -6.031
  668    HE1  TYR  49           HE2      TYR  49  -6.444   3.454  -6.009
  669    HE2  TYR  49           HE1      TYR  49  -4.433   7.100  -7.090
  670    HH   TYR  49           HH       TYR  49  -7.173   6.217  -6.420
  671    H    ARG  50           H        ARG  50   0.296   2.053  -3.658
  672    HA   ARG  50           HA       ARG  50   2.499   2.048  -5.435
  673   2HB   ARG  50          2HB       ARG  50   2.803   2.238  -3.017
  674   2HG   ARG  50          2HG       ARG  50   1.714  -0.577  -2.960
  675   2HD   ARG  50          2HD       ARG  50   4.117  -0.555  -2.004
  676    HE   ARG  50           HE       ARG  50   3.100   0.183   0.586
  677   1HH1  ARG  50          1HH1      ARG  50   4.823   1.688  -2.058
  678   2HH1  ARG  50          2HH1      ARG  50   5.775   2.649  -0.956
  679   1HH2  ARG  50          1HH2      ARG  50   4.362   1.254   1.843
  680   2HH2  ARG  50          2HH2      ARG  50   5.501   2.437   1.211
  681    H    GLU  51           H        GLU  51   0.210  -0.468  -4.983
  682    HA   GLU  51           HA       GLU  51   1.915  -2.626  -6.068
  683   2HB   GLU  51          2HB       GLU  51  -1.101  -2.555  -5.644
  684   2HG   GLU  51          2HG       GLU  51   0.849  -4.875  -5.958
  685    H    MET  52           H        MET  52  -0.488  -0.367  -7.366
  686    HA   MET  52           HA       MET  52  -0.580  -1.820  -9.953
  687   2HB   MET  52          2HB       MET  52  -2.662  -0.971  -8.867
  688   2HG   MET  52          2HG       MET  52  -1.719   1.712  -9.947
  689   1HE   MET  52          1HE       MET  52  -3.218   3.790  -9.948
  690   2HE   MET  52          2HE       MET  52  -4.741   3.916  -9.042
  691   3HE   MET  52          3HE       MET  52  -3.210   3.640  -8.179
  692    H    LEU  53           H        LEU  53   0.971   1.037  -8.638
  693    HA   LEU  53           HA       LEU  53   1.882   2.091 -11.202
  694   2HB   LEU  53          2HB       LEU  53   3.581   3.200  -9.552
  695    HG   LEU  53           HG       LEU  53   0.665   3.665 -10.000
  696   1HD1  LEU  53          1HD1      LEU  53   2.012   5.024  -7.644
  697   2HD1  LEU  53          2HD1      LEU  53   0.363   5.303  -8.242
  698   3HD1  LEU  53          3HD1      LEU  53   0.762   3.774  -7.508
  699   1HD2  LEU  53          1HD2      LEU  53   2.650   4.644 -11.224
  700   2HD2  LEU  53          2HD2      LEU  53   1.534   5.873 -10.611
  701   3HD2  LEU  53          3HD2      LEU  53   3.028   5.531  -9.734
  702    HN2  GLY  54           HN2      GLY  54   3.725   0.450  -8.615
  703   1HA   GLY  54          1HA       GLY  54   4.562  -1.778 -10.058
  704   2HA   GLY  54          2HA       GLY  54   5.731  -0.537 -10.489
  705    H    ILE  55           H        ILE  55   4.825  -0.127  -7.220
  706    HA   ILE  55           HA       ILE  55   7.500  -1.013  -6.390
  707    HB   ILE  55           HB       ILE  55   5.362   0.720  -5.190
  708   2HG1  ILE  55          2HG1      ILE  55   7.246   1.402  -6.909
  709   1HG2  ILE  55          1HG2      ILE  55   7.843  -0.314  -3.737
  710   2HG2  ILE  55          2HG2      ILE  55   6.850   1.039  -3.187
  711   3HG2  ILE  55          3HG2      ILE  55   6.152  -0.576  -3.252
  712   1HD1  ILE  55          1HD1      ILE  55   7.513   3.611  -5.911
  713   2HD1  ILE  55          2HD1      ILE  55   5.833   3.075  -5.718
  714   3HD1  ILE  55          3HD1      ILE  55   6.956   3.021  -4.336
  715    HA   PRO  56           HA       PRO  56   5.758  -4.761  -4.493
  716   2HB   PRO  56          2HB       PRO  56   7.690  -5.835  -5.044
  717   2HG   PRO  56          2HG       PRO  56   9.723  -4.685  -5.222
  718   2HD   PRO  56          2HD       PRO  56   8.492  -3.040  -6.327
  719    H    SER  57           H        SER  57   8.181  -3.208  -2.392
  720    HA   SER  57           HA       SER  57   6.090  -2.051  -0.677
  721   2HB   SER  57          2HB       SER  57   6.531  -4.326   0.290
  722    HG   SER  57           HG       SER  57   8.498  -4.766   1.153
  723    H    SER  58           H        SER  58   9.131  -1.897  -1.976
  724    HA   SER  58           HA       SER  58  10.995  -0.666  -1.884
  725   2HB   SER  58          2HB       SER  58  11.002   1.626  -0.940
  726    HG   SER  58           HG       SER  58   9.448   2.359  -2.468
  727    H    ARG  59           H        ARG  59   9.777  -1.909   1.008
  728    HA   ARG  59           HA       ARG  59  12.103  -1.399   2.752
  729   2HB   ARG  59          2HB       ARG  59   9.692  -3.262   2.802
  730   2HG   ARG  59          2HG       ARG  59  11.812  -3.018   4.977
  731   2HD   ARG  59          2HD       ARG  59   9.082  -4.384   4.811
  732    HE   ARG  59           HE       ARG  59  11.258  -5.313   6.363
  733   1HH1  ARG  59          1HH1      ARG  59   7.934  -4.323   6.975
  734   2HH1  ARG  59          2HH1      ARG  59   7.782  -5.368   8.350
  735   1HH2  ARG  59          1HH2      ARG  59  10.969  -6.670   8.081
  736   2HH2  ARG  59          2HH2      ARG  59   9.406  -6.801   8.845
  737    H    GLU  60           H        GLU  60  10.885  -3.801   0.498
  738    HA   GLU  60           HA       GLU  60  13.157  -5.554   0.868
  739   2HB   GLU  60          2HB       GLU  60  10.882  -6.378   0.448
  740   2HG   GLU  60          2HG       GLU  60  10.500  -4.744  -1.653
  741    H    ARG  61           H        ARG  61  12.492  -2.909  -1.200
  742    HA   ARG  61           HA       ARG  61  14.594  -3.414  -3.191
  743   2HB   ARG  61          2HB       ARG  61  14.221  -1.042  -3.827
  744   2HG   ARG  61          2HG       ARG  61  11.620  -2.590  -3.476
  745   2HD   ARG  61          2HD       ARG  61  11.308  -0.178  -4.042
  746    HE   ARG  61           HE       ARG  61  13.294  -0.707  -6.126
  747   1HH1  ARG  61          1HH1      ARG  61  10.473   1.297  -5.425
  748   2HH1  ARG  61          2HH1      ARG  61  10.909   2.382  -6.762
  749   1HH2  ARG  61          1HH2      ARG  61  13.705   0.843  -7.742
  750   2HH2  ARG  61          2HH2      ARG  61  12.542   2.167  -7.887
  751    H    ARG  62           H        ARG  62  14.322  -1.571  -0.149
  752    HA   ARG  62           HA       ARG  62  16.877  -0.257  -0.277
  753   2HB   ARG  62          2HB       ARG  62  14.837  -0.876   1.880
  754   2HG   ARG  62          2HG       ARG  62  16.493   1.420   2.496
  755   2HD   ARG  62          2HD       ARG  62  16.068  -1.241   3.873
  756    HE   ARG  62           HE       ARG  62  17.459   1.204   4.731
  757   1HH1  ARG  62          1HH1      ARG  62  15.638  -1.473   6.065
  758   2HH1  ARG  62          2HH1      ARG  62  16.346  -1.268   7.648
  759   1HH2  ARG  62          1HH2      ARG  62  18.317   1.397   6.722
  760   2HH2  ARG  62          2HH2      ARG  62  17.824   0.329   8.010
  761    H    ILE  63           H        ILE  63  15.769  -3.011   1.663
  762    HA   ILE  63           HA       ILE  63  18.162  -3.384   3.061
  763    HB   ILE  63           HB       ILE  63  15.854  -4.173   3.675
  764   2HG1  ILE  63          2HG1      ILE  63  18.124  -6.173   4.043
  765   1HG2  ILE  63          1HG2      ILE  63  16.531  -6.648   2.037
  766   2HG2  ILE  63          2HG2      ILE  63  15.067  -6.345   2.988
  767   3HG2  ILE  63          3HG2      ILE  63  15.390  -5.389   1.531
  768   1HD1  ILE  63          1HD1      ILE  63  17.052  -3.907   5.802
  769   2HD1  ILE  63          2HD1      ILE  63  18.209  -5.152   6.331
  770   3HD1  ILE  63          3HD1      ILE  63  18.671  -3.993   5.074
  Start of MODEL    3
    1   1H5*    T  64          1H5*        T  64   8.781  -5.160  19.437
    2   2H5*    T  64          2H5*        T  64   7.765  -6.460  18.796
    3    H4*    T  64           H4*        T  64  10.409  -5.523  17.619
    4    H3*    T  64           H3*        T  64   7.542  -4.974  16.843
    5   1H2*    T  64          1H2*        T  64   8.125  -5.082  14.606
    6   2H2*    T  64          2H2*        T  64   9.874  -4.860  14.935
    7    H1*    T  64           H1*        T  64   9.956  -7.108  14.730
    8    H3     T  64           H3         T  64   6.747  -9.155  12.415
    9   1H5M    T  64          1H5M        T  64   5.185  -9.895  17.203
   10   2H5M    T  64          2H5M        T  64   4.754  -8.174  17.333
   11   3H5M    T  64          3H5M        T  64   3.905  -9.210  16.173
   12    H6     T  64           H6         T  64   7.044  -7.427  16.903
   13    H5T    T  64           H5T        T  64   9.670  -7.857  19.081
   14   1H5*    T  65          1H5*        T  65  10.062  -2.680  14.385
   15   2H5*    T  65          2H5*        T  65   9.546  -1.015  14.088
   16    H4*    T  65           H4*        T  65   9.776  -2.412  11.978
   17    H3*    T  65           H3*        T  65   7.291  -1.015  12.784
   18   1H2*    T  65          1H2*        T  65   5.867  -2.316  11.746
   19   2H2*    T  65          2H2*        T  65   6.810  -2.309  10.235
   20    H1*    T  65           H1*        T  65   7.865  -4.226  10.673
   21    H3     T  65           H3         T  65   4.421  -7.156  10.833
   22   1H5M    T  65          1H5M        T  65   3.680  -6.297  15.391
   23   2H5M    T  65          2H5M        T  65   5.118  -5.353  15.816
   24   3H5M    T  65          3H5M        T  65   3.660  -4.529  15.221
   25    H6     T  65           H6         T  65   6.163  -3.936  13.975
   26   1H5*    T  66          1H5*        T  66   8.438  -1.343   8.492
   27   2H5*    T  66          2H5*        T  66   8.165   0.072   7.462
   28    H4*    T  66           H4*        T  66   7.541  -2.018   6.360
   29    H3*    T  66           H3*        T  66   5.866   0.262   6.470
   30   1H2*    T  66          1H2*        T  66   4.311  -0.708   7.876
   31   2H2*    T  66          2H2*        T  66   3.630  -1.303   6.350
   32    H1*    T  66           H1*        T  66   4.834  -3.386   6.503
   33    H3     T  66           H3         T  66   1.997  -5.812   9.125
   34   1H5M    T  66          1H5M        T  66   1.996  -2.356  12.373
   35   2H5M    T  66          2H5M        T  66   3.676  -2.813  12.728
   36   3H5M    T  66          3H5M        T  66   3.322  -1.301  11.855
   37    H6     T  66           H6         T  66   4.445  -1.711   9.833
   38   1H5*    T  67          1H5*        T  67   4.864  -3.460   4.077
   39   2H5*    T  67          2H5*        T  67   4.496  -3.053   2.395
   40    H4*    T  67           H4*        T  67   3.255  -5.035   3.084
   41    H3*    T  67           H3*        T  67   2.099  -2.783   1.873
   42   1H2*    T  67          1H2*        T  67   0.967  -2.116   3.884
   43   2H2*    T  67          2H2*        T  67  -0.293  -3.176   3.176
   44    H1*    T  67           H1*        T  67   0.618  -5.119   4.323
   45    H3     T  67           H3         T  67  -1.779  -4.925   8.146
   46   1H5M    T  67          1H5M        T  67   0.209  -0.279   8.377
   47   2H5M    T  67          2H5M        T  67   0.816  -1.304   9.694
   48   3H5M    T  67          3H5M        T  67   1.860  -0.925   8.321
   49    H6     T  67           H6         T  67   1.568  -2.039   6.216
   50   1H5*    G  68          1H5*        G  68   0.200  -7.245   1.294
   51   2H5*    G  68          2H5*        G  68  -0.325  -7.264  -0.390
   52    H4*    G  68           H4*        G  68  -1.580  -8.849   0.980
   53    H3*    G  68           H3*        G  68  -2.816  -7.209  -0.849
   54    H1*    G  68           H1*        G  68  -4.233  -7.624   2.714
   55    H8     G  68           H8         G  68  -2.291  -4.245   2.322
   56    H1     G  68           H1         G  68  -5.644  -5.033   7.796
   57   1H2     G  68          1H2         G  68  -6.940  -6.883   7.516
   58   2H2     G  68          2H2         G  68  -6.606  -7.971   6.181
   59   1H2*    G  68          1H2*        G  68  -3.467  -5.523   0.674
   60   2H2*    G  68          2H2*        G  68  -4.931  -6.538   0.760
   61   1H5*    G  69          1H5*        G  69  -5.337 -10.350   1.726
   62   2H5*    G  69          2H5*        G  69  -6.166 -11.317   0.504
   63    H4*    G  69           H4*        G  69  -7.341 -11.434   2.613
   64    H3*    G  69           H3*        G  69  -8.624 -10.916   0.223
   65    H1*    G  69           H1*        G  69  -9.460  -8.981   3.444
   66    H8     G  69           H8         G  69  -7.489  -6.777   0.902
   67    H1     G  69           H1         G  69  -9.261  -3.855   6.377
   68   1H2     G  69          1H2         G  69 -10.578  -5.238   7.524
   69   2H2     G  69          2H2         G  69 -10.843  -6.871   6.930
   70   1H2*    G  69          1H2*        G  69  -8.796  -8.591   0.503
   71   2H2*    G  69          2H2*        G  69 -10.341  -9.067   1.249
   72   1H5*    C  70          1H5*        C  70 -11.429 -11.281   4.110
   73   2H5*    C  70          2H5*        C  70 -12.873 -12.204   3.682
   74    H4*    C  70           H4*        C  70 -13.424 -10.460   5.280
   75    H3*    C  70           H3*        C  70 -14.796 -10.713   2.798
   76    H1*    C  70           H1*        C  70 -14.060  -7.650   4.836
   77   1H4     C  70          1H4         C  70 -10.866  -2.641   2.776
   78   2H4     C  70          2H4         C  70 -10.325  -3.488   1.318
   79    H5     C  70           H5         C  70 -10.692  -5.788   0.948
   80    H6     C  70           H6         C  70 -12.004  -7.741   1.703
   81   1H2*    C  70          1H2*        C  70 -14.022  -8.677   1.960
   82   2H2*    C  70          2H2*        C  70 -15.413  -8.036   2.879
   83   1H5*    A  71          1H5*        A  71 -16.887  -8.029   6.239
   84   2H5*    A  71          2H5*        A  71 -18.648  -8.156   6.113
   85    H4*    A  71           H4*        A  71 -17.947  -5.842   6.549
   86    H3*    A  71           H3*        A  71 -19.173  -6.392   3.848
   87    H1*    A  71           H1*        A  71 -16.701  -3.675   5.198
   88    H8     A  71           H8         A  71 -16.277  -6.103   2.231
   89   1H6     A  71          1H6         A  71 -12.564  -1.472   0.133
   90   2H6     A  71          2H6         A  71 -12.989  -3.157  -0.220
   91    H2     A  71           H2         A  71 -14.758   0.042   3.444
   92   1H2*    A  71          1H2*        A  71 -18.629  -4.320   3.077
   93   2H2*    A  71          2H2*        A  71 -18.858  -3.545   4.672
   94   1H5*    C  72          1H5*        C  72 -20.718  -2.804   6.359
   95   2H5*    C  72          2H5*        C  72 -22.431  -2.468   6.064
   96    H4*    C  72           H4*        C  72 -21.095  -0.398   5.940
   97    H3*    C  72           H3*        C  72 -22.318  -1.415   3.390
   98    H1*    C  72           H1*        C  72 -19.268   0.837   4.173
   99   1H4     C  72          1H4         C  72 -15.440  -0.587  -0.664
  100   2H4     C  72          2H4         C  72 -16.223  -2.149  -0.908
  101    H5     C  72           H5         C  72 -18.031  -2.912   0.419
  102    H6     C  72           H6         C  72 -19.558  -2.327   2.264
  103   1H2*    C  72          1H2*        C  72 -21.171  -0.043   2.103
  104   2H2*    C  72          2H2*        C  72 -21.236   1.327   3.264
  105   1H5*    G  73          1H5*        G  73 -23.214   3.113   4.387
  106   2H5*    G  73          2H5*        G  73 -24.680   3.650   3.547
  107    H4*    G  73           H4*        G  73 -22.912   5.283   3.265
  108    H3*    G  73           H3*        G  73 -23.476   3.753   0.714
  109    H1*    G  73           H1*        G  73 -19.970   5.010   1.701
  110    H8     G  73           H8         G  73 -22.111   1.898   1.086
  111    H1     G  73           H1         G  73 -16.605   2.145  -2.260
  112   1H2     G  73          1H2         G  73 -16.038   4.337  -2.449
  113   2H2     G  73          2H2         G  73 -16.761   5.494  -1.334
  114   1H2*    G  73          1H2*        G  73 -21.790   5.142  -0.310
  115   2H2*    G  73          2H2*        G  73 -21.796   6.282   1.070
  116   1H5*    T  74          1H5*        T  74 -22.703   7.511  -0.586
  117   2H5*    T  74          2H5*        T  74 -23.892   8.191  -1.714
  118    H4*    T  74           H4*        T  74 -21.563   8.255  -2.647
  119    H3*    T  74           H3*        T  74 -23.528   6.398  -4.004
  120   1H2*    T  74          1H2*        T  74 -21.800   5.875  -5.547
  121   2H2*    T  74          2H2*        T  74 -20.867   7.337  -5.120
  122    H1*    T  74           H1*        T  74 -19.727   6.075  -3.706
  123    H3     T  74           H3         T  74 -19.510   1.658  -4.976
  124   1H5M    T  74          1H5M        T  74 -23.542   2.443  -1.445
  125   2H5M    T  74          2H5M        T  74 -24.137   1.711  -2.954
  126   3H5M    T  74          3H5M        T  74 -23.016   0.815  -1.907
  127    H6     T  74           H6         T  74 -22.585   4.429  -2.515
  128   1H5*    T  75          1H5*        T  75 -21.213   8.770  -6.728
  129   2H5*    T  75          2H5*        T  75 -22.183   9.592  -7.949
  130    H4*    T  75           H4*        T  75 -20.255   8.447  -8.944
  131    H3*    T  75           H3*        T  75 -22.988   8.117  -9.745
  132   1H2*    T  75          1H2*        T  75 -23.189   5.937  -9.669
  133   2H2*    T  75          2H2*        T  75 -22.097   5.827 -11.063
  134    H1*    T  75           H1*        T  75 -20.288   5.324  -9.816
  135    H3     T  75           H3         T  75 -20.867   1.186  -8.046
  136   1H5M    T  75          1H5M        T  75 -23.965   4.336  -5.197
  137   2H5M    T  75          2H5M        T  75 -25.082   3.971  -6.530
  138   3H5M    T  75          3H5M        T  75 -24.495   2.667  -5.478
  139    H6     T  75           H6         T  75 -22.963   5.483  -7.532
  140   1H5*    T  76          1H5*        T  76 -19.460   6.980 -12.630
  141   2H5*    T  76          2H5*        T  76 -19.749   7.460 -14.310
  142    H4*    T  76           H4*        T  76 -18.712   5.243 -14.214
  143    H3*    T  76           H3*        T  76 -21.455   5.562 -15.315
  144   1H2*    T  76          1H2*        T  76 -22.167   3.492 -14.804
  145   2H2*    T  76          2H2*        T  76 -20.711   2.763 -15.524
  146    H1*    T  76           H1*        T  76 -19.606   2.541 -13.621
  147    H3     T  76           H3         T  76 -21.957  -0.156 -10.780
  148   1H5M    T  76          1H5M        T  76 -25.480   3.143 -10.807
  149   2H5M    T  76          2H5M        T  76 -24.362   3.883  -9.633
  150   3H5M    T  76          3H5M        T  76 -24.554   4.605 -11.235
  151    H6     T  76           H6         T  76 -22.692   4.279 -12.521
  152   1H5*    C  77          1H5*        C  77 -18.470   2.613 -17.288
  153   2H5*    C  77          2H5*        C  77 -18.759   2.355 -19.013
  154    H4*    C  77           H4*        C  77 -18.516   0.199 -17.978
  155    H3*    C  77           H3*        C  77 -21.453   0.727 -18.481
  156    H1*    C  77           H1*        C  77 -19.652  -1.527 -15.879
  157   1H4     C  77          1H4         C  77 -25.012  -1.061 -12.548
  158   2H4     C  77          2H4         C  77 -25.455   0.491 -13.281
  159    H5     C  77           H5         C  77 -24.077   1.526 -14.991
  160    H6     C  77           H6         C  77 -21.981   1.206 -16.349
  161    H3T    C  77           H3T        C  77 -20.150   0.597 -20.383
  162   1H2*    C  77          1H2*        C  77 -21.816  -1.472 -17.734
  163   2H2*    C  77          2H2*        C  77 -20.128  -1.965 -18.061
  164   1H5*    G  78          1H5*        G  78 -28.731 -10.643 -10.200
  165   2H5*    G  78          2H5*        G  78 -27.862 -11.346  -8.826
  166    H4*    G  78           H4*        G  78 -26.383 -11.376 -10.693
  167    H3*    G  78           H3*        G  78 -25.698  -9.214  -8.693
  168    H1*    G  78           H1*        G  78 -25.130  -8.897 -12.559
  169    H8     G  78           H8         G  78 -27.392  -7.384  -9.961
  170    H1     G  78           H1         G  78 -23.581  -3.128 -12.968
  171   1H2     G  78          1H2         G  78 -21.936  -4.260 -13.951
  172   2H2     G  78          2H2         G  78 -21.982  -6.024 -13.997
  173   1H2*    G  78          1H2*        G  78 -24.031  -8.408 -10.057
  174   2H2*    G  78          2H2*        G  78 -23.867  -9.946 -10.973
  175    H5T    G  78           H5T        G  78 -29.056  -9.464  -8.234
  176   1H5*    A  79          1H5*        A  79 -22.047 -10.862 -10.036
  177   2H5*    A  79          2H5*        A  79 -20.890 -11.176  -8.738
  178    H4*    A  79           H4*        A  79 -19.970  -9.637 -10.485
  179    H3*    A  79           H3*        A  79 -20.282  -8.700  -7.656
  180    H1*    A  79           H1*        A  79 -20.347  -6.662 -11.048
  181    H8     A  79           H8         A  79 -23.106  -7.140  -8.446
  182   1H6     A  79          1H6         A  79 -23.897  -0.939  -9.208
  183   2H6     A  79          2H6         A  79 -24.641  -2.349  -8.438
  184    H2     A  79           H2         A  79 -20.276  -2.001 -11.192
  185   1H2*    A  79          1H2*        A  79 -19.771  -6.548  -8.221
  186   2H2*    A  79          2H2*        A  79 -18.719  -7.042  -9.582
  187   1H5*    A  80          1H5*        A  80 -16.586  -8.160 -10.160
  188   2H5*    A  80          2H5*        A  80 -15.012  -8.252  -9.351
  189    H4*    A  80           H4*        A  80 -15.261  -6.255 -10.923
  190    H3*    A  80           H3*        A  80 -14.532  -5.937  -8.025
  191    H1*    A  80           H1*        A  80 -16.515  -3.555 -10.452
  192    H8     A  80           H8         A  80 -17.809  -5.537  -7.420
  193   1H6     A  80          1H6         A  80 -21.707  -0.645  -6.643
  194   2H6     A  80          2H6         A  80 -21.356  -2.257  -6.018
  195    H2     A  80           H2         A  80 -18.945   0.345  -9.785
  196   1H2*    A  80          1H2*        A  80 -15.381  -4.028  -7.794
  197   2H2*    A  80          2H2*        A  80 -14.606  -3.368  -9.274
  198   1H5*    A  81          1H5*        A  81 -12.499  -2.969 -10.778
  199   2H5*    A  81          2H5*        A  81 -10.796  -2.735 -10.334
  200    H4*    A  81           H4*        A  81 -11.993  -0.538 -10.425
  201    H3*    A  81           H3*        A  81 -10.863  -1.584  -7.873
  202    H1*    A  81           H1*        A  81 -13.925   0.769  -8.550
  203    H8     A  81           H8         A  81 -13.857  -2.742  -6.840
  204   1H6     A  81          1H6         A  81 -19.319  -0.784  -4.395
  205   2H6     A  81          2H6         A  81 -18.189  -2.139  -4.351
  206    H2     A  81           H2         A  81 -17.956   2.229  -7.125
  207   1H2*    A  81          1H2*        A  81 -12.231  -0.474  -6.512
  208   2H2*    A  81          2H2*        A  81 -12.069   1.040  -7.447
  209   1H5*    C  82          1H5*        C  82 -10.784   2.931  -8.912
  210   2H5*    C  82          2H5*        C  82  -9.255   3.690  -8.449
  211    H4*    C  82           H4*        C  82 -11.097   5.162  -7.890
  212    H3*    C  82           H3*        C  82  -9.385   4.040  -5.793
  213    H1*    C  82           H1*        C  82 -13.128   5.148  -5.604
  214   1H4     C  82          1H4         C  82 -16.649   0.642  -3.072
  215   2H4     C  82          2H4         C  82 -15.315  -0.453  -3.196
  216    H5     C  82           H5         C  82 -13.277   0.009  -4.432
  217    H6     C  82           H6         C  82 -11.902   1.768  -5.370
  218   1H2*    C  82          1H2*        C  82 -10.891   3.733  -4.235
  219   2H2*    C  82          2H2*        C  82 -11.312   5.468  -4.245
  220   1H5*    G  83          1H5*        G  83  -8.034   7.293  -2.437
  221   2H5*    G  83          2H5*        G  83  -9.001   5.796  -2.462
  222    H4*    G  83           H4*        G  83  -9.865   8.556  -1.610
  223    H3*    G  83           H3*        G  83  -8.416   7.236  -0.011
  224    H1*    G  83           H1*        G  83 -12.183   6.331   0.202
  225    H8     G  83           H8         G  83  -9.977   3.876  -1.849
  226    H1     G  83           H1         G  83 -15.482   1.421   0.450
  227   1H2     G  83          1H2         G  83 -16.396   2.921   1.833
  228   2H2     G  83          2H2         G  83 -15.722   4.545   1.934
  229   1H2*    G  83          1H2*        G  83  -9.438   5.119  -0.108
  230   2H2*    G  83          2H2*        G  83 -10.242   5.743   1.346
  231   1H5*    T  84          1H5*        T  84 -12.153   7.654   2.857
  232   2H5*    T  84          2H5*        T  84 -11.509   8.438   4.316
  233    H4*    T  84           H4*        T  84 -12.634   6.475   5.071
  234    H3*    T  84           H3*        T  84  -9.812   6.710   5.490
  235   1H2*    T  84          1H2*        T  84  -9.297   4.977   3.995
  236   2H2*    T  84          2H2*        T  84  -9.536   3.992   5.477
  237    H1*    T  84           H1*        T  84 -11.878   3.693   4.979
  238    H3     T  84           H3         T  84 -12.770   0.376   2.058
  239   1H5M    T  84          1H5M        T  84  -7.801   1.343   1.252
  240   2H5M    T  84          2H5M        T  84  -8.774   1.011  -0.194
  241   3H5M    T  84          3H5M        T  84  -8.383   2.681   0.223
  242    H6     T  84           H6         T  84  -9.189   3.578   2.394
  243   1H5*    G  85          1H5*        G  85 -12.772   5.295   9.116
  244   2H5*    G  85          2H5*        G  85 -11.817   5.496  10.599
  245    H4*    G  85           H4*        G  85 -13.322   3.631  10.948
  246    H3*    G  85           H3*        G  85 -10.431   3.107  10.714
  247    H1*    G  85           H1*        G  85 -13.322   0.724   9.360
  248    H8     G  85           H8         G  85 -10.673   2.785   7.427
  249    H1     G  85           H1         G  85 -12.202  -2.936   4.847
  250   1H2     G  85          1H2         G  85 -13.595  -3.987   6.257
  251   2H2     G  85          2H2         G  85 -14.113  -3.193   7.745
  252   1H2*    G  85          1H2*        G  85 -10.477   1.081   9.846
  253   2H2*    G  85          2H2*        G  85 -11.764   0.523  10.953
  254   1H5*    C  86          1H5*        C  86 -12.512   0.145  13.405
  255   2H5*    C  86          2H5*        C  86 -11.589  -0.142  14.885
  256    H4*    C  86           H4*        C  86 -12.407  -2.241  13.933
  257    H3*    C  86           H3*        C  86  -9.562  -1.731  14.356
  258    H1*    C  86           H1*        C  86 -11.290  -3.918  11.547
  259   1H4     C  86          1H4         C  86  -8.708  -2.118   5.995
  260   2H4     C  86          2H4         C  86  -8.070  -0.695   6.752
  261    H5     C  86           H5         C  86  -8.379  -0.073   8.995
  262    H6     C  86           H6         C  86  -9.314  -0.789  11.166
  263   1H2*    C  86          1H2*        C  86  -8.750  -2.658  12.493
  264   2H2*    C  86          2H2*        C  86  -9.509  -4.203  12.910
  265   1H5*    C  87          1H5*        C  87 -11.252  -6.081  14.693
  266   2H5*    C  87          2H5*        C  87 -10.349  -7.153  15.771
  267    H4*    C  87           H4*        C  87 -10.833  -8.234  13.612
  268    H3*    C  87           H3*        C  87  -7.913  -7.606  14.125
  269    H1*    C  87           H1*        C  87  -9.826  -7.866  10.735
  270   1H4     C  87          1H4         C  87  -6.548  -3.323   8.002
  271   2H4     C  87          2H4         C  87  -5.970  -2.737   9.547
  272    H5     C  87           H5         C  87  -6.265  -3.834  11.529
  273    H6     C  87           H6         C  87  -7.494  -5.669  12.709
  274   1H2*    C  87          1H2*        C  87  -7.402  -8.559  12.014
  275   2H2*    C  87          2H2*        C  87  -8.927  -9.480  11.968
  276   1H5*    A  88          1H5*        A  88  -8.498 -11.504  12.604
  277   2H5*    A  88          2H5*        A  88  -7.573 -12.797  13.353
  278    H4*    A  88           H4*        A  88  -7.418 -12.648  10.851
  279    H3*    A  88           H3*        A  88  -5.407 -13.370  12.616
  280    H1*    A  88           H1*        A  88  -4.760 -10.906   9.652
  281    H8     A  88           H8         A  88  -5.179  -9.173  13.134
  282   1H6     A  88          1H6         A  88  -2.545  -4.279  10.264
  283   2H6     A  88          2H6         A  88  -3.293  -4.808  11.770
  284    H2     A  88           H2         A  88  -2.739  -7.501   7.385
  285   1H2*    A  88          1H2*        A  88  -4.256 -11.352  12.609
  286   2H2*    A  88          2H2*        A  88  -3.443 -12.085  11.205
  287   1H5*    A  89          1H5*        A  89  -4.711 -13.424   8.002
  288   2H5*    A  89          2H5*        A  89  -4.094 -15.016   7.549
  289    H4*    A  89           H4*        A  89  -3.319 -13.320   5.996
  290    H3*    A  89           H3*        A  89  -1.630 -15.194   7.151
  291    H1*    A  89           H1*        A  89  -0.671 -11.533   6.673
  292    H8     A  89           H8         A  89  -1.302 -12.332  10.436
  293   1H6     A  89          1H6         A  89   0.642  -6.430  11.254
  294   2H6     A  89          2H6         A  89   0.094  -7.866  12.125
  295    H2     A  89           H2         A  89   0.585  -7.214   7.001
  296   1H2*    A  89          1H2*        A  89  -0.726 -13.746   8.765
  297   2H2*    A  89          2H2*        A  89   0.456 -13.478   7.463
  298   1H5*    A  90          1H5*        A  90   0.105 -12.245   3.786
  299   2H5*    A  90          2H5*        A  90   0.885 -13.319   2.622
  300    H4*    A  90           H4*        A  90   1.935 -11.159   2.540
  301    H3*    A  90           H3*        A  90   3.394 -13.508   2.865
  302    H1*    A  90           H1*        A  90   4.179 -10.217   4.801
  303    H8     A  90           H8         A  90   2.516 -13.049   6.894
  304   1H6     A  90          1H6         A  90   3.098  -8.929  11.604
  305   2H6     A  90          2H6         A  90   2.453 -10.523  11.215
  306    H2     A  90           H2         A  90   5.017  -7.238   8.142
  307   1H2*    A  90          1H2*        A  90   3.935 -13.229   5.102
  308   2H2*    A  90          2H2*        A  90   5.285 -12.269   4.443
  309   1H5*    A  91          1H5*        A  91   6.011  -9.592   2.133
  310   2H5*    A  91          2H5*        A  91   7.472  -9.965   1.205
  311    H4*    A  91           H4*        A  91   8.026  -8.499   3.074
  312    H3*    A  91           H3*        A  91   8.957 -11.370   3.470
  313    H1*    A  91           H1*        A  91   8.124  -8.456   5.876
  314    H8     A  91           H8         A  91   7.224 -12.201   5.795
  315   1H6     A  91          1H6         A  91   5.801 -11.092  11.834
  316   2H6     A  91          2H6         A  91   5.770 -12.362  10.610
  317    H2     A  91           H2         A  91   7.659  -7.542  10.233
  318    H3T    A  91           H3T        A  91   9.938  -9.108   2.162
  319   1H2*    A  91          1H2*        A  91   9.821 -10.808   5.526
  320   2H2*    A  91          2H2*        A  91  10.124  -9.110   5.063
  321   1H    HIS   1          1H        HIS   1 -12.682  10.170   0.007
  322   2H    HIS   1          2H        HIS   1 -11.971  10.946   1.266
  323   3H    HIS   1          3H        HIS   1 -11.096   9.911   0.350
  324    HA   HIS   1           HA       HIS   1 -12.258  12.431  -0.633
  325   2HB   HIS   1          2HB       HIS   1  -9.336  11.849  -0.081
  326    HD1  HIS   1           HD1      HIS   1  -7.836  13.716  -1.113
  327    HD2  HIS   1           HD2      HIS   1 -11.908  14.774  -0.763
  328    HE1  HIS   1           HE1      HIS   1  -8.076  16.016  -2.190
  329    H    MET   2           H        MET   2 -13.185  11.827  -2.388
  330    HA   MET   2           HA       MET   2 -12.010   9.986  -4.281
  331   2HB   MET   2          2HB       MET   2 -13.962  10.768  -5.705
  332   2HG   MET   2          2HG       MET   2 -14.007   8.744  -4.293
  333   1HE   MET   2          1HE       MET   2 -16.402   7.734  -2.698
  334   2HE   MET   2          2HE       MET   2 -14.733   7.200  -2.386
  335   3HE   MET   2          3HE       MET   2 -15.773   7.700  -1.034
  336    H    LEU   3           H        LEU   3 -10.018  11.264  -4.156
  337    HA   LEU   3           HA       LEU   3  -9.219  13.198  -6.032
  338   2HB   LEU   3          2HB       LEU   3  -7.180  11.630  -6.230
  339    HG   LEU   3           HG       LEU   3  -8.018  12.013  -3.342
  340   1HD1  LEU   3          1HD1      LEU   3  -5.215  12.132  -4.518
  341   2HD1  LEU   3          2HD1      LEU   3  -5.744  11.818  -2.822
  342   3HD1  LEU   3          3HD1      LEU   3  -5.942  10.599  -4.085
  343   1HD2  LEU   3          1HD2      LEU   3  -6.760  13.935  -5.331
  344   2HD2  LEU   3          2HD2      LEU   3  -8.234  14.185  -4.372
  345   3HD2  LEU   3          3HD2      LEU   3  -6.668  14.163  -3.569
  346    H    THR   4           H        THR   4  -7.854  12.466  -7.966
  347    HA   THR   4           HA       THR   4  -9.793  11.919 -10.094
  348    HB   THR   4           HB       THR   4  -8.032  12.501 -11.649
  349    HG1  THR   4           HG1      THR   4  -5.994  13.109 -10.700
  350   1HG2  THR   4          1HG2      THR   4  -7.522  14.758 -10.955
  351   2HG2  THR   4          2HG2      THR   4  -9.186  14.360 -10.500
  352   3HG2  THR   4          3HG2      THR   4  -7.910  14.383  -9.267
  353    H    GLN   5           H        GLN   5  -8.330  10.672 -12.084
  354    HA   GLN   5           HA       GLN   5  -8.663   7.916 -11.710
  355   2HB   GLN   5          2HB       GLN   5  -8.466   9.062 -13.863
  356   2HG   GLN   5          2HG       GLN   5  -5.458   9.132 -13.357
  357   1HE2  GLN   5          1HE2      GLN   5  -7.514  11.030 -15.618
  358   2HE2  GLN   5          2HE2      GLN   5  -6.741  10.363 -17.056
  359    HN2  GLY   6           HN2      GLY   6  -5.934   9.861 -10.639
  360   1HA   GLY   6          1HA       GLY   6  -5.245   7.885  -8.736
  361   2HA   GLY   6          2HA       GLY   6  -4.101   7.745 -10.075
  362    H    GLU   7           H        GLU   7  -5.529  10.666  -8.301
  363    HA   GLU   7           HA       GLU   7  -3.118  12.112  -8.582
  364   2HB   GLU   7          2HB       GLU   7  -4.710  13.144  -6.423
  365   2HG   GLU   7          2HG       GLU   7  -4.441  13.861  -9.367
  366    H    LEU   8           H        LEU   8  -3.884   9.693  -6.358
  367    HA   LEU   8           HA       LEU   8  -1.456  10.428  -4.737
  368   2HB   LEU   8          2HB       LEU   8  -3.565  10.129  -3.497
  369    HG   LEU   8           HG       LEU   8  -4.018   7.818  -4.977
  370   1HD1  LEU   8          1HD1      LEU   8  -3.032   7.026  -2.185
  371   2HD1  LEU   8          2HD1      LEU   8  -3.759   5.932  -3.353
  372   3HD1  LEU   8          3HD1      LEU   8  -2.170   6.651  -3.693
  373   1HD2  LEU   8          1HD2      LEU   8  -5.935   8.469  -4.028
  374   2HD2  LEU   8          2HD2      LEU   8  -5.555   7.215  -2.846
  375   3HD2  LEU   8          3HD2      LEU   8  -5.179   8.908  -2.483
  376    H    MET   9           H        MET   9  -2.457   8.349  -7.245
  377    HA   MET   9           HA       MET   9  -0.782   6.028  -6.606
  378   2HB   MET   9          2HB       MET   9  -2.917   6.714  -8.529
  379   2HG   MET   9          2HG       MET   9  -0.585   5.070  -9.440
  380   1HE   MET   9          1HE       MET   9  -1.262   5.002 -12.501
  381   2HE   MET   9          2HE       MET   9  -0.648   3.563 -11.656
  382   3HE   MET   9          3HE       MET   9  -2.081   3.436 -12.696
  383    H    LYS  10           H        LYS  10  -0.797   8.501  -9.153
  384    HA   LYS  10           HA       LYS  10   1.836   7.656 -10.127
  385   2HB   LYS  10          2HB       LYS  10   0.032   8.273 -11.630
  386   2HG   LYS  10          2HG       LYS  10   0.386  11.201 -11.111
  387   2HD   LYS  10          2HD       LYS  10  -2.157   9.672 -11.796
  388   2HE   LYS  10          2HE       LYS  10  -1.233  12.560 -12.102
  389   1HZ   LYS  10          1HZ       LYS  10  -3.467  12.926 -12.952
  390   2HZ   LYS  10          2HZ       LYS  10  -2.686  11.873 -13.924
  391   3HZ   LYS  10          3HZ       LYS  10  -3.820  11.330 -12.878
  392    H    LEU  11           H        LEU  11   1.531   8.845  -7.416
  393    HA   LEU  11           HA       LEU  11   3.535  11.051  -7.409
  394   2HB   LEU  11          2HB       LEU  11   2.287  11.853  -5.350
  395    HG   LEU  11           HG       LEU  11   0.501  13.067  -6.353
  396   1HD1  LEU  11          1HD1      LEU  11   2.827  13.768  -6.877
  397   2HD1  LEU  11          2HD1      LEU  11   2.754  12.810  -8.375
  398   3HD1  LEU  11          3HD1      LEU  11   1.671  14.204  -8.156
  399   1HD2  LEU  11          1HD2      LEU  11  -0.257  11.000  -7.787
  400   2HD2  LEU  11          2HD2      LEU  11  -0.486  12.642  -8.442
  401   3HD2  LEU  11          3HD2      LEU  11   0.882  11.654  -8.971
  402    H    ILE  12           H        ILE  12   2.120   8.197  -5.655
  403    HA   ILE  12           HA       ILE  12   3.934   8.510  -3.420
  404    HB   ILE  12           HB       ILE  12   3.491   6.064  -3.029
  405   2HG1  ILE  12          2HG1      ILE  12   2.568   5.938  -5.651
  406   1HG2  ILE  12          1HG2      ILE  12   1.107   6.483  -2.351
  407   2HG2  ILE  12          2HG2      ILE  12   2.301   7.675  -1.766
  408   3HG2  ILE  12          3HG2      ILE  12   1.229   8.070  -3.115
  409   1HD1  ILE  12          1HD1      ILE  12   3.205   3.988  -4.312
  410   2HD1  ILE  12          2HD1      ILE  12   1.814   4.236  -3.223
  411   3HD1  ILE  12          3HD1      ILE  12   1.547   3.741  -4.891
  412    H    LYS  13           H        LYS  13   4.299   7.006  -6.556
  413    HA   LYS  13           HA       LYS  13   6.959   5.832  -5.793
  414   2HB   LYS  13          2HB       LYS  13   5.549   4.479  -7.166
  415   2HG   LYS  13          2HG       LYS  13   4.430   6.440  -8.495
  416   2HD   LYS  13          2HD       LYS  13   6.738   5.718 -10.365
  417   2HE   LYS  13          2HE       LYS  13   4.314   7.542 -10.714
  418   1HZ   LYS  13          1HZ       LYS  13   5.129   7.703 -12.983
  419   2HZ   LYS  13          2HZ       LYS  13   6.433   6.778 -12.644
  420   3HZ   LYS  13          3HZ       LYS  13   6.277   8.260 -11.961
  421    H    GLU  14           H        GLU  14   5.856   8.751  -6.839
  422    HA   GLU  14           HA       GLU  14   8.169   9.469  -8.571
  423   2HB   GLU  14          2HB       GLU  14   5.622  11.053  -8.117
  424   2HG   GLU  14          2HG       GLU  14   7.365  12.249  -9.413
  425    H    ILE  15           H        ILE  15   6.942   9.984  -5.373
  426    HA   ILE  15           HA       ILE  15   9.002  12.083  -4.901
  427    HB   ILE  15           HB       ILE  15   7.959  12.576  -2.837
  428   2HG1  ILE  15          2HG1      ILE  15   6.428  10.061  -3.260
  429   1HG2  ILE  15          1HG2      ILE  15   7.157  13.714  -4.871
  430   2HG2  ILE  15          2HG2      ILE  15   5.826  12.544  -4.999
  431   3HG2  ILE  15          3HG2      ILE  15   5.925  13.629  -3.600
  432   1HD1  ILE  15          1HD1      ILE  15   6.917  11.797  -0.800
  433   2HD1  ILE  15          2HD1      ILE  15   6.308  10.129  -0.816
  434   3HD1  ILE  15          3HD1      ILE  15   7.974  10.476  -1.344
  435    H    VAL  16           H        VAL  16   7.790   8.863  -3.663
  436    HA   VAL  16           HA       VAL  16   9.871   8.677  -1.772
  437    HB   VAL  16           HB       VAL  16   8.301   6.420  -3.086
  438   1HG1  VAL  16          1HG1      VAL  16  10.250   5.409  -2.171
  439   2HG1  VAL  16          2HG1      VAL  16  10.217   6.456  -0.741
  440   3HG1  VAL  16          3HG1      VAL  16   8.987   5.174  -0.959
  441   1HG2  VAL  16          1HG2      VAL  16   6.908   8.019  -1.757
  442   2HG2  VAL  16          2HG2      VAL  16   7.022   6.437  -0.988
  443   3HG2  VAL  16          3HG2      VAL  16   7.980   7.802  -0.376
  444    H    GLU  17           H        GLU  17   9.794   7.669  -5.190
  445    HA   GLU  17           HA       GLU  17  12.501   6.419  -4.866
  446   2HB   GLU  17          2HB       GLU  17  12.394   5.744  -7.151
  447   2HG   GLU  17          2HG       GLU  17   9.651   5.141  -5.990
  448    H    ASN  18           H        ASN  18  11.570   9.532  -4.923
  449    HA   ASN  18           HA       ASN  18  13.882  10.434  -6.526
  450   2HB   ASN  18          2HB       ASN  18  11.638  12.272  -5.726
  451   1HD2  ASN  18          1HD2      ASN  18  12.920  10.767  -8.689
  452   2HD2  ASN  18          2HD2      ASN  18  13.536  12.261  -9.384
  453    H    GLU  19           H        GLU  19  12.661  10.187  -3.317
  454    HA   GLU  19           HA       GLU  19  14.278  12.417  -2.252
  455   2HB   GLU  19          2HB       GLU  19  13.284  11.560  -0.051
  456   2HG   GLU  19          2HG       GLU  19  10.900  12.182  -0.556
  457    H    ASP  20           H        ASP  20  14.051   9.220  -0.739
  458    HA   ASP  20           HA       ASP  20  16.971   8.911  -1.066
  459   2HB   ASP  20          2HB       ASP  20  15.693   8.372   1.600
  460    H    LYS  21           H        LYS  21  16.786   7.404  -2.464
  461    HA   LYS  21           HA       LYS  21  15.411   4.894  -2.384
  462   2HB   LYS  21          2HB       LYS  21  17.259   4.110  -3.888
  463   2HG   LYS  21          2HG       LYS  21  16.260   6.904  -4.590
  464   2HD   LYS  21          2HD       LYS  21  17.114   4.552  -6.337
  465   2HE   LYS  21          2HE       LYS  21  16.162   7.369  -7.018
  466   1HZ   LYS  21          1HZ       LYS  21  16.966   5.144  -8.814
  467   2HZ   LYS  21          2HZ       LYS  21  17.832   6.512  -8.573
  468   3HZ   LYS  21          3HZ       LYS  21  16.371   6.585  -9.296
  469    H    ARG  22           H        ARG  22  17.912   5.911  -0.290
  470    HA   ARG  22           HA       ARG  22  18.043   3.161   0.843
  471   2HB   ARG  22          2HB       ARG  22  20.168   3.451  -0.049
  472   2HG   ARG  22          2HG       ARG  22  21.775   5.108   1.026
  473   2HD   ARG  22          2HD       ARG  22  19.851   6.421  -0.931
  474    HE   ARG  22           HE       ARG  22  22.741   6.633  -1.281
  475   1HH1  ARG  22          1HH1      ARG  22  20.055   8.219   0.351
  476   2HH1  ARG  22          2HH1      ARG  22  20.924   9.729   0.440
  477   1HH2  ARG  22          1HH2      ARG  22  23.755   8.571  -1.138
  478   2HH2  ARG  22          2HH2      ARG  22  22.942   9.926  -0.395
  479    H    LYS  23           H        LYS  23  16.508   5.910   1.436
  480    HA   LYS  23           HA       LYS  23  15.983   4.886   4.160
  481   2HB   LYS  23          2HB       LYS  23  15.712   7.136   5.135
  482   2HG   LYS  23          2HG       LYS  23  18.579   6.661   4.224
  483   2HD   LYS  23          2HD       LYS  23  19.111   7.547   6.495
  484   2HE   LYS  23          2HE       LYS  23  17.540   9.478   4.733
  485   1HZ   LYS  23          1HZ       LYS  23  19.032  11.112   5.705
  486   2HZ   LYS  23          2HZ       LYS  23  19.722   9.995   6.676
  487   3HZ   LYS  23          3HZ       LYS  23  18.157  10.416   6.893
  488    HA   PRO  24           HA       PRO  24  12.362   5.529   1.357
  489   2HB   PRO  24          2HB       PRO  24  12.514   3.271   0.786
  490   2HG   PRO  24          2HG       PRO  24  13.145   1.621   2.417
  491   2HD   PRO  24          2HD       PRO  24  14.875   3.120   2.317
  492    H    TYR  25           H        TYR  25  10.044   5.715   1.723
  493    HA   TYR  25           HA       TYR  25   9.212   6.341   4.516
  494   2HB   TYR  25          2HB       TYR  25   7.230   7.325   3.500
  495    HD1  TYR  25           HD2      TYR  25   9.899   7.853   0.920
  496    HD2  TYR  25           HD1      TYR  25   7.795   9.433   4.330
  497    HE1  TYR  25           HE2      TYR  25  10.958  10.037   0.525
  498    HE2  TYR  25           HE1      TYR  25   8.952  11.621   4.018
  499    HH   TYR  25           HH       TYR  25  11.233  12.216   1.355
  500    H    SER  26           H        SER  26   6.709   5.749   4.774
  501    HA   SER  26           HA       SER  26   6.197   2.912   4.064
  502   2HB   SER  26          2HB       SER  26   7.180   2.844   6.302
  503    HG   SER  26           HG       SER  26   6.814   4.839   7.127
  504    H    ASP  27           H        ASP  27   3.860   2.380   4.604
  505    HA   ASP  27           HA       ASP  27   2.179   4.121   3.216
  506   2HB   ASP  27          2HB       ASP  27   1.755   1.802   3.304
  507    H    GLN  28           H        GLN  28   2.664   4.111   6.774
  508    HA   GLN  28           HA       GLN  28   0.648   6.153   7.242
  509   2HB   GLN  28          2HB       GLN  28   3.077   5.191   8.792
  510   2HG   GLN  28          2HG       GLN  28   2.742   7.500   9.454
  511   1HE2  GLN  28          1HE2      GLN  28   1.026   8.737   8.260
  512   2HE2  GLN  28          2HE2      GLN  28  -0.570   8.865   8.997
  513    H    GLU  29           H        GLU  29   4.260   6.295   6.707
  514    HA   GLU  29           HA       GLU  29   4.370   9.099   7.099
  515   2HB   GLU  29          2HB       GLU  29   6.599   8.828   6.016
  516   2HG   GLU  29          2HG       GLU  29   5.865   6.875   8.219
  517    H    ILE  30           H        ILE  30   4.235   7.278   3.982
  518    HA   ILE  30           HA       ILE  30   4.106   9.669   2.380
  519    HB   ILE  30           HB       ILE  30   3.382   8.366   0.552
  520   2HG1  ILE  30          2HG1      ILE  30   1.712   6.946   1.348
  521   1HG2  ILE  30          1HG2      ILE  30   5.392   6.706   2.083
  522   2HG2  ILE  30          2HG2      ILE  30   5.267   6.952   0.333
  523   3HG2  ILE  30          3HG2      ILE  30   5.763   8.298   1.361
  524   1HD1  ILE  30          1HD1      ILE  30   3.958   4.971   0.862
  525   2HD1  ILE  30          2HD1      ILE  30   2.239   4.711   0.583
  526   3HD1  ILE  30          3HD1      ILE  30   3.128   5.846  -0.445
  527    H    ALA  31           H        ALA  31   1.565   7.896   4.119
  528    HA   ALA  31           HA       ALA  31  -0.643   9.277   2.775
  529   1HB   ALA  31          1HB       ALA  31  -0.399   7.958   5.524
  530   2HB   ALA  31          2HB       ALA  31  -1.909   8.655   4.910
  531   3HB   ALA  31          3HB       ALA  31  -1.166   7.298   4.070
  532    H    ASN  32           H        ASN  32   1.454  10.082   5.492
  533    HA   ASN  32           HA       ASN  32  -0.058  12.324   6.462
  534   2HB   ASN  32          2HB       ASN  32   2.866  11.573   6.845
  535   1HD2  ASN  32          1HD2      ASN  32   3.890  13.444   7.610
  536   2HD2  ASN  32          2HD2      ASN  32   3.149  14.510   8.798
  537    H    ILE  33           H        ILE  33   2.957  12.230   4.502
  538    HA   ILE  33           HA       ILE  33   3.151  15.085   4.213
  539    HB   ILE  33           HB       ILE  33   4.127  13.007   2.251
  540   2HG1  ILE  33          2HG1      ILE  33   4.879  13.182   5.010
  541   1HG2  ILE  33          1HG2      ILE  33   5.070  15.838   2.764
  542   2HG2  ILE  33          2HG2      ILE  33   5.995  14.629   1.834
  543   3HG2  ILE  33          3HG2      ILE  33   4.402  15.125   1.275
  544   1HD1  ILE  33          1HD1      ILE  33   5.017  11.347   3.275
  545   2HD1  ILE  33          2HD1      ILE  33   6.539  12.070   2.738
  546   3HD1  ILE  33          3HD1      ILE  33   6.375  11.455   4.420
  547    H    LEU  34           H        LEU  34   1.387  12.691   2.364
  548    HA   LEU  34           HA       LEU  34   0.621  14.305   0.091
  549   2HB   LEU  34          2HB       LEU  34  -1.307  12.426   0.258
  550    HG   LEU  34           HG       LEU  34   0.087  12.226  -1.604
  551   1HD1  LEU  34          1HD1      LEU  34   2.189  13.114  -0.848
  552   2HD1  LEU  34          2HD1      LEU  34   2.454  11.733   0.235
  553   3HD1  LEU  34          3HD1      LEU  34   2.471  11.511  -1.531
  554   1HD2  LEU  34          1HD2      LEU  34   0.628   9.791   0.131
  555   2HD2  LEU  34          2HD2      LEU  34  -0.823  10.083  -0.845
  556   3HD2  LEU  34          3HD2      LEU  34   0.739   9.864  -1.641
  557    H    LYS  35           H        LYS  35  -0.418  14.270   3.359
  558    HA   LYS  35           HA       LYS  35  -3.021  15.596   2.744
  559   2HB   LYS  35          2HB       LYS  35  -2.303  13.938   4.765
  560   2HG   LYS  35          2HG       LYS  35  -2.535  16.635   6.148
  561   2HD   LYS  35          2HD       LYS  35  -1.394  13.979   7.084
  562   2HE   LYS  35          2HE       LYS  35  -2.187  16.479   8.637
  563   1HZ   LYS  35          1HZ       LYS  35  -0.599  14.118   9.477
  564   2HZ   LYS  35          2HZ       LYS  35  -1.039  15.368  10.431
  565   3HZ   LYS  35          3HZ       LYS  35  -2.183  14.340   9.876
  566    H    GLU  36           H        GLU  36   0.206  16.587   3.008
  567    HA   GLU  36           HA       GLU  36  -0.424  19.268   4.127
  568   2HB   GLU  36          2HB       GLU  36   1.963  19.658   4.035
  569   2HG   GLU  36          2HG       GLU  36   1.563  16.849   5.124
  570    H    LYS  37           H        LYS  37  -0.364  17.753   1.045
  571    HA   LYS  37           HA       LYS  37  -0.077  20.425  -0.303
  572   2HB   LYS  37          2HB       LYS  37   1.944  19.228  -0.559
  573   2HG   LYS  37          2HG       LYS  37   0.362  17.009  -1.892
  574   2HD   LYS  37          2HD       LYS  37   2.824  17.510  -2.588
  575   2HE   LYS  37          2HE       LYS  37   3.294  16.180   0.110
  576   1HZ   LYS  37          1HZ       LYS  37   5.174  17.517  -1.764
  577   2HZ   LYS  37          2HZ       LYS  37   5.596  16.842  -0.341
  578   3HZ   LYS  37          3HZ       LYS  37   5.051  15.897  -1.561
  579    HN2  GLY  38           HN2      GLY  38  -2.004  17.384  -0.370
  580   1HA   GLY  38          1HA       GLY  38  -4.216  18.929  -0.432
  581   2HA   GLY  38          2HA       GLY  38  -3.893  18.814  -2.159
  582    H    PHE  39           H        PHE  39  -2.928  15.861  -0.719
  583    HA   PHE  39           HA       PHE  39  -5.149  14.690  -2.185
  584   2HB   PHE  39          2HB       PHE  39  -3.818  12.668  -2.138
  585    HD1  PHE  39           HD1      PHE  39  -4.005  13.992  -4.414
  586    HD2  PHE  39           HD2      PHE  39  -0.779  14.453  -1.573
  587    HE1  PHE  39           HE1      PHE  39  -2.618  14.982  -6.168
  588    HE2  PHE  39           HE2      PHE  39   0.636  15.419  -3.370
  589    HZ   PHE  39           HZ       PHE  39  -0.272  15.715  -5.670
  590    H    LYS  40           H        LYS  40  -4.179  15.095   1.033
  591    HA   LYS  40           HA       LYS  40  -4.449  13.908   3.036
  592   2HB   LYS  40          2HB       LYS  40  -5.757  15.900   3.128
  593   2HG   LYS  40          2HG       LYS  40  -7.649  14.384   1.407
  594   2HD   LYS  40          2HD       LYS  40  -9.559  15.844   2.122
  595   2HE   LYS  40          2HE       LYS  40  -8.520  13.877   4.210
  596   1HZ   LYS  40          1HZ       LYS  40 -11.286  14.837   3.704
  597   2HZ   LYS  40          2HZ       LYS  40 -10.873  13.660   4.759
  598   3HZ   LYS  40          3HZ       LYS  40 -10.392  15.199   5.026
  599    H    VAL  41           H        VAL  41  -4.226  11.943   1.355
  600    HA   VAL  41           HA       VAL  41  -6.532  10.100   1.581
  601    HB   VAL  41           HB       VAL  41  -5.621   9.932  -0.525
  602   1HG1  VAL  41          1HG1      VAL  41  -2.891   9.543   0.803
  603   2HG1  VAL  41          2HG1      VAL  41  -3.217   9.297  -0.919
  604   3HG1  VAL  41          3HG1      VAL  41  -3.403  10.903  -0.224
  605   1HG2  VAL  41          1HG2      VAL  41  -6.161   7.717   0.476
  606   2HG2  VAL  41          2HG2      VAL  41  -4.821   7.575  -0.668
  607   3HG2  VAL  41          3HG2      VAL  41  -4.483   7.561   1.040
  608    H    ALA  42           H        ALA  42  -6.563   8.305   2.869
  609    HA   ALA  42           HA       ALA  42  -5.008   8.273   5.298
  610   1HB   ALA  42          1HB       ALA  42  -7.457   7.907   5.255
  611   2HB   ALA  42          2HB       ALA  42  -7.234   6.458   4.255
  612   3HB   ALA  42          3HB       ALA  42  -6.624   6.492   5.921
  613    H    ARG  43           H        ARG  43  -4.031   6.390   6.111
  614    HA   ARG  43           HA       ARG  43  -2.042   5.187   4.487
  615   2HB   ARG  43          2HB       ARG  43  -3.036   4.660   7.302
  616   2HG   ARG  43          2HG       ARG  43  -0.617   3.563   7.432
  617   2HD   ARG  43          2HD       ARG  43  -3.267   2.310   6.833
  618    HE   ARG  43           HE       ARG  43  -0.753   0.927   6.214
  619   1HH1  ARG  43          1HH1      ARG  43  -3.982   0.254   7.325
  620   2HH1  ARG  43          2HH1      ARG  43  -3.934  -1.355   6.630
  621   1HH2  ARG  43          1HH2      ARG  43  -0.811  -0.876   5.279
  622   2HH2  ARG  43          2HH2      ARG  43  -2.239  -1.928   5.276
  623    H    ARG  44           H        ARG  44  -5.278   4.135   4.963
  624    HA   ARG  44           HA       ARG  44  -4.891   1.251   4.577
  625   2HB   ARG  44          2HB       ARG  44  -7.441   1.528   4.042
  626   2HG   ARG  44          2HG       ARG  44  -6.437   0.724   6.253
  627   2HD   ARG  44          2HD       ARG  44  -7.196   3.531   7.169
  628    HE   ARG  44           HE       ARG  44  -6.130   1.178   8.716
  629   1HH1  ARG  44          1HH1      ARG  44  -8.090   4.141   8.859
  630   2HH1  ARG  44          2HH1      ARG  44  -8.407   3.834  10.550
  631   1HH2  ARG  44          1HH2      ARG  44  -6.687   0.936  10.825
  632   2HH2  ARG  44          2HH2      ARG  44  -7.801   2.082  11.545
  633    H    THR  45           H        THR  45  -5.566   4.041   2.496
  634    HA   THR  45           HA       THR  45  -6.114   2.564   0.111
  635    HB   THR  45           HB       THR  45  -5.449   5.505   0.552
  636    HG1  THR  45           HG1      THR  45  -7.339   5.987   1.339
  637   1HG2  THR  45          1HG2      THR  45  -5.819   4.685  -1.768
  638   2HG2  THR  45          2HG2      THR  45  -7.481   4.250  -1.303
  639   3HG2  THR  45          3HG2      THR  45  -6.925   5.947  -1.233
  640    H    VAL  46           H        VAL  46  -3.657   4.782   1.372
  641    HA   VAL  46           HA       VAL  46  -2.168   4.827  -0.935
  642    HB   VAL  46           HB       VAL  46  -2.250   6.316   1.284
  643   1HG1  VAL  46          1HG1      VAL  46   0.339   4.779   1.688
  644   2HG1  VAL  46          2HG1      VAL  46  -0.183   6.224   2.530
  645   3HG1  VAL  46          3HG1      VAL  46  -1.086   4.703   2.722
  646   1HG2  VAL  46          1HG2      VAL  46   0.263   6.129  -0.388
  647   2HG2  VAL  46          2HG2      VAL  46  -1.221   6.951  -0.908
  648   3HG2  VAL  46          3HG2      VAL  46  -0.337   7.553   0.494
  649    H    ALA  47           H        ALA  47  -2.150   2.578   1.725
  650    HA   ALA  47           HA       ALA  47   0.348   1.310   1.381
  651   1HB   ALA  47          1HB       ALA  47  -2.347   0.345   2.477
  652   2HB   ALA  47          2HB       ALA  47  -0.815  -0.547   2.645
  653   3HB   ALA  47          3HB       ALA  47  -1.020   1.033   3.412
  654    H    LYS  48           H        LYS  48  -2.943   0.679   0.165
  655    HA   LYS  48           HA       LYS  48  -2.138  -1.763  -1.221
  656   2HB   LYS  48          2HB       LYS  48  -4.650  -1.431  -2.072
  657   2HG   LYS  48          2HG       LYS  48  -3.818  -2.046   0.807
  658   2HD   LYS  48          2HD       LYS  48  -5.790  -3.654   0.656
  659   2HE   LYS  48          2HE       LYS  48  -6.448  -0.678   0.738
  660   1HZ   LYS  48          1HZ       LYS  48  -8.425  -2.019   0.815
  661   2HZ   LYS  48          2HZ       LYS  48  -7.764  -3.064   1.902
  662   3HZ   LYS  48          3HZ       LYS  48  -8.125  -1.543   2.357
  663    H    TYR  49           H        TYR  49  -1.896   1.473  -2.029
  664    HA   TYR  49           HA       TYR  49  -2.022   1.074  -4.940
  665   2HB   TYR  49          2HB       TYR  49  -1.039   3.491  -4.811
  666    HD1  TYR  49           HD2      TYR  49  -4.102   1.606  -3.679
  667    HD2  TYR  49           HD1      TYR  49  -2.506   5.112  -5.603
  668    HE1  TYR  49           HE2      TYR  49  -6.292   1.987  -4.784
  669    HE2  TYR  49           HE1      TYR  49  -4.735   5.512  -6.700
  670    HH   TYR  49           HH       TYR  49  -7.258   4.648  -5.875
  671    H    ARG  50           H        ARG  50   0.622   1.649  -2.567
  672    HA   ARG  50           HA       ARG  50   2.684   1.568  -4.581
  673   2HB   ARG  50          2HB       ARG  50   3.355   2.412  -2.506
  674   2HG   ARG  50          2HG       ARG  50   2.618  -0.232  -1.220
  675   2HD   ARG  50          2HD       ARG  50   4.820   0.166  -0.392
  676    HE   ARG  50           HE       ARG  50   4.386   2.940  -0.795
  677   1HH1  ARG  50          1HH1      ARG  50   5.929   0.985   1.721
  678   2HH1  ARG  50          2HH1      ARG  50   7.151   2.208   1.974
  679   1HH2  ARG  50          1HH2      ARG  50   5.999   4.399  -0.359
  680   2HH2  ARG  50          2HH2      ARG  50   7.144   4.040   0.913
  681    H    GLU  51           H        GLU  51   0.753  -0.929  -3.453
  682    HA   GLU  51           HA       GLU  51   2.406  -3.236  -4.133
  683   2HB   GLU  51          2HB       GLU  51  -0.627  -3.009  -4.076
  684   2HG   GLU  51          2HG       GLU  51   1.247  -5.396  -3.731
  685    H    MET  52           H        MET  52  -0.070  -1.417  -5.941
  686    HA   MET  52           HA       MET  52   0.116  -3.282  -8.221
  687   2HB   MET  52          2HB       MET  52  -2.076  -2.474  -7.427
  688   2HG   MET  52          2HG       MET  52  -1.179   0.187  -8.602
  689   1HE   MET  52          1HE       MET  52  -4.383   2.290  -8.186
  690   2HE   MET  52          2HE       MET  52  -3.071   2.035  -7.014
  691   3HE   MET  52          3HE       MET  52  -2.691   2.237  -8.734
  692    H    LEU  53           H        LEU  53   1.314  -0.088  -7.472
  693    HA   LEU  53           HA       LEU  53   1.953   0.718 -10.182
  694   2HB   LEU  53          2HB       LEU  53   3.546   2.285  -8.736
  695    HG   LEU  53           HG       LEU  53   0.573   2.241  -9.188
  696   1HD1  LEU  53          1HD1      LEU  53   0.090   4.130  -7.711
  697   2HD1  LEU  53          2HD1      LEU  53   0.671   2.769  -6.773
  698   3HD1  LEU  53          3HD1      LEU  53   1.768   4.115  -7.125
  699   1HD2  LEU  53          1HD2      LEU  53   2.606   4.472  -9.325
  700   2HD2  LEU  53          2HD2      LEU  53   2.447   3.252 -10.603
  701   3HD2  LEU  53          3HD2      LEU  53   1.106   4.349 -10.253
  702    HN2  GLY  54           HN2      GLY  54   4.107  -0.343  -7.561
  703   1HA   GLY  54          1HA       GLY  54   5.417  -2.354  -9.124
  704   2HA   GLY  54          2HA       GLY  54   6.350  -0.872  -9.305
  705    H    ILE  55           H        ILE  55   5.101  -1.035  -6.115
  706    HA   ILE  55           HA       ILE  55   7.844  -1.663  -5.173
  707    HB   ILE  55           HB       ILE  55   5.680   0.195  -4.282
  708   2HG1  ILE  55          2HG1      ILE  55   7.647   0.641  -6.007
  709   1HG2  ILE  55          1HG2      ILE  55   8.082  -0.625  -2.620
  710   2HG2  ILE  55          2HG2      ILE  55   7.079   0.798  -2.293
  711   3HG2  ILE  55          3HG2      ILE  55   6.368  -0.808  -2.173
  712   1HD1  ILE  55          1HD1      ILE  55   7.084   2.615  -3.750
  713   2HD1  ILE  55          2HD1      ILE  55   7.758   2.992  -5.346
  714   3HD1  ILE  55          3HD1      ILE  55   6.091   2.394  -5.208
  715    HA   PRO  56           HA       PRO  56   6.110  -5.109  -2.736
  716   2HB   PRO  56          2HB       PRO  56   8.059  -6.233  -3.049
  717   2HG   PRO  56          2HG       PRO  56  10.074  -5.116  -3.411
  718   2HD   PRO  56          2HD       PRO  56   8.872  -3.667  -4.791
  719    H    SER  57           H        SER  57   8.499  -3.299  -0.899
  720    HA   SER  57           HA       SER  57   6.480  -1.669   0.515
  721   2HB   SER  57          2HB       SER  57   6.889  -3.829   1.789
  722    HG   SER  57           HG       SER  57   8.785  -3.924   2.972
  723    H    SER  58           H        SER  58   9.310  -1.867  -1.056
  724    HA   SER  58           HA       SER  58  11.311  -0.914  -1.281
  725   2HB   SER  58          2HB       SER  58  11.524   1.556  -0.793
  726    HG   SER  58           HG       SER  58   9.889   2.005  -2.414
  727    H    ARG  59           H        ARG  59  10.412  -1.726   1.768
  728    HA   ARG  59           HA       ARG  59  12.740  -0.635   3.236
  729   2HB   ARG  59          2HB       ARG  59  10.728  -2.765   4.087
  730   2HG   ARG  59          2HG       ARG  59  12.291  -0.717   5.721
  731   2HD   ARG  59          2HD       ARG  59  10.659  -3.151   6.574
  732    HE   ARG  59           HE       ARG  59  11.954  -2.626   8.467
  733   1HH1  ARG  59          1HH1      ARG  59  10.505   0.354   7.349
  734   2HH1  ARG  59          2HH1      ARG  59  10.314   0.953   8.976
  735   1HH2  ARG  59          1HH2      ARG  59  12.076  -1.614  10.433
  736   2HH2  ARG  59          2HH2      ARG  59  11.455   0.011  10.599
  737    H    GLU  60           H        GLU  60  11.526  -3.621   1.861
  738    HA   GLU  60           HA       GLU  60  13.920  -5.161   2.419
  739   2HB   GLU  60          2HB       GLU  60  12.097  -6.529   2.384
  740   2HG   GLU  60          2HG       GLU  60  11.055  -5.174  -0.151
  741    H    ARG  61           H        ARG  61  12.976  -3.053  -0.142
  742    HA   ARG  61           HA       ARG  61  15.085  -3.848  -2.032
  743   2HB   ARG  61          2HB       ARG  61  14.575  -1.643  -3.095
  744   2HG   ARG  61          2HG       ARG  61  12.166  -3.401  -2.455
  745   2HD   ARG  61          2HD       ARG  61  11.406  -1.252  -3.355
  746    HE   ARG  61           HE       ARG  61  13.407  -1.726  -5.530
  747   1HH1  ARG  61          1HH1      ARG  61  10.954   0.499  -4.218
  748   2HH1  ARG  61          2HH1      ARG  61  11.239   1.571  -5.601
  749   1HH2  ARG  61          1HH2      ARG  61  13.652  -0.142  -7.115
  750   2HH2  ARG  61          2HH2      ARG  61  12.596   1.274  -7.007
  751    H    ARG  62           H        ARG  62  14.746  -1.377   0.548
  752    HA   ARG  62           HA       ARG  62  17.280  -0.108   0.097
  753   2HB   ARG  62          2HB       ARG  62  15.198  -0.141   2.309
  754   2HG   ARG  62          2HG       ARG  62  16.708   2.277   2.293
  755   2HD   ARG  62          2HD       ARG  62  16.554   0.027   4.297
  756    HE   ARG  62           HE       ARG  62  17.870   2.634   4.432
  757   1HH1  ARG  62          1HH1      ARG  62  16.108   0.438   6.519
  758   2HH1  ARG  62          2HH1      ARG  62  16.840   1.095   7.965
  759   1HH2  ARG  62          1HH2      ARG  62  18.767   3.395   6.269
  760   2HH2  ARG  62          2HH2      ARG  62  18.308   2.735   7.819
  761    H    ILE  63           H        ILE  63  16.197  -2.215   2.736
  762    HA   ILE  63           HA       ILE  63  18.525  -2.082   4.248
  763    HB   ILE  63           HB       ILE  63  16.221  -2.837   4.955
  764   2HG1  ILE  63          2HG1      ILE  63  18.599  -4.438   5.980
  765   1HG2  ILE  63          1HG2      ILE  63  17.167  -5.622   4.166
  766   2HG2  ILE  63          2HG2      ILE  63  15.608  -5.155   4.873
  767   3HG2  ILE  63          3HG2      ILE  63  16.015  -4.664   3.220
  768   1HD1  ILE  63          1HD1      ILE  63  17.199  -1.929   7.029
  769   2HD1  ILE  63          2HD1      ILE  63  18.453  -2.843   7.892
  770   3HD1  ILE  63          3HD1      ILE  63  18.855  -1.998   6.388
  Start of MODEL    4
    1   1H5*    T  64          1H5*        T  64   7.610  -3.897  20.727
    2   2H5*    T  64          2H5*        T  64   7.074  -2.258  20.344
    3    H4*    T  64           H4*        T  64   8.770  -2.911  18.797
    4    H3*    T  64           H3*        T  64   6.048  -2.798  17.502
    5   1H2*    T  64          1H2*        T  64   7.067  -3.305  15.474
    6   2H2*    T  64          2H2*        T  64   8.700  -2.856  16.062
    7    H1*    T  64           H1*        T  64   8.950  -5.075  16.376
    8    H3     T  64           H3         T  64   6.382  -7.853  14.005
    9   1H5M    T  64          1H5M        T  64   3.887  -7.836  18.381
   10   2H5M    T  64          2H5M        T  64   3.464  -6.115  18.224
   11   3H5M    T  64          3H5M        T  64   2.825  -7.293  17.062
   12    H6     T  64           H6         T  64   5.694  -5.233  17.986
   13    H5T    T  64           H5T        T  64   5.303  -3.660  20.822
   14   1H5*    T  65          1H5*        T  65   8.873  -0.871  15.070
   15   2H5*    T  65          2H5*        T  65   8.357   0.651  14.330
   16    H4*    T  65           H4*        T  65   9.060  -1.119  12.650
   17    H3*    T  65           H3*        T  65   6.475   0.281  12.660
   18   1H2*    T  65          1H2*        T  65   5.206  -1.338  11.929
   19   2H2*    T  65          2H2*        T  65   6.225  -1.583  10.494
   20    H1*    T  65           H1*        T  65   7.442  -3.253  11.403
   21    H3     T  65           H3         T  65   4.164  -6.393  11.745
   22   1H5M    T  65          1H5M        T  65   2.711  -4.643  15.848
   23   2H5M    T  65          2H5M        T  65   3.961  -3.443  16.213
   24   3H5M    T  65          3H5M        T  65   2.548  -2.986  15.232
   25    H6     T  65           H6         T  65   5.251  -2.440  14.282
   26   1H5*    T  66          1H5*        T  66   8.108  -1.245   8.758
   27   2H5*    T  66          2H5*        T  66   8.069  -0.080   7.425
   28    H4*    T  66           H4*        T  66   7.275  -2.205   6.550
   29    H3*    T  66           H3*        T  66   5.641   0.110   6.498
   30   1H2*    T  66          1H2*        T  66   3.989  -0.753   7.833
   31   2H2*    T  66          2H2*        T  66   3.438  -1.532   6.338
   32    H1*    T  66           H1*        T  66   4.670  -3.537   6.795
   33    H3     T  66           H3         T  66   1.728  -5.799   9.370
   34   1H5M    T  66          1H5M        T  66   1.150  -2.134  12.233
   35   2H5M    T  66          2H5M        T  66   2.882  -1.928  12.556
   36   3H5M    T  66          3H5M        T  66   2.054  -0.859  11.401
   37    H6     T  66           H6         T  66   3.876  -1.510   9.858
   38   1H5*    T  67          1H5*        T  67   4.923  -3.866   4.563
   39   2H5*    T  67          2H5*        T  67   4.812  -3.672   2.806
   40    H4*    T  67           H4*        T  67   3.493  -5.596   3.437
   41    H3*    T  67           H3*        T  67   2.487  -3.315   2.087
   42   1H2*    T  67          1H2*        T  67   0.898  -2.786   3.734
   43   2H2*    T  67          2H2*        T  67  -0.080  -4.055   2.938
   44    H1*    T  67           H1*        T  67   0.758  -5.739   4.425
   45    H3     T  67           H3         T  67  -2.081  -5.177   7.907
   46   1H5M    T  67          1H5M        T  67  -0.071  -0.423   7.522
   47   2H5M    T  67          2H5M        T  67  -0.087  -1.124   9.155
   48   3H5M    T  67          3H5M        T  67   1.400  -1.143   8.194
   49    H6     T  67           H6         T  67   1.365  -2.397   6.007
   50   1H5*    G  68          1H5*        G  68   0.433  -7.499   1.319
   51   2H5*    G  68          2H5*        G  68  -0.022  -7.545  -0.383
   52    H4*    G  68           H4*        G  68  -1.452  -8.938   1.015
   53    H3*    G  68           H3*        G  68  -2.440  -7.242  -0.956
   54    H1*    G  68           H1*        G  68  -4.077  -7.725   2.467
   55    H8     G  68           H8         G  68  -2.328  -4.240   2.252
   56    H1     G  68           H1         G  68  -5.669  -5.407   7.665
   57   1H2     G  68          1H2         G  68  -6.899  -7.269   7.294
   58   2H2     G  68          2H2         G  68  -6.516  -8.301   5.925
   59   1H2*    G  68          1H2*        G  68  -3.158  -5.558   0.531
   60   2H2*    G  68          2H2*        G  68  -4.656  -6.533   0.493
   61   1H5*    G  69          1H5*        G  69  -5.086 -10.453   1.355
   62   2H5*    G  69          2H5*        G  69  -5.892 -11.378   0.083
   63    H4*    G  69           H4*        G  69  -7.129 -11.530   2.156
   64    H3*    G  69           H3*        G  69  -8.332 -10.929  -0.253
   65    H1*    G  69           H1*        G  69  -9.225  -9.059   2.992
   66    H8     G  69           H8         G  69  -7.171  -6.807   0.552
   67    H1     G  69           H1         G  69  -9.090  -4.033   6.058
   68   1H2     G  69          1H2         G  69 -10.364  -5.464   7.168
   69   2H2     G  69          2H2         G  69 -10.564  -7.099   6.557
   70   1H2*    G  69          1H2*        G  69  -8.493  -8.611   0.079
   71   2H2*    G  69          2H2*        G  69 -10.059  -9.083   0.782
   72   1H5*    C  70          1H5*        C  70 -11.192 -11.190   3.513
   73   2H5*    C  70          2H5*        C  70 -12.674 -12.060   3.099
   74    H4*    C  70           H4*        C  70 -13.182 -10.265   4.625
   75    H3*    C  70           H3*        C  70 -14.485 -10.454   2.089
   76    H1*    C  70           H1*        C  70 -13.695  -7.487   4.199
   77   1H4     C  70          1H4         C  70 -10.502  -2.395   2.405
   78   2H4     C  70          2H4         C  70  -9.851  -3.180   0.954
   79    H5     C  70           H5         C  70 -10.238  -5.470   0.476
   80    H6     C  70           H6         C  70 -11.520  -7.478   1.139
   81   1H2*    C  70          1H2*        C  70 -13.559  -8.451   1.304
   82   2H2*    C  70          2H2*        C  70 -14.964  -7.750   2.157
   83   1H5*    A  71          1H5*        A  71 -16.596  -8.086   5.878
   84   2H5*    A  71          2H5*        A  71 -18.343  -8.197   5.642
   85    H4*    A  71           H4*        A  71 -17.763  -6.050   6.626
   86    H3*    A  71           H3*        A  71 -18.761  -5.959   3.778
   87    H1*    A  71           H1*        A  71 -16.238  -3.475   5.446
   88    H8     A  71           H8         A  71 -16.226  -5.940   2.479
   89   1H6     A  71          1H6         A  71 -12.710  -1.322   0.005
   90   2H6     A  71          2H6         A  71 -13.197  -2.988  -0.352
   91    H2     A  71           H2         A  71 -14.501   0.175   3.523
   92   1H2*    A  71          1H2*        A  71 -18.422  -3.635   3.699
   93   2H2*    A  71          2H2*        A  71 -18.458  -3.484   5.483
   94   1H5*    C  72          1H5*        C  72 -20.363  -3.192   7.050
   95   2H5*    C  72          2H5*        C  72 -22.062  -2.755   6.823
   96    H4*    C  72           H4*        C  72 -20.777  -0.763   7.368
   97    H3*    C  72           H3*        C  72 -21.641  -0.886   4.468
   98    H1*    C  72           H1*        C  72 -18.601   0.939   5.959
   99   1H4     C  72          1H4         C  72 -15.676   0.242   0.367
  100   2H4     C  72          2H4         C  72 -16.931  -0.797  -0.194
  101    H5     C  72           H5         C  72 -18.552  -1.810   1.279
  102    H6     C  72           H6         C  72 -19.724  -1.501   3.422
  103   1H2*    C  72          1H2*        C  72 -20.754   1.254   4.197
  104   2H2*    C  72          2H2*        C  72 -20.756   1.596   5.954
  105   1H5*    G  73          1H5*        G  73 -22.702   2.846   6.019
  106   2H5*    G  73          2H5*        G  73 -24.280   3.465   5.491
  107    H4*    G  73           H4*        G  73 -22.547   5.123   5.093
  108    H3*    G  73           H3*        G  73 -23.629   3.838   2.577
  109    H1*    G  73           H1*        G  73 -19.978   5.029   2.964
  110    H8     G  73           H8         G  73 -22.102   1.874   2.518
  111    H1     G  73           H1         G  73 -17.229   2.621  -1.680
  112   1H2     G  73          1H2         G  73 -16.605   4.797  -1.622
  113   2H2     G  73          2H2         G  73 -17.297   5.852  -0.392
  114   1H2*    G  73          1H2*        G  73 -22.158   5.293   1.344
  115   2H2*    G  73          2H2*        G  73 -21.869   6.322   2.779
  116   1H5*    T  74          1H5*        T  74 -23.169   7.861   1.861
  117   2H5*    T  74          2H5*        T  74 -24.556   8.688   1.124
  118    H4*    T  74           H4*        T  74 -22.459   9.085  -0.178
  119    H3*    T  74           H3*        T  74 -24.550   7.347  -1.512
  120   1H2*    T  74          1H2*        T  74 -23.095   7.264  -3.396
  121   2H2*    T  74          2H2*        T  74 -22.178   8.687  -2.844
  122    H1*    T  74           H1*        T  74 -20.752   7.284  -1.924
  123    H3     T  74           H3         T  74 -20.390   3.145  -3.854
  124   1H5M    T  74          1H5M        T  74 -23.361   1.541  -0.543
  125   2H5M    T  74          2H5M        T  74 -23.942   3.029   0.228
  126   3H5M    T  74          3H5M        T  74 -24.679   2.466  -1.288
  127    H6     T  74           H6         T  74 -23.302   5.232  -0.641
  128   1H5*    T  75          1H5*        T  75 -22.907  10.363  -4.004
  129   2H5*    T  75          2H5*        T  75 -24.095  11.319  -4.885
  130    H4*    T  75           H4*        T  75 -22.305  10.529  -6.360
  131    H3*    T  75           H3*        T  75 -25.108  10.171  -6.789
  132   1H2*    T  75          1H2*        T  75 -25.229   8.007  -7.034
  133   2H2*    T  75          2H2*        T  75 -24.412   8.186  -8.596
  134    H1*    T  75           H1*        T  75 -22.398   7.581  -7.802
  135    H3     T  75           H3         T  75 -22.408   3.197  -6.615
  136   1H5M    T  75          1H5M        T  75 -26.386   5.645  -3.960
  137   2H5M    T  75          2H5M        T  75 -25.934   3.970  -3.599
  138   3H5M    T  75          3H5M        T  75 -25.094   5.311  -2.791
  139    H6     T  75           H6         T  75 -24.666   7.177  -5.136
  140   1H5*    T  76          1H5*        T  76 -22.001   9.704 -10.206
  141   2H5*    T  76          2H5*        T  76 -22.481  10.419 -11.754
  142    H4*    T  76           H4*        T  76 -21.357   8.255 -12.094
  143    H3*    T  76           H3*        T  76 -24.186   8.645 -12.904
  144   1H2*    T  76          1H2*        T  76 -24.836   6.523 -12.599
  145   2H2*    T  76          2H2*        T  76 -23.470   5.925 -13.575
  146    H1*    T  76           H1*        T  76 -22.150   5.459 -11.857
  147    H3     T  76           H3         T  76 -24.089   2.329  -9.164
  148   1H5M    T  76          1H5M        T  76 -27.679   5.510  -8.415
  149   2H5M    T  76          2H5M        T  76 -26.468   6.012  -7.203
  150   3H5M    T  76          3H5M        T  76 -26.764   7.029  -8.617
  151    H6     T  76           H6         T  76 -25.144   6.910 -10.230
  152   1H5*    C  77          1H5*        C  77 -21.451   5.987 -15.539
  153   2H5*    C  77          2H5*        C  77 -21.907   5.998 -17.247
  154    H4*    C  77           H4*        C  77 -21.668   3.710 -16.593
  155    H3*    C  77           H3*        C  77 -24.618   4.376 -16.642
  156    H1*    C  77           H1*        C  77 -22.613   1.700 -14.668
  157   1H4     C  77          1H4         C  77 -27.443   1.725 -10.595
  158   2H4     C  77          2H4         C  77 -27.932   3.373 -11.022
  159    H5     C  77           H5         C  77 -26.766   4.645 -12.736
  160    H6     C  77           H6         C  77 -24.882   4.510 -14.405
  161    H3T    C  77           H3T        C  77 -23.559   4.520 -18.692
  162   1H2*    C  77          1H2*        C  77 -24.981   2.094 -16.209
  163   2H2*    C  77          2H2*        C  77 -23.366   1.621 -16.814
  164   1H5*    G  78          1H5*        G  78 -31.164  -8.073  -9.172
  165   2H5*    G  78          2H5*        G  78 -30.006  -9.050  -8.254
  166    H4*    G  78           H4*        G  78 -29.089  -8.706 -10.430
  167    H3*    G  78           H3*        G  78 -27.751  -7.040  -8.296
  168    H1*    G  78           H1*        G  78 -28.213  -5.920 -12.036
  169    H8     G  78           H8         G  78 -29.676  -4.912  -8.736
  170    H1     G  78           H1         G  78 -26.249  -0.253 -11.598
  171   1H2     G  78          1H2         G  78 -24.913  -1.223 -13.085
  172   2H2     G  78          2H2         G  78 -25.146  -2.922 -13.505
  173   1H2*    G  78          1H2*        G  78 -26.492  -5.922  -9.844
  174   2H2*    G  78          2H2*        G  78 -26.623  -7.222 -11.079
  175    H5T    G  78           H5T        G  78 -30.867  -7.316  -7.000
  176   1H5*    A  79          1H5*        A  79 -24.657  -8.227 -10.900
  177   2H5*    A  79          2H5*        A  79 -23.229  -8.827 -10.048
  178    H4*    A  79           H4*        A  79 -22.706  -6.880 -11.533
  179    H3*    A  79           H3*        A  79 -22.296  -6.663  -8.566
  180    H1*    A  79           H1*        A  79 -23.062  -3.891 -11.276
  181    H8     A  79           H8         A  79 -25.144  -4.970  -8.274
  182   1H6     A  79          1H6         A  79 -25.725   1.247  -7.393
  183   2H6     A  79          2H6         A  79 -26.379  -0.292  -6.814
  184    H2     A  79           H2         A  79 -22.648   0.663 -10.267
  185   1H2*    A  79          1H2*        A  79 -21.813  -4.436  -8.728
  186   2H2*    A  79          2H2*        A  79 -21.150  -4.590 -10.385
  187   1H5*    A  80          1H5*        A  80 -19.307  -5.496 -11.693
  188   2H5*    A  80          2H5*        A  80 -17.590  -5.770 -11.353
  189    H4*    A  80           H4*        A  80 -18.102  -3.454 -12.282
  190    H3*    A  80           H3*        A  80 -16.720  -3.837  -9.629
  191    H1*    A  80           H1*        A  80 -19.061  -0.954 -10.912
  192    H8     A  80           H8         A  80 -19.730  -3.585  -8.191
  193   1H6     A  80          1H6         A  80 -22.964   1.070  -5.421
  194   2H6     A  80          2H6         A  80 -22.597  -0.648  -5.258
  195    H2     A  80           H2         A  80 -20.903   2.717  -8.806
  196   1H2*    A  80          1H2*        A  80 -17.302  -1.962  -8.832
  197   2H2*    A  80          2H2*        A  80 -16.908  -1.051 -10.331
  198   1H5*    A  81          1H5*        A  81 -15.075  -0.342 -11.978
  199   2H5*    A  81          2H5*        A  81 -13.306  -0.267 -11.836
  200    H4*    A  81           H4*        A  81 -14.323   1.887 -11.115
  201    H3*    A  81           H3*        A  81 -12.903   0.149  -9.127
  202    H1*    A  81           H1*        A  81 -15.814   2.740  -8.694
  203    H8     A  81           H8         A  81 -15.708  -1.067  -7.807
  204   1H6     A  81          1H6         A  81 -20.243   0.584  -3.767
  205   2H6     A  81          2H6         A  81 -19.237  -0.790  -4.233
  206    H2     A  81           H2         A  81 -19.257   4.029  -6.101
  207   1H2*    A  81          1H2*        A  81 -13.836   1.085  -7.326
  208   2H2*    A  81          2H2*        A  81 -13.738   2.740  -8.008
  209   1H5*    C  82          1H5*        C  82 -12.132   4.759  -8.876
  210   2H5*    C  82          2H5*        C  82 -10.458   5.028  -8.364
  211    H4*    C  82           H4*        C  82 -11.846   6.456  -7.048
  212    H3*    C  82           H3*        C  82 -10.928   4.040  -5.469
  213    H1*    C  82           H1*        C  82 -14.139   6.059  -4.912
  214   1H4     C  82          1H4         C  82 -17.249   1.269  -2.493
  215   2H4     C  82          2H4         C  82 -16.273   0.212  -3.411
  216    H5     C  82           H5         C  82 -14.576   0.860  -4.984
  217    H6     C  82           H6         C  82 -13.235   2.691  -5.798
  218   1H2*    C  82          1H2*        C  82 -11.975   5.001  -3.589
  219   2H2*    C  82          2H2*        C  82 -12.036   6.619  -4.321
  220   1H5*    G  83          1H5*        G  83  -9.956   8.050  -3.506
  221   2H5*    G  83          2H5*        G  83  -8.452   7.908  -2.598
  222    H4*    G  83           H4*        G  83 -10.171   9.006  -1.371
  223    H3*    G  83           H3*        G  83  -8.559   7.554  -0.096
  224    H1*    G  83           H1*        G  83 -12.287   6.718   0.466
  225    H8     G  83           H8         G  83 -10.433   4.261  -1.885
  226    H1     G  83           H1         G  83 -15.745   1.837   0.836
  227   1H2     G  83          1H2         G  83 -16.313   3.205   2.518
  228   2H2     G  83          2H2         G  83 -15.636   4.827   2.605
  229   1H2*    G  83          1H2*        G  83  -9.633   5.464  -0.264
  230   2H2*    G  83          2H2*        G  83 -10.246   5.970   1.329
  231   1H5*    T  84          1H5*        T  84 -12.054   7.845   3.141
  232   2H5*    T  84          2H5*        T  84 -11.265   8.538   4.576
  233    H4*    T  84           H4*        T  84 -12.381   6.569   5.329
  234    H3*    T  84           H3*        T  84  -9.536   6.722   5.532
  235   1H2*    T  84          1H2*        T  84  -9.176   5.070   3.899
  236   2H2*    T  84          2H2*        T  84  -9.320   4.003   5.336
  237    H1*    T  84           H1*        T  84 -11.690   3.772   5.024
  238    H3     T  84           H3         T  84 -12.882   0.627   2.028
  239   1H5M    T  84          1H5M        T  84  -9.200   1.466  -0.640
  240   2H5M    T  84          2H5M        T  84  -8.674   3.053  -0.079
  241   3H5M    T  84          3H5M        T  84  -8.058   1.575   0.713
  242    H6     T  84           H6         T  84  -9.267   3.805   2.172
  243   1H5*    G  85          1H5*        G  85 -12.262   5.173   9.221
  244   2H5*    G  85          2H5*        G  85 -11.238   5.256  10.669
  245    H4*    G  85           H4*        G  85 -12.793   3.426  10.986
  246    H3*    G  85           H3*        G  85  -9.941   2.806  10.575
  247    H1*    G  85           H1*        G  85 -12.998   0.622   9.231
  248    H8     G  85           H8         G  85 -10.425   2.755   7.305
  249    H1     G  85           H1         G  85 -11.930  -2.840   4.481
  250   1H2     G  85          1H2         G  85 -13.285  -3.981   5.864
  251   2H2     G  85          2H2         G  85 -13.778  -3.281   7.409
  252   1H2*    G  85          1H2*        G  85 -10.118   0.848   9.577
  253   2H2*    G  85          2H2*        G  85 -11.362   0.261  10.720
  254   1H5*    C  86          1H5*        C  86 -12.149  -0.103  13.210
  255   2H5*    C  86          2H5*        C  86 -11.223  -0.524  14.659
  256    H4*    C  86           H4*        C  86 -12.298  -2.498  13.666
  257    H3*    C  86           H3*        C  86  -9.417  -2.300  14.077
  258    H1*    C  86           H1*        C  86 -11.344  -4.198  11.161
  259   1H4     C  86          1H4         C  86  -8.547  -2.278   5.739
  260   2H4     C  86          2H4         C  86  -7.843  -0.946   6.599
  261    H5     C  86           H5         C  86  -8.120  -0.456   8.851
  262    H6     C  86           H6         C  86  -9.113  -1.216  10.965
  263   1H2*    C  86          1H2*        C  86  -8.706  -3.280  12.192
  264   2H2*    C  86          2H2*        C  86  -9.659  -4.731  12.557
  265   1H5*    C  87          1H5*        C  87 -11.321  -6.608  14.360
  266   2H5*    C  87          2H5*        C  87 -10.441  -7.640  15.498
  267    H4*    C  87           H4*        C  87 -10.846  -8.819  13.390
  268    H3*    C  87           H3*        C  87  -7.955  -8.085  13.911
  269    H1*    C  87           H1*        C  87  -9.759  -8.496  10.479
  270   1H4     C  87          1H4         C  87  -6.635  -3.737   7.929
  271   2H4     C  87          2H4         C  87  -6.083  -3.192   9.500
  272    H5     C  87           H5         C  87  -6.340  -4.365  11.429
  273    H6     C  87           H6         C  87  -7.527  -6.263  12.541
  274   1H2*    C  87          1H2*        C  87  -7.383  -9.122  11.846
  275   2H2*    C  87          2H2*        C  87  -8.900 -10.063  11.814
  276   1H5*    A  88          1H5*        A  88  -8.254 -12.022  12.522
  277   2H5*    A  88          2H5*        A  88  -7.302 -13.231  13.378
  278    H4*    A  88           H4*        A  88  -6.992 -13.191  10.897
  279    H3*    A  88           H3*        A  88  -5.036 -13.664  12.797
  280    H1*    A  88           H1*        A  88  -4.424 -11.300   9.758
  281    H8     A  88           H8         A  88  -5.116  -9.432  13.124
  282   1H6     A  88          1H6         A  88  -2.895  -4.465  10.011
  283   2H6     A  88          2H6         A  88  -3.583  -4.967  11.556
  284    H2     A  88           H2         A  88  -2.709  -7.829   7.338
  285   1H2*    A  88          1H2*        A  88  -4.071 -11.544  12.762
  286   2H2*    A  88          2H2*        A  88  -3.106 -12.268  11.452
  287   1H5*    A  89          1H5*        A  89  -4.114 -13.859   8.224
  288   2H5*    A  89          2H5*        A  89  -3.371 -15.426   7.887
  289    H4*    A  89           H4*        A  89  -2.680 -13.772   6.252
  290    H3*    A  89           H3*        A  89  -0.903 -15.438   7.567
  291    H1*    A  89           H1*        A  89  -0.176 -11.730   6.941
  292    H8     A  89           H8         A  89  -0.955 -12.462  10.697
  293   1H6     A  89          1H6         A  89   0.196  -6.315  11.320
  294   2H6     A  89          2H6         A  89  -0.249  -7.749  12.248
  295    H2     A  89           H2         A  89   0.619  -7.318   7.156
  296   1H2*    A  89          1H2*        A  89  -0.100 -13.862   9.096
  297   2H2*    A  89          2H2*        A  89   1.061 -13.547   7.777
  298   1H5*    A  90          1H5*        A  90   1.288 -12.588   4.502
  299   2H5*    A  90          2H5*        A  90   2.418 -13.551   3.538
  300    H4*    A  90           H4*        A  90   3.466 -11.464   4.097
  301    H3*    A  90           H3*        A  90   4.616 -13.974   4.984
  302    H1*    A  90           H1*        A  90   4.781 -10.435   6.467
  303    H8     A  90           H8         A  90   2.983 -13.014   8.789
  304   1H6     A  90          1H6         A  90   2.773  -8.121  12.730
  305   2H6     A  90          2H6         A  90   2.229  -9.792  12.555
  306    H2     A  90           H2         A  90   5.117  -6.951   9.334
  307   1H2*    A  90          1H2*        A  90   4.709 -13.391   7.197
  308   2H2*    A  90          2H2*        A  90   6.115 -12.396   6.724
  309   1H5*    A  91          1H5*        A  91   7.495 -10.201   3.954
  310   2H5*    A  91          2H5*        A  91   9.091 -10.810   3.497
  311    H4*    A  91           H4*        A  91   9.362  -8.874   4.936
  312    H3*    A  91           H3*        A  91  10.001 -11.504   6.318
  313    H1*    A  91           H1*        A  91   8.789  -8.095   7.734
  314    H8     A  91           H8         A  91   7.936 -11.827   8.070
  315   1H6     A  91          1H6         A  91   5.542  -9.936  13.589
  316   2H6     A  91          2H6         A  91   5.736 -11.378  12.593
  317    H2     A  91           H2         A  91   7.478  -6.569  11.760
  318    H3T    A  91           H3T        A  91  12.156 -10.725   5.941
  319   1H2*    A  91          1H2*        A  91  10.518 -10.340   8.264
  320   2H2*    A  91          2H2*        A  91  10.903  -8.829   7.382
  321   1H    HIS   1          1H        HIS   1 -13.150   9.550  -8.205
  322   2H    HIS   1          2H        HIS   1 -11.898   9.062  -7.255
  323   3H    HIS   1          3H        HIS   1 -12.022  10.634  -7.697
  324    HA   HIS   1           HA       HIS   1 -14.004  10.933  -6.440
  325   2HB   HIS   1          2HB       HIS   1 -14.794   9.145  -4.928
  326    HD1  HIS   1           HD1      HIS   1 -14.515   6.406  -7.341
  327    HD2  HIS   1           HD2      HIS   1 -16.541  10.110  -7.085
  328    HE1  HIS   1           HE1      HIS   1 -16.423   6.291  -9.009
  329    H    MET   2           H        MET   2 -13.772  11.927  -4.540
  330    HA   MET   2           HA       MET   2 -12.647  13.254  -3.147
  331   2HB   MET   2          2HB       MET   2 -10.843  10.875  -2.592
  332   2HG   MET   2          2HG       MET   2  -9.698  12.922  -1.946
  333   1HE   MET   2          1HE       MET   2  -9.214  15.126  -0.755
  334   2HE   MET   2          2HE       MET   2 -10.250  15.821   0.509
  335   3HE   MET   2          3HE       MET   2  -9.495  14.226   0.755
  336    H    LEU   3           H        LEU   3 -10.123  11.390  -4.865
  337    HA   LEU   3           HA       LEU   3  -8.872  13.876  -5.905
  338   2HB   LEU   3          2HB       LEU   3  -6.945  12.208  -6.260
  339    HG   LEU   3           HG       LEU   3  -7.807  12.408  -3.356
  340   1HD1  LEU   3          1HD1      LEU   3  -5.582  12.018  -2.825
  341   2HD1  LEU   3          2HD1      LEU   3  -5.826  10.951  -4.224
  342   3HD1  LEU   3          3HD1      LEU   3  -4.988  12.473  -4.468
  343   1HD2  LEU   3          1HD2      LEU   3  -6.404  14.386  -5.188
  344   2HD2  LEU   3          2HD2      LEU   3  -7.865  14.671  -4.213
  345   3HD2  LEU   3          3HD2      LEU   3  -6.325  14.478  -3.408
  346    H    THR   4           H        THR   4  -7.607  13.186  -7.925
  347    HA   THR   4           HA       THR   4  -9.589  12.762 -10.067
  348    HB   THR   4           HB       THR   4  -7.773  13.188 -11.634
  349    HG1  THR   4           HG1      THR   4  -5.734  13.760 -10.688
  350   1HG2  THR   4          1HG2      THR   4  -7.717  15.171  -9.342
  351   2HG2  THR   4          2HG2      THR   4  -7.167  15.458 -11.007
  352   3HG2  THR   4          3HG2      THR   4  -8.878  15.136 -10.678
  353    H    GLN   5           H        GLN   5  -8.303  11.422 -12.030
  354    HA   GLN   5           HA       GLN   5  -8.691   8.692 -11.625
  355   2HB   GLN   5          2HB       GLN   5  -8.529   9.843 -13.784
  356   2HG   GLN   5          2HG       GLN   5  -5.505   9.773 -13.421
  357   1HE2  GLN   5          1HE2      GLN   5  -7.247  12.101 -15.446
  358   2HE2  GLN   5          2HE2      GLN   5  -6.739  11.365 -16.963
  359    HN2  GLY   6           HN2      GLY   6  -5.817  10.554 -10.693
  360   1HA   GLY   6          1HA       GLY   6  -4.963   8.397  -8.999
  361   2HA   GLY   6          2HA       GLY   6  -3.942   8.503 -10.436
  362    H    GLU   7           H        GLU   7  -5.335  11.262  -8.391
  363    HA   GLU   7           HA       GLU   7  -2.888  12.670  -8.535
  364   2HB   GLU   7          2HB       GLU   7  -4.510  13.532  -6.322
  365   2HG   GLU   7          2HG       GLU   7  -4.353  14.592  -9.165
  366    H    LEU   8           H        LEU   8  -3.721  10.077  -6.559
  367    HA   LEU   8           HA       LEU   8  -1.302  10.595  -4.847
  368   2HB   LEU   8          2HB       LEU   8  -3.476  10.385  -3.677
  369    HG   LEU   8           HG       LEU   8  -4.009   8.154  -5.215
  370   1HD1  LEU   8          1HD1      LEU   8  -3.093   7.185  -2.456
  371   2HD1  LEU   8          2HD1      LEU   8  -3.850   6.186  -3.696
  372   3HD1  LEU   8          3HD1      LEU   8  -2.227   6.845  -3.973
  373   1HD2  LEU   8          1HD2      LEU   8  -5.134   9.222  -2.696
  374   2HD2  LEU   8          2HD2      LEU   8  -5.906   8.836  -4.251
  375   3HD2  LEU   8          3HD2      LEU   8  -5.576   7.550  -3.089
  376    H    MET   9           H        MET   9  -2.388   8.763  -7.477
  377    HA   MET   9           HA       MET   9  -0.851   6.298  -6.985
  378   2HB   MET   9          2HB       MET   9  -2.845   7.225  -8.970
  379   2HG   MET   9          2HG       MET   9  -0.483   5.630  -9.860
  380   1HE   MET   9          1HE       MET   9  -4.441   5.818 -10.311
  381   2HE   MET   9          2HE       MET   9  -3.777   6.461 -11.835
  382   3HE   MET   9          3HE       MET   9  -4.624   4.898 -11.813
  383    H    LYS  10           H        LYS  10  -0.689   8.880  -9.415
  384    HA   LYS  10           HA       LYS  10   1.947   8.023 -10.326
  385   2HB   LYS  10          2HB       LYS  10   0.217   8.836 -11.826
  386   2HG   LYS  10          2HG       LYS  10   0.672  11.704 -11.088
  387   2HD   LYS  10          2HD       LYS  10  -1.930  10.337 -11.884
  388   2HE   LYS  10          2HE       LYS  10  -0.865  13.185 -12.035
  389   1HZ   LYS  10          1HZ       LYS  10  -3.083  13.699 -12.858
  390   2HZ   LYS  10          2HZ       LYS  10  -2.342  12.684 -13.893
  391   3HZ   LYS  10          3HZ       LYS  10  -3.498  12.115 -12.886
  392    H    LEU  11           H        LEU  11   1.702   8.954  -7.548
  393    HA   LEU  11           HA       LEU  11   3.749  11.110  -7.314
  394   2HB   LEU  11          2HB       LEU  11   2.497  11.771  -5.215
  395    HG   LEU  11           HG       LEU  11   0.741  13.095  -6.101
  396   1HD1  LEU  11          1HD1      LEU  11   2.975  12.961  -8.155
  397   2HD1  LEU  11          2HD1      LEU  11   1.921  14.353  -7.828
  398   3HD1  LEU  11          3HD1      LEU  11   3.074  13.802  -6.590
  399   1HD2  LEU  11          1HD2      LEU  11  -0.277  12.870  -8.218
  400   2HD2  LEU  11          2HD2      LEU  11   1.057  11.899  -8.836
  401   3HD2  LEU  11          3HD2      LEU  11  -0.088  11.176  -7.696
  402    H    ILE  12           H        ILE  12   2.156   8.224  -5.743
  403    HA   ILE  12           HA       ILE  12   3.983   8.224  -3.525
  404    HB   ILE  12           HB       ILE  12   3.387   5.805  -3.309
  405   2HG1  ILE  12          2HG1      ILE  12   2.538   5.877  -5.973
  406   1HG2  ILE  12          1HG2      ILE  12   2.205   7.363  -1.983
  407   2HG2  ILE  12          2HG2      ILE  12   1.250   7.947  -3.350
  408   3HG2  ILE  12          3HG2      ILE  12   0.971   6.315  -2.732
  409   1HD1  ILE  12          1HD1      ILE  12   1.446   3.662  -5.411
  410   2HD1  ILE  12          2HD1      ILE  12   3.064   3.810  -4.704
  411   3HD1  ILE  12          3HD1      ILE  12   1.613   4.038  -3.696
  412    H    LYS  13           H        LYS  13   4.238   6.905  -6.759
  413    HA   LYS  13           HA       LYS  13   6.806   5.510  -6.114
  414   2HB   LYS  13          2HB       LYS  13   5.356   4.339  -7.537
  415   2HG   LYS  13          2HG       LYS  13   4.085   6.265  -8.581
  416   2HD   LYS  13          2HD       LYS  13   5.859   7.587  -9.660
  417   2HE   LYS  13          2HE       LYS  13   6.357   5.072 -11.299
  418   1HZ   LYS  13          1HZ       LYS  13   6.424   7.044 -12.689
  419   2HZ   LYS  13          2HZ       LYS  13   7.958   6.537 -12.452
  420   3HZ   LYS  13          3HZ       LYS  13   7.392   7.844 -11.643
  421    H    GLU  14           H        GLU  14   5.957   8.583  -6.949
  422    HA   GLU  14           HA       GLU  14   8.302   9.196  -8.682
  423   2HB   GLU  14          2HB       GLU  14   5.935  10.995  -8.042
  424   2HG   GLU  14          2HG       GLU  14   7.749  12.140  -9.240
  425    H    ILE  15           H        ILE  15   7.087   9.722  -5.447
  426    HA   ILE  15           HA       ILE  15   9.272  11.661  -4.887
  427    HB   ILE  15           HB       ILE  15   8.257  12.105  -2.803
  428   2HG1  ILE  15          2HG1      ILE  15   6.596   9.688  -3.329
  429   1HG2  ILE  15          1HG2      ILE  15   7.491  13.369  -4.775
  430   2HG2  ILE  15          2HG2      ILE  15   6.113  12.256  -4.952
  431   3HG2  ILE  15          3HG2      ILE  15   6.260  13.272  -3.507
  432   1HD1  ILE  15          1HD1      ILE  15   8.205   9.935  -1.420
  433   2HD1  ILE  15          2HD1      ILE  15   7.214  11.267  -0.788
  434   3HD1  ILE  15          3HD1      ILE  15   6.534   9.628  -0.885
  435    H    VAL  16           H        VAL  16   7.891   8.437  -3.797
  436    HA   VAL  16           HA       VAL  16   9.984   8.126  -1.939
  437    HB   VAL  16           HB       VAL  16   8.366   5.917  -3.299
  438   1HG1  VAL  16          1HG1      VAL  16  10.192   5.983  -0.882
  439   2HG1  VAL  16          2HG1      VAL  16   8.981   4.688  -1.141
  440   3HG1  VAL  16          3HG1      VAL  16  10.293   4.927  -2.303
  441   1HG2  VAL  16          1HG2      VAL  16   6.995   5.948  -1.287
  442   2HG2  VAL  16          2HG2      VAL  16   7.958   7.263  -0.582
  443   3HG2  VAL  16          3HG2      VAL  16   6.958   7.558  -2.001
  444    H    GLU  17           H        GLU  17   9.895   7.302  -5.414
  445    HA   GLU  17           HA       GLU  17  12.483   5.827  -5.119
  446   2HB   GLU  17          2HB       GLU  17  12.404   5.593  -7.604
  447   2HG   GLU  17          2HG       GLU  17  10.306   4.224  -7.768
  448    H    ASN  18           H        ASN  18  11.759   9.033  -5.053
  449    HA   ASN  18           HA       ASN  18  14.151   9.897  -6.582
  450   2HB   ASN  18          2HB       ASN  18  11.552  11.240  -5.747
  451   1HD2  ASN  18          1HD2      ASN  18  12.241  13.201  -4.979
  452   2HD2  ASN  18          2HD2      ASN  18  13.178  14.315  -5.966
  453    H    GLU  19           H        GLU  19  12.892   9.558  -3.383
  454    HA   GLU  19           HA       GLU  19  14.398  11.867  -2.279
  455   2HB   GLU  19          2HB       GLU  19  13.218  11.125  -0.129
  456   2HG   GLU  19          2HG       GLU  19  10.906  11.755  -0.888
  457    H    ASP  20           H        ASP  20  14.037   8.854  -0.519
  458    HA   ASP  20           HA       ASP  20  16.954   8.404  -0.548
  459   2HB   ASP  20          2HB       ASP  20  16.860   8.154   1.989
  460    H    LYS  21           H        LYS  21  16.323   6.662  -1.839
  461    HA   LYS  21           HA       LYS  21  14.741   4.416  -0.966
  462   2HB   LYS  21          2HB       LYS  21  16.085   3.146  -2.671
  463   2HG   LYS  21          2HG       LYS  21  15.037   5.856  -3.614
  464   2HD   LYS  21          2HD       LYS  21  14.409   4.569  -5.667
  465   2HE   LYS  21          2HE       LYS  21  16.634   4.278  -6.696
  466   1HZ   LYS  21          1HZ       LYS  21  16.589   6.726  -5.030
  467   2HZ   LYS  21          2HZ       LYS  21  15.704   6.552  -6.391
  468   3HZ   LYS  21          3HZ       LYS  21  17.341   6.532  -6.466
  469    H    ARG  22           H        ARG  22  17.884   5.379  -0.048
  470    HA   ARG  22           HA       ARG  22  18.761   3.016   1.430
  471   2HB   ARG  22          2HB       ARG  22  20.399   4.653   0.737
  472   2HG   ARG  22          2HG       ARG  22  18.704   6.664   2.275
  473   2HD   ARG  22          2HD       ARG  22  21.600   6.957   1.467
  474    HE   ARG  22           HE       ARG  22  19.580   8.968   1.723
  475   1HH1  ARG  22          1HH1      ARG  22  22.825   8.503   2.962
  476   2HH1  ARG  22          2HH1      ARG  22  23.055  10.227   3.145
  477   1HH2  ARG  22          1HH2      ARG  22  19.887  10.966   1.954
  478   2HH2  ARG  22          2HH2      ARG  22  21.401  11.648   2.564
  479    H    LYS  23           H        LYS  23  16.575   5.564   2.179
  480    HA   LYS  23           HA       LYS  23  15.997   4.528   4.930
  481   2HB   LYS  23          2HB       LYS  23  15.978   6.854   5.808
  482   2HG   LYS  23          2HG       LYS  23  18.719   6.088   4.705
  483   2HD   LYS  23          2HD       LYS  23  19.536   7.193   6.775
  484   2HE   LYS  23          2HE       LYS  23  17.922   9.037   4.959
  485   1HZ   LYS  23          1HZ       LYS  23  19.625  10.643   5.590
  486   2HZ   LYS  23          2HZ       LYS  23  20.330   9.581   6.611
  487   3HZ   LYS  23          3HZ       LYS  23  18.828  10.145   6.923
  488    HA   PRO  24           HA       PRO  24  12.564   5.455   1.949
  489   2HB   PRO  24          2HB       PRO  24  12.648   3.209   1.288
  490   2HG   PRO  24          2HG       PRO  24  12.966   1.459   2.923
  491   2HD   PRO  24          2HD       PRO  24  14.818   2.869   2.904
  492    H    TYR  25           H        TYR  25  10.258   5.684   2.087
  493    HA   TYR  25           HA       TYR  25   9.092   6.312   4.726
  494   2HB   TYR  25          2HB       TYR  25   7.169   7.077   3.455
  495    HD1  TYR  25           HD1      TYR  25   9.687   7.484   0.779
  496    HD2  TYR  25           HD2      TYR  25   8.020   9.118   4.386
  497    HE1  TYR  25           HE1      TYR  25  10.789   9.650   0.282
  498    HE2  TYR  25           HE2      TYR  25   9.181  11.288   3.943
  499    HH   TYR  25           HH       TYR  25  10.530  12.436   2.538
  500    H    SER  26           H        SER  26   6.526   5.502   4.461
  501    HA   SER  26           HA       SER  26   6.226   2.748   3.578
  502   2HB   SER  26          2HB       SER  26   5.326   1.989   5.831
  503    HG   SER  26           HG       SER  26   7.975   2.457   5.112
  504    H    ASP  27           H        ASP  27   3.805   2.042   4.203
  505    HA   ASP  27           HA       ASP  27   2.225   3.904   2.812
  506   2HB   ASP  27          2HB       ASP  27   1.665   1.684   2.661
  507    H    GLN  28           H        GLN  28   2.576   3.757   6.373
  508    HA   GLN  28           HA       GLN  28   0.538   5.759   6.843
  509   2HB   GLN  28          2HB       GLN  28   2.964   4.818   8.416
  510   2HG   GLN  28          2HG       GLN  28   2.537   7.102   9.113
  511   1HE2  GLN  28          1HE2      GLN  28   0.794   8.264   7.883
  512   2HE2  GLN  28          2HE2      GLN  28  -0.818   8.329   8.578
  513    H    GLU  29           H        GLU  29   4.158   5.971   6.341
  514    HA   GLU  29           HA       GLU  29   4.090   8.810   6.758
  515   2HB   GLU  29          2HB       GLU  29   6.462   8.555   5.765
  516   2HG   GLU  29          2HG       GLU  29   7.273   7.331   7.842
  517    H    ILE  30           H        ILE  30   4.144   6.915   3.696
  518    HA   ILE  30           HA       ILE  30   4.117   9.306   2.083
  519    HB   ILE  30           HB       ILE  30   3.415   8.021   0.235
  520   2HG1  ILE  30          2HG1      ILE  30   1.732   6.590   1.039
  521   1HG2  ILE  30          1HG2      ILE  30   5.784   7.964   1.092
  522   2HG2  ILE  30          2HG2      ILE  30   5.407   6.387   1.836
  523   3HG2  ILE  30          3HG2      ILE  30   5.320   6.593   0.079
  524   1HD1  ILE  30          1HD1      ILE  30   2.281   4.358   0.279
  525   2HD1  ILE  30          2HD1      ILE  30   3.107   5.509  -0.780
  526   3HD1  ILE  30          3HD1      ILE  30   4.007   4.643   0.486
  527    H    ALA  31           H        ALA  31   1.431   7.569   3.702
  528    HA   ALA  31           HA       ALA  31  -0.651   9.198   2.468
  529   1HB   ALA  31          1HB       ALA  31  -1.954   8.453   4.521
  530   2HB   ALA  31          2HB       ALA  31  -1.267   7.140   3.558
  531   3HB   ALA  31          3HB       ALA  31  -0.495   7.622   5.077
  532    H    ASN  32           H        ASN  32   1.489   9.637   5.230
  533    HA   ASN  32           HA       ASN  32   0.161  11.879   6.421
  534   2HB   ASN  32          2HB       ASN  32   3.028  10.877   6.636
  535   1HD2  ASN  32          1HD2      ASN  32   4.103  11.277   8.705
  536   2HD2  ASN  32          2HD2      ASN  32   3.706  12.787   9.537
  537    H    ILE  33           H        ILE  33   3.104  11.795   4.373
  538    HA   ILE  33           HA       ILE  33   3.341  14.681   4.279
  539    HB   ILE  33           HB       ILE  33   4.311  12.841   2.100
  540   2HG1  ILE  33          2HG1      ILE  33   5.080  12.612   4.877
  541   1HG2  ILE  33          1HG2      ILE  33   5.390  15.483   3.133
  542   2HG2  ILE  33          2HG2      ILE  33   6.137  14.473   1.866
  543   3HG2  ILE  33          3HG2      ILE  33   4.546  15.189   1.600
  544   1HD1  ILE  33          1HD1      ILE  33   5.078  10.995   2.878
  545   2HD1  ILE  33          2HD1      ILE  33   6.677  11.654   2.494
  546   3HD1  ILE  33          3HD1      ILE  33   6.383  10.851   4.075
  547    H    LEU  34           H        LEU  34   1.528  12.393   2.298
  548    HA   LEU  34           HA       LEU  34   0.825  14.168   0.136
  549   2HB   LEU  34          2HB       LEU  34  -1.201  12.389   0.189
  550    HG   LEU  34           HG       LEU  34   0.159  12.229  -1.690
  551   1HD1  LEU  34          1HD1      LEU  34   2.530  11.549   0.083
  552   2HD1  LEU  34          2HD1      LEU  34   2.518  11.403  -1.689
  553   3HD1  LEU  34          3HD1      LEU  34   2.305  12.983  -0.930
  554   1HD2  LEU  34          1HD2      LEU  34   0.665   9.644  -0.170
  555   2HD2  LEU  34          2HD2      LEU  34  -0.832  10.073  -1.009
  556   3HD2  LEU  34          3HD2      LEU  34   0.664   9.868  -1.929
  557    H    LYS  35           H        LYS  35  -0.250  13.974   3.389
  558    HA   LYS  35           HA       LYS  35  -2.740  15.518   2.860
  559   2HB   LYS  35          2HB       LYS  35  -2.107  13.680   4.759
  560   2HG   LYS  35          2HG       LYS  35  -2.231  16.293   6.314
  561   2HD   LYS  35          2HD       LYS  35  -1.230  13.531   7.113
  562   2HE   LYS  35          2HE       LYS  35  -1.632  14.387   9.422
  563   1HZ   LYS  35          1HZ       LYS  35   0.593  14.648   8.496
  564   2HZ   LYS  35          2HZ       LYS  35   0.253  15.892   9.503
  565   3HZ   LYS  35          3HZ       LYS  35   0.215  16.122   7.884
  566    H    GLU  36           H        GLU  36   0.541  16.293   3.196
  567    HA   GLU  36           HA       GLU  36   0.060  18.944   4.448
  568   2HB   GLU  36          2HB       GLU  36   2.474  19.206   4.361
  569   2HG   GLU  36          2HG       GLU  36   1.891  16.400   5.362
  570    H    LYS  37           H        LYS  37   0.083  17.578   1.287
  571    HA   LYS  37           HA       LYS  37   0.538  20.300   0.097
  572   2HB   LYS  37          2HB       LYS  37   2.498  18.966  -0.182
  573   2HG   LYS  37          2HG       LYS  37   0.747  17.028  -1.717
  574   2HD   LYS  37          2HD       LYS  37   3.231  17.478  -2.446
  575   2HE   LYS  37          2HE       LYS  37   3.719  15.629  -0.097
  576   1HZ   LYS  37          1HZ       LYS  37   5.418  15.735  -1.838
  577   2HZ   LYS  37          2HZ       LYS  37   5.567  17.352  -1.660
  578   3HZ   LYS  37          3HZ       LYS  37   6.014  16.356  -0.448
  579    HN2  GLY  38           HN2      GLY  38  -1.595  17.432  -0.103
  580   1HA   GLY  38          1HA       GLY  38  -3.671  19.142  -0.138
  581   2HA   GLY  38          2HA       GLY  38  -3.346  19.063  -1.866
  582    H    PHE  39           H        PHE  39  -2.612  15.975  -0.581
  583    HA   PHE  39           HA       PHE  39  -4.902  15.067  -2.074
  584   2HB   PHE  39          2HB       PHE  39  -3.704  12.951  -2.128
  585    HD1  PHE  39           HD1      PHE  39  -3.822  14.398  -4.327
  586    HD2  PHE  39           HD2      PHE  39  -0.527  14.510  -1.508
  587    HE1  PHE  39           HE1      PHE  39  -2.390  15.425  -6.031
  588    HE2  PHE  39           HE2      PHE  39   0.907  15.471  -3.270
  589    HZ   PHE  39           HZ       PHE  39  -0.005  15.970  -5.527
  590    H    LYS  40           H        LYS  40  -3.851  15.150   1.154
  591    HA   LYS  40           HA       LYS  40  -4.175  13.808   3.038
  592   2HB   LYS  40          2HB       LYS  40  -5.250  15.880   3.439
  593   2HG   LYS  40          2HG       LYS  40  -7.359  14.841   1.617
  594   2HD   LYS  40          2HD       LYS  40  -9.019  16.470   2.619
  595   2HE   LYS  40          2HE       LYS  40  -8.235  14.067   4.326
  596   1HZ   LYS  40          1HZ       LYS  40 -10.571  14.105   4.958
  597   2HZ   LYS  40          2HZ       LYS  40  -9.874  15.505   5.419
  598   3HZ   LYS  40          3HZ       LYS  40 -10.847  15.466   4.102
  599    H    VAL  41           H        VAL  41  -4.165  12.032   1.232
  600    HA   VAL  41           HA       VAL  41  -6.521  10.242   1.499
  601    HB   VAL  41           HB       VAL  41  -5.675  10.108  -0.674
  602   1HG1  VAL  41          1HG1      VAL  41  -2.927   9.653   0.578
  603   2HG1  VAL  41          2HG1      VAL  41  -3.300   9.427  -1.132
  604   3HG1  VAL  41          3HG1      VAL  41  -3.448  11.032  -0.421
  605   1HG2  VAL  41          1HG2      VAL  41  -4.521   7.677   0.795
  606   2HG2  VAL  41          2HG2      VAL  41  -6.222   7.872   0.328
  607   3HG2  VAL  41          3HG2      VAL  41  -4.950   7.743  -0.893
  608    H    ALA  42           H        ALA  42  -6.476   8.372   2.722
  609    HA   ALA  42           HA       ALA  42  -4.744   8.238   5.061
  610   1HB   ALA  42          1HB       ALA  42  -6.418   6.582   5.803
  611   2HB   ALA  42          2HB       ALA  42  -7.212   8.059   5.229
  612   3HB   ALA  42          3HB       ALA  42  -7.176   6.612   4.197
  613    H    ARG  43           H        ARG  43  -3.982   6.154   5.777
  614    HA   ARG  43           HA       ARG  43  -2.080   4.999   4.046
  615   2HB   ARG  43          2HB       ARG  43  -3.210   3.988   6.698
  616   2HG   ARG  43          2HG       ARG  43  -0.707   3.102   6.767
  617   2HD   ARG  43          2HD       ARG  43  -1.256   0.897   5.744
  618    HE   ARG  43           HE       ARG  43  -2.537   1.909   8.062
  619   1HH1  ARG  43          1HH1      ARG  43  -2.918  -0.715   5.772
  620   2HH1  ARG  43          2HH1      ARG  43  -3.654  -1.775   6.946
  621   1HH2  ARG  43          1HH2      ARG  43  -3.330   0.443   9.556
  622   2HH2  ARG  43          2HH2      ARG  43  -3.716  -1.177   9.036
  623    H    ARG  44           H        ARG  44  -5.355   3.993   4.539
  624    HA   ARG  44           HA       ARG  44  -4.976   1.159   3.887
  625   2HB   ARG  44          2HB       ARG  44  -7.570   1.459   3.607
  626   2HG   ARG  44          2HG       ARG  44  -6.325   0.452   5.623
  627   2HD   ARG  44          2HD       ARG  44  -6.878   3.215   6.802
  628    HE   ARG  44           HE       ARG  44  -5.794   0.753   8.157
  629   1HH1  ARG  44          1HH1      ARG  44  -7.675   3.760   8.547
  630   2HH1  ARG  44          2HH1      ARG  44  -7.899   3.380  10.235
  631   1HH2  ARG  44          1HH2      ARG  44  -6.235   0.447  10.295
  632   2HH2  ARG  44          2HH2      ARG  44  -7.282   1.577  11.125
  633    H    THR  45           H        THR  45  -5.713   4.074   2.101
  634    HA   THR  45           HA       THR  45  -6.461   2.862  -0.384
  635    HB   THR  45           HB       THR  45  -5.573   5.692   0.273
  636    HG1  THR  45           HG1      THR  45  -7.453   6.203   1.135
  637   1HG2  THR  45          1HG2      THR  45  -7.703   4.645  -1.595
  638   2HG2  THR  45          2HG2      THR  45  -7.192   6.343  -1.409
  639   3HG2  THR  45          3HG2      THR  45  -6.072   5.157  -2.083
  640    H    VAL  46           H        VAL  46  -3.806   4.798   0.942
  641    HA   VAL  46           HA       VAL  46  -2.368   4.923  -1.372
  642    HB   VAL  46           HB       VAL  46  -2.262   6.197   0.981
  643   1HG1  VAL  46          1HG1      VAL  46   0.219   4.450   1.144
  644   2HG1  VAL  46          2HG1      VAL  46  -0.185   5.852   2.132
  645   3HG1  VAL  46          3HG1      VAL  46  -1.175   4.388   2.225
  646   1HG2  VAL  46          1HG2      VAL  46  -0.306   7.365   0.234
  647   2HG2  VAL  46          2HG2      VAL  46   0.198   5.981  -0.761
  648   3HG2  VAL  46          3HG2      VAL  46  -1.240   6.932  -1.198
  649    H    ALA  47           H        ALA  47  -2.442   2.484   1.089
  650    HA   ALA  47           HA       ALA  47  -0.079   1.035   0.534
  651   1HB   ALA  47          1HB       ALA  47  -1.209   0.895   2.700
  652   2HB   ALA  47          2HB       ALA  47  -2.701   0.317   1.929
  653   3HB   ALA  47          3HB       ALA  47  -1.257  -0.708   1.953
  654    H    LYS  48           H        LYS  48  -3.425   0.880  -0.675
  655    HA   LYS  48           HA       LYS  48  -2.965  -1.645  -2.108
  656   2HB   LYS  48          2HB       LYS  48  -5.396  -0.830  -2.981
  657   2HG   LYS  48          2HG       LYS  48  -4.728  -2.011  -0.241
  658   2HD   LYS  48          2HD       LYS  48  -6.967  -3.280  -0.819
  659   2HE   LYS  48          2HE       LYS  48  -8.394  -1.500   0.260
  660   1HZ   LYS  48          1HZ       LYS  48  -7.008  -3.081   1.569
  661   2HZ   LYS  48          2HZ       LYS  48  -5.828  -1.944   1.666
  662   3HZ   LYS  48          3HZ       LYS  48  -7.285  -1.680   2.355
  663    H    TYR  49           H        TYR  49  -2.439   1.653  -2.757
  664    HA   TYR  49           HA       TYR  49  -2.659   1.408  -5.667
  665   2HB   TYR  49          2HB       TYR  49  -1.413   3.728  -5.427
  666    HD1  TYR  49           HD1      TYR  49  -4.614   2.036  -4.470
  667    HD2  TYR  49           HD2      TYR  49  -2.732   5.548  -6.075
  668    HE1  TYR  49           HE1      TYR  49  -6.744   2.642  -5.645
  669    HE2  TYR  49           HE2      TYR  49  -4.868   6.180  -7.233
  670    HH   TYR  49           HH       TYR  49  -7.046   5.607  -7.577
  671    H    ARG  50           H        ARG  50   0.095   1.472  -3.419
  672    HA   ARG  50           HA       ARG  50   2.148   1.424  -5.430
  673   2HB   ARG  50          2HB       ARG  50   2.850   1.645  -3.155
  674   2HG   ARG  50          2HG       ARG  50   1.445  -1.006  -2.728
  675   2HD   ARG  50          2HD       ARG  50   3.781   0.103  -1.153
  676    HE   ARG  50           HE       ARG  50   1.745  -1.978  -0.325
  677   1HH1  ARG  50          1HH1      ARG  50   4.054   0.375   0.771
  678   2HH1  ARG  50          2HH1      ARG  50   3.324   0.421   2.347
  679   1HH2  ARG  50          1HH2      ARG  50   0.884  -1.814   1.503
  680   2HH2  ARG  50          2HH2      ARG  50   1.407  -0.682   2.759
  681    H    GLU  51           H        GLU  51  -0.103  -1.048  -4.711
  682    HA   GLU  51           HA       GLU  51   1.396  -3.291  -5.844
  683   2HB   GLU  51          2HB       GLU  51  -1.600  -3.014  -5.368
  684   2HG   GLU  51          2HG       GLU  51   0.210  -5.465  -5.584
  685    H    MET  52           H        MET  52  -0.953  -0.965  -7.145
  686    HA   MET  52           HA       MET  52  -1.124  -2.413  -9.726
  687   2HB   MET  52          2HB       MET  52  -3.145  -1.370  -8.831
  688   2HG   MET  52          2HG       MET  52  -1.724   1.251  -9.429
  689   1HE   MET  52          1HE       MET  52  -6.144   1.099  -8.050
  690   2HE   MET  52          2HE       MET  52  -5.242  -0.405  -8.326
  691   3HE   MET  52          3HE       MET  52  -4.726   0.724  -7.051
  692    H    LEU  53           H        LEU  53   0.721   0.227  -8.377
  693    HA   LEU  53           HA       LEU  53   1.727   1.195 -10.948
  694   2HB   LEU  53          2HB       LEU  53   3.260   2.479  -9.284
  695    HG   LEU  53           HG       LEU  53   0.278   2.652  -9.720
  696   1HD1  LEU  53          1HD1      LEU  53   1.639   4.384  -7.638
  697   2HD1  LEU  53          2HD1      LEU  53  -0.050   4.494  -8.187
  698   3HD1  LEU  53          3HD1      LEU  53   0.467   3.100  -7.298
  699   1HD2  LEU  53          1HD2      LEU  53   0.895   4.561 -10.901
  700   2HD2  LEU  53          2HD2      LEU  53   2.294   4.866  -9.841
  701   3HD2  LEU  53          3HD2      LEU  53   2.346   3.560 -11.049
  702    HN2  GLY  54           HN2      GLY  54   3.424  -0.333  -8.184
  703   1HA   GLY  54          1HA       GLY  54   4.329  -2.605  -9.429
  704   2HA   GLY  54          2HA       GLY  54   5.509  -1.406  -9.944
  705    H    ILE  55           H        ILE  55   4.559  -0.737  -6.727
  706    HA   ILE  55           HA       ILE  55   7.241  -1.618  -5.868
  707    HB   ILE  55           HB       ILE  55   5.353   0.511  -4.946
  708   2HG1  ILE  55          2HG1      ILE  55   7.193   0.651  -6.843
  709   1HG2  ILE  55          1HG2      ILE  55   6.100  -0.450  -2.837
  710   2HG2  ILE  55          2HG2      ILE  55   7.782  -0.521  -3.411
  711   3HG2  ILE  55          3HG2      ILE  55   6.992   1.040  -3.111
  712   1HD1  ILE  55          1HD1      ILE  55   5.933   2.595  -5.976
  713   2HD1  ILE  55          2HD1      ILE  55   7.108   2.769  -4.651
  714   3HD1  ILE  55          3HD1      ILE  55   7.629   2.986  -6.333
  715    HA   PRO  56           HA       PRO  56   5.315  -4.917  -3.485
  716   2HB   PRO  56          2HB       PRO  56   7.149  -6.164  -3.986
  717   2HG   PRO  56          2HG       PRO  56   9.284  -5.182  -4.206
  718   2HD   PRO  56          2HD       PRO  56   8.036  -3.701  -5.526
  719    H    SER  57           H        SER  57   7.699  -2.952  -1.684
  720    HA   SER  57           HA       SER  57   5.634  -2.228   0.311
  721   2HB   SER  57          2HB       SER  57   6.647  -3.865   1.733
  722    HG   SER  57           HG       SER  57   8.396  -4.540   0.614
  723    H    SER  58           H        SER  58   8.952  -1.946  -0.140
  724    HA   SER  58           HA       SER  58  10.252   0.060  -0.937
  725   2HB   SER  58          2HB       SER  58  10.035   2.145   0.342
  726    HG   SER  58           HG       SER  58   7.568   1.358  -0.766
  727    H    ARG  59           H        ARG  59   9.409  -1.681   1.845
  728    HA   ARG  59           HA       ARG  59  11.713  -1.025   3.580
  729   2HB   ARG  59          2HB       ARG  59   9.422  -3.045   3.662
  730   2HG   ARG  59          2HG       ARG  59  11.555  -2.563   5.785
  731   2HD   ARG  59          2HD       ARG  59   8.843  -3.954   5.832
  732    HE   ARG  59           HE       ARG  59  11.163  -4.769   7.328
  733   1HH1  ARG  59          1HH1      ARG  59   7.715  -4.230   7.875
  734   2HH1  ARG  59          2HH1      ARG  59   7.660  -5.446   9.115
  735   1HH2  ARG  59          1HH2      ARG  59  10.971  -6.284   8.935
  736   2HH2  ARG  59          2HH2      ARG  59   9.392  -6.611   9.618
  737    H    GLU  60           H        GLU  60  10.560  -3.493   1.345
  738    HA   GLU  60           HA       GLU  60  12.950  -5.125   1.677
  739   2HB   GLU  60          2HB       GLU  60  10.678  -6.054   1.316
  740   2HG   GLU  60          2HG       GLU  60  10.197  -4.558  -0.831
  741    H    ARG  61           H        ARG  61  12.012  -2.550  -0.380
  742    HA   ARG  61           HA       ARG  61  13.958  -2.930  -2.523
  743   2HB   ARG  61          2HB       ARG  61  13.491  -0.574  -3.082
  744   2HG   ARG  61          2HG       ARG  61  10.912  -2.027  -2.369
  745   2HD   ARG  61          2HD       ARG  61  10.600   0.306  -3.180
  746    HE   ARG  61           HE       ARG  61  11.743   1.067  -5.002
  747   1HH1  ARG  61          1HH1      ARG  61  11.216  -2.344  -5.679
  748   2HH1  ARG  61          2HH1      ARG  61  11.915  -2.203  -7.275
  749   1HH2  ARG  61          1HH2      ARG  61  12.592   1.150  -7.007
  750   2HH2  ARG  61          2HH2      ARG  61  12.696  -0.297  -7.988
  751    H    ARG  62           H        ARG  62  14.065  -1.365   0.674
  752    HA   ARG  62           HA       ARG  62  16.666  -0.129   0.293
  753   2HB   ARG  62          2HB       ARG  62  14.770  -0.595   2.622
  754   2HG   ARG  62          2HG       ARG  62  16.552   1.746   2.732
  755   2HD   ARG  62          2HD       ARG  62  15.985  -0.569   4.594
  756    HE   ARG  62           HE       ARG  62  17.562   1.884   4.939
  757   1HH1  ARG  62          1HH1      ARG  62  15.560  -0.289   6.819
  758   2HH1  ARG  62          2HH1      ARG  62  16.301   0.205   8.326
  759   1HH2  ARG  62          1HH2      ARG  62  18.464   2.435   6.848
  760   2HH2  ARG  62          2HH2      ARG  62  17.901   1.713   8.336
  761    H    ILE  63           H        ILE  63  15.459  -2.720   2.414
  762    HA   ILE  63           HA       ILE  63  17.828  -3.043   3.826
  763    HB   ILE  63           HB       ILE  63  15.488  -3.681   4.495
  764   2HG1  ILE  63          2HG1      ILE  63  17.686  -5.699   5.109
  765   1HG2  ILE  63          1HG2      ILE  63  16.085  -6.358   3.176
  766   2HG2  ILE  63          2HG2      ILE  63  14.610  -5.862   4.030
  767   3HG2  ILE  63          3HG2      ILE  63  15.027  -5.121   2.476
  768   1HD1  ILE  63          1HD1      ILE  63  17.791  -4.456   7.272
  769   2HD1  ILE  63          2HD1      ILE  63  18.273  -3.430   5.914
  770   3HD1  ILE  63          3HD1      ILE  63  16.652  -3.254   6.630
  Start of MODEL    5
    1   1H5*    T  64          1H5*        T  64   9.740  -4.325  18.954
    2   2H5*    T  64          2H5*        T  64   9.218  -2.648  18.747
    3    H4*    T  64           H4*        T  64  10.555  -3.298  16.875
    4    H3*    T  64           H3*        T  64   7.647  -3.000  16.141
    5   1H2*    T  64          1H2*        T  64   8.235  -3.448  13.930
    6   2H2*    T  64          2H2*        T  64   9.970  -3.099  14.214
    7    H1*    T  64           H1*        T  64  10.167  -5.331  14.386
    8    H3     T  64           H3         T  64   7.093  -7.922  12.447
    9   1H5M    T  64          1H5M        T  64   5.415  -8.026  17.167
   10   2H5M    T  64          2H5M        T  64   5.115  -6.275  17.226
   11   3H5M    T  64          3H5M        T  64   4.174  -7.295  16.126
   12    H6     T  64           H6         T  64   7.259  -5.434  16.568
   13    H5T    T  64           H5T        T  64   7.513  -4.020  19.503
   14   1H5*    T  65          1H5*        T  65  10.058  -1.075  13.287
   15   2H5*    T  65          2H5*        T  65   9.485   0.492  12.705
   16    H4*    T  65           H4*        T  65   9.781  -1.251  10.876
   17    H3*    T  65           H3*        T  65   7.334   0.288  11.376
   18   1H2*    T  65          1H2*        T  65   5.857  -1.242  10.879
   19   2H2*    T  65          2H2*        T  65   6.572  -1.491   9.273
   20    H1*    T  65           H1*        T  65   7.830  -3.263   9.900
   21    H3     T  65           H3         T  65   4.543  -6.267  10.857
   22   1H5M    T  65          1H5M        T  65   4.000  -4.517  15.183
   23   2H5M    T  65          2H5M        T  65   5.351  -3.381  15.299
   24   3H5M    T  65          3H5M        T  65   3.798  -2.843  14.621
   25    H6     T  65           H6         T  65   6.284  -2.404  13.158
   26   1H5*    T  66          1H5*        T  66   8.297  -1.262   7.303
   27   2H5*    T  66          2H5*        T  66   8.127  -0.143   5.942
   28    H4*    T  66           H4*        T  66   7.203  -2.292   5.293
   29    H3*    T  66           H3*        T  66   5.651   0.087   5.252
   30   1H2*    T  66          1H2*        T  66   4.142  -0.622   6.845
   31   2H2*    T  66          2H2*        T  66   3.359  -1.428   5.472
   32    H1*    T  66           H1*        T  66   4.563  -3.476   5.849
   33    H3     T  66           H3         T  66   1.891  -5.534   8.884
   34   1H5M    T  66          1H5M        T  66   3.655  -1.824  11.860
   35   2H5M    T  66          2H5M        T  66   2.953  -0.594  10.786
   36   3H5M    T  66          3H5M        T  66   1.894  -1.720  11.648
   37    H6     T  66           H6         T  66   4.240  -1.321   8.909
   38   1H5*    T  67          1H5*        T  67   4.367  -3.785   3.383
   39   2H5*    T  67          2H5*        T  67   3.968  -3.516   1.680
   40    H4*    T  67           H4*        T  67   2.678  -5.371   2.500
   41    H3*    T  67           H3*        T  67   1.527  -3.082   1.323
   42   1H2*    T  67          1H2*        T  67   0.439  -2.411   3.333
   43   2H2*    T  67          2H2*        T  67  -0.832  -3.511   2.731
   44    H1*    T  67           H1*        T  67   0.140  -5.394   3.904
   45    H3     T  67           H3         T  67  -1.937  -5.094   7.916
   46   1H5M    T  67          1H5M        T  67   1.483  -0.941   7.606
   47   2H5M    T  67          2H5M        T  67  -0.184  -0.325   7.626
   48   3H5M    T  67          3H5M        T  67   0.455  -1.212   9.023
   49    H6     T  67           H6         T  67   1.105  -2.177   5.567
   50   1H5*    G  68          1H5*        G  68  -0.304  -7.488   1.116
   51   2H5*    G  68          2H5*        G  68  -0.970  -7.654  -0.510
   52    H4*    G  68           H4*        G  68  -1.990  -9.239   1.013
   53    H3*    G  68           H3*        G  68  -3.484  -7.680  -0.708
   54    H1*    G  68           H1*        G  68  -4.519  -8.197   2.992
   55    H8     G  68           H8         G  68  -2.794  -4.754   2.353
   56    H1     G  68           H1         G  68  -5.794  -5.390   8.047
   57   1H2     G  68          1H2         G  68  -7.023  -7.297   7.936
   58   2H2     G  68          2H2         G  68  -6.702  -8.462   6.657
   59   1H2*    G  68          1H2*        G  68  -4.149  -6.067   0.859
   60   2H2*    G  68          2H2*        G  68  -5.499  -7.208   1.092
   61   1H5*    G  69          1H5*        G  69  -5.758 -10.869   2.074
   62   2H5*    G  69          2H5*        G  69  -6.481 -11.909   0.848
   63    H4*    G  69           H4*        G  69  -7.730 -12.127   2.864
   64    H3*    G  69           H3*        G  69  -8.958 -11.576   0.460
   65    H1*    G  69           H1*        G  69  -9.970  -9.649   3.707
   66    H8     G  69           H8         G  69  -7.919  -7.555   1.145
   67    H1     G  69           H1         G  69  -9.219  -4.580   6.722
   68   1H2     G  69          1H2         G  69 -10.708  -5.827   7.860
   69   2H2     G  69          2H2         G  69 -11.203  -7.389   7.221
   70   1H2*    G  69          1H2*        G  69  -9.299  -9.294   0.779
   71   2H2*    G  69          2H2*        G  69 -10.807  -9.862   1.532
   72   1H5*    C  70          1H5*        C  70 -11.791 -11.891   4.105
   73   2H5*    C  70          2H5*        C  70 -13.314 -12.724   3.771
   74    H4*    C  70           H4*        C  70 -13.701 -10.766   5.142
   75    H3*    C  70           H3*        C  70 -15.011 -11.083   2.580
   76    H1*    C  70           H1*        C  70 -14.084  -8.065   4.627
   77   1H4     C  70          1H4         C  70 -10.854  -3.147   2.444
   78   2H4     C  70          2H4         C  70 -10.469  -3.955   0.915
   79    H5     C  70           H5         C  70 -10.936  -6.260   0.535
   80    H6     C  70           H6         C  70 -12.226  -8.186   1.358
   81   1H2*    C  70          1H2*        C  70 -14.214  -9.083   1.752
   82   2H2*    C  70          2H2*        C  70 -15.522  -8.355   2.718
   83   1H5*    A  71          1H5*        A  71 -16.706  -8.336   5.881
   84   2H5*    A  71          2H5*        A  71 -18.471  -8.236   5.947
   85    H4*    A  71           H4*        A  71 -17.436  -6.035   6.247
   86    H3*    A  71           H3*        A  71 -18.914  -6.385   3.623
   87    H1*    A  71           H1*        A  71 -16.089  -4.054   4.896
   88    H8     A  71           H8         A  71 -16.129  -6.314   1.787
   89   1H6     A  71          1H6         A  71 -12.609  -1.607  -0.529
   90   2H6     A  71          2H6         A  71 -13.104  -3.260  -0.935
   91    H2     A  71           H2         A  71 -14.313  -0.280   3.110
   92   1H2*    A  71          1H2*        A  71 -18.320  -4.240   3.017
   93   2H2*    A  71          2H2*        A  71 -18.261  -3.663   4.706
   94   1H5*    C  72          1H5*        C  72 -19.720  -3.302   6.881
   95   2H5*    C  72          2H5*        C  72 -21.383  -2.716   7.015
   96    H4*    C  72           H4*        C  72 -19.734  -0.878   7.251
   97    H3*    C  72           H3*        C  72 -21.610  -0.897   4.924
   98    H1*    C  72           H1*        C  72 -18.123   0.688   5.511
   99   1H4     C  72          1H4         C  72 -15.453   0.379  -0.293
  100   2H4     C  72          2H4         C  72 -16.532  -0.869  -0.717
  101    H5     C  72           H5         C  72 -18.058  -1.961   0.764
  102    H6     C  72           H6         C  72 -19.105  -1.822   2.977
  103   1H2*    C  72          1H2*        C  72 -20.478   0.553   3.730
  104   2H2*    C  72          2H2*        C  72 -20.106   1.610   5.134
  105   1H5*    G  73          1H5*        G  73 -21.092   3.098   7.101
  106   2H5*    G  73          2H5*        G  73 -22.576   4.070   7.112
  107    H4*    G  73           H4*        G  73 -20.704   5.492   6.589
  108    H3*    G  73           H3*        G  73 -22.405   4.925   4.152
  109    H1*    G  73           H1*        G  73 -18.580   5.427   4.015
  110    H8     G  73           H8         G  73 -21.296   2.793   3.497
  111    H1     G  73           H1         G  73 -16.990   3.418  -1.281
  112   1H2     G  73          1H2         G  73 -16.223   5.560  -1.222
  113   2H2     G  73          2H2         G  73 -16.557   6.541   0.199
  114   1H2*    G  73          1H2*        G  73 -20.901   6.354   2.931
  115   2H2*    G  73          2H2*        G  73 -20.191   7.005   4.439
  116   1H5*    T  74          1H5*        T  74 -21.232   8.935   4.166
  117   2H5*    T  74          2H5*        T  74 -22.489  10.124   3.777
  118    H4*    T  74           H4*        T  74 -20.448  10.398   2.338
  119    H3*    T  74           H3*        T  74 -22.973   9.469   0.955
  120   1H2*    T  74          1H2*        T  74 -21.727   9.535  -1.082
  121   2H2*    T  74          2H2*        T  74 -20.473  10.575  -0.360
  122    H1*    T  74           H1*        T  74 -19.333   8.740   0.048
  123    H3     T  74           H3         T  74 -20.035   5.134  -2.679
  124   1H5M    T  74          1H5M        T  74 -24.083   4.695   0.281
  125   2H5M    T  74          2H5M        T  74 -22.899   3.430   0.671
  126   3H5M    T  74          3H5M        T  74 -23.108   4.808   1.763
  127    H6     T  74           H6         T  74 -22.158   7.009   1.211
  128   1H5*    T  75          1H5*        T  75 -20.956  12.521  -1.175
  129   2H5*    T  75          2H5*        T  75 -21.985  13.855  -1.693
  130    H4*    T  75           H4*        T  75 -20.625  13.007  -3.544
  131    H3*    T  75           H3*        T  75 -23.462  13.319  -3.569
  132   1H2*    T  75          1H2*        T  75 -24.114  11.308  -4.105
  133   2H2*    T  75          2H2*        T  75 -23.487  11.593  -5.737
  134    H1*    T  75           H1*        T  75 -21.581  10.456  -5.388
  135    H3     T  75           H3         T  75 -22.443   6.027  -4.901
  136   1H5M    T  75          1H5M        T  75 -25.371   8.736  -1.286
  137   2H5M    T  75          2H5M        T  75 -25.357   6.965  -1.318
  138   3H5M    T  75          3H5M        T  75 -24.107   7.842  -0.417
  139    H6     T  75           H6         T  75 -23.528  10.040  -2.483
  140   1H5*    T  76          1H5*        T  76 -21.053  12.839  -7.528
  141   2H5*    T  76          2H5*        T  76 -21.574  13.914  -8.835
  142    H4*    T  76           H4*        T  76 -21.071  11.670  -9.699
  143    H3*    T  76           H3*        T  76 -23.822  12.773  -9.873
  144   1H2*    T  76          1H2*        T  76 -24.889  10.800  -9.786
  145   2H2*    T  76          2H2*        T  76 -23.857  10.138 -11.076
  146    H1*    T  76           H1*        T  76 -22.442   9.102  -9.727
  147    H3     T  76           H3         T  76 -24.642   5.980  -7.220
  148   1H5M    T  76          1H5M        T  76 -27.232   9.621  -5.339
  149   2H5M    T  76          2H5M        T  76 -25.769   9.645  -4.321
  150   3H5M    T  76          3H5M        T  76 -26.043  10.940  -5.493
  151    H6     T  76           H6         T  76 -24.734  10.796  -7.363
  152   1H5*    C  77          1H5*        C  77 -22.171  10.209 -13.397
  153   2H5*    C  77          2H5*        C  77 -22.911  10.613 -14.950
  154    H4*    C  77           H4*        C  77 -23.003   8.224 -14.673
  155    H3*    C  77           H3*        C  77 -25.728   9.422 -14.158
  156    H1*    C  77           H1*        C  77 -24.079   6.116 -12.924
  157   1H4     C  77          1H4         C  77 -28.213   6.355  -8.139
  158   2H4     C  77          2H4         C  77 -28.373   8.116  -8.235
  159    H5     C  77           H5         C  77 -27.201   9.413  -9.918
  160    H6     C  77           H6         C  77 -25.640   9.212 -11.883
  161    H3T    C  77           H3T        C  77 -26.034   8.658 -16.337
  162   1H2*    C  77          1H2*        C  77 -26.504   7.206 -13.964
  163   2H2*    C  77          2H2*        C  77 -25.128   6.539 -14.894
  164   1H5*    G  78          1H5*        G  78 -33.835  -2.546  -7.567
  165   2H5*    G  78          2H5*        G  78 -32.870  -3.843  -6.845
  166    H4*    G  78           H4*        G  78 -32.011  -3.450  -9.032
  167    H3*    G  78           H3*        G  78 -30.232  -2.316  -6.863
  168    H1*    G  78           H1*        G  78 -30.653  -0.722 -10.417
  169    H8     G  78           H8         G  78 -31.613   0.110  -6.878
  170    H1     G  78           H1         G  78 -27.573   4.358  -9.578
  171   1H2     G  78          1H2         G  78 -26.641   3.385 -11.346
  172   2H2     G  78          2H2         G  78 -27.239   1.824 -11.913
  173   1H2*    G  78          1H2*        G  78 -28.833  -1.386  -8.435
  174   2H2*    G  78          2H2*        G  78 -29.378  -2.487  -9.750
  175    H5T    G  78           H5T        G  78 -33.276  -2.133  -5.358
  176   1H5*    A  79          1H5*        A  79 -27.727  -3.975  -9.826
  177   2H5*    A  79          2H5*        A  79 -26.397  -4.944  -9.181
  178    H4*    A  79           H4*        A  79 -25.613  -3.053 -10.635
  179    H3*    A  79           H3*        A  79 -24.800  -3.228  -7.757
  180    H1*    A  79           H1*        A  79 -25.227  -0.054 -10.093
  181    H8     A  79           H8         A  79 -27.162  -1.028  -6.952
  182   1H6     A  79          1H6         A  79 -26.259   5.009  -5.399
  183   2H6     A  79          2H6         A  79 -27.142   3.565  -4.883
  184    H2     A  79           H2         A  79 -23.807   4.197  -8.792
  185   1H2*    A  79          1H2*        A  79 -23.870  -1.138  -7.786
  186   2H2*    A  79          2H2*        A  79 -23.441  -1.243  -9.520
  187   1H5*    A  80          1H5*        A  80 -22.091  -2.390 -11.227
  188   2H5*    A  80          2H5*        A  80 -20.447  -3.050 -11.203
  189    H4*    A  80           H4*        A  80 -20.575  -0.597 -11.893
  190    H3*    A  80           H3*        A  80 -18.882  -1.542  -9.601
  191    H1*    A  80           H1*        A  80 -20.712   1.896 -10.195
  192    H8     A  80           H8         A  80 -21.508  -0.847  -7.622
  193   1H6     A  80          1H6         A  80 -23.328   3.931  -3.952
  194   2H6     A  80          2H6         A  80 -23.292   2.172  -4.039
  195    H2     A  80           H2         A  80 -21.450   5.590  -7.459
  196   1H2*    A  80          1H2*        A  80 -18.986   0.248  -8.498
  197   2H2*    A  80          2H2*        A  80 -18.563   1.282  -9.906
  198   1H5*    A  81          1H5*        A  81 -17.020   1.875 -11.938
  199   2H5*    A  81          2H5*        A  81 -15.281   1.611 -12.175
  200    H4*    A  81           H4*        A  81 -15.684   3.828 -11.102
  201    H3*    A  81           H3*        A  81 -14.220   1.663  -9.676
  202    H1*    A  81           H1*        A  81 -16.436   4.607  -8.323
  203    H8     A  81           H8         A  81 -16.948   0.769  -7.886
  204   1H6     A  81          1H6         A  81 -20.478   2.577  -2.988
  205   2H6     A  81          2H6         A  81 -19.836   1.130  -3.771
  206    H2     A  81           H2         A  81 -19.141   6.101  -4.997
  207   1H2*    A  81          1H2*        A  81 -14.721   2.314  -7.623
  208   2H2*    A  81          2H2*        A  81 -14.341   4.021  -7.983
  209   1H5*    C  82          1H5*        C  82 -12.868   6.063  -9.041
  210   2H5*    C  82          2H5*        C  82 -11.122   6.220  -8.790
  211    H4*    C  82           H4*        C  82 -12.321   7.465  -7.059
  212    H3*    C  82           H3*        C  82 -10.833   5.002  -6.225
  213    H1*    C  82           H1*        C  82 -13.954   6.853  -4.714
  214   1H4     C  82          1H4         C  82 -17.372   2.165  -2.250
  215   2H4     C  82          2H4         C  82 -16.477   1.057  -3.206
  216    H5     C  82           H5         C  82 -14.944   1.675  -4.980
  217    H6     C  82           H6         C  82 -13.643   3.449  -5.909
  218   1H2*    C  82          1H2*        C  82 -11.880   4.801  -4.288
  219   2H2*    C  82          2H2*        C  82 -11.845   6.553  -3.928
  220   1H5*    G  83          1H5*        G  83 -10.112   8.677  -3.513
  221   2H5*    G  83          2H5*        G  83  -8.495   8.607  -2.809
  222    H4*    G  83           H4*        G  83 -10.127   9.190  -1.175
  223    H3*    G  83           H3*        G  83  -8.221   7.548  -0.552
  224    H1*    G  83           H1*        G  83 -11.825   6.563   0.365
  225    H8     G  83           H8         G  83 -10.216   4.408  -2.417
  226    H1     G  83           H1         G  83 -15.276   1.711   0.541
  227   1H2     G  83          1H2         G  83 -15.682   2.929   2.378
  228   2H2     G  83          2H2         G  83 -14.953   4.522   2.551
  229   1H2*    G  83          1H2*        G  83  -9.312   5.566  -1.001
  230   2H2*    G  83          2H2*        G  83  -9.710   5.662   0.723
  231   1H5*    T  84          1H5*        T  84 -11.664   7.525   3.113
  232   2H5*    T  84          2H5*        T  84 -10.592   7.971   4.460
  233    H4*    T  84           H4*        T  84 -12.152   6.248   5.208
  234    H3*    T  84           H3*        T  84  -9.346   6.054   5.526
  235   1H2*    T  84          1H2*        T  84  -9.058   4.466   3.832
  236   2H2*    T  84          2H2*        T  84  -9.317   3.364   5.214
  237    H1*    T  84           H1*        T  84 -11.667   3.247   4.811
  238    H3     T  84           H3         T  84 -12.562   0.132   1.688
  239   1H5M    T  84          1H5M        T  84  -9.190   1.591  -1.134
  240   2H5M    T  84          2H5M        T  84  -8.896   3.221  -0.554
  241   3H5M    T  84          3H5M        T  84  -7.982   1.864   0.143
  242    H6     T  84           H6         T  84  -9.415   3.766   1.830
  243   1H5*    G  85          1H5*        G  85 -13.104   4.995   8.819
  244   2H5*    G  85          2H5*        G  85 -12.631   5.147  10.516
  245    H4*    G  85           H4*        G  85 -13.555   2.954  10.239
  246    H3*    G  85           H3*        G  85 -10.539   2.920  10.372
  247    H1*    G  85           H1*        G  85 -13.221   0.559   8.790
  248    H8     G  85           H8         G  85 -10.161   2.240   7.147
  249    H1     G  85           H1         G  85 -11.988  -3.391   4.545
  250   1H2     G  85          1H2         G  85 -13.441  -4.355   5.941
  251   2H2     G  85          2H2         G  85 -14.020  -3.471   7.355
  252   1H2*    G  85          1H2*        G  85 -10.426   0.785   9.710
  253   2H2*    G  85          2H2*        G  85 -11.895   0.289  10.601
  254   1H5*    C  86          1H5*        C  86 -12.814  -0.025  13.181
  255   2H5*    C  86          2H5*        C  86 -11.951  -0.155  14.720
  256    H4*    C  86           H4*        C  86 -12.674  -2.355  13.925
  257    H3*    C  86           H3*        C  86  -9.869  -1.721  14.434
  258    H1*    C  86           H1*        C  86 -11.387  -4.185  11.738
  259   1H4     C  86          1H4         C  86  -8.534  -2.878   6.231
  260   2H4     C  86          2H4         C  86  -7.885  -1.413   6.890
  261    H5     C  86           H5         C  86  -8.345  -0.546   9.039
  262    H6     C  86           H6         C  86  -9.416  -1.070  11.198
  263   1H2*    C  86          1H2*        C  86  -8.937  -2.760  12.687
  264   2H2*    C  86          2H2*        C  86  -9.662  -4.293  13.186
  265   1H5*    C  87          1H5*        C  87 -11.385  -6.140  15.106
  266   2H5*    C  87          2H5*        C  87 -10.425  -7.075  16.259
  267    H4*    C  87           H4*        C  87 -10.820  -8.335  14.188
  268    H3*    C  87           H3*        C  87  -7.942  -7.467  14.584
  269    H1*    C  87           H1*        C  87  -9.879  -8.127  11.279
  270   1H4     C  87          1H4         C  87  -6.630  -3.723   8.241
  271   2H4     C  87          2H4         C  87  -6.057  -3.057   9.760
  272    H5     C  87           H5         C  87  -6.358  -4.001  11.764
  273    H6     C  87           H6         C  87  -7.616  -5.724  13.082
  274   1H2*    C  87          1H2*        C  87  -7.430  -8.645  12.572
  275   2H2*    C  87          2H2*        C  87  -8.935  -9.598  12.659
  276   1H5*    A  88          1H5*        A  88  -8.267 -11.494  13.435
  277   2H5*    A  88          2H5*        A  88  -7.229 -12.646  14.255
  278    H4*    A  88           H4*        A  88  -7.166 -12.701  11.747
  279    H3*    A  88           H3*        A  88  -5.041 -13.079  13.513
  280    H1*    A  88           H1*        A  88  -4.735 -10.953  10.236
  281    H8     A  88           H8         A  88  -5.149  -8.861  13.506
  282   1H6     A  88          1H6         A  88  -2.641  -4.253  10.085
  283   2H6     A  88          2H6         A  88  -3.339  -4.626  11.663
  284    H2     A  88           H2         A  88  -2.806  -7.755   7.578
  285   1H2*    A  88          1H2*        A  88  -3.997 -11.042  13.176
  286   2H2*    A  88          2H2*        A  88  -3.246 -11.891  11.802
  287   1H5*    A  89          1H5*        A  89  -4.476 -13.534   8.957
  288   2H5*    A  89          2H5*        A  89  -3.809 -15.134   8.607
  289    H4*    A  89           H4*        A  89  -3.105 -13.543   6.921
  290    H3*    A  89           H3*        A  89  -1.327 -15.211   8.297
  291    H1*    A  89           H1*        A  89  -0.605 -11.602   7.298
  292    H8     A  89           H8         A  89  -1.029 -11.941  11.164
  293   1H6     A  89          1H6         A  89   0.583  -5.877  11.101
  294   2H6     A  89          2H6         A  89   0.133  -7.193  12.189
  295    H2     A  89           H2         A  89   0.471  -7.250   7.012
  296   1H2*    A  89          1H2*        A  89  -0.393 -13.542   9.633
  297   2H2*    A  89          2H2*        A  89   0.687 -13.365   8.222
  298   1H5*    A  90          1H5*        A  90   0.518 -12.722   4.627
  299   2H5*    A  90          2H5*        A  90   1.412 -13.898   3.659
  300    H4*    A  90           H4*        A  90   2.544 -11.791   3.541
  301    H3*    A  90           H3*        A  90   3.867 -14.130   4.400
  302    H1*    A  90           H1*        A  90   4.463 -10.577   5.728
  303    H8     A  90           H8         A  90   2.823 -12.917   8.381
  304   1H6     A  90          1H6         A  90   3.197  -7.812  12.020
  305   2H6     A  90          2H6         A  90   2.627  -9.479  12.008
  306    H2     A  90           H2         A  90   5.020  -6.858   8.232
  307   1H2*    A  90          1H2*        A  90   4.131 -13.476   6.609
  308   2H2*    A  90          2H2*        A  90   5.588 -12.668   5.965
  309   1H5*    A  91          1H5*        A  91   6.762 -10.449   2.607
  310   2H5*    A  91          2H5*        A  91   8.180 -11.305   1.975
  311    H4*    A  91           H4*        A  91   8.936  -9.262   3.007
  312    H3*    A  91           H3*        A  91   9.532 -11.753   4.632
  313    H1*    A  91           H1*        A  91   8.877  -8.180   6.027
  314    H8     A  91           H8         A  91   7.888 -11.883   6.393
  315   1H6     A  91          1H6         A  91   6.009  -9.922  12.091
  316   2H6     A  91          2H6         A  91   6.083 -11.373  11.089
  317    H2     A  91           H2         A  91   7.833  -6.599  10.080
  318    H3T    A  91           H3T        A  91  11.656 -11.264   3.846
  319   1H2*    A  91          1H2*        A  91  10.519 -10.451   6.304
  320   2H2*    A  91          2H2*        A  91  10.801  -9.069   5.196
  321   1H    HIS   1          1H        HIS   1  -9.125  12.907   1.091
  322   2H    HIS   1          2H        HIS   1  -9.932  14.000   0.163
  323   3H    HIS   1          3H        HIS   1  -8.593  13.257  -0.421
  324    HA   HIS   1           HA       HIS   1  -9.663  11.134  -0.414
  325   2HB   HIS   1          2HB       HIS   1 -11.883  10.784   0.235
  326    HD1  HIS   1           HD1      HIS   1  -9.819  10.369   2.501
  327    HD2  HIS   1           HD2      HIS   1 -12.763  13.422   2.514
  328    HE1  HIS   1           HE1      HIS   1 -10.117  11.037   4.880
  329    H    MET   2           H        MET   2 -11.665  10.571  -1.961
  330    HA   MET   2           HA       MET   2 -12.453  10.595  -4.098
  331   2HB   MET   2          2HB       MET   2 -14.045  12.484  -4.446
  332   2HG   MET   2          2HG       MET   2 -15.321  12.201  -2.347
  333   1HE   MET   2          1HE       MET   2 -16.908  10.195  -1.672
  334   2HE   MET   2          2HE       MET   2 -16.615   8.504  -2.129
  335   3HE   MET   2          3HE       MET   2 -15.529   9.313  -0.973
  336    H    LEU   3           H        LEU   3  -9.785  11.214  -4.199
  337    HA   LEU   3           HA       LEU   3  -9.075  13.389  -5.878
  338   2HB   LEU   3          2HB       LEU   3  -6.947  11.998  -6.157
  339    HG   LEU   3           HG       LEU   3  -7.867  12.048  -3.263
  340   1HD1  LEU   3          1HD1      LEU   3  -5.589  11.024  -4.237
  341   2HD1  LEU   3          2HD1      LEU   3  -5.090  12.692  -4.245
  342   3HD1  LEU   3          3HD1      LEU   3  -5.634  11.936  -2.707
  343   1HD2  LEU   3          1HD2      LEU   3  -8.297  14.282  -4.112
  344   2HD2  LEU   3          2HD2      LEU   3  -6.779  14.340  -3.238
  345   3HD2  LEU   3          3HD2      LEU   3  -6.769  14.268  -5.025
  346    H    THR   4           H        THR   4  -7.733  13.026  -7.837
  347    HA   THR   4           HA       THR   4  -9.546  12.346 -10.036
  348    HB   THR   4           HB       THR   4  -7.791  13.173 -11.524
  349    HG1  THR   4           HG1      THR   4  -5.902  14.011 -10.499
  350   1HG2  THR   4          1HG2      THR   4  -7.606  15.466 -10.753
  351   2HG2  THR   4          2HG2      THR   4  -9.243  14.841 -10.486
  352   3HG2  THR   4          3HG2      THR   4  -8.123  14.993  -9.122
  353    H    GLN   5           H        GLN   5  -8.022  11.382 -12.052
  354    HA   GLN   5           HA       GLN   5  -7.980   8.606 -11.855
  355   2HB   GLN   5          2HB       GLN   5  -7.947   9.910 -13.925
  356   2HG   GLN   5          2HG       GLN   5  -4.966  10.321 -13.409
  357   1HE2  GLN   5          1HE2      GLN   5  -7.337  11.985 -15.568
  358   2HE2  GLN   5          2HE2      GLN   5  -6.450  11.572 -17.034
  359    HN2  GLY   6           HN2      GLY   6  -5.463  10.802 -10.692
  360   1HA   GLY   6          1HA       GLY   6  -4.443   8.742  -9.021
  361   2HA   GLY   6          2HA       GLY   6  -3.342   8.970 -10.392
  362    H    GLU   7           H        GLU   7  -5.148  11.474  -8.326
  363    HA   GLU   7           HA       GLU   7  -2.919  13.215  -8.312
  364   2HB   GLU   7          2HB       GLU   7  -4.647  13.714  -6.091
  365   2HG   GLU   7          2HG       GLU   7  -4.669  14.952  -8.861
  366    H    LEU   8           H        LEU   8  -3.486  10.390  -6.486
  367    HA   LEU   8           HA       LEU   8  -1.195  11.089  -4.677
  368   2HB   LEU   8          2HB       LEU   8  -3.395  10.630  -3.603
  369    HG   LEU   8           HG       LEU   8  -3.608   8.379  -5.214
  370   1HD1  LEU   8          1HD1      LEU   8  -2.735   7.522  -2.409
  371   2HD1  LEU   8          2HD1      LEU   8  -3.318   6.431  -3.652
  372   3HD1  LEU   8          3HD1      LEU   8  -1.764   7.264  -3.877
  373   1HD2  LEU   8          1HD2      LEU   8  -5.619   8.889  -4.302
  374   2HD2  LEU   8          2HD2      LEU   8  -5.231   7.550  -3.241
  375   3HD2  LEU   8          3HD2      LEU   8  -4.960   9.213  -2.687
  376    H    MET   9           H        MET   9  -2.013   9.256  -7.419
  377    HA   MET   9           HA       MET   9  -0.368   6.881  -6.899
  378   2HB   MET   9          2HB       MET   9  -2.357   7.752  -8.883
  379   2HG   MET   9          2HG       MET   9  -0.001   6.161  -9.859
  380   1HE   MET   9          1HE       MET   9  -2.750   3.567 -11.017
  381   2HE   MET   9          2HE       MET   9  -1.153   3.768 -10.271
  382   3HE   MET   9          3HE       MET   9  -2.611   4.342  -9.429
  383    H    LYS  10           H        LYS  10  -0.244   9.520  -9.266
  384    HA   LYS  10           HA       LYS  10   2.482   8.779 -10.050
  385   2HB   LYS  10          2HB       LYS  10   0.851   9.394 -11.683
  386   2HG   LYS  10          2HG       LYS  10   0.903  12.313 -11.118
  387   2HD   LYS  10          2HD       LYS  10  -1.576  10.646 -11.668
  388   2HE   LYS  10          2HE       LYS  10  -2.193  12.610 -13.028
  389   1HZ   LYS  10          1HZ       LYS  10  -1.297  13.411 -10.320
  390   2HZ   LYS  10          2HZ       LYS  10  -2.730  12.690 -10.658
  391   3HZ   LYS  10          3HZ       LYS  10  -2.410  14.196 -11.220
  392    H    LEU  11           H        LEU  11   2.042   9.738  -7.350
  393    HA   LEU  11           HA       LEU  11   3.972  11.993  -7.044
  394   2HB   LEU  11          2HB       LEU  11   2.601  12.641  -5.030
  395    HG   LEU  11           HG       LEU  11   0.775  13.806  -6.007
  396   1HD1  LEU  11          1HD1      LEU  11   3.088  13.788  -7.976
  397   2HD1  LEU  11          2HD1      LEU  11   1.912  15.097  -7.737
  398   3HD1  LEU  11          3HD1      LEU  11   3.051  14.681  -6.437
  399   1HD2  LEU  11          1HD2      LEU  11   0.158  11.777  -7.559
  400   2HD2  LEU  11          2HD2      LEU  11  -0.185  13.440  -8.098
  401   3HD2  LEU  11          3HD2      LEU  11   1.241  12.587  -8.708
  402    H    ILE  12           H        ILE  12   2.508   8.958  -5.643
  403    HA   ILE  12           HA       ILE  12   4.143   9.150  -3.246
  404    HB   ILE  12           HB       ILE  12   3.717   6.687  -3.050
  405   2HG1  ILE  12          2HG1      ILE  12   3.014   6.733  -5.751
  406   1HG2  ILE  12          1HG2      ILE  12   1.453   8.676  -3.183
  407   2HG2  ILE  12          2HG2      ILE  12   1.248   7.030  -2.567
  408   3HG2  ILE  12          3HG2      ILE  12   2.382   8.152  -1.776
  409   1HD1  ILE  12          1HD1      ILE  12   2.168   4.454  -5.311
  410   2HD1  ILE  12          2HD1      ILE  12   3.671   4.749  -4.427
  411   3HD1  ILE  12          3HD1      ILE  12   2.102   4.797  -3.578
  412    H    LYS  13           H        LYS  13   4.727   7.828  -6.419
  413    HA   LYS  13           HA       LYS  13   7.328   6.594  -5.540
  414   2HB   LYS  13          2HB       LYS  13   6.025   5.272  -7.009
  415   2HG   LYS  13          2HG       LYS  13   4.874   7.183  -8.318
  416   2HD   LYS  13          2HD       LYS  13   7.337   6.796 -10.084
  417   2HE   LYS  13          2HE       LYS  13   4.770   8.404 -10.449
  418   1HZ   LYS  13          1HZ       LYS  13   5.718   8.917 -12.611
  419   2HZ   LYS  13          2HZ       LYS  13   7.087   8.092 -12.277
  420   3HZ   LYS  13          3HZ       LYS  13   6.735   9.461 -11.449
  421    H    GLU  14           H        GLU  14   6.372   9.569  -6.381
  422    HA   GLU  14           HA       GLU  14   8.670  10.374  -8.080
  423   2HB   GLU  14          2HB       GLU  14   6.292  12.080  -7.267
  424   2HG   GLU  14          2HG       GLU  14   8.056  13.251  -8.546
  425    H    ILE  15           H        ILE  15   7.552  10.575  -4.797
  426    HA   ILE  15           HA       ILE  15   9.754  12.456  -4.105
  427    HB   ILE  15           HB       ILE  15   8.731  12.798  -1.998
  428   2HG1  ILE  15          2HG1      ILE  15   7.030  10.455  -2.697
  429   1HG2  ILE  15          1HG2      ILE  15   6.613  13.141  -4.152
  430   2HG2  ILE  15          2HG2      ILE  15   6.784  14.066  -2.648
  431   3HG2  ILE  15          3HG2      ILE  15   8.022  14.201  -3.907
  432   1HD1  ILE  15          1HD1      ILE  15   8.586  10.539  -0.738
  433   2HD1  ILE  15          2HD1      ILE  15   7.617  11.863  -0.055
  434   3HD1  ILE  15          3HD1      ILE  15   6.896  10.254  -0.263
  435    H    VAL  16           H        VAL  16   8.316   9.205  -3.281
  436    HA   VAL  16           HA       VAL  16  10.353   8.657  -1.401
  437    HB   VAL  16           HB       VAL  16   8.667   6.656  -2.964
  438   1HG1  VAL  16          1HG1      VAL  16  10.553   5.474  -2.059
  439   2HG1  VAL  16          2HG1      VAL  16  10.493   6.400  -0.550
  440   3HG1  VAL  16          3HG1      VAL  16   9.227   5.196  -0.929
  441   1HG2  VAL  16          1HG2      VAL  16   7.313   6.558  -0.927
  442   2HG2  VAL  16          2HG2      VAL  16   8.336   7.778  -0.141
  443   3HG2  VAL  16          3HG2      VAL  16   7.338   8.220  -1.517
  444    H    GLU  17           H        GLU  17  10.301   8.165  -4.911
  445    HA   GLU  17           HA       GLU  17  12.856   6.608  -4.784
  446   2HB   GLU  17          2HB       GLU  17  12.828   6.640  -7.246
  447   2HG   GLU  17          2HG       GLU  17  10.793   5.320  -7.655
  448    H    ASN  18           H        ASN  18  12.192   9.806  -4.319
  449    HA   ASN  18           HA       ASN  18  14.612  10.792  -5.685
  450   2HB   ASN  18          2HB       ASN  18  12.506  12.565  -4.447
  451   1HD2  ASN  18          1HD2      ASN  18  13.725  11.758  -7.697
  452   2HD2  ASN  18          2HD2      ASN  18  14.454  13.335  -7.994
  453    H    GLU  19           H        GLU  19  13.390   9.968  -2.551
  454    HA   GLU  19           HA       GLU  19  15.103  11.931  -1.159
  455   2HB   GLU  19          2HB       GLU  19  13.800  11.045   0.855
  456   2HG   GLU  19          2HG       GLU  19  11.561  11.974   0.121
  457    H    ASP  20           H        ASP  20  14.420   8.811   0.235
  458    HA   ASP  20           HA       ASP  20  17.274   8.030   0.032
  459   2HB   ASP  20          2HB       ASP  20  17.055   7.316   2.516
  460    H    LYS  21           H        LYS  21  16.661   6.549  -1.432
  461    HA   LYS  21           HA       LYS  21  14.981   4.257  -0.952
  462   2HB   LYS  21          2HB       LYS  21  16.286   3.129  -2.628
  463   2HG   LYS  21          2HG       LYS  21  16.310   6.032  -3.507
  464   2HD   LYS  21          2HD       LYS  21  15.368   3.548  -4.990
  465   2HE   LYS  21          2HE       LYS  21  16.476   6.152  -6.110
  466   1HZ   LYS  21          1HZ       LYS  21  16.061   4.179  -7.587
  467   2HZ   LYS  21          2HZ       LYS  21  14.458   4.271  -7.198
  468   3HZ   LYS  21          3HZ       LYS  21  15.180   5.492  -8.007
  469    H    ARG  22           H        ARG  22  17.945   5.142   0.474
  470    HA   ARG  22           HA       ARG  22  18.690   2.602   1.747
  471   2HB   ARG  22          2HB       ARG  22  20.207   3.956   3.077
  472   2HG   ARG  22          2HG       ARG  22  20.706   3.562   0.525
  473   2HD   ARG  22          2HD       ARG  22  19.598   5.613  -0.381
  474    HE   ARG  22           HE       ARG  22  19.850   7.470   1.078
  475   1HH1  ARG  22          1HH1      ARG  22  23.087   6.350   0.301
  476   2HH1  ARG  22          2HH1      ARG  22  23.795   7.787   1.004
  477   1HH2  ARG  22          1HH2      ARG  22  20.736   9.127   1.880
  478   2HH2  ARG  22          2HH2      ARG  22  22.488   9.368   1.894
  479    H    LYS  23           H        LYS  23  16.345   5.006   2.429
  480    HA   LYS  23           HA       LYS  23  15.543   3.797   5.026
  481   2HB   LYS  23          2HB       LYS  23  15.421   6.012   6.116
  482   2HG   LYS  23          2HG       LYS  23  18.272   5.486   5.165
  483   2HD   LYS  23          2HD       LYS  23  18.863   6.396   7.405
  484   2HE   LYS  23          2HE       LYS  23  17.285   8.346   5.667
  485   1HZ   LYS  23          1HZ       LYS  23  17.995   9.279   7.797
  486   2HZ   LYS  23          2HZ       LYS  23  19.541   8.815   7.538
  487   3HZ   LYS  23          3HZ       LYS  23  18.853   9.946   6.579
  488    HA   PRO  24           HA       PRO  24  12.381   4.989   1.827
  489   2HB   PRO  24          2HB       PRO  24  12.385   2.796   1.045
  490   2HG   PRO  24          2HG       PRO  24  12.640   0.935   2.554
  491   2HD   PRO  24          2HD       PRO  24  14.514   2.274   2.810
  492    H    TYR  25           H        TYR  25  10.176   5.661   1.954
  493    HA   TYR  25           HA       TYR  25   8.996   6.016   4.641
  494   2HB   TYR  25          2HB       TYR  25   7.163   7.110   3.501
  495    HD1  TYR  25           HD1      TYR  25  10.155   7.685   1.271
  496    HD2  TYR  25           HD2      TYR  25   7.634   9.152   4.437
  497    HE1  TYR  25           HE1      TYR  25  11.259   9.872   1.095
  498    HE2  TYR  25           HE2      TYR  25   8.816  11.356   4.341
  499    HH   TYR  25           HH       TYR  25  11.444  12.024   2.036
  500    H    SER  26           H        SER  26   6.572   5.428   4.730
  501    HA   SER  26           HA       SER  26   6.078   2.653   3.735
  502   2HB   SER  26          2HB       SER  26   6.854   2.477   6.038
  503    HG   SER  26           HG       SER  26   5.741   3.441   7.695
  504    H    ASP  27           H        ASP  27   3.720   2.108   3.918
  505    HA   ASP  27           HA       ASP  27   2.088   4.010   2.715
  506   2HB   ASP  27          2HB       ASP  27   1.666   1.700   2.528
  507    H    GLN  28           H        GLN  28   2.542   3.656   6.264
  508    HA   GLN  28           HA       GLN  28   0.491   5.619   6.902
  509   2HB   GLN  28          2HB       GLN  28   2.910   4.539   8.387
  510   2HG   GLN  28          2HG       GLN  28   2.547   6.780   9.245
  511   1HE2  GLN  28          1HE2      GLN  28   0.840   8.099   8.131
  512   2HE2  GLN  28          2HE2      GLN  28  -0.771   8.142   8.836
  513    H    GLU  29           H        GLU  29   4.118   5.854   6.523
  514    HA   GLU  29           HA       GLU  29   4.155   8.624   7.087
  515   2HB   GLU  29          2HB       GLU  29   6.440   8.462   6.087
  516   2HG   GLU  29          2HG       GLU  29   7.381   6.768   7.655
  517    H    ILE  30           H        ILE  30   4.163   7.035   3.836
  518    HA   ILE  30           HA       ILE  30   4.051   9.550   2.424
  519    HB   ILE  30           HB       ILE  30   3.432   8.410   0.477
  520   2HG1  ILE  30          2HG1      ILE  30   1.754   6.903   1.150
  521   1HG2  ILE  30          1HG2      ILE  30   5.364   7.073   0.197
  522   2HG2  ILE  30          2HG2      ILE  30   5.788   8.298   1.391
  523   3HG2  ILE  30          3HG2      ILE  30   5.414   6.635   1.917
  524   1HD1  ILE  30          1HD1      ILE  30   4.047   5.080   0.356
  525   2HD1  ILE  30          2HD1      ILE  30   2.328   4.776   0.127
  526   3HD1  ILE  30          3HD1      ILE  30   3.120   6.066  -0.793
  527    H    ALA  31           H        ALA  31   1.474   7.619   3.933
  528    HA   ALA  31           HA       ALA  31  -0.688   9.119   2.642
  529   1HB   ALA  31          1HB       ALA  31  -0.536   7.544   5.253
  530   2HB   ALA  31          2HB       ALA  31  -2.029   8.288   4.643
  531   3HB   ALA  31          3HB       ALA  31  -1.235   7.017   3.714
  532    H    ASN  32           H        ASN  32   1.309   9.653   5.495
  533    HA   ASN  32           HA       ASN  32  -0.235  11.785   6.638
  534   2HB   ASN  32          2HB       ASN  32   2.693  11.048   6.992
  535   1HD2  ASN  32          1HD2      ASN  32   3.659  12.875   7.915
  536   2HD2  ASN  32          2HD2      ASN  32   2.895  13.799   9.203
  537    H    ILE  33           H        ILE  33   2.800  11.912   4.719
  538    HA   ILE  33           HA       ILE  33   2.972  14.783   4.718
  539    HB   ILE  33           HB       ILE  33   4.002  12.934   2.564
  540   2HG1  ILE  33          2HG1      ILE  33   4.709  12.798   5.340
  541   1HG2  ILE  33          1HG2      ILE  33   5.863  14.618   2.393
  542   2HG2  ILE  33          2HG2      ILE  33   4.276  15.159   1.864
  543   3HG2  ILE  33          3HG2      ILE  33   4.901  15.693   3.444
  544   1HD1  ILE  33          1HD1      ILE  33   6.193  11.123   4.585
  545   2HD1  ILE  33          2HD1      ILE  33   4.866  11.161   3.407
  546   3HD1  ILE  33          3HD1      ILE  33   6.408  11.917   2.987
  547    H    LEU  34           H        LEU  34   1.239  12.582   2.619
  548    HA   LEU  34           HA       LEU  34   0.486  14.418   0.512
  549   2HB   LEU  34          2HB       LEU  34  -1.411  12.531   0.430
  550    HG   LEU  34           HG       LEU  34   0.011  12.486  -1.401
  551   1HD1  LEU  34          1HD1      LEU  34   2.088  13.339  -0.530
  552   2HD1  LEU  34          2HD1      LEU  34   2.361  11.864   0.422
  553   3HD1  LEU  34          3HD1      LEU  34   2.405  11.809  -1.358
  554   1HD2  LEU  34          1HD2      LEU  34  -0.862  10.252  -0.764
  555   2HD2  LEU  34          2HD2      LEU  34   0.649  10.172  -1.674
  556   3HD2  LEU  34          3HD2      LEU  34   0.654   9.910   0.083
  557    H    LYS  35           H        LYS  35  -0.578  14.036   3.733
  558    HA   LYS  35           HA       LYS  35  -3.212  15.355   3.245
  559   2HB   LYS  35          2HB       LYS  35  -2.473  13.521   5.091
  560   2HG   LYS  35          2HG       LYS  35  -2.757  16.075   6.724
  561   2HD   LYS  35          2HD       LYS  35  -1.562  13.366   7.411
  562   2HE   LYS  35          2HE       LYS  35  -2.419  15.698   9.182
  563   1HZ   LYS  35          1HZ       LYS  35  -0.825  13.283   9.829
  564   2HZ   LYS  35          2HZ       LYS  35  -1.290  14.437  10.885
  565   3HZ   LYS  35          3HZ       LYS  35  -2.416  13.455  10.219
  566    H    GLU  36           H        GLU  36   0.006  16.380   3.634
  567    HA   GLU  36           HA       GLU  36  -0.694  18.905   5.016
  568   2HB   GLU  36          2HB       GLU  36   1.682  19.376   4.920
  569   2HG   GLU  36          2HG       GLU  36   1.380  16.459   5.716
  570    H    LYS  37           H        LYS  37  -0.597  17.739   1.765
  571    HA   LYS  37           HA       LYS  37  -0.258  20.558   0.757
  572   2HB   LYS  37          2HB       LYS  37   1.794  19.411   0.562
  573   2HG   LYS  37          2HG       LYS  37   0.356  17.382  -1.184
  574   2HD   LYS  37          2HD       LYS  37   2.827  18.000  -1.690
  575   2HE   LYS  37          2HE       LYS  37   3.220  16.376   0.854
  576   1HZ   LYS  37          1HZ       LYS  37   5.049  16.314  -0.767
  577   2HZ   LYS  37          2HZ       LYS  37   5.145  17.948  -0.780
  578   3HZ   LYS  37          3HZ       LYS  37   5.525  17.121   0.575
  579    HN2  GLY  38           HN2      GLY  38  -2.127  17.545   0.037
  580   1HA   GLY  38          1HA       GLY  38  -4.317  19.177  -0.509
  581   2HA   GLY  38          2HA       GLY  38  -3.538  19.009  -2.077
  582    H    PHE  39           H        PHE  39  -3.272  16.127  -0.119
  583    HA   PHE  39           HA       PHE  39  -5.142  14.918  -2.070
  584   2HB   PHE  39          2HB       PHE  39  -3.730  12.985  -2.073
  585    HD1  PHE  39           HD2      PHE  39  -3.862  14.571  -4.193
  586    HD2  PHE  39           HD1      PHE  39  -0.815  14.739  -1.170
  587    HE1  PHE  39           HE2      PHE  39  -2.383  15.706  -5.796
  588    HE2  PHE  39           HE1      PHE  39   0.710  15.895  -2.787
  589    HZ   PHE  39           HZ       PHE  39  -0.069  16.410  -5.091
  590    H    LYS  40           H        LYS  40  -4.302  15.083   1.393
  591    HA   LYS  40           HA       LYS  40  -4.778  13.861   3.107
  592   2HB   LYS  40          2HB       LYS  40  -7.463  14.927   2.280
  593   2HG   LYS  40          2HG       LYS  40  -5.792  16.239   4.361
  594   2HD   LYS  40          2HD       LYS  40  -8.264  16.543   4.355
  595   2HE   LYS  40          2HE       LYS  40  -8.211  13.570   5.012
  596   1HZ   LYS  40          1HZ       LYS  40 -10.635  13.876   5.303
  597   2HZ   LYS  40          2HZ       LYS  40 -10.470  15.496   5.225
  598   3HZ   LYS  40          3HZ       LYS  40  -9.801  14.671   6.469
  599    H    VAL  41           H        VAL  41  -4.429  12.021   1.441
  600    HA   VAL  41           HA       VAL  41  -6.649  10.021   1.491
  601    HB   VAL  41           HB       VAL  41  -5.619  10.127  -0.643
  602   1HG1  VAL  41          1HG1      VAL  41  -3.205   9.670  -0.984
  603   2HG1  VAL  41          2HG1      VAL  41  -3.477  11.172  -0.114
  604   3HG1  VAL  41          3HG1      VAL  41  -2.942   9.720   0.766
  605   1HG2  VAL  41          1HG2      VAL  41  -4.498   7.667   0.787
  606   2HG2  VAL  41          2HG2      VAL  41  -6.099   7.809   0.035
  607   3HG2  VAL  41          3HG2      VAL  41  -4.629   7.838  -0.934
  608    H    ALA  42           H        ALA  42  -6.457   8.091   2.628
  609    HA   ALA  42           HA       ALA  42  -4.705   7.957   4.986
  610   1HB   ALA  42          1HB       ALA  42  -6.305   6.359   5.800
  611   2HB   ALA  42          2HB       ALA  42  -7.219   7.719   5.133
  612   3HB   ALA  42          3HB       ALA  42  -7.056   6.207   4.202
  613    H    ARG  43           H        ARG  43  -4.150   5.748   5.612
  614    HA   ARG  43           HA       ARG  43  -2.117   4.736   3.938
  615   2HB   ARG  43          2HB       ARG  43  -3.411   3.581   6.449
  616   2HG   ARG  43          2HG       ARG  43  -0.922   2.779   6.727
  617   2HD   ARG  43          2HD       ARG  43  -1.186   0.627   5.757
  618    HE   ARG  43           HE       ARG  43  -3.314   1.549   7.397
  619   1HH1  ARG  43          1HH1      ARG  43  -2.522  -1.115   5.244
  620   2HH1  ARG  43          2HH1      ARG  43  -3.615  -2.200   6.089
  621   1HH2  ARG  43          1HH2      ARG  43  -4.658   0.018   8.424
  622   2HH2  ARG  43          2HH2      ARG  43  -4.680  -1.614   7.764
  623    H    ARG  44           H        ARG  44  -5.422   3.724   4.113
  624    HA   ARG  44           HA       ARG  44  -5.103   0.933   3.397
  625   2HB   ARG  44          2HB       ARG  44  -7.505   2.711   2.786
  626   2HG   ARG  44          2HG       ARG  44  -7.749   0.323   2.140
  627   2HD   ARG  44          2HD       ARG  44  -8.135  -1.079   4.458
  628    HE   ARG  44           HE       ARG  44  -5.390  -1.393   3.590
  629   1HH1  ARG  44          1HH1      ARG  44  -8.684  -2.123   2.724
  630   2HH1  ARG  44          2HH1      ARG  44  -8.199  -3.529   1.821
  631   1HH2  ARG  44          1HH2      ARG  44  -4.888  -3.169   2.419
  632   2HH2  ARG  44          2HH2      ARG  44  -6.134  -4.034   1.554
  633    H    THR  45           H        THR  45  -5.582   3.915   1.665
  634    HA   THR  45           HA       THR  45  -6.032   2.753  -0.932
  635    HB   THR  45           HB       THR  45  -5.479   5.635  -0.104
  636    HG1  THR  45           HG1      THR  45  -7.317   5.768   0.874
  637   1HG2  THR  45          1HG2      THR  45  -7.022   6.188  -1.902
  638   2HG2  THR  45          2HG2      THR  45  -5.733   5.146  -2.524
  639   3HG2  THR  45          3HG2      THR  45  -7.340   4.459  -2.193
  640    H    VAL  46           H        VAL  46  -3.624   4.723   0.773
  641    HA   VAL  46           HA       VAL  46  -2.026   5.112  -1.464
  642    HB   VAL  46           HB       VAL  46  -2.167   6.255   0.960
  643   1HG1  VAL  46          1HG1      VAL  46   0.379   4.622   1.175
  644   2HG1  VAL  46          2HG1      VAL  46  -0.134   5.959   2.197
  645   3HG1  VAL  46          3HG1      VAL  46  -1.076   4.449   2.166
  646   1HG2  VAL  46          1HG2      VAL  46  -0.225   7.565   0.391
  647   2HG2  VAL  46          2HG2      VAL  46   0.371   6.280  -0.694
  648   3HG2  VAL  46          3HG2      VAL  46  -1.089   7.199  -1.091
  649    H    ALA  47           H        ALA  47  -2.156   2.519   0.898
  650    HA   ALA  47           HA       ALA  47   0.332   1.242   0.417
  651   1HB   ALA  47          1HB       ALA  47  -1.043   0.838   2.434
  652   2HB   ALA  47          2HB       ALA  47  -2.344   0.170   1.441
  653   3HB   ALA  47          3HB       ALA  47  -0.786  -0.681   1.560
  654    H    LYS  48           H        LYS  48  -2.946   0.810  -0.849
  655    HA   LYS  48           HA       LYS  48  -2.321  -1.389  -2.615
  656   2HB   LYS  48          2HB       LYS  48  -4.647  -0.731  -3.559
  657   2HG   LYS  48          2HG       LYS  48  -4.468  -1.342  -0.569
  658   2HD   LYS  48          2HD       LYS  48  -6.355  -2.902  -1.127
  659   2HE   LYS  48          2HE       LYS  48  -6.961   0.030  -1.690
  660   1HZ   LYS  48          1HZ       LYS  48  -9.182  -0.647  -0.837
  661   2HZ   LYS  48          2HZ       LYS  48  -8.811  -1.442  -2.214
  662   3HZ   LYS  48          3HZ       LYS  48  -8.698  -2.199  -0.772
  663    H    TYR  49           H        TYR  49  -1.970   2.028  -2.888
  664    HA   TYR  49           HA       TYR  49  -1.794   2.032  -5.801
  665   2HB   TYR  49          2HB       TYR  49  -0.829   4.386  -5.288
  666    HD1  TYR  49           HD1      TYR  49  -4.002   2.518  -4.433
  667    HD2  TYR  49           HD2      TYR  49  -2.199   6.026  -6.131
  668    HE1  TYR  49           HE1      TYR  49  -6.198   3.152  -5.441
  669    HE2  TYR  49           HE2      TYR  49  -4.386   6.635  -7.207
  670    HH   TYR  49           HH       TYR  49  -7.331   5.126  -6.345
  671    H    ARG  50           H        ARG  50   0.690   2.347  -3.172
  672    HA   ARG  50           HA       ARG  50   2.889   2.256  -5.045
  673   2HB   ARG  50          2HB       ARG  50   3.420   2.896  -2.825
  674   2HG   ARG  50          2HG       ARG  50   2.461   0.168  -1.934
  675   2HD   ARG  50          2HD       ARG  50   4.599   0.293  -0.928
  676    HE   ARG  50           HE       ARG  50   4.350   3.146  -0.895
  677   1HH1  ARG  50          1HH1      ARG  50   5.676   0.611   1.155
  678   2HH1  ARG  50          2HH1      ARG  50   6.985   1.635   1.686
  679   1HH2  ARG  50          1HH2      ARG  50   6.066   4.386  -0.096
  680   2HH2  ARG  50          2HH2      ARG  50   7.113   3.666   1.109
  681    H    GLU  51           H        GLU  51   0.765  -0.218  -4.049
  682    HA   GLU  51           HA       GLU  51   2.376  -2.469  -5.062
  683   2HB   GLU  51          2HB       GLU  51  -0.484  -2.171  -4.126
  684   2HG   GLU  51          2HG       GLU  51  -0.625  -3.959  -5.741
  685    H    MET  52           H        MET  52  -0.176  -0.392  -6.423
  686    HA   MET  52           HA       MET  52  -0.390  -2.100  -8.818
  687   2HB   MET  52          2HB       MET  52  -2.352  -0.927  -7.664
  688   2HG   MET  52          2HG       MET  52  -1.590   1.330  -9.552
  689   1HE   MET  52          1HE       MET  52  -4.463  -0.066  -9.784
  690   2HE   MET  52          2HE       MET  52  -5.481   1.387  -9.785
  691   3HE   MET  52          3HE       MET  52  -3.940   1.386 -10.669
  692    H    LEU  53           H        LEU  53   1.221   0.932  -7.978
  693    HA   LEU  53           HA       LEU  53   1.917   1.671 -10.699
  694   2HB   LEU  53          2HB       LEU  53   3.745   2.948  -9.385
  695    HG   LEU  53           HG       LEU  53   1.260   3.727 -10.187
  696   1HD1  LEU  53          1HD1      LEU  53   1.287   3.994  -7.166
  697   2HD1  LEU  53          2HD1      LEU  53   0.299   5.025  -8.175
  698   3HD1  LEU  53          3HD1      LEU  53   0.033   3.278  -8.186
  699   1HD2  LEU  53          1HD2      LEU  53   3.105   5.384  -8.446
  700   2HD2  LEU  53          2HD2      LEU  53   3.372   5.032 -10.177
  701   3HD2  LEU  53          3HD2      LEU  53   1.993   5.994  -9.690
  702    HN2  GLY  54           HN2      GLY  54   4.059   0.393  -8.104
  703   1HA   GLY  54          1HA       GLY  54   5.008  -1.826  -9.632
  704   2HA   GLY  54          2HA       GLY  54   6.084  -0.477  -9.963
  705    H    ILE  55           H        ILE  55   5.113  -0.259  -6.693
  706    HA   ILE  55           HA       ILE  55   7.768  -1.225  -5.846
  707    HB   ILE  55           HB       ILE  55   5.702   0.621  -4.708
  708   2HG1  ILE  55          2HG1      ILE  55   7.696   1.186  -6.337
  709   1HG2  ILE  55          1HG2      ILE  55   8.017  -0.576  -3.140
  710   2HG2  ILE  55          2HG2      ILE  55   7.090   0.849  -2.635
  711   3HG2  ILE  55          3HG2      ILE  55   6.284  -0.707  -2.748
  712   1HD1  ILE  55          1HD1      ILE  55   7.318   2.831  -3.800
  713   2HD1  ILE  55          2HD1      ILE  55   8.006   3.390  -5.334
  714   3HD1  ILE  55          3HD1      ILE  55   6.298   2.917  -5.253
  715    HA   PRO  56           HA       PRO  56   5.772  -4.884  -4.027
  716   2HB   PRO  56          2HB       PRO  56   7.671  -6.050  -4.511
  717   2HG   PRO  56          2HG       PRO  56   9.769  -5.011  -4.573
  718   2HD   PRO  56          2HD       PRO  56   8.664  -3.310  -5.731
  719    H    SER  57           H        SER  57   8.178  -3.436  -1.840
  720    HA   SER  57           HA       SER  57   6.084  -2.101  -0.289
  721   2HB   SER  57          2HB       SER  57   6.332  -4.363   0.767
  722    HG   SER  57           HG       SER  57   8.175  -4.810   1.893
  723    H    SER  58           H        SER  58   9.146  -2.151  -1.486
  724    HA   SER  58           HA       SER  58  11.098  -1.066  -1.329
  725   2HB   SER  58          2HB       SER  58  11.180   1.269  -0.457
  726    HG   SER  58           HG       SER  58   9.648   1.977  -2.095
  727    H    ARG  59           H        ARG  59   9.659  -2.028   1.604
  728    HA   ARG  59           HA       ARG  59  11.962  -1.575   3.386
  729   2HB   ARG  59          2HB       ARG  59   9.453  -3.305   3.446
  730   2HG   ARG  59          2HG       ARG  59  11.491  -3.061   5.694
  731   2HD   ARG  59          2HD       ARG  59   8.736  -4.354   5.436
  732    HE   ARG  59           HE       ARG  59   9.632  -5.912   6.881
  733   1HH1  ARG  59          1HH1      ARG  59  10.650  -2.786   8.103
  734   2HH1  ARG  59          2HH1      ARG  59  11.042  -3.455   9.668
  735   1HH2  ARG  59          1HH2      ARG  59  10.088  -6.654   8.853
  736   2HH2  ARG  59          2HH2      ARG  59  10.731  -5.590  10.081
  737    H    GLU  60           H        GLU  60  10.649  -4.046   1.259
  738    HA   GLU  60           HA       GLU  60  12.768  -5.916   1.815
  739   2HB   GLU  60          2HB       GLU  60  10.467  -6.607   1.342
  740   2HG   GLU  60          2HG       GLU  60  10.317  -5.045  -0.874
  741    H    ARG  61           H        ARG  61  12.351  -3.410  -0.510
  742    HA   ARG  61           HA       ARG  61  14.559  -4.157  -2.297
  743   2HB   ARG  61          2HB       ARG  61  14.371  -1.786  -3.076
  744   2HG   ARG  61          2HG       ARG  61  11.760  -3.343  -2.902
  745   2HD   ARG  61          2HD       ARG  61  11.178  -1.071  -3.461
  746    HE   ARG  61           HE       ARG  61  13.344  -1.199  -5.537
  747   1HH1  ARG  61          1HH1      ARG  61  11.099   0.858  -3.720
  748   2HH1  ARG  61          2HH1      ARG  61  11.664   2.281  -4.571
  749   1HH2  ARG  61          1HH2      ARG  61  13.955   0.689  -6.523
  750   2HH2  ARG  61          2HH2      ARG  61  13.121   2.181  -6.116
  751    H    ARG  62           H        ARG  62  14.186  -1.991   0.548
  752    HA   ARG  62           HA       ARG  62  16.846  -0.910   0.444
  753   2HB   ARG  62          2HB       ARG  62  14.598  -1.002   2.484
  754   2HG   ARG  62          2HG       ARG  62  16.316   1.282   2.812
  755   2HD   ARG  62          2HD       ARG  62  15.759  -1.125   4.563
  756    HE   ARG  62           HE       ARG  62  17.251   1.340   5.088
  757   1HH1  ARG  62          1HH1      ARG  62  15.167  -0.930   6.756
  758   2HH1  ARG  62          2HH1      ARG  62  15.804  -0.490   8.324
  759   1HH2  ARG  62          1HH2      ARG  62  18.027   1.823   7.068
  760   2HH2  ARG  62          2HH2      ARG  62  17.392   1.031   8.492
  761    H    ILE  63           H        ILE  63  15.355  -3.170   2.725
  762    HA   ILE  63           HA       ILE  63  17.549  -3.460   4.407
  763    HB   ILE  63           HB       ILE  63  15.120  -4.079   4.818
  764   2HG1  ILE  63          2HG1      ILE  63  17.277  -5.958   5.861
  765   1HG2  ILE  63          1HG2      ILE  63  14.948  -5.692   2.881
  766   2HG2  ILE  63          2HG2      ILE  63  15.939  -6.834   3.805
  767   3HG2  ILE  63          3HG2      ILE  63  14.360  -6.322   4.428
  768   1HD1  ILE  63          1HD1      ILE  63  15.953  -3.461   7.039
  769   2HD1  ILE  63          2HD1      ILE  63  17.043  -4.554   7.917
  770   3HD1  ILE  63          3HD1      ILE  63  17.658  -3.605   6.553
  Start of MODEL    6
    1   1H5*    T  64          1H5*        T  64   9.362  -3.391  19.267
    2   2H5*    T  64          2H5*        T  64   8.928  -1.752  18.766
    3    H4*    T  64           H4*        T  64  10.306  -2.756  17.091
    4    H3*    T  64           H3*        T  64   7.447  -2.463  16.178
    5   1H2*    T  64          1H2*        T  64   8.096  -3.298  14.098
    6   2H2*    T  64          2H2*        T  64   9.833  -2.976  14.400
    7    H1*    T  64           H1*        T  64   9.914  -5.163  14.951
    8    H3     T  64           H3         T  64   6.771  -7.881  13.315
    9   1H5M    T  64          1H5M        T  64   3.768  -6.578  16.727
   10   2H5M    T  64          2H5M        T  64   4.951  -7.106  17.944
   11   3H5M    T  64          3H5M        T  64   4.691  -5.372  17.642
   12    H6     T  64           H6         T  64   6.929  -4.778  16.991
   13    H5T    T  64           H5T        T  64   7.129  -2.909  19.653
   14   1H5*    T  65          1H5*        T  65  10.044  -1.095  13.170
   15   2H5*    T  65          2H5*        T  65   9.572   0.400  12.353
   16    H4*    T  65           H4*        T  65   9.845  -1.594  10.799
   17    H3*    T  65           H3*        T  65   7.407   0.058  11.001
   18   1H2*    T  65          1H2*        T  65   5.930  -1.481  10.520
   19   2H2*    T  65          2H2*        T  65   6.799  -1.966   9.045
   20    H1*    T  65           H1*        T  65   7.896  -3.669  10.036
   21    H3     T  65           H3         T  65   4.431  -6.394  11.137
   22   1H5M    T  65          1H5M        T  65   5.167  -3.039  15.255
   23   2H5M    T  65          2H5M        T  65   3.673  -2.523  14.448
   24   3H5M    T  65          3H5M        T  65   3.768  -4.126  15.207
   25    H6     T  65           H6         T  65   6.227  -2.351  13.070
   26   1H5*    T  66          1H5*        T  66   8.381  -1.836   6.928
   27   2H5*    T  66          2H5*        T  66   8.172  -0.713   5.572
   28    H4*    T  66           H4*        T  66   7.058  -2.791   4.994
   29    H3*    T  66           H3*        T  66   5.594  -0.314   5.175
   30   1H2*    T  66          1H2*        T  66   4.107  -1.039   6.720
   31   2H2*    T  66          2H2*        T  66   3.315  -1.870   5.378
   32    H1*    T  66           H1*        T  66   4.492  -3.908   5.783
   33    H3     T  66           H3         T  66   1.959  -5.905   8.935
   34   1H5M    T  66          1H5M        T  66   3.735  -1.781  11.555
   35   2H5M    T  66          2H5M        T  66   2.606  -0.865  10.535
   36   3H5M    T  66          3H5M        T  66   1.996  -2.093  11.657
   37    H6     T  66           H6         T  66   4.242  -1.653   8.774
   38   1H5*    T  67          1H5*        T  67   4.428  -4.075   3.753
   39   2H5*    T  67          2H5*        T  67   4.193  -4.164   2.030
   40    H4*    T  67           H4*        T  67   3.009  -5.961   2.966
   41    H3*    T  67           H3*        T  67   1.737  -4.053   1.365
   42   1H2*    T  67          1H2*        T  67   0.532  -3.108   3.257
   43   2H2*    T  67          2H2*        T  67  -0.653  -4.346   2.731
   44    H1*    T  67           H1*        T  67   0.365  -6.014   4.181
   45    H3     T  67           H3         T  67  -1.982  -5.452   7.986
   46   1H5M    T  67          1H5M        T  67  -0.261  -0.770   7.789
   47   2H5M    T  67          2H5M        T  67   0.595  -1.665   9.038
   48   3H5M    T  67          3H5M        T  67   1.426  -1.263   7.521
   49    H6     T  67           H6         T  67   1.150  -2.648   5.619
   50   1H5*    G  68          1H5*        G  68   0.260  -8.591   1.683
   51   2H5*    G  68          2H5*        G  68  -0.216  -9.051   0.046
   52    H4*    G  68           H4*        G  68  -1.307 -10.458   1.689
   53    H3*    G  68           H3*        G  68  -2.705  -9.284  -0.373
   54    H1*    G  68           H1*        G  68  -4.092  -9.213   3.269
   55    H8     G  68           H8         G  68  -2.430  -5.871   2.126
   56    H1     G  68           H1         G  68  -5.746  -5.635   7.677
   57   1H2     G  68          1H2         G  68  -6.994  -7.531   7.761
   58   2H2     G  68          2H2         G  68  -6.565  -8.880   6.721
   59   1H2*    G  68          1H2*        G  68  -3.598  -7.488   0.830
   60   2H2*    G  68          2H2*        G  68  -4.906  -8.654   1.141
   61   1H5*    G  69          1H5*        G  69  -5.296 -11.665   2.725
   62   2H5*    G  69          2H5*        G  69  -6.223 -12.875   1.830
   63    H4*    G  69           H4*        G  69  -7.546 -12.152   3.681
   64    H3*    G  69           H3*        G  69  -8.488 -11.877   1.005
   65    H1*    G  69           H1*        G  69  -9.232  -9.682   4.026
   66    H8     G  69           H8         G  69  -7.109  -7.709   1.409
   67    H1     G  69           H1         G  69  -9.244  -4.247   6.414
   68   1H2     G  69          1H2         G  69 -10.712  -5.497   7.562
   69   2H2     G  69          2H2         G  69 -10.994  -7.166   7.087
   70   1H2*    G  69          1H2*        G  69  -8.543  -9.548   1.058
   71   2H2*    G  69          2H2*        G  69 -10.143  -9.832   1.805
   72   1H5*    C  70          1H5*        C  70 -11.530 -11.522   4.541
   73   2H5*    C  70          2H5*        C  70 -13.054 -12.339   4.164
   74    H4*    C  70           H4*        C  70 -13.485 -10.295   5.379
   75    H3*    C  70           H3*        C  70 -14.579 -10.692   2.706
   76    H1*    C  70           H1*        C  70 -13.755  -7.651   4.803
   77   1H4     C  70          1H4         C  70 -10.478  -2.806   2.565
   78   2H4     C  70          2H4         C  70  -9.655  -3.753   1.323
   79    H5     C  70           H5         C  70 -10.054  -6.122   1.089
   80    H6     C  70           H6         C  70 -11.436  -8.015   1.887
   81   1H2*    C  70          1H2*        C  70 -13.805  -8.666   1.929
   82   2H2*    C  70          2H2*        C  70 -15.146  -7.963   2.872
   83   1H5*    A  71          1H5*        A  71 -16.715  -8.099   5.979
   84   2H5*    A  71          2H5*        A  71 -18.481  -8.124   5.866
   85    H4*    A  71           H4*        A  71 -17.604  -5.867   6.382
   86    H3*    A  71           H3*        A  71 -18.954  -6.230   3.699
   87    H1*    A  71           H1*        A  71 -16.277  -3.725   5.043
   88    H8     A  71           H8         A  71 -16.090  -6.100   2.016
   89   1H6     A  71          1H6         A  71 -12.448  -1.453  -0.221
   90   2H6     A  71          2H6         A  71 -12.903  -3.124  -0.589
   91    H2     A  71           H2         A  71 -14.403  -0.011   3.256
   92   1H2*    A  71          1H2*        A  71 -18.390  -4.095   3.067
   93   2H2*    A  71          2H2*        A  71 -18.453  -3.470   4.739
   94   1H5*    C  72          1H5*        C  72 -20.030  -3.068   6.836
   95   2H5*    C  72          2H5*        C  72 -21.721  -2.546   6.845
   96    H4*    C  72           H4*        C  72 -20.175  -0.621   7.047
   97    H3*    C  72           H3*        C  72 -21.865  -0.883   4.584
   98    H1*    C  72           H1*        C  72 -18.511   0.896   5.347
   99   1H4     C  72          1H4         C  72 -15.377   0.374  -0.202
  100   2H4     C  72          2H4         C  72 -16.451  -0.859  -0.689
  101    H5     C  72           H5         C  72 -18.063  -1.919   0.710
  102    H6     C  72           H6         C  72 -19.273  -1.724   2.840
  103   1H2*    C  72          1H2*        C  72 -20.726   0.584   3.415
  104   2H2*    C  72          2H2*        C  72 -20.506   1.713   4.793
  105   1H5*    G  73          1H5*        G  73 -21.871   3.360   6.504
  106   2H5*    G  73          2H5*        G  73 -23.438   4.140   6.228
  107    H4*    G  73           H4*        G  73 -21.717   5.735   5.749
  108    H3*    G  73           H3*        G  73 -22.930   4.648   3.195
  109    H1*    G  73           H1*        G  73 -19.229   5.688   3.528
  110    H8     G  73           H8         G  73 -21.567   2.723   2.952
  111    H1     G  73           H1         G  73 -16.912   3.410  -1.465
  112   1H2     G  73          1H2         G  73 -16.225   5.551  -1.410
  113   2H2     G  73          2H2         G  73 -16.586   6.539  -0.003
  114   1H2*    G  73          1H2*        G  73 -21.458   6.150   2.021
  115   2H2*    G  73          2H2*        G  73 -21.088   7.061   3.518
  116   1H5*    T  74          1H5*        T  74 -22.362   8.563   2.404
  117   2H5*    T  74          2H5*        T  74 -23.766   9.422   1.741
  118    H4*    T  74           H4*        T  74 -21.761   9.688   0.277
  119    H3*    T  74           H3*        T  74 -24.001   7.983  -0.844
  120   1H2*    T  74          1H2*        T  74 -22.692   7.799  -2.831
  121   2H2*    T  74          2H2*        T  74 -21.690   9.206  -2.383
  122    H1*    T  74           H1*        T  74 -20.246   7.763  -1.516
  123    H3     T  74           H3         T  74 -20.301   3.595  -3.444
  124   1H5M    T  74          1H5M        T  74 -23.069   2.195   0.141
  125   2H5M    T  74          2H5M        T  74 -23.533   3.724   0.910
  126   3H5M    T  74          3H5M        T  74 -24.384   3.167  -0.548
  127    H6     T  74           H6         T  74 -22.771   5.863   0.011
  128   1H5*    T  75          1H5*        T  75 -22.490  10.812  -3.625
  129   2H5*    T  75          2H5*        T  75 -23.738  11.765  -4.432
  130    H4*    T  75           H4*        T  75 -22.138  10.840  -6.040
  131    H3*    T  75           H3*        T  75 -24.987  10.508  -6.142
  132   1H2*    T  75          1H2*        T  75 -25.150   8.336  -6.354
  133   2H2*    T  75          2H2*        T  75 -24.445   8.476  -7.975
  134    H1*    T  75           H1*        T  75 -22.380   7.874  -7.314
  135    H3     T  75           H3         T  75 -22.468   3.507  -6.096
  136   1H5M    T  75          1H5M        T  75 -26.181   5.881  -3.189
  137   2H5M    T  75          2H5M        T  75 -25.369   4.447  -2.532
  138   3H5M    T  75          3H5M        T  75 -24.772   6.064  -2.121
  139    H6     T  75           H6         T  75 -24.373   7.597  -4.425
  140   1H5*    T  76          1H5*        T  76 -22.357   9.956  -9.959
  141   2H5*    T  76          2H5*        T  76 -23.074  10.660 -11.419
  142    H4*    T  76           H4*        T  76 -22.050   8.495 -11.926
  143    H3*    T  76           H3*        T  76 -25.000   8.827 -12.179
  144   1H2*    T  76          1H2*        T  76 -25.502   6.655 -11.871
  145   2H2*    T  76          2H2*        T  76 -24.249   6.145 -13.033
  146    H1*    T  76           H1*        T  76 -22.711   5.703 -11.515
  147    H3     T  76           H3         T  76 -24.242   2.487  -8.660
  148   1H5M    T  76          1H5M        T  76 -26.907   7.123  -7.664
  149   2H5M    T  76          2H5M        T  76 -27.617   5.566  -7.167
  150   3H5M    T  76          3H5M        T  76 -26.221   6.244  -6.293
  151    H6     T  76           H6         T  76 -25.409   7.104  -9.389
  152   1H5*    C  77          1H5*        C  77 -22.664   6.416 -15.368
  153   2H5*    C  77          2H5*        C  77 -23.438   6.426 -16.958
  154    H4*    C  77           H4*        C  77 -22.898   4.146 -16.425
  155    H3*    C  77           H3*        C  77 -25.855   4.591 -15.942
  156    H1*    C  77           H1*        C  77 -23.349   2.039 -14.420
  157   1H4     C  77          1H4         C  77 -27.587   1.570  -9.746
  158   2H4     C  77          2H4         C  77 -28.216   3.204 -10.011
  159    H5     C  77           H5         C  77 -27.353   4.627 -11.779
  160    H6     C  77           H6         C  77 -25.720   4.680 -13.696
  161    H3T    C  77           H3T        C  77 -25.196   4.844 -18.140
  162   1H2*    C  77          1H2*        C  77 -25.972   2.280 -15.516
  163   2H2*    C  77          2H2*        C  77 -24.457   1.939 -16.409
  164   1H5*    G  78          1H5*        G  78 -30.827  -8.503  -9.034
  165   2H5*    G  78          2H5*        G  78 -29.637  -9.417  -8.093
  166    H4*    G  78           H4*        G  78 -28.657  -8.949 -10.213
  167    H3*    G  78           H3*        G  78 -27.529  -7.206  -8.007
  168    H1*    G  78           H1*        G  78 -27.929  -6.063 -11.732
  169    H8     G  78           H8         G  78 -29.517  -5.284  -8.417
  170    H1     G  78           H1         G  78 -26.368  -0.300 -11.038
  171   1H2     G  78          1H2         G  78 -25.010  -1.101 -12.609
  172   2H2     G  78          2H2         G  78 -25.115  -2.799 -13.083
  173   1H2*    G  78          1H2*        G  78 -26.257  -6.043  -9.517
  174   2H2*    G  78          2H2*        G  78 -26.312  -7.344 -10.760
  175    H5T    G  78           H5T        G  78 -30.684  -7.787  -6.839
  176   1H5*    A  79          1H5*        A  79 -24.281  -8.154 -10.402
  177   2H5*    A  79          2H5*        A  79 -22.861  -8.682  -9.492
  178    H4*    A  79           H4*        A  79 -22.377  -6.679 -10.892
  179    H3*    A  79           H3*        A  79 -22.210  -6.449  -7.895
  180    H1*    A  79           H1*        A  79 -22.900  -3.761 -10.692
  181    H8     A  79           H8         A  79 -25.138  -4.862  -7.813
  182   1H6     A  79          1H6         A  79 -25.792   1.341  -6.864
  183   2H6     A  79          2H6         A  79 -26.448  -0.217  -6.331
  184    H2     A  79           H2         A  79 -22.701   0.829  -9.737
  185   1H2*    A  79          1H2*        A  79 -21.801  -4.200  -8.047
  186   2H2*    A  79          2H2*        A  79 -21.029  -4.343  -9.653
  187   1H5*    A  80          1H5*        A  80 -19.195  -5.284 -10.915
  188   2H5*    A  80          2H5*        A  80 -17.467  -5.478 -10.572
  189    H4*    A  80           H4*        A  80 -18.073  -3.234 -11.631
  190    H3*    A  80           H3*        A  80 -16.629  -3.453  -8.999
  191    H1*    A  80           H1*        A  80 -19.080  -0.693 -10.362
  192    H8     A  80           H8         A  80 -19.636  -3.229  -7.527
  193   1H6     A  80          1H6         A  80 -22.985   1.419  -4.875
  194   2H6     A  80          2H6         A  80 -22.580  -0.286  -4.674
  195    H2     A  80           H2         A  80 -21.043   3.001  -8.361
  196   1H2*    A  80          1H2*        A  80 -17.293  -1.598  -8.239
  197   2H2*    A  80          2H2*        A  80 -16.920  -0.699  -9.749
  198   1H5*    A  81          1H5*        A  81 -15.211  -0.032 -11.596
  199   2H5*    A  81          2H5*        A  81 -13.442   0.110 -11.558
  200    H4*    A  81           H4*        A  81 -14.489   2.277 -10.911
  201    H3*    A  81           H3*        A  81 -12.913   0.694  -8.912
  202    H1*    A  81           H1*        A  81 -15.887   3.212  -8.454
  203    H8     A  81           H8         A  81 -15.607  -0.554  -7.409
  204   1H6     A  81          1H6         A  81 -20.142   1.054  -3.360
  205   2H6     A  81          2H6         A  81 -19.111  -0.301  -3.820
  206    H2     A  81           H2         A  81 -19.318   4.469  -5.800
  207   1H2*    A  81          1H2*        A  81 -13.792   1.686  -7.111
  208   2H2*    A  81          2H2*        A  81 -13.784   3.304  -7.876
  209   1H5*    C  82          1H5*        C  82 -12.263   5.329  -8.984
  210   2H5*    C  82          2H5*        C  82 -10.585   5.674  -8.539
  211    H4*    C  82           H4*        C  82 -11.933   7.136  -7.249
  212    H3*    C  82           H3*        C  82 -11.088   4.774  -5.533
  213    H1*    C  82           H1*        C  82 -14.212   6.858  -5.082
  214   1H4     C  82          1H4         C  82 -17.148   2.089  -2.425
  215   2H4     C  82          2H4         C  82 -16.013   1.007  -3.137
  216    H5     C  82           H5         C  82 -14.381   1.638  -4.799
  217    H6     C  82           H6         C  82 -13.136   3.473  -5.726
  218   1H2*    C  82          1H2*        C  82 -12.011   6.031  -3.698
  219   2H2*    C  82          2H2*        C  82 -12.078   7.521  -4.670
  220   1H5*    G  83          1H5*        G  83  -9.824   8.518  -3.621
  221   2H5*    G  83          2H5*        G  83  -8.318   8.314  -2.725
  222    H4*    G  83           H4*        G  83 -10.083   9.288  -1.411
  223    H3*    G  83           H3*        G  83  -8.462   7.763  -0.230
  224    H1*    G  83           H1*        G  83 -12.147   6.800   0.196
  225    H8     G  83           H8         G  83 -10.388   4.636  -2.482
  226    H1     G  83           H1         G  83 -15.321   1.783   0.539
  227   1H2     G  83          1H2         G  83 -15.834   3.040   2.329
  228   2H2     G  83          2H2         G  83 -15.167   4.662   2.475
  229   1H2*    G  83          1H2*        G  83  -9.493   5.671  -0.677
  230   2H2*    G  83          2H2*        G  83 -10.102   5.993   0.973
  231   1H5*    T  84          1H5*        T  84 -12.051   7.757   3.194
  232   2H5*    T  84          2H5*        T  84 -11.113   8.290   4.605
  233    H4*    T  84           H4*        T  84 -12.334   6.301   5.228
  234    H3*    T  84           H3*        T  84  -9.478   6.424   5.408
  235   1H2*    T  84          1H2*        T  84  -9.141   4.870   3.707
  236   2H2*    T  84          2H2*        T  84  -9.276   3.733   5.084
  237    H1*    T  84           H1*        T  84 -11.654   3.519   4.761
  238    H3     T  84           H3         T  84 -12.541   0.335   1.720
  239   1H5M    T  84          1H5M        T  84  -8.807   3.491  -0.487
  240   2H5M    T  84          2H5M        T  84  -8.120   1.903  -0.087
  241   3H5M    T  84          3H5M        T  84  -9.414   2.048  -1.290
  242    H6     T  84           H6         T  84  -9.435   4.013   1.754
  243   1H5*    G  85          1H5*        G  85 -13.075   5.380   8.892
  244   2H5*    G  85          2H5*        G  85 -12.510   5.527  10.557
  245    H4*    G  85           H4*        G  85 -13.517   3.360  10.320
  246    H3*    G  85           H3*        G  85 -10.502   3.274  10.395
  247    H1*    G  85           H1*        G  85 -13.231   0.930   8.848
  248    H8     G  85           H8         G  85 -10.222   2.636   7.141
  249    H1     G  85           H1         G  85 -12.064  -2.988   4.554
  250   1H2     G  85          1H2         G  85 -13.556  -3.930   5.940
  251   2H2     G  85          2H2         G  85 -14.087  -3.082   7.396
  252   1H2*    G  85          1H2*        G  85 -10.411   1.147   9.690
  253   2H2*    G  85          2H2*        G  85 -11.861   0.649  10.614
  254   1H5*    C  86          1H5*        C  86 -12.742   0.264  13.077
  255   2H5*    C  86          2H5*        C  86 -11.886   0.026  14.608
  256    H4*    C  86           H4*        C  86 -12.582  -2.115  13.639
  257    H3*    C  86           H3*        C  86  -9.734  -1.495  14.113
  258    H1*    C  86           H1*        C  86 -11.450  -3.815  11.421
  259   1H4     C  86          1H4         C  86  -8.616  -2.539   5.888
  260   2H4     C  86          2H4         C  86  -7.986  -1.053   6.522
  261    H5     C  86           H5         C  86  -8.357  -0.225   8.714
  262    H6     C  86           H6         C  86  -9.383  -0.765  10.890
  263   1H2*    C  86          1H2*        C  86  -8.889  -2.589  12.360
  264   2H2*    C  86          2H2*        C  86  -9.712  -4.081  12.842
  265   1H5*    C  87          1H5*        C  87 -11.437  -5.768  14.707
  266   2H5*    C  87          2H5*        C  87 -10.585  -6.777  15.883
  267    H4*    C  87           H4*        C  87 -11.019  -8.009  13.807
  268    H3*    C  87           H3*        C  87  -8.105  -7.353  14.317
  269    H1*    C  87           H1*        C  87 -10.022  -7.953  10.976
  270   1H4     C  87          1H4         C  87  -6.628  -3.907   7.631
  271   2H4     C  87          2H4         C  87  -6.057  -3.116   9.086
  272    H5     C  87           H5         C  87  -6.430  -3.879  11.193
  273    H6     C  87           H6         C  87  -7.701  -5.509  12.615
  274   1H2*    C  87          1H2*        C  87  -7.564  -8.470  12.315
  275   2H2*    C  87          2H2*        C  87  -9.069  -9.425  12.333
  276   1H5*    A  88          1H5*        A  88  -8.722 -11.369  13.204
  277   2H5*    A  88          2H5*        A  88  -7.852 -12.596  14.118
  278    H4*    A  88           H4*        A  88  -7.628 -12.749  11.631
  279    H3*    A  88           H3*        A  88  -5.652 -13.222  13.542
  280    H1*    A  88           H1*        A  88  -4.958 -11.207  10.239
  281    H8     A  88           H8         A  88  -5.399  -9.064  13.476
  282   1H6     A  88          1H6         A  88  -2.697  -4.558  10.088
  283   2H6     A  88          2H6         A  88  -3.467  -4.894  11.640
  284    H2     A  88           H2         A  88  -2.798  -8.096   7.633
  285   1H2*    A  88          1H2*        A  88  -4.423 -11.292  13.218
  286   2H2*    A  88          2H2*        A  88  -3.666 -12.234  11.911
  287   1H5*    A  89          1H5*        A  89  -4.903 -13.721   9.113
  288   2H5*    A  89          2H5*        A  89  -4.268 -15.320   8.707
  289    H4*    A  89           H4*        A  89  -3.438 -13.653   7.148
  290    H3*    A  89           H3*        A  89  -1.748 -15.414   8.593
  291    H1*    A  89           H1*        A  89  -1.021 -11.833   7.525
  292    H8     A  89           H8         A  89  -1.450 -12.041  11.409
  293   1H6     A  89          1H6         A  89   0.560  -6.100  11.137
  294   2H6     A  89          2H6         A  89  -0.017  -7.332  12.264
  295    H2     A  89           H2         A  89   0.515  -7.664   7.118
  296   1H2*    A  89          1H2*        A  89  -0.736 -13.753   9.876
  297   2H2*    A  89          2H2*        A  89   0.310 -13.596   8.434
  298   1H5*    A  90          1H5*        A  90   0.237 -13.000   5.031
  299   2H5*    A  90          2H5*        A  90   1.124 -14.170   4.044
  300    H4*    A  90           H4*        A  90   2.382 -12.138   4.086
  301    H3*    A  90           H3*        A  90   3.492 -14.581   5.103
  302    H1*    A  90           H1*        A  90   4.176 -10.959   6.215
  303    H8     A  90           H8         A  90   2.410 -13.125   8.942
  304   1H6     A  90          1H6         A  90   3.053  -7.914  12.397
  305   2H6     A  90          2H6         A  90   2.375  -9.543  12.445
  306    H2     A  90           H2         A  90   5.038  -7.242   8.649
  307   1H2*    A  90          1H2*        A  90   3.862 -13.811   7.234
  308   2H2*    A  90          2H2*        A  90   5.303 -13.033   6.521
  309   1H5*    A  91          1H5*        A  91   6.595 -11.226   3.513
  310   2H5*    A  91          2H5*        A  91   8.054 -12.038   2.935
  311    H4*    A  91           H4*        A  91   8.733 -10.132   4.238
  312    H3*    A  91           H3*        A  91   9.047 -12.712   5.840
  313    H1*    A  91           H1*        A  91   8.492  -9.056   6.960
  314    H8     A  91           H8         A  91   7.237 -12.603   7.781
  315   1H6     A  91          1H6         A  91   5.642  -9.842  13.227
  316   2H6     A  91          2H6         A  91   5.600 -11.403  12.407
  317    H2     A  91           H2         A  91   7.644  -6.921  10.782
  318    H3T    A  91           H3T        A  91  10.429 -12.519   3.996
  319   1H2*    A  91          1H2*        A  91   9.969 -11.442   7.568
  320   2H2*    A  91          2H2*        A  91  10.436 -10.105   6.474
  321   1H    HIS   1          1H        HIS   1 -13.794  13.107   0.026
  322   2H    HIS   1          2H        HIS   1 -14.292  11.614   0.484
  323   3H    HIS   1          3H        HIS   1 -15.060  12.398  -0.737
  324    HA   HIS   1           HA       HIS   1 -12.271  11.464  -0.804
  325   2HB   HIS   1          2HB       HIS   1 -12.952   9.715  -2.284
  326    HD1  HIS   1           HD1      HIS   1 -12.481   9.075   0.631
  327    HD2  HIS   1           HD2      HIS   1 -16.329   9.057  -1.116
  328    HE1  HIS   1           HE1      HIS   1 -13.988   7.742   2.203
  329    H    MET   2           H        MET   2 -11.076  12.794  -2.007
  330    HA   MET   2           HA       MET   2 -12.527  14.766  -3.711
  331   2HB   MET   2          2HB       MET   2 -10.643  16.252  -3.148
  332   2HG   MET   2          2HG       MET   2 -11.004  16.534  -0.761
  333   1HE   MET   2          1HE       MET   2 -13.797  18.555  -2.632
  334   2HE   MET   2          2HE       MET   2 -12.188  18.606  -1.884
  335   3HE   MET   2          3HE       MET   2 -12.427  17.742  -3.420
  336    H    LEU   3           H        LEU   3  -9.817  12.437  -4.046
  337    HA   LEU   3           HA       LEU   3  -8.495  14.104  -5.947
  338   2HB   LEU   3          2HB       LEU   3  -6.910  12.180  -6.069
  339    HG   LEU   3           HG       LEU   3  -7.675  12.583  -3.164
  340   1HD1  LEU   3          1HD1      LEU   3  -4.882  12.677  -4.295
  341   2HD1  LEU   3          2HD1      LEU   3  -5.481  12.072  -2.704
  342   3HD1  LEU   3          3HD1      LEU   3  -5.683  11.136  -4.200
  343   1HD2  LEU   3          1HD2      LEU   3  -7.745  14.838  -4.024
  344   2HD2  LEU   3          2HD2      LEU   3  -6.166  14.635  -3.302
  345   3HD2  LEU   3          3HD2      LEU   3  -6.340  14.538  -5.069
  346    H    THR   4           H        THR   4  -7.527  13.391  -7.833
  347    HA   THR   4           HA       THR   4  -9.502  12.744  -9.923
  348    HB   THR   4           HB       THR   4  -7.727  13.172 -11.524
  349    HG1  THR   4           HG1      THR   4  -5.779  12.987 -10.995
  350   1HG2  THR   4          1HG2      THR   4  -8.923  15.117 -10.678
  351   2HG2  THR   4          2HG2      THR   4  -7.739  15.299  -9.372
  352   3HG2  THR   4          3HG2      THR   4  -7.233  15.496 -11.062
  353    H    GLN   5           H        GLN   5  -8.254  11.349 -11.823
  354    HA   GLN   5           HA       GLN   5  -8.446   8.643 -11.261
  355   2HB   GLN   5          2HB       GLN   5  -8.336   9.732 -13.510
  356   2HG   GLN   5          2HG       GLN   5  -6.173   9.811 -14.686
  357   1HE2  GLN   5          1HE2      GLN   5  -7.475  11.921 -14.784
  358   2HE2  GLN   5          2HE2      GLN   5  -6.781  13.280 -13.906
  359    HN2  GLY   6           HN2      GLY   6  -5.624  10.686 -10.533
  360   1HA   GLY   6          1HA       GLY   6  -4.528   8.610  -8.851
  361   2HA   GLY   6          2HA       GLY   6  -3.614   8.838 -10.347
  362    H    GLU   7           H        GLU   7  -5.152  11.519  -8.311
  363    HA   GLU   7           HA       GLU   7  -2.785  13.052  -8.368
  364   2HB   GLU   7          2HB       GLU   7  -4.463  13.761  -6.151
  365   2HG   GLU   7          2HG       GLU   7  -4.344  14.899  -8.964
  366    H    LEU   8           H        LEU   8  -3.569  10.345  -6.439
  367    HA   LEU   8           HA       LEU   8  -1.224  10.953  -4.666
  368   2HB   LEU   8          2HB       LEU   8  -3.385  10.606  -3.548
  369    HG   LEU   8           HG       LEU   8  -3.786   8.388  -5.181
  370   1HD1  LEU   8          1HD1      LEU   8  -2.970   7.450  -2.385
  371   2HD1  LEU   8          2HD1      LEU   8  -3.630   6.416  -3.646
  372   3HD1  LEU   8          3HD1      LEU   8  -2.027   7.150  -3.863
  373   1HD2  LEU   8          1HD2      LEU   8  -5.773   9.031  -4.299
  374   2HD2  LEU   8          2HD2      LEU   8  -5.471   7.696  -3.206
  375   3HD2  LEU   8          3HD2      LEU   8  -5.100   9.353  -2.690
  376    H    MET   9           H        MET   9  -2.114   9.113  -7.386
  377    HA   MET   9           HA       MET   9  -0.425   6.755  -6.926
  378   2HB   MET   9          2HB       MET   9  -2.447   7.621  -8.892
  379   2HG   MET   9          2HG       MET   9  -0.038   6.136  -9.895
  380   1HE   MET   9          1HE       MET   9  -1.262   4.959 -13.395
  381   2HE   MET   9          2HE       MET   9  -0.516   6.514 -12.966
  382   3HE   MET   9          3HE       MET   9   0.084   5.008 -12.237
  383    H    LYS  10           H        LYS  10  -0.377   9.453  -9.222
  384    HA   LYS  10           HA       LYS  10   2.353   8.809 -10.068
  385   2HB   LYS  10          2HB       LYS  10   0.615   9.460 -11.639
  386   2HG   LYS  10          2HG       LYS  10   0.774  12.355 -10.920
  387   2HD   LYS  10          2HD       LYS  10  -1.670  10.735 -11.746
  388   2HE   LYS  10          2HE       LYS  10  -0.905  13.680 -11.861
  389   1HZ   LYS  10          1HZ       LYS  10  -2.380  12.969 -13.699
  390   2HZ   LYS  10          2HZ       LYS  10  -3.116  14.013 -12.688
  391   3HZ   LYS  10          3HZ       LYS  10  -3.492  12.429 -12.618
  392    H    LEU  11           H        LEU  11   1.864   9.732  -7.317
  393    HA   LEU  11           HA       LEU  11   3.793  11.980  -7.001
  394   2HB   LEU  11          2HB       LEU  11   2.393  12.646  -5.002
  395    HG   LEU  11           HG       LEU  11   0.660  13.878  -6.043
  396   1HD1  LEU  11          1HD1      LEU  11   3.011  13.769  -7.957
  397   2HD1  LEU  11          2HD1      LEU  11   1.895  15.129  -7.724
  398   3HD1  LEU  11          3HD1      LEU  11   2.994  14.647  -6.408
  399   1HD2  LEU  11          1HD2      LEU  11   0.039  11.859  -7.633
  400   2HD2  LEU  11          2HD2      LEU  11  -0.263  13.534  -8.159
  401   3HD2  LEU  11          3HD2      LEU  11   1.166  12.667  -8.728
  402    H    ILE  12           H        ILE  12   2.393   8.926  -5.657
  403    HA   ILE  12           HA       ILE  12   3.944   9.084  -3.208
  404    HB   ILE  12           HB       ILE  12   3.751   6.568  -3.199
  405   2HG1  ILE  12          2HG1      ILE  12   3.078   6.732  -5.874
  406   1HG2  ILE  12          1HG2      ILE  12   2.327   7.863  -1.821
  407   2HG2  ILE  12          2HG2      ILE  12   1.284   8.307  -3.175
  408   3HG2  ILE  12          3HG2      ILE  12   1.324   6.628  -2.619
  409   1HD1  ILE  12          1HD1      ILE  12   2.392   4.395  -5.656
  410   2HD1  ILE  12          2HD1      ILE  12   3.762   4.686  -4.583
  411   3HD1  ILE  12          3HD1      ILE  12   2.108   4.600  -3.923
  412    H    LYS  13           H        LYS  13   4.703   8.022  -6.440
  413    HA   LYS  13           HA       LYS  13   7.384   6.973  -5.547
  414   2HB   LYS  13          2HB       LYS  13   6.247   5.483  -6.929
  415   2HG   LYS  13          2HG       LYS  13   4.701   7.041  -8.155
  416   2HD   LYS  13          2HD       LYS  13   6.181   8.709  -9.157
  417   2HE   LYS  13          2HE       LYS  13   7.380   6.360 -10.694
  418   1HZ   LYS  13          1HZ       LYS  13   7.150   8.345 -12.066
  419   2HZ   LYS  13          2HZ       LYS  13   7.882   9.283 -10.942
  420   3HZ   LYS  13          3HZ       LYS  13   8.731   8.113 -11.715
  421    H    GLU  14           H        GLU  14   6.161   9.825  -6.468
  422    HA   GLU  14           HA       GLU  14   8.464  10.841  -8.055
  423   2HB   GLU  14          2HB       GLU  14   5.955  12.387  -7.386
  424   2HG   GLU  14          2HG       GLU  14   7.881  13.444  -8.729
  425    H    ILE  15           H        ILE  15   7.121  10.931  -4.841
  426    HA   ILE  15           HA       ILE  15   9.084  13.013  -4.025
  427    HB   ILE  15           HB       ILE  15   7.926  13.217  -1.972
  428   2HG1  ILE  15          2HG1      ILE  15   6.545  10.700  -2.752
  429   1HG2  ILE  15          1HG2      ILE  15   5.905  13.339  -4.243
  430   2HG2  ILE  15          2HG2      ILE  15   5.856  14.234  -2.715
  431   3HG2  ILE  15          3HG2      ILE  15   7.150  14.558  -3.882
  432   1HD1  ILE  15          1HD1      ILE  15   6.845  12.148  -0.085
  433   2HD1  ILE  15          2HD1      ILE  15   6.334  10.465  -0.333
  434   3HD1  ILE  15          3HD1      ILE  15   7.993  10.952  -0.733
  435    H    VAL  16           H        VAL  16   7.974   9.629  -3.237
  436    HA   VAL  16           HA       VAL  16   9.979   9.237  -1.297
  437    HB   VAL  16           HB       VAL  16   8.546   7.180  -3.026
  438   1HG1  VAL  16          1HG1      VAL  16  10.451   6.845  -0.694
  439   2HG1  VAL  16          2HG1      VAL  16   9.249   5.596  -1.128
  440   3HG1  VAL  16          3HG1      VAL  16  10.506   6.062  -2.280
  441   1HG2  VAL  16          1HG2      VAL  16   7.231   6.784  -1.003
  442   2HG2  VAL  16          2HG2      VAL  16   8.150   8.017  -0.112
  443   3HG2  VAL  16          3HG2      VAL  16   7.102   8.489  -1.440
  444    H    GLU  17           H        GLU  17  10.120   8.782  -4.834
  445    HA   GLU  17           HA       GLU  17  12.854   7.581  -4.575
  446   2HB   GLU  17          2HB       GLU  17  12.879   7.313  -6.958
  447   2HG   GLU  17          2HG       GLU  17  10.149   6.429  -5.929
  448    H    ASN  18           H        ASN  18  11.810  10.636  -4.170
  449    HA   ASN  18           HA       ASN  18  14.147  11.882  -5.457
  450   2HB   ASN  18          2HB       ASN  18  11.793  13.432  -4.369
  451   1HD2  ASN  18          1HD2      ASN  18  13.276  12.703  -7.515
  452   2HD2  ASN  18          2HD2      ASN  18  13.863  14.340  -7.814
  453    H    GLU  19           H        GLU  19  12.883  10.937  -2.395
  454    HA   GLU  19           HA       GLU  19  14.287  13.070  -0.895
  455   2HB   GLU  19          2HB       GLU  19  13.122  11.924   1.072
  456   2HG   GLU  19          2HG       GLU  19  10.788  12.579   0.450
  457    H    ASP  20           H        ASP  20  14.009   9.710   0.151
  458    HA   ASP  20           HA       ASP  20  16.956   9.414   0.166
  459   2HB   ASP  20          2HB       ASP  20  16.788   8.530   2.524
  460    H    LYS  21           H        LYS  21  16.591   8.017  -1.504
  461    HA   LYS  21           HA       LYS  21  15.200   5.518  -1.466
  462   2HB   LYS  21          2HB       LYS  21  17.003   4.742  -3.009
  463   2HG   LYS  21          2HG       LYS  21  16.050   7.571  -3.638
  464   2HD   LYS  21          2HD       LYS  21  16.887   5.255  -5.447
  465   2HE   LYS  21          2HE       LYS  21  16.010   8.112  -6.051
  466   1HZ   LYS  21          1HZ       LYS  21  16.224   7.395  -8.349
  467   2HZ   LYS  21          2HZ       LYS  21  17.674   7.264  -7.614
  468   3HZ   LYS  21          3HZ       LYS  21  16.779   5.926  -7.908
  469    H    ARG  22           H        ARG  22  18.056   6.465   0.218
  470    HA   ARG  22           HA       ARG  22  18.852   3.791   1.181
  471   2HB   ARG  22          2HB       ARG  22  20.596   4.948   2.369
  472   2HG   ARG  22          2HG       ARG  22  21.774   6.172   0.717
  473   2HD   ARG  22          2HD       ARG  22  19.830   4.392  -0.798
  474    HE   ARG  22           HE       ARG  22  22.137   5.818  -1.734
  475   1HH1  ARG  22          1HH1      ARG  22  20.768   2.608  -2.023
  476   2HH1  ARG  22          2HH1      ARG  22  21.516   2.338  -3.581
  477   1HH2  ARG  22          1HH2      ARG  22  23.062   5.414  -3.691
  478   2HH2  ARG  22          2HH2      ARG  22  22.783   3.887  -4.489
  479    H    LYS  23           H        LYS  23  16.555   5.937   2.114
  480    HA   LYS  23           HA       LYS  23  15.941   4.551   4.699
  481   2HB   LYS  23          2HB       LYS  23  15.659   6.653   5.944
  482   2HG   LYS  23          2HG       LYS  23  18.503   6.468   4.854
  483   2HD   LYS  23          2HD       LYS  23  19.108   7.257   7.131
  484   2HE   LYS  23          2HE       LYS  23  17.285   9.186   5.627
  485   1HZ   LYS  23          1HZ       LYS  23  19.576   9.717   7.434
  486   2HZ   LYS  23          2HZ       LYS  23  18.738  10.848   6.608
  487   3HZ   LYS  23          3HZ       LYS  23  18.008  10.006   7.796
  488    HA   PRO  24           HA       PRO  24  12.483   5.633   1.812
  489   2HB   PRO  24          2HB       PRO  24  12.743   3.554   0.796
  490   2HG   PRO  24          2HG       PRO  24  13.238   1.601   2.095
  491   2HD   PRO  24          2HD       PRO  24  14.976   3.094   2.459
  492    H    TYR  25           H        TYR  25  10.120   5.573   1.979
  493    HA   TYR  25           HA       TYR  25   9.058   5.804   4.739
  494   2HB   TYR  25          2HB       TYR  25   7.125   6.833   3.653
  495    HD1  TYR  25           HD1      TYR  25   9.887   7.621   1.276
  496    HD2  TYR  25           HD2      TYR  25   7.753   8.796   4.818
  497    HE1  TYR  25           HE1      TYR  25  11.029   9.823   1.206
  498    HE2  TYR  25           HE2      TYR  25   8.967  10.977   4.821
  499    HH   TYR  25           HH       TYR  25  10.492  12.280   3.772
  500    H    SER  26           H        SER  26   6.491   5.128   4.538
  501    HA   SER  26           HA       SER  26   6.126   2.403   3.481
  502   2HB   SER  26          2HB       SER  26   6.938   1.868   5.649
  503    HG   SER  26           HG       SER  26   6.210   2.742   7.512
  504    H    ASP  27           H        ASP  27   3.698   1.758   3.842
  505    HA   ASP  27           HA       ASP  27   2.062   3.593   2.600
  506   2HB   ASP  27          2HB       ASP  27   1.459   1.309   2.649
  507    H    GLN  28           H        GLN  28   2.153   3.222   6.207
  508    HA   GLN  28           HA       GLN  28   0.306   5.356   6.689
  509   2HB   GLN  28          2HB       GLN  28   2.526   4.103   8.339
  510   2HG   GLN  28          2HG       GLN  28   2.253   6.343   9.217
  511   1HE2  GLN  28          1HE2      GLN  28   0.706   7.824   8.085
  512   2HE2  GLN  28          2HE2      GLN  28  -0.936   7.952   8.712
  513    H    GLU  29           H        GLU  29   3.956   5.408   6.407
  514    HA   GLU  29           HA       GLU  29   4.068   8.135   7.147
  515   2HB   GLU  29          2HB       GLU  29   6.379   7.961   6.217
  516   2HG   GLU  29          2HG       GLU  29   7.217   6.152   7.726
  517    H    ILE  30           H        ILE  30   4.105   6.693   3.851
  518    HA   ILE  30           HA       ILE  30   4.134   9.249   2.509
  519    HB   ILE  30           HB       ILE  30   3.488   8.170   0.518
  520   2HG1  ILE  30          2HG1      ILE  30   1.745   6.693   1.147
  521   1HG2  ILE  30          1HG2      ILE  30   5.395   6.327   1.987
  522   2HG2  ILE  30          2HG2      ILE  30   5.369   6.725   0.260
  523   3HG2  ILE  30          3HG2      ILE  30   5.822   7.967   1.429
  524   1HD1  ILE  30          1HD1      ILE  30   3.185   5.895  -0.806
  525   2HD1  ILE  30          2HD1      ILE  30   3.957   4.776   0.341
  526   3HD1  ILE  30          3HD1      ILE  30   2.225   4.652   0.007
  527    H    ALA  31           H        ALA  31   1.447   7.408   3.883
  528    HA   ALA  31           HA       ALA  31  -0.672   8.978   2.617
  529   1HB   ALA  31          1HB       ALA  31  -1.240   6.864   3.661
  530   2HB   ALA  31          2HB       ALA  31  -0.571   7.377   5.218
  531   3HB   ALA  31          3HB       ALA  31  -2.037   8.140   4.584
  532    H    ASN  32           H        ASN  32   1.320   9.422   5.505
  533    HA   ASN  32           HA       ASN  32  -0.169  11.615   6.620
  534   2HB   ASN  32          2HB       ASN  32   2.709  10.725   7.052
  535   1HD2  ASN  32          1HD2      ASN  32   3.736  12.503   8.011
  536   2HD2  ASN  32          2HD2      ASN  32   2.988  13.462   9.282
  537    H    ILE  33           H        ILE  33   2.924  11.610   4.786
  538    HA   ILE  33           HA       ILE  33   3.216  14.474   4.794
  539    HB   ILE  33           HB       ILE  33   4.216  12.541   2.700
  540   2HG1  ILE  33          2HG1      ILE  33   4.833  12.507   5.497
  541   1HG2  ILE  33          1HG2      ILE  33   5.197  15.304   3.449
  542   2HG2  ILE  33          2HG2      ILE  33   6.143  14.138   2.490
  543   3HG2  ILE  33          3HG2      ILE  33   4.593  14.706   1.883
  544   1HD1  ILE  33          1HD1      ILE  33   6.269  10.755   4.877
  545   2HD1  ILE  33          2HD1      ILE  33   5.001  10.787   3.637
  546   3HD1  ILE  33          3HD1      ILE  33   6.586  11.476   3.258
  547    H    LEU  34           H        LEU  34   1.465  12.345   2.644
  548    HA   LEU  34           HA       LEU  34   0.814  14.201   0.529
  549   2HB   LEU  34          2HB       LEU  34  -1.184  12.390   0.471
  550    HG   LEU  34           HG       LEU  34   0.234  12.297  -1.368
  551   1HD1  LEU  34          1HD1      LEU  34   2.344  13.065  -0.516
  552   2HD1  LEU  34          2HD1      LEU  34   2.556  11.603   0.467
  553   3HD1  LEU  34          3HD1      LEU  34   2.604  11.508  -1.312
  554   1HD2  LEU  34          1HD2      LEU  34  -0.723  10.082  -0.701
  555   2HD2  LEU  34          2HD2      LEU  34   0.759   9.960  -1.658
  556   3HD2  LEU  34          3HD2      LEU  34   0.808   9.685   0.094
  557    H    LYS  35           H        LYS  35  -0.332  13.882   3.752
  558    HA   LYS  35           HA       LYS  35  -2.867  15.354   3.204
  559   2HB   LYS  35          2HB       LYS  35  -2.266  13.493   5.074
  560   2HG   LYS  35          2HG       LYS  35  -2.445  16.063   6.693
  561   2HD   LYS  35          2HD       LYS  35  -1.438  13.285   7.409
  562   2HE   LYS  35          2HE       LYS  35  -2.169  15.670   9.164
  563   1HZ   LYS  35          1HZ       LYS  35  -0.743  13.155   9.835
  564   2HZ   LYS  35          2HZ       LYS  35  -1.147  14.337  10.885
  565   3HZ   LYS  35          3HZ       LYS  35  -2.324  13.432  10.206
  566    H    GLU  36           H        GLU  36   0.388  16.203   3.655
  567    HA   GLU  36           HA       GLU  36  -0.186  18.778   5.013
  568   2HB   GLU  36          2HB       GLU  36   2.213  19.101   4.985
  569   2HG   GLU  36          2HG       GLU  36   1.712  16.213   5.803
  570    H    LYS  37           H        LYS  37  -0.076  17.575   1.798
  571    HA   LYS  37           HA       LYS  37   0.345  20.348   0.712
  572   2HB   LYS  37          2HB       LYS  37   2.337  19.103   0.445
  573   2HG   LYS  37          2HG       LYS  37   0.736  17.096  -1.170
  574   2HD   LYS  37          2HD       LYS  37   3.234  17.557  -1.735
  575   2HE   LYS  37          2HE       LYS  37   3.573  15.962   0.836
  576   1HZ   LYS  37          1HZ       LYS  37   5.377  15.780  -0.799
  577   2HZ   LYS  37          2HZ       LYS  37   5.906  16.589   0.520
  578   3HZ   LYS  37          3HZ       LYS  37   5.556  17.406  -0.845
  579    HN2  GLY  38           HN2      GLY  38  -1.689  17.425   0.324
  580   1HA   GLY  38          1HA       GLY  38  -3.826  19.064   0.300
  581   2HA   GLY  38          2HA       GLY  38  -3.442  19.075  -1.420
  582    H    PHE  39           H        PHE  39  -2.672  15.986  -0.191
  583    HA   PHE  39           HA       PHE  39  -4.847  15.049  -1.849
  584   2HB   PHE  39          2HB       PHE  39  -3.582  12.982  -1.969
  585    HD1  PHE  39           HD2      PHE  39  -3.678  14.490  -4.110
  586    HD2  PHE  39           HD1      PHE  39  -0.514  14.607  -1.158
  587    HE1  PHE  39           HE2      PHE  39  -2.233  15.600  -5.736
  588    HE2  PHE  39           HE1      PHE  39   0.960  15.716  -2.823
  589    HZ   PHE  39           HZ       PHE  39   0.108  16.261  -5.102
  590    H    LYS  40           H        LYS  40  -4.194  15.194   1.419
  591    HA   LYS  40           HA       LYS  40  -4.670  13.991   3.345
  592   2HB   LYS  40          2HB       LYS  40  -6.148  15.803   3.282
  593   2HG   LYS  40          2HG       LYS  40  -7.597  14.385   1.178
  594   2HD   LYS  40          2HD       LYS  40  -9.757  15.643   1.936
  595   2HE   LYS  40          2HE       LYS  40  -9.339  13.148   1.424
  596   1HZ   LYS  40          1HZ       LYS  40  -9.721  11.698   3.287
  597   2HZ   LYS  40          2HZ       LYS  40  -8.379  12.544   3.576
  598   3HZ   LYS  40          3HZ       LYS  40  -9.776  12.952   4.355
  599    H    VAL  41           H        VAL  41  -4.190  12.006   1.418
  600    HA   VAL  41           HA       VAL  41  -6.471  10.139   1.539
  601    HB   VAL  41           HB       VAL  41  -5.582  10.213  -0.608
  602   1HG1  VAL  41          1HG1      VAL  41  -2.861   9.609   0.658
  603   2HG1  VAL  41          2HG1      VAL  41  -3.206   9.560  -1.074
  604   3HG1  VAL  41          3HG1      VAL  41  -3.341  11.088  -0.209
  605   1HG2  VAL  41          1HG2      VAL  41  -4.902   7.866  -0.992
  606   2HG2  VAL  41          2HG2      VAL  41  -4.476   7.663   0.682
  607   3HG2  VAL  41          3HG2      VAL  41  -6.173   7.920   0.237
  608    H    ALA  42           H        ALA  42  -6.453   8.221   2.624
  609    HA   ALA  42           HA       ALA  42  -4.697   7.864   4.919
  610   1HB   ALA  42          1HB       ALA  42  -6.459   6.273   5.613
  611   2HB   ALA  42          2HB       ALA  42  -7.182   7.813   5.111
  612   3HB   ALA  42          3HB       ALA  42  -7.224   6.417   4.015
  613    H    ARG  43           H        ARG  43  -4.163   5.688   5.526
  614    HA   ARG  43           HA       ARG  43  -2.203   4.614   3.838
  615   2HB   ARG  43          2HB       ARG  43  -3.579   3.344   6.235
  616   2HG   ARG  43          2HG       ARG  43  -0.638   3.161   5.700
  617   2HD   ARG  43          2HD       ARG  43  -1.583   2.352   7.844
  618    HE   ARG  43           HE       ARG  43  -3.566   1.180   7.610
  619   1HH1  ARG  43          1HH1      ARG  43  -1.298  -0.424   5.399
  620   2HH1  ARG  43          2HH1      ARG  43  -2.388  -1.781   5.244
  621   1HH2  ARG  43          1HH2      ARG  43  -4.779  -0.598   7.370
  622   2HH2  ARG  43          2HH2      ARG  43  -4.215  -1.944   6.421
  623    H    ARG  44           H        ARG  44  -5.529   3.643   4.032
  624    HA   ARG  44           HA       ARG  44  -5.168   0.899   3.141
  625   2HB   ARG  44          2HB       ARG  44  -7.627   2.681   2.818
  626   2HG   ARG  44          2HG       ARG  44  -8.100   0.578   1.756
  627   2HD   ARG  44          2HD       ARG  44  -8.084  -1.565   3.110
  628    HE   ARG  44           HE       ARG  44  -6.083  -0.563   1.433
  629   1HH1  ARG  44          1HH1      ARG  44  -6.169  -2.974   3.941
  630   2HH1  ARG  44          2HH1      ARG  44  -4.603  -3.619   3.474
  631   1HH2  ARG  44          1HH2      ARG  44  -4.214  -1.512   0.809
  632   2HH2  ARG  44          2HH2      ARG  44  -3.594  -2.876   1.708
  633    H    THR  45           H        THR  45  -5.775   3.959   1.629
  634    HA   THR  45           HA       THR  45  -6.348   3.032  -1.033
  635    HB   THR  45           HB       THR  45  -5.479   5.784  -0.121
  636    HG1  THR  45           HG1      THR  45  -7.331   6.259   0.822
  637   1HG2  THR  45          1HG2      THR  45  -7.631   4.891  -2.035
  638   2HG2  THR  45          2HG2      THR  45  -7.103   6.570  -1.731
  639   3HG2  THR  45          3HG2      THR  45  -5.997   5.417  -2.494
  640    H    VAL  46           H        VAL  46  -3.791   4.742   0.687
  641    HA   VAL  46           HA       VAL  46  -2.213   5.131  -1.539
  642    HB   VAL  46           HB       VAL  46  -2.259   6.159   0.951
  643   1HG1  VAL  46          1HG1      VAL  46   0.234   4.432   1.031
  644   2HG1  VAL  46          2HG1      VAL  46  -0.250   5.713   2.141
  645   3HG1  VAL  46          3HG1      VAL  46  -1.224   4.233   2.019
  646   1HG2  VAL  46          1HG2      VAL  46  -1.193   7.169  -1.078
  647   2HG2  VAL  46          2HG2      VAL  46  -0.286   7.424   0.409
  648   3HG2  VAL  46          3HG2      VAL  46   0.246   6.182  -0.746
  649    H    ALA  47           H        ALA  47  -2.461   2.444   0.682
  650    HA   ALA  47           HA       ALA  47  -0.003   1.119   0.095
  651   1HB   ALA  47          1HB       ALA  47  -1.155   0.761   2.207
  652   2HB   ALA  47          2HB       ALA  47  -2.610   0.193   1.366
  653   3HB   ALA  47          3HB       ALA  47  -1.113  -0.772   1.325
  654    H    LYS  48           H        LYS  48  -3.322   0.946  -1.195
  655    HA   LYS  48           HA       LYS  48  -2.817  -1.396  -2.867
  656   2HB   LYS  48          2HB       LYS  48  -4.994  -0.450  -3.995
  657   2HG   LYS  48          2HG       LYS  48  -5.118  -1.225  -1.047
  658   2HD   LYS  48          2HD       LYS  48  -7.052  -2.614  -1.879
  659   2HE   LYS  48          2HE       LYS  48  -7.409   0.390  -2.235
  660   1HZ   LYS  48          1HZ       LYS  48  -9.342  -0.820  -2.972
  661   2HZ   LYS  48          2HZ       LYS  48  -9.322  -1.808  -1.669
  662   3HZ   LYS  48          3HZ       LYS  48  -9.704  -0.239  -1.481
  663    H    TYR  49           H        TYR  49  -2.186   1.980  -3.179
  664    HA   TYR  49           HA       TYR  49  -1.938   1.934  -6.087
  665   2HB   TYR  49          2HB       TYR  49  -0.954   4.279  -5.560
  666    HD1  TYR  49           HD2      TYR  49  -4.136   2.353  -4.979
  667    HD2  TYR  49           HD1      TYR  49  -2.339   6.104  -6.059
  668    HE1  TYR  49           HE2      TYR  49  -6.300   3.113  -5.951
  669    HE2  TYR  49           HE1      TYR  49  -4.503   6.867  -7.052
  670    HH   TYR  49           HH       TYR  49  -7.091   6.055  -6.428
  671    H    ARG  50           H        ARG  50   0.485   2.167  -3.411
  672    HA   ARG  50           HA       ARG  50   2.791   2.100  -5.146
  673   2HB   ARG  50          2HB       ARG  50   3.107   2.738  -2.887
  674   2HG   ARG  50          2HG       ARG  50   2.222  -0.016  -1.960
  675   2HD   ARG  50          2HD       ARG  50   2.155   1.188   0.276
  676    HE   ARG  50           HE       ARG  50   4.124  -0.035   0.286
  677   1HH1  ARG  50          1HH1      ARG  50   4.870   3.014  -1.304
  678   2HH1  ARG  50          2HH1      ARG  50   6.570   2.807  -0.960
  679   1HH2  ARG  50          1HH2      ARG  50   6.105  -0.149   0.716
  680   2HH2  ARG  50          2HH2      ARG  50   7.295   1.038   0.120
  681    H    GLU  51           H        GLU  51   0.555  -0.364  -4.278
  682    HA   GLU  51           HA       GLU  51   2.233  -2.625  -5.120
  683   2HB   GLU  51          2HB       GLU  51  -0.790  -2.551  -4.740
  684   2HG   GLU  51          2HG       GLU  51  -0.295  -4.873  -3.792
  685    H    MET  52           H        MET  52  -0.095  -0.483  -6.716
  686    HA   MET  52           HA       MET  52  -0.220  -2.237  -9.095
  687   2HB   MET  52          2HB       MET  52  -2.255  -1.116  -7.990
  688   2HG   MET  52          2HG       MET  52  -1.498   1.143  -9.884
  689   1HE   MET  52          1HE       MET  52  -2.640   3.491  -8.226
  690   2HE   MET  52          2HE       MET  52  -2.939   3.310  -9.967
  691   3HE   MET  52          3HE       MET  52  -4.293   3.643  -8.866
  692    H    LEU  53           H        LEU  53   1.237   0.871  -8.203
  693    HA   LEU  53           HA       LEU  53   1.943   1.666 -10.894
  694   2HB   LEU  53          2HB       LEU  53   3.746   2.957  -9.551
  695    HG   LEU  53           HG       LEU  53   1.263   3.711 -10.352
  696   1HD1  LEU  53          1HD1      LEU  53   1.217   3.822  -7.328
  697   2HD1  LEU  53          2HD1      LEU  53   0.276   4.940  -8.283
  698   3HD1  LEU  53          3HD1      LEU  53  -0.017   3.203  -8.436
  699   1HD2  LEU  53          1HD2      LEU  53   3.368   5.062 -10.242
  700   2HD2  LEU  53          2HD2      LEU  53   1.953   5.980  -9.780
  701   3HD2  LEU  53          3HD2      LEU  53   3.034   5.358  -8.517
  702    HN2  GLY  54           HN2      GLY  54   4.131   0.410  -8.330
  703   1HA   GLY  54          1HA       GLY  54   5.068  -1.797  -9.881
  704   2HA   GLY  54          2HA       GLY  54   6.145  -0.446 -10.206
  705    H    ILE  55           H        ILE  55   5.174  -0.286  -6.907
  706    HA   ILE  55           HA       ILE  55   7.886  -0.994  -6.116
  707    HB   ILE  55           HB       ILE  55   5.551   0.279  -4.725
  708   2HG1  ILE  55          2HG1      ILE  55   7.198   1.453  -6.364
  709   1HG2  ILE  55          1HG2      ILE  55   8.112  -0.720  -3.432
  710   2HG2  ILE  55          2HG2      ILE  55   7.078   0.535  -2.723
  711   3HG2  ILE  55          3HG2      ILE  55   6.431  -1.078  -2.980
  712   1HD1  ILE  55          1HD1      ILE  55   6.999   2.598  -3.562
  713   2HD1  ILE  55          2HD1      ILE  55   7.314   3.482  -5.068
  714   3HD1  ILE  55          3HD1      ILE  55   5.736   2.703  -4.820
  715    HA   PRO  56           HA       PRO  56   6.937  -5.269  -4.776
  716   2HB   PRO  56          2HB       PRO  56   9.017  -6.102  -4.072
  717   2HG   PRO  56          2HG       PRO  56   9.513  -5.042  -6.150
  718   2HD   PRO  56          2HD       PRO  56   8.974  -2.792  -6.514
  719    H    SER  57           H        SER  57   8.488  -3.386  -2.213
  720    HA   SER  57           HA       SER  57   6.680  -1.974  -0.919
  721   2HB   SER  57          2HB       SER  57   6.594  -3.318   1.240
  722    HG   SER  57           HG       SER  57   4.774  -2.714   0.412
  723    H    SER  58           H        SER  58   8.289  -0.679  -0.667
  724    HA   SER  58           HA       SER  58  10.846  -0.743  -0.692
  725   2HB   SER  58          2HB       SER  58  10.944   1.422   0.213
  726    HG   SER  58           HG       SER  58   9.364   2.325  -0.916
  727    H    ARG  59           H        ARG  59   9.716  -2.465   1.806
  728    HA   ARG  59           HA       ARG  59  11.873  -1.978   3.812
  729   2HB   ARG  59          2HB       ARG  59   9.736  -2.603   4.780
  730   2HG   ARG  59          2HG       ARG  59   9.875  -5.103   3.033
  731   2HD   ARG  59          2HD       ARG  59   8.278  -4.512   5.550
  732    HE   ARG  59           HE       ARG  59   7.615  -6.365   3.326
  733   1HH1  ARG  59          1HH1      ARG  59   6.854  -5.492   6.647
  734   2HH1  ARG  59          2HH1      ARG  59   5.273  -6.223   6.530
  735   1HH2  ARG  59          1HH2      ARG  59   5.646  -7.384   3.350
  736   2HH2  ARG  59          2HH2      ARG  59   4.688  -7.348   4.808
  737    H    GLU  60           H        GLU  60  11.249  -3.682   0.928
  738    HA   GLU  60           HA       GLU  60  13.753  -5.250   1.284
  739   2HB   GLU  60          2HB       GLU  60  12.024  -6.824   1.174
  740   2HG   GLU  60          2HG       GLU  60  10.875  -5.097  -1.011
  741    H    ARG  61           H        ARG  61  12.440  -2.727  -0.565
  742    HA   ARG  61           HA       ARG  61  14.233  -2.971  -2.868
  743   2HB   ARG  61          2HB       ARG  61  13.800  -0.565  -3.208
  744   2HG   ARG  61          2HG       ARG  61  11.227  -2.026  -2.485
  745   2HD   ARG  61          2HD       ARG  61  11.203   0.502  -3.063
  746    HE   ARG  61           HE       ARG  61  12.517  -0.500  -5.493
  747   1HH1  ARG  61          1HH1      ARG  61  10.473   2.169  -4.381
  748   2HH1  ARG  61          2HH1      ARG  61  10.927   3.095  -5.821
  749   1HH2  ARG  61          1HH2      ARG  61  12.968   0.858  -7.222
  750   2HH2  ARG  61          2HH2      ARG  61  12.180   2.442  -7.227
  751    H    ARG  62           H        ARG  62  14.429  -1.128   0.173
  752    HA   ARG  62           HA       ARG  62  16.954   0.133  -0.431
  753   2HB   ARG  62          2HB       ARG  62  15.123  -0.103   1.971
  754   2HG   ARG  62          2HG       ARG  62  16.806   2.213   2.192
  755   2HD   ARG  62          2HD       ARG  62  16.616  -0.314   3.863
  756    HE   ARG  62           HE       ARG  62  17.963   2.244   4.358
  757   1HH1  ARG  62          1HH1      ARG  62  16.344  -0.330   6.096
  758   2HH1  ARG  62          2HH1      ARG  62  17.144   0.078   7.597
  759   1HH2  ARG  62          1HH2      ARG  62  18.942   2.681   6.237
  760   2HH2  ARG  62          2HH2      ARG  62  18.583   1.751   7.670
  761    H    ILE  63           H        ILE  63  16.115  -2.329   1.948
  762    HA   ILE  63           HA       ILE  63  18.572  -2.445   3.243
  763    HB   ILE  63           HB       ILE  63  16.331  -3.267   4.054
  764   2HG1  ILE  63          2HG1      ILE  63  18.722  -5.084   4.549
  765   1HG2  ILE  63          1HG2      ILE  63  15.848  -4.757   2.095
  766   2HG2  ILE  63          2HG2      ILE  63  17.079  -5.886   2.694
  767   3HG2  ILE  63          3HG2      ILE  63  15.638  -5.538   3.667
  768   1HD1  ILE  63          1HD1      ILE  63  18.850  -3.808   6.692
  769   2HD1  ILE  63          2HD1      ILE  63  19.163  -2.766   5.301
  770   3HD1  ILE  63          3HD1      ILE  63  17.578  -2.714   6.110
  Start of MODEL    7
    1   1H5*    T  64          1H5*        T  64  10.309  -2.739  19.400
    2   2H5*    T  64          2H5*        T  64   9.799  -1.131  18.880
    3    H4*    T  64           H4*        T  64  11.115  -2.138  17.162
    4    H3*    T  64           H3*        T  64   8.204  -1.946  16.396
    5   1H2*    T  64          1H2*        T  64   8.760  -2.812  14.307
    6   2H2*    T  64          2H2*        T  64  10.501  -2.433  14.500
    7    H1*    T  64           H1*        T  64  10.691  -4.597  15.106
    8    H3     T  64           H3         T  64   7.531  -7.449  13.694
    9   1H5M    T  64          1H5M        T  64   4.685  -6.177  17.226
   10   2H5M    T  64          2H5M        T  64   5.954  -6.572  18.407
   11   3H5M    T  64          3H5M        T  64   5.580  -4.873  18.024
   12    H6     T  64           H6         T  64   7.802  -4.259  17.287
   13    H5T    T  64           H5T        T  64   8.081  -2.294  19.891
   14   1H5*    T  65          1H5*        T  65  10.555  -0.560  13.216
   15   2H5*    T  65          2H5*        T  65   9.979   0.902  12.408
   16    H4*    T  65           H4*        T  65  10.202  -1.094  10.872
   17    H3*    T  65           H3*        T  65   7.667   0.398  11.259
   18   1H2*    T  65          1H2*        T  65   6.288  -1.223  10.715
   19   2H2*    T  65          2H2*        T  65   7.220  -1.679   9.265
   20    H1*    T  65           H1*        T  65   8.360  -3.291  10.281
   21    H3     T  65           H3         T  65   4.967  -6.077  11.447
   22   1H5M    T  65          1H5M        T  65   4.267  -2.272  14.838
   23   2H5M    T  65          2H5M        T  65   4.406  -3.885  15.568
   24   3H5M    T  65          3H5M        T  65   5.794  -2.782  15.592
   25    H6     T  65           H6         T  65   6.755  -2.037  13.385
   26   1H5*    T  66          1H5*        T  66   8.673  -1.330   7.178
   27   2H5*    T  66          2H5*        T  66   8.393  -0.201   5.843
   28    H4*    T  66           H4*        T  66   7.569  -2.385   5.190
   29    H3*    T  66           H3*        T  66   5.925  -0.080   5.183
   30   1H2*    T  66          1H2*        T  66   4.537  -0.782   6.875
   31   2H2*    T  66          2H2*        T  66   3.685  -1.629   5.569
   32    H1*    T  66           H1*        T  66   4.913  -3.655   5.913
   33    H3     T  66           H3         T  66   2.380  -5.607   9.112
   34   1H5M    T  66          1H5M        T  66   4.200  -1.703  11.860
   35   2H5M    T  66          2H5M        T  66   3.397  -0.581  10.740
   36   3H5M    T  66          3H5M        T  66   2.431  -1.701  11.717
   37    H6     T  66           H6         T  66   4.745  -1.410   8.915
   38   1H5*    T  67          1H5*        T  67   4.713  -4.047   3.428
   39   2H5*    T  67          2H5*        T  67   4.252  -3.797   1.738
   40    H4*    T  67           H4*        T  67   3.113  -5.754   2.633
   41    H3*    T  67           H3*        T  67   1.839  -3.627   1.336
   42   1H2*    T  67          1H2*        T  67   0.776  -2.845   3.329
   43   2H2*    T  67          2H2*        T  67  -0.479  -4.002   2.789
   44    H1*    T  67           H1*        T  67   0.552  -5.802   4.058
   45    H3     T  67           H3         T  67  -1.639  -5.237   7.974
   46   1H5M    T  67          1H5M        T  67   0.952  -1.462   9.018
   47   2H5M    T  67          2H5M        T  67   1.973  -1.244   7.588
   48   3H5M    T  67          3H5M        T  67   0.324  -0.583   7.616
   49    H6     T  67           H6         T  67   1.581  -2.548   5.598
   50   1H5*    G  68          1H5*        G  68   0.143  -8.173   1.015
   51   2H5*    G  68          2H5*        G  68  -0.498  -8.334  -0.627
   52    H4*    G  68           H4*        G  68  -1.570  -9.889   0.917
   53    H3*    G  68           H3*        G  68  -3.032  -8.335  -0.856
   54    H1*    G  68           H1*        G  68  -4.112  -8.746   2.853
   55    H8     G  68           H8         G  68  -2.332  -5.342   2.112
   56    H1     G  68           H1         G  68  -5.586  -5.694   7.677
   57   1H2     G  68          1H2         G  68  -6.849  -7.584   7.590
   58   2H2     G  68          2H2         G  68  -6.497  -8.799   6.372
   59   1H2*    G  68          1H2*        G  68  -3.732  -6.705   0.653
   60   2H2*    G  68          2H2*        G  68  -5.072  -7.858   0.911
   61   1H5*    G  69          1H5*        G  69  -5.623 -11.158   1.922
   62   2H5*    G  69          2H5*        G  69  -6.523 -12.212   0.825
   63    H4*    G  69           H4*        G  69  -7.819 -11.824   2.821
   64    H3*    G  69           H3*        G  69  -8.860 -11.369   0.247
   65    H1*    G  69           H1*        G  69  -9.621  -9.346   3.357
   66    H8     G  69           H8         G  69  -7.628  -7.141   0.820
   67    H1     G  69           H1         G  69  -9.560  -4.193   6.235
   68   1H2     G  69          1H2         G  69 -10.622  -5.645   7.515
   69   2H2     G  69          2H2         G  69 -10.790  -7.311   6.982
   70   1H2*    G  69          1H2*        G  69  -8.839  -9.036   0.423
   71   2H2*    G  69          2H2*        G  69 -10.462  -9.332   1.107
   72   1H5*    C  70          1H5*        C  70 -11.830 -11.211   3.961
   73   2H5*    C  70          2H5*        C  70 -13.321 -12.059   3.538
   74    H4*    C  70           H4*        C  70 -13.812 -10.190   4.986
   75    H3*    C  70           H3*        C  70 -15.052 -10.447   2.407
   76    H1*    C  70           H1*        C  70 -14.265  -7.448   4.507
   77   1H4     C  70          1H4         C  70 -11.226  -2.366   2.437
   78   2H4     C  70          2H4         C  70 -10.397  -3.239   1.143
   79    H5     C  70           H5         C  70 -10.618  -5.614   0.874
   80    H6     C  70           H6         C  70 -11.865  -7.613   1.635
   81   1H2*    C  70          1H2*        C  70 -14.181  -8.430   1.620
   82   2H2*    C  70          2H2*        C  70 -15.577  -7.739   2.504
   83   1H5*    A  71          1H5*        A  71 -17.302  -7.700   5.707
   84   2H5*    A  71          2H5*        A  71 -19.052  -7.849   5.484
   85    H4*    A  71           H4*        A  71 -18.383  -5.520   5.938
   86    H3*    A  71           H3*        A  71 -19.483  -6.092   3.184
   87    H1*    A  71           H1*        A  71 -17.093  -3.350   4.614
   88    H8     A  71           H8         A  71 -16.512  -5.815   1.711
   89   1H6     A  71          1H6         A  71 -12.989  -1.038  -0.413
   90   2H6     A  71          2H6         A  71 -13.355  -2.731  -0.780
   91    H2     A  71           H2         A  71 -15.278   0.409   2.857
   92   1H2*    A  71          1H2*        A  71 -18.978  -3.971   2.470
   93   2H2*    A  71          2H2*        A  71 -19.237  -3.252   4.084
   94   1H5*    C  72          1H5*        C  72 -21.027  -2.748   5.956
   95   2H5*    C  72          2H5*        C  72 -22.734  -2.328   5.744
   96    H4*    C  72           H4*        C  72 -21.290  -0.320   5.940
   97    H3*    C  72           H3*        C  72 -22.798  -0.824   3.413
   98    H1*    C  72           H1*        C  72 -19.594   1.168   4.273
   99   1H4     C  72          1H4         C  72 -16.036   0.533  -1.013
  100   2H4     C  72          2H4         C  72 -16.826  -0.929  -1.358
  101    H5     C  72           H5         C  72 -18.502  -1.996  -0.020
  102    H6     C  72           H6         C  72 -19.911  -1.711   1.984
  103   1H2*    C  72          1H2*        C  72 -21.557   0.467   2.151
  104   2H2*    C  72          2H2*        C  72 -21.520   1.801   3.342
  105   1H5*    G  73          1H5*        G  73 -22.383   3.259   4.982
  106   2H5*    G  73          2H5*        G  73 -23.901   4.155   5.177
  107    H4*    G  73           H4*        G  73 -22.166   5.703   4.606
  108    H3*    G  73           H3*        G  73 -24.412   5.398   2.886
  109    H1*    G  73           H1*        G  73 -20.683   5.897   1.615
  110    H8     G  73           H8         G  73 -22.758   2.727   1.439
  111    H1     G  73           H1         G  73 -17.575   2.765  -2.462
  112   1H2     G  73          1H2         G  73 -16.731   4.838  -2.412
  113   2H2     G  73          2H2         G  73 -17.233   5.932  -1.127
  114   1H2*    G  73          1H2*        G  73 -23.438   4.790   1.041
  115   2H2*    G  73          2H2*        G  73 -22.819   6.419   0.862
  116   1H5*    T  74          1H5*        T  74 -21.294   8.513   2.321
  117   2H5*    T  74          2H5*        T  74 -21.779  10.215   2.146
  118    H4*    T  74           H4*        T  74 -19.750   9.836   0.875
  119    H3*    T  74           H3*        T  74 -22.142   9.885  -0.993
  120   1H2*    T  74          1H2*        T  74 -20.554   9.601  -2.764
  121   2H2*    T  74          2H2*        T  74 -19.201  10.114  -1.722
  122    H1*    T  74           H1*        T  74 -18.844   7.970  -1.284
  123    H3     T  74           H3         T  74 -19.974   4.972  -4.462
  124   1H5M    T  74          1H5M        T  74 -24.225   5.900  -1.189
  125   2H5M    T  74          2H5M        T  74 -24.402   5.023  -2.718
  126   3H5M    T  74          3H5M        T  74 -23.685   4.206  -1.318
  127    H6     T  74           H6         T  74 -22.262   7.296  -0.925
  128   1H5*    T  75          1H5*        T  75 -18.807  12.072  -2.529
  129   2H5*    T  75          2H5*        T  75 -19.236  13.658  -3.159
  130    H4*    T  75           H4*        T  75 -17.866  12.394  -4.753
  131    H3*    T  75           H3*        T  75 -20.414  13.588  -5.316
  132   1H2*    T  75          1H2*        T  75 -21.482  11.898  -6.180
  133   2H2*    T  75          2H2*        T  75 -20.415  11.990  -7.594
  134    H1*    T  75           H1*        T  75 -19.079  10.322  -6.903
  135    H3     T  75           H3         T  75 -21.346   6.402  -7.108
  136   1H5M    T  75          1H5M        T  75 -24.146   7.773  -3.580
  137   2H5M    T  75          2H5M        T  75 -23.354   9.258  -3.018
  138   3H5M    T  75          3H5M        T  75 -24.533   9.326  -4.348
  139    H6     T  75           H6         T  75 -21.708  10.477  -4.570
  140   1H5*    T  76          1H5*        T  76 -17.480  12.567  -8.862
  141   2H5*    T  76          2H5*        T  76 -17.431  13.842 -10.088
  142    H4*    T  76           H4*        T  76 -17.462  11.630 -11.150
  143    H3*    T  76           H3*        T  76 -19.722  13.515 -11.558
  144   1H2*    T  76          1H2*        T  76 -21.299  11.946 -11.875
  145   2H2*    T  76          2H2*        T  76 -20.288  11.108 -13.075
  146    H1*    T  76           H1*        T  76 -19.477   9.600 -11.675
  147    H3     T  76           H3         T  76 -22.862   7.100  -9.893
  148   1H5M    T  76          1H5M        T  76 -23.416  10.766  -6.810
  149   2H5M    T  76          2H5M        T  76 -23.148  12.144  -7.879
  150   3H5M    T  76          3H5M        T  76 -24.649  11.192  -8.026
  151    H6     T  76           H6         T  76 -21.572  11.725  -9.474
  152   1H5*    C  77          1H5*        C  77 -18.353  10.886 -15.130
  153   2H5*    C  77          2H5*        C  77 -18.672  11.636 -16.698
  154    H4*    C  77           H4*        C  77 -19.528   9.403 -16.793
  155    H3*    C  77           H3*        C  77 -21.852  11.286 -16.342
  156    H1*    C  77           H1*        C  77 -21.371   7.528 -15.484
  157   1H4     C  77          1H4         C  77 -25.985   8.441 -11.260
  158   2H4     C  77          2H4         C  77 -25.666  10.177 -11.126
  159    H5     C  77           H5         C  77 -23.914  11.252 -12.424
  160    H6     C  77           H6         C  77 -22.149  10.814 -14.170
  161    H3T    C  77           H3T        C  77 -20.732  11.595 -18.339
  162   1H2*    C  77          1H2*        C  77 -23.221   9.389 -16.602
  163   2H2*    C  77          2H2*        C  77 -21.957   8.475 -17.473
  164   1H5*    G  78          1H5*        G  78 -33.557   1.204 -12.493
  165   2H5*    G  78          2H5*        G  78 -33.080  -0.347 -11.781
  166    H4*    G  78           H4*        G  78 -31.785  -0.042 -13.756
  167    H3*    G  78           H3*        G  78 -30.199   0.409 -11.223
  168    H1*    G  78           H1*        G  78 -29.567   2.313 -14.596
  169    H8     G  78           H8         G  78 -30.914   3.145 -11.182
  170    H1     G  78           H1         G  78 -25.607   6.440 -12.819
  171   1H2     G  78          1H2         G  78 -24.640   5.379 -14.516
  172   2H2     G  78          2H2         G  78 -25.463   4.026 -15.298
  173   1H2*    G  78          1H2*        G  78 -28.357   1.078 -12.421
  174   2H2*    G  78          2H2*        G  78 -28.882   0.247 -13.927
  175    H5T    G  78           H5T        G  78 -33.306   1.307 -10.192
  176   1H5*    A  79          1H5*        A  79 -27.624  -1.607 -13.893
  177   2H5*    A  79          2H5*        A  79 -26.737  -2.935 -13.141
  178    H4*    A  79           H4*        A  79 -25.216  -1.221 -14.158
  179    H3*    A  79           H3*        A  79 -25.121  -1.760 -11.211
  180    H1*    A  79           H1*        A  79 -24.258   1.509 -13.267
  181    H8     A  79           H8         A  79 -26.961   0.945 -10.635
  182   1H6     A  79          1H6         A  79 -24.948   6.497  -8.441
  183   2H6     A  79          2H6         A  79 -26.242   5.311  -8.225
  184    H2     A  79           H2         A  79 -22.134   5.192 -11.370
  185   1H2*    A  79          1H2*        A  79 -23.702   0.009 -10.862
  186   2H2*    A  79          2H2*        A  79 -22.973  -0.125 -12.488
  187   1H5*    A  80          1H5*        A  80 -21.568  -1.522 -13.983
  188   2H5*    A  80          2H5*        A  80 -20.193  -2.592 -13.657
  189    H4*    A  80           H4*        A  80 -19.497  -0.174 -14.085
  190    H3*    A  80           H3*        A  80 -18.905  -1.414 -11.372
  191    H1*    A  80           H1*        A  80 -19.585   2.292 -12.277
  192    H8     A  80           H8         A  80 -21.404  -0.368 -10.195
  193   1H6     A  80          1H6         A  80 -22.846   4.544  -6.535
  194   2H6     A  80          2H6         A  80 -23.182   2.826  -6.756
  195    H2     A  80           H2         A  80 -19.929   5.854  -9.399
  196   1H2*    A  80          1H2*        A  80 -18.148   0.606 -10.665
  197   2H2*    A  80          2H2*        A  80 -17.741   1.180 -12.303
  198   1H5*    A  81          1H5*        A  81 -15.613   0.966 -13.027
  199   2H5*    A  81          2H5*        A  81 -14.009   0.304 -12.682
  200    H4*    A  81           H4*        A  81 -14.280   2.666 -11.825
  201    H3*    A  81           H3*        A  81 -13.665   0.355 -10.048
  202    H1*    A  81           H1*        A  81 -15.518   3.742  -9.340
  203    H8     A  81           H8         A  81 -16.915   0.157  -9.115
  204   1H6     A  81          1H6         A  81 -20.785   2.678  -4.837
  205   2H6     A  81          2H6         A  81 -20.302   1.122  -5.522
  206    H2     A  81           H2         A  81 -18.318   5.816  -6.410
  207   1H2*    A  81          1H2*        A  81 -14.489   1.237  -8.189
  208   2H2*    A  81          2H2*        A  81 -13.721   2.816  -8.501
  209   1H5*    C  82          1H5*        C  82 -11.806   4.532  -9.381
  210   2H5*    C  82          2H5*        C  82 -10.163   4.542  -8.726
  211    H4*    C  82           H4*        C  82 -11.597   6.151  -7.535
  212    H3*    C  82           H3*        C  82 -10.416   3.835  -6.110
  213    H1*    C  82           H1*        C  82 -13.716   5.857  -5.442
  214   1H4     C  82          1H4         C  82 -17.922   1.567  -3.533
  215   2H4     C  82          2H4         C  82 -16.942   0.339  -4.231
  216    H5     C  82           H5         C  82 -15.013   0.748  -5.650
  217    H6     C  82           H6         C  82 -13.420   2.389  -6.364
  218   1H2*    C  82          1H2*        C  82 -11.956   3.643  -4.555
  219   2H2*    C  82          2H2*        C  82 -11.896   5.385  -4.151
  220   1H5*    G  83          1H5*        G  83  -9.892   8.165  -3.621
  221   2H5*    G  83          2H5*        G  83  -8.421   7.894  -2.686
  222    H4*    G  83           H4*        G  83 -10.163   9.039  -1.470
  223    H3*    G  83           H3*        G  83  -8.620   7.532  -0.160
  224    H1*    G  83           H1*        G  83 -12.393   6.636   0.177
  225    H8     G  83           H8         G  83 -10.298   4.264  -2.088
  226    H1     G  83           H1         G  83 -15.931   1.833  -0.129
  227   1H2     G  83          1H2         G  83 -16.730   3.196   1.488
  228   2H2     G  83          2H2         G  83 -15.976   4.758   1.769
  229   1H2*    G  83          1H2*        G  83  -9.691   5.454  -0.422
  230   2H2*    G  83          2H2*        G  83 -10.399   5.931   1.135
  231   1H5*    T  84          1H5*        T  84 -12.358   7.854   2.872
  232   2H5*    T  84          2H5*        T  84 -11.618   8.559   4.326
  233    H4*    T  84           H4*        T  84 -12.871   6.656   5.060
  234    H3*    T  84           H3*        T  84 -10.036   6.747   5.446
  235   1H2*    T  84          1H2*        T  84  -9.598   5.014   3.952
  236   2H2*    T  84          2H2*        T  84  -9.902   4.015   5.408
  237    H1*    T  84           H1*        T  84 -12.230   3.791   4.878
  238    H3     T  84           H3         T  84 -13.315   0.794   1.652
  239   1H5M    T  84          1H5M        T  84  -8.879   3.111  -0.050
  240   2H5M    T  84          2H5M        T  84  -8.345   1.616   0.769
  241   3H5M    T  84          3H5M        T  84  -9.388   1.538  -0.666
  242    H6     T  84           H6         T  84  -9.574   3.772   2.236
  243   1H5*    G  85          1H5*        G  85 -12.936   5.197   9.267
  244   2H5*    G  85          2H5*        G  85 -11.814   5.320  10.634
  245    H4*    G  85           H4*        G  85 -13.226   3.400  11.056
  246    H3*    G  85           H3*        G  85 -10.425   2.771  10.172
  247    H1*    G  85           H1*        G  85 -13.579   0.616   9.274
  248    H8     G  85           H8         G  85 -10.769   2.613   7.535
  249    H1     G  85           H1         G  85 -12.744  -2.676   4.426
  250   1H2     G  85          1H2         G  85 -14.161  -3.780   5.782
  251   2H2     G  85          2H2         G  85 -14.616  -3.089   7.342
  252   1H2*    G  85          1H2*        G  85 -10.808   0.599   9.789
  253   2H2*    G  85          2H2*        G  85 -12.133   0.480  10.996
  254   1H5*    C  86          1H5*        C  86 -12.012   0.188  13.339
  255   2H5*    C  86          2H5*        C  86 -10.885  -0.037  14.680
  256    H4*    C  86           H4*        C  86 -11.975  -2.142  14.043
  257    H3*    C  86           H3*        C  86  -9.096  -1.773  14.134
  258    H1*    C  86           H1*        C  86 -11.161  -4.097  11.639
  259   1H4     C  86          1H4         C  86  -9.347  -2.424   5.737
  260   2H4     C  86          2H4         C  86  -8.762  -0.923   6.373
  261    H5     C  86           H5         C  86  -8.683  -0.312   8.611
  262    H6     C  86           H6         C  86  -9.232  -1.008  10.902
  263   1H2*    C  86          1H2*        C  86  -8.517  -2.847  12.255
  264   2H2*    C  86          2H2*        C  86  -9.265  -4.331  12.866
  265   1H5*    C  87          1H5*        C  87 -10.764  -6.049  14.850
  266   2H5*    C  87          2H5*        C  87  -9.807  -7.016  15.984
  267    H4*    C  87           H4*        C  87 -10.316  -8.296  13.958
  268    H3*    C  87           H3*        C  87  -7.407  -7.512  14.295
  269    H1*    C  87           H1*        C  87  -9.483  -8.218  11.058
  270   1H4     C  87          1H4         C  87  -6.660  -3.912   7.531
  271   2H4     C  87          2H4         C  87  -6.010  -3.085   8.924
  272    H5     C  87           H5         C  87  -6.190  -3.887  11.098
  273    H6     C  87           H6         C  87  -7.180  -5.653  12.556
  274   1H2*    C  87          1H2*        C  87  -6.918  -8.576  12.246
  275   2H2*    C  87          2H2*        C  87  -8.357  -9.620  12.347
  276   1H5*    A  88          1H5*        A  88  -7.897 -11.544  13.221
  277   2H5*    A  88          2H5*        A  88  -6.948 -12.732  14.102
  278    H4*    A  88           H4*        A  88  -6.786 -12.866  11.606
  279    H3*    A  88           H3*        A  88  -4.747 -13.261  13.465
  280    H1*    A  88           H1*        A  88  -4.215 -11.166  10.172
  281    H8     A  88           H8         A  88  -4.635  -9.128  13.485
  282   1H6     A  88          1H6         A  88  -2.297  -4.417  10.093
  283   2H6     A  88          2H6         A  88  -2.970  -4.818  11.673
  284    H2     A  88           H2         A  88  -2.417  -7.874   7.538
  285   1H2*    A  88          1H2*        A  88  -3.590 -11.294  13.127
  286   2H2*    A  88          2H2*        A  88  -2.849 -12.185  11.776
  287   1H5*    A  89          1H5*        A  89  -3.951 -13.770   9.035
  288   2H5*    A  89          2H5*        A  89  -3.196 -15.319   8.630
  289    H4*    A  89           H4*        A  89  -2.399 -13.567   7.142
  290    H3*    A  89           H3*        A  89  -0.662 -15.211   8.703
  291    H1*    A  89           H1*        A  89  -0.184 -11.595   7.593
  292    H8     A  89           H8         A  89  -0.568 -11.888  11.479
  293   1H6     A  89          1H6         A  89   0.993  -5.811  11.290
  294   2H6     A  89          2H6         A  89   0.532  -7.103  12.404
  295    H2     A  89           H2         A  89   0.901  -7.272   7.237
  296   1H2*    A  89          1H2*        A  89   0.257 -13.490   9.931
  297   2H2*    A  89          2H2*        A  89   1.276 -13.251   8.478
  298   1H5*    A  90          1H5*        A  90   1.448 -12.905   5.157
  299   2H5*    A  90          2H5*        A  90   2.444 -14.077   4.283
  300    H4*    A  90           H4*        A  90   3.655 -12.013   4.425
  301    H3*    A  90           H3*        A  90   4.701 -14.431   5.594
  302    H1*    A  90           H1*        A  90   5.196 -10.760   6.640
  303    H8     A  90           H8         A  90   3.371 -12.936   9.331
  304   1H6     A  90          1H6         A  90   3.510  -7.585  12.625
  305   2H6     A  90          2H6         A  90   2.923  -9.249  12.694
  306    H2     A  90           H2         A  90   5.598  -6.896   8.936
  307   1H2*    A  90          1H2*        A  90   4.912 -13.595   7.716
  308   2H2*    A  90          2H2*        A  90   6.372 -12.787   7.084
  309   1H5*    A  91          1H5*        A  91   7.814 -11.085   3.984
  310   2H5*    A  91          2H5*        A  91   9.361 -11.854   3.598
  311    H4*    A  91           H4*        A  91   9.772  -9.777   4.789
  312    H3*    A  91           H3*        A  91  10.258 -12.252   6.493
  313    H1*    A  91           H1*        A  91   9.284  -8.625   7.460
  314    H8     A  91           H8         A  91   8.270 -12.236   8.332
  315   1H6     A  91          1H6         A  91   6.218  -9.437  13.617
  316   2H6     A  91          2H6         A  91   6.282 -11.027  12.853
  317    H2     A  91           H2         A  91   8.111  -6.478  11.186
  318    H3T    A  91           H3T        A  91  12.456 -11.678   5.999
  319   1H2*    A  91          1H2*        A  91  10.907 -10.861   8.252
  320   2H2*    A  91          2H2*        A  91  11.339  -9.509   7.159
  321   1H    HIS   1          1H        HIS   1 -15.672   8.924  -2.975
  322   2H    HIS   1          2H        HIS   1 -15.009   9.225  -1.505
  323   3H    HIS   1          3H        HIS   1 -14.797   7.758  -2.216
  324    HA   HIS   1           HA       HIS   1 -12.808   9.087  -2.368
  325   2HB   HIS   1          2HB       HIS   1 -13.215   7.429  -4.082
  326    HD1  HIS   1           HD1      HIS   1 -15.821   7.034  -4.915
  327    HD2  HIS   1           HD2      HIS   1 -13.672  10.242  -6.640
  328    HE1  HIS   1           HE1      HIS   1 -17.172   7.807  -6.935
  329    H    MET   2           H        MET   2 -11.704  10.804  -3.406
  330    HA   MET   2           HA       MET   2 -13.301  13.301  -3.844
  331   2HB   MET   2          2HB       MET   2 -10.969  12.998  -1.904
  332   2HG   MET   2          2HG       MET   2 -12.883  15.313  -2.399
  333   1HE   MET   2          1HE       MET   2 -12.751  15.621   1.489
  334   2HE   MET   2          2HE       MET   2 -13.768  15.595   0.033
  335   3HE   MET   2          3HE       MET   2 -12.955  14.108   0.585
  336    H    LEU   3           H        LEU   3 -10.080  11.717  -4.129
  337    HA   LEU   3           HA       LEU   3  -8.925  13.860  -5.674
  338   2HB   LEU   3          2HB       LEU   3  -7.056  12.151  -5.910
  339    HG   LEU   3           HG       LEU   3  -7.959  12.292  -3.019
  340   1HD1  LEU   3          1HD1      LEU   3  -5.137  12.637  -4.060
  341   2HD1  LEU   3          2HD1      LEU   3  -5.720  12.000  -2.485
  342   3HD1  LEU   3          3HD1      LEU   3  -5.821  11.030  -3.971
  343   1HD2  LEU   3          1HD2      LEU   3  -6.671  14.422  -4.758
  344   2HD2  LEU   3          2HD2      LEU   3  -8.157  14.574  -3.793
  345   3HD2  LEU   3          3HD2      LEU   3  -6.611  14.448  -2.974
  346    H    THR   4           H        THR   4  -7.673  13.295  -7.604
  347    HA   THR   4           HA       THR   4  -9.533  12.786  -9.828
  348    HB   THR   4           HB       THR   4  -7.697  13.407 -11.301
  349    HG1  THR   4           HG1      THR   4  -5.739  14.080 -10.256
  350   1HG2  THR   4          1HG2      THR   4  -7.862  15.306  -8.948
  351   2HG2  THR   4          2HG2      THR   4  -7.290  15.690 -10.583
  352   3HG2  THR   4          3HG2      THR   4  -8.981  15.233 -10.319
  353    H    GLN   5           H        GLN   5  -8.102  11.638 -11.787
  354    HA   GLN   5           HA       GLN   5  -8.268   8.875 -11.550
  355   2HB   GLN   5          2HB       GLN   5  -8.123  10.155 -13.631
  356   2HG   GLN   5          2HG       GLN   5  -5.124  10.341 -13.105
  357   1HE2  GLN   5          1HE2      GLN   5  -7.402  12.160 -15.258
  358   2HE2  GLN   5          2HE2      GLN   5  -6.532  11.715 -16.724
  359    HN2  GLY   6           HN2      GLY   6  -5.588  10.893 -10.392
  360   1HA   GLY   6          1HA       GLY   6  -4.710   8.764  -8.721
  361   2HA   GLY   6          2HA       GLY   6  -3.605   8.914 -10.094
  362    H    GLU   7           H        GLU   7  -5.241  11.544  -8.058
  363    HA   GLU   7           HA       GLU   7  -2.913  13.129  -8.056
  364   2HB   GLU   7          2HB       GLU   7  -4.612  13.757  -5.829
  365   2HG   GLU   7          2HG       GLU   7  -4.544  14.965  -8.614
  366    H    LEU   8           H        LEU   8  -3.643  10.374  -6.185
  367    HA   LEU   8           HA       LEU   8  -1.318  10.962  -4.383
  368   2HB   LEU   8          2HB       LEU   8  -3.531  10.569  -3.322
  369    HG   LEU   8           HG       LEU   8  -3.838   8.360  -4.971
  370   1HD1  LEU   8          1HD1      LEU   8  -3.018   7.421  -2.168
  371   2HD1  LEU   8          2HD1      LEU   8  -3.633   6.371  -3.433
  372   3HD1  LEU   8          3HD1      LEU   8  -2.045   7.143  -3.631
  373   1HD2  LEU   8          1HD2      LEU   8  -5.833   8.898  -4.092
  374   2HD2  LEU   8          2HD2      LEU   8  -5.492   7.565  -2.996
  375   3HD2  LEU   8          3HD2      LEU   8  -5.183   9.230  -2.471
  376    H    MET   9           H        MET   9  -2.204   9.164  -7.129
  377    HA   MET   9           HA       MET   9  -0.628   6.736  -6.626
  378   2HB   MET   9          2HB       MET   9  -2.708   7.587  -8.500
  379   2HG   MET   9          2HG       MET   9  -0.335   6.142  -9.618
  380   1HE   MET   9          1HE       MET   9  -1.191   6.650 -12.697
  381   2HE   MET   9          2HE       MET   9  -0.423   5.128 -12.185
  382   3HE   MET   9          3HE       MET   9  -1.920   5.091 -13.137
  383    H    LYS  10           H        LYS  10  -0.455   9.412  -8.955
  384    HA   LYS  10           HA       LYS  10   2.162   8.528  -9.916
  385   2HB   LYS  10          2HB       LYS  10   0.448   9.381 -11.400
  386   2HG   LYS  10          2HG       LYS  10   0.904  12.229 -10.589
  387   2HD   LYS  10          2HD       LYS  10  -1.684  10.889 -11.469
  388   2HE   LYS  10          2HE       LYS  10  -0.626  13.746 -11.500
  389   1HZ   LYS  10          1HZ       LYS  10  -2.077  13.304 -13.396
  390   2HZ   LYS  10          2HZ       LYS  10  -2.825  14.289 -12.337
  391   3HZ   LYS  10          3HZ       LYS  10  -3.251  12.713 -12.419
  392    H    LEU  11           H        LEU  11   1.861   9.443  -7.123
  393    HA   LEU  11           HA       LEU  11   3.892  11.605  -6.803
  394   2HB   LEU  11          2HB       LEU  11   2.615  12.172  -4.695
  395    HG   LEU  11           HG       LEU  11   0.801  13.453  -5.542
  396   1HD1  LEU  11          1HD1      LEU  11   3.064  13.486  -7.575
  397   2HD1  LEU  11          2HD1      LEU  11   1.943  14.820  -7.211
  398   3HD1  LEU  11          3HD1      LEU  11   3.102  14.273  -5.978
  399   1HD2  LEU  11          1HD2      LEU  11   1.194  12.337  -8.302
  400   2HD2  LEU  11          2HD2      LEU  11   0.032  11.586  -7.197
  401   3HD2  LEU  11          3HD2      LEU  11  -0.166  13.282  -7.697
  402    H    ILE  12           H        ILE  12   2.315   8.672  -5.370
  403    HA   ILE  12           HA       ILE  12   4.095   8.589  -3.107
  404    HB   ILE  12           HB       ILE  12   3.484   6.143  -3.018
  405   2HG1  ILE  12          2HG1      ILE  12   2.700   6.324  -5.659
  406   1HG2  ILE  12          1HG2      ILE  12   1.372   8.310  -2.949
  407   2HG2  ILE  12          2HG2      ILE  12   1.068   6.655  -2.415
  408   3HG2  ILE  12          3HG2      ILE  12   2.310   7.646  -1.609
  409   1HD1  ILE  12          1HD1      ILE  12   1.406   4.213  -5.191
  410   2HD1  ILE  12          2HD1      ILE  12   3.007   4.219  -4.425
  411   3HD1  ILE  12          3HD1      ILE  12   1.541   4.536  -3.464
  412    H    LYS  13           H        LYS  13   4.432   7.350  -6.366
  413    HA   LYS  13           HA       LYS  13   6.999   5.951  -5.693
  414   2HB   LYS  13          2HB       LYS  13   5.512   4.838  -7.203
  415   2HG   LYS  13          2HG       LYS  13   4.572   7.013  -8.339
  416   2HD   LYS  13          2HD       LYS  13   6.828   6.260 -10.260
  417   2HE   LYS  13          2HE       LYS  13   4.558   8.293 -10.462
  418   1HZ   LYS  13          1HZ       LYS  13   6.586   8.980 -11.621
  419   2HZ   LYS  13          2HZ       LYS  13   6.654   7.558 -12.431
  420   3HZ   LYS  13          3HZ       LYS  13   5.424   8.597 -12.703
  421    H    GLU  14           H        GLU  14   6.124   9.024  -6.470
  422    HA   GLU  14           HA       GLU  14   8.491   9.722  -8.136
  423   2HB   GLU  14          2HB       GLU  14   6.048  11.430  -7.543
  424   2HG   GLU  14          2HG       GLU  14   7.874  12.637  -8.699
  425    H    ILE  15           H        ILE  15   7.279  10.057  -4.905
  426    HA   ILE  15           HA       ILE  15   9.477  11.960  -4.250
  427    HB   ILE  15           HB       ILE  15   8.452  12.337  -2.146
  428   2HG1  ILE  15          2HG1      ILE  15   6.758   9.982  -2.802
  429   1HG2  ILE  15          1HG2      ILE  15   6.499  13.595  -2.825
  430   2HG2  ILE  15          2HG2      ILE  15   7.748  13.709  -4.076
  431   3HG2  ILE  15          3HG2      ILE  15   6.344  12.646  -4.318
  432   1HD1  ILE  15          1HD1      ILE  15   7.324  11.460  -0.196
  433   2HD1  ILE  15          2HD1      ILE  15   6.607   9.846  -0.365
  434   3HD1  ILE  15          3HD1      ILE  15   8.301  10.118  -0.840
  435    H    VAL  16           H        VAL  16   8.042   8.724  -3.327
  436    HA   VAL  16           HA       VAL  16  10.100   8.247  -1.465
  437    HB   VAL  16           HB       VAL  16   8.415   6.171  -2.916
  438   1HG1  VAL  16          1HG1      VAL  16  10.299   5.047  -1.980
  439   2HG1  VAL  16          2HG1      VAL  16  10.291   6.082  -0.540
  440   3HG1  VAL  16          3HG1      VAL  16   9.016   4.850  -0.780
  441   1HG2  VAL  16          1HG2      VAL  16   7.081   7.799  -1.537
  442   2HG2  VAL  16          2HG2      VAL  16   7.081   6.173  -0.852
  443   3HG2  VAL  16          3HG2      VAL  16   8.103   7.446  -0.150
  444    H    GLU  17           H        GLU  17  10.035   7.650  -4.952
  445    HA   GLU  17           HA       GLU  17  12.627   6.145  -4.765
  446   2HB   GLU  17          2HB       GLU  17  12.564   5.896  -7.164
  447   2HG   GLU  17          2HG       GLU  17   9.823   5.170  -6.073
  448    H    ASN  18           H        ASN  18  11.922   9.299  -4.404
  449    HA   ASN  18           HA       ASN  18  14.355  10.253  -5.776
  450   2HB   ASN  18          2HB       ASN  18  12.126  12.102  -4.952
  451   1HD2  ASN  18          1HD2      ASN  18  13.561  10.803  -7.949
  452   2HD2  ASN  18          2HD2      ASN  18  14.259  12.335  -8.467
  453    H    GLU  19           H        GLU  19  13.085   9.619  -2.668
  454    HA   GLU  19           HA       GLU  19  14.609  11.836  -1.386
  455   2HB   GLU  19          2HB       GLU  19  13.324  11.040   0.678
  456   2HG   GLU  19          2HG       GLU  19  11.007  11.690  -0.145
  457    H    ASP  20           H        ASP  20  14.017   8.595  -0.085
  458    HA   ASP  20           HA       ASP  20  16.944   8.201   0.263
  459   2HB   ASP  20          2HB       ASP  20  16.456   7.531   2.653
  460    H    LYS  21           H        LYS  21  16.670   6.672  -1.379
  461    HA   LYS  21           HA       LYS  21  15.198   4.211  -1.163
  462   2HB   LYS  21          2HB       LYS  21  16.969   3.299  -2.667
  463   2HG   LYS  21          2HG       LYS  21  16.031   6.086  -3.474
  464   2HD   LYS  21          2HD       LYS  21  16.766   3.638  -5.142
  465   2HE   LYS  21          2HE       LYS  21  15.902   6.464  -5.900
  466   1HZ   LYS  21          1HZ       LYS  21  16.041   5.605  -8.158
  467   2HZ   LYS  21          2HZ       LYS  21  17.512   5.519  -7.455
  468   3HZ   LYS  21          3HZ       LYS  21  16.613   4.165  -7.639
  469    H    ARG  22           H        ARG  22  18.016   5.251   0.488
  470    HA   ARG  22           HA       ARG  22  18.717   2.672   1.745
  471   2HB   ARG  22          2HB       ARG  22  20.516   4.222   1.333
  472   2HG   ARG  22          2HG       ARG  22  20.484   6.243   3.167
  473   2HD   ARG  22          2HD       ARG  22  19.545   6.371   0.275
  474    HE   ARG  22           HE       ARG  22  19.097   8.472   1.908
  475   1HH1  ARG  22          1HH1      ARG  22  21.745   8.155  -0.386
  476   2HH1  ARG  22          2HH1      ARG  22  21.823   9.889  -0.593
  477   1HH2  ARG  22          1HH2      ARG  22  19.202  10.474   1.576
  478   2HH2  ARG  22          2HH2      ARG  22  20.406  11.225   0.519
  479    H    LYS  23           H        LYS  23  16.362   5.038   2.436
  480    HA   LYS  23           HA       LYS  23  15.646   3.788   5.032
  481   2HB   LYS  23          2HB       LYS  23  15.433   5.980   6.157
  482   2HG   LYS  23          2HG       LYS  23  18.310   5.505   5.266
  483   2HD   LYS  23          2HD       LYS  23  18.829   6.367   7.547
  484   2HE   LYS  23          2HE       LYS  23  17.311   8.337   5.774
  485   1HZ   LYS  23          1HZ       LYS  23  19.493   8.802   7.731
  486   2HZ   LYS  23          2HZ       LYS  23  17.930   9.239   7.947
  487   3HZ   LYS  23          3HZ       LYS  23  18.820   9.937   6.771
  488    HA   PRO  24           HA       PRO  24  12.299   4.883   2.012
  489   2HB   PRO  24          2HB       PRO  24  12.330   2.700   1.207
  490   2HG   PRO  24          2HG       PRO  24  12.784   0.853   2.662
  491   2HD   PRO  24          2HD       PRO  24  14.605   2.275   2.831
  492    H    TYR  25           H        TYR  25  10.008   5.218   2.220
  493    HA   TYR  25           HA       TYR  25   8.985   5.767   4.940
  494   2HB   TYR  25          2HB       TYR  25   7.061   6.739   3.794
  495    HD1  TYR  25           HD2      TYR  25   9.855   7.168   1.338
  496    HD2  TYR  25           HD1      TYR  25   7.650   8.834   4.641
  497    HE1  TYR  25           HE2      TYR  25  11.010   9.331   0.995
  498    HE2  TYR  25           HE1      TYR  25   8.880  10.988   4.369
  499    HH   TYR  25           HH       TYR  25  10.433  12.123   3.185
  500    H    SER  26           H        SER  26   6.359   5.173   4.815
  501    HA   SER  26           HA       SER  26   5.927   2.416   3.890
  502   2HB   SER  26          2HB       SER  26   6.647   2.004   6.101
  503    HG   SER  26           HG       SER  26   5.919   2.965   7.860
  504    H    ASP  27           H        ASP  27   3.576   1.817   4.008
  505    HA   ASP  27           HA       ASP  27   1.943   3.723   2.793
  506   2HB   ASP  27          2HB       ASP  27   1.498   1.410   2.591
  507    H    GLN  28           H        GLN  28   2.413   3.318   6.262
  508    HA   GLN  28           HA       GLN  28   0.446   5.188   7.229
  509   2HB   GLN  28          2HB       GLN  28   3.227   4.324   8.161
  510   2HG   GLN  28          2HG       GLN  28   2.715   4.772  10.288
  511   1HE2  GLN  28          1HE2      GLN  28   1.256   7.754   8.635
  512   2HE2  GLN  28          2HE2      GLN  28   2.598   8.680   9.223
  513    H    GLU  29           H        GLU  29   3.920   5.578   6.853
  514    HA   GLU  29           HA       GLU  29   3.959   8.324   7.238
  515   2HB   GLU  29          2HB       GLU  29   6.228   8.202   6.180
  516   2HG   GLU  29          2HG       GLU  29   5.757   6.047   8.248
  517    H    ILE  30           H        ILE  30   3.994   6.729   4.009
  518    HA   ILE  30           HA       ILE  30   3.932   9.226   2.554
  519    HB   ILE  30           HB       ILE  30   3.310   8.029   0.619
  520   2HG1  ILE  30          2HG1      ILE  30   1.626   6.555   1.289
  521   1HG2  ILE  30          1HG2      ILE  30   5.238   6.649   0.417
  522   2HG2  ILE  30          2HG2      ILE  30   5.658   7.956   1.530
  523   3HG2  ILE  30          3HG2      ILE  30   5.287   6.329   2.161
  524   1HD1  ILE  30          1HD1      ILE  30   3.054   5.567  -0.530
  525   2HD1  ILE  30          2HD1      ILE  30   3.922   4.644   0.721
  526   3HD1  ILE  30          3HD1      ILE  30   2.202   4.361   0.448
  527    H    ALA  31           H        ALA  31   1.297   7.375   4.089
  528    HA   ALA  31           HA       ALA  31  -0.805   8.943   2.765
  529   1HB   ALA  31          1HB       ALA  31  -2.156   8.094   4.786
  530   2HB   ALA  31          2HB       ALA  31  -1.450   6.854   3.746
  531   3HB   ALA  31          3HB       ALA  31  -0.691   7.235   5.296
  532    H    ASN  32           H        ASN  32   1.204   9.356   5.637
  533    HA   ASN  32           HA       ASN  32  -0.277  11.524   6.798
  534   2HB   ASN  32          2HB       ASN  32   2.641  10.756   7.172
  535   1HD2  ASN  32          1HD2      ASN  32   3.579  12.601   8.101
  536   2HD2  ASN  32          2HD2      ASN  32   2.800  13.497   9.398
  537    H    ILE  33           H        ILE  33   2.773  11.550   4.901
  538    HA   ILE  33           HA       ILE  33   3.049  14.416   4.917
  539    HB   ILE  33           HB       ILE  33   4.016  12.542   2.756
  540   2HG1  ILE  33          2HG1      ILE  33   4.706  12.370   5.522
  541   1HG2  ILE  33          1HG2      ILE  33   5.932  14.161   2.576
  542   2HG2  ILE  33          2HG2      ILE  33   4.367  14.748   2.030
  543   3HG2  ILE  33          3HG2      ILE  33   4.998  15.277   3.608
  544   1HD1  ILE  33          1HD1      ILE  33   4.864  10.762   3.582
  545   2HD1  ILE  33          2HD1      ILE  33   6.416  11.508   3.178
  546   3HD1  ILE  33          3HD1      ILE  33   6.183  10.701   4.767
  547    H    LEU  34           H        LEU  34   1.253  12.290   2.789
  548    HA   LEU  34           HA       LEU  34   0.556  14.182   0.713
  549   2HB   LEU  34          2HB       LEU  34  -1.408  12.351   0.620
  550    HG   LEU  34           HG       LEU  34   0.008  12.318  -1.221
  551   1HD1  LEU  34          1HD1      LEU  34   2.339  11.593   0.588
  552   2HD1  LEU  34          2HD1      LEU  34   2.382  11.553  -1.191
  553   3HD1  LEU  34          3HD1      LEU  34   2.108  13.083  -0.350
  554   1HD2  LEU  34          1HD2      LEU  34   0.544   9.681   0.198
  555   2HD2  LEU  34          2HD2      LEU  34  -0.940  10.105  -0.667
  556   3HD2  LEU  34          3HD2      LEU  34   0.590   9.985  -1.552
  557    H    LYS  35           H        LYS  35  -0.521  13.787   3.941
  558    HA   LYS  35           HA       LYS  35  -3.088  15.230   3.446
  559   2HB   LYS  35          2HB       LYS  35  -2.442  13.342   5.278
  560   2HG   LYS  35          2HG       LYS  35  -2.648  15.878   6.943
  561   2HD   LYS  35          2HD       LYS  35  -1.585  13.110   7.600
  562   2HE   LYS  35          2HE       LYS  35  -2.395  15.438   9.402
  563   1HZ   LYS  35          1HZ       LYS  35  -1.341  14.109  11.102
  564   2HZ   LYS  35          2HZ       LYS  35  -0.894  12.961  10.032
  565   3HZ   LYS  35          3HZ       LYS  35  -2.486  13.177  10.393
  566    H    GLU  36           H        GLU  36   0.161  16.104   3.890
  567    HA   GLU  36           HA       GLU  36  -0.416  18.645   5.306
  568   2HB   GLU  36          2HB       GLU  36   1.988  19.001   5.234
  569   2HG   GLU  36          2HG       GLU  36   1.499  16.106   6.028
  570    H    LYS  37           H        LYS  37  -0.344  17.518   2.056
  571    HA   LYS  37           HA       LYS  37   0.024  20.328   1.048
  572   2HB   LYS  37          2HB       LYS  37   2.024  19.118   0.700
  573   2HG   LYS  37          2HG       LYS  37   0.427  17.125  -0.937
  574   2HD   LYS  37          2HD       LYS  37   2.914  17.651  -1.517
  575   2HE   LYS  37          2HE       LYS  37   3.294  15.976   0.998
  576   1HZ   LYS  37          1HZ       LYS  37   5.248  17.484  -0.659
  577   2HZ   LYS  37          2HZ       LYS  37   5.620  16.619   0.674
  578   3HZ   LYS  37          3HZ       LYS  37   5.081  15.859  -0.668
  579    HN2  GLY  38           HN2      GLY  38  -1.972  17.381   0.596
  580   1HA   GLY  38          1HA       GLY  38  -4.141  18.976   0.685
  581   2HA   GLY  38          2HA       GLY  38  -3.792  19.083  -1.035
  582    H    PHE  39           H        PHE  39  -2.950  15.948   0.051
  583    HA   PHE  39           HA       PHE  39  -5.125  15.027  -1.626
  584   2HB   PHE  39          2HB       PHE  39  -3.847  12.961  -1.749
  585    HD1  PHE  39           HD1      PHE  39  -3.971  14.573  -3.847
  586    HD2  PHE  39           HD2      PHE  39  -0.784  14.574  -0.934
  587    HE1  PHE  39           HE1      PHE  39  -2.514  15.726  -5.454
  588    HE2  PHE  39           HE2      PHE  39   0.698  15.684  -2.578
  589    HZ   PHE  39           HZ       PHE  39  -0.158  16.303  -4.837
  590    H    LYS  40           H        LYS  40  -4.427  15.108   1.649
  591    HA   LYS  40           HA       LYS  40  -4.919  13.889   3.561
  592   2HB   LYS  40          2HB       LYS  40  -6.370  15.710   3.571
  593   2HG   LYS  40          2HG       LYS  40  -7.848  14.406   1.404
  594   2HD   LYS  40          2HD       LYS  40  -9.964  15.727   2.225
  595   2HE   LYS  40          2HE       LYS  40  -9.649  13.262   1.562
  596   1HZ   LYS  40          1HZ       LYS  40 -10.064  12.876   4.480
  597   2HZ   LYS  40          2HZ       LYS  40  -8.667  12.521   3.679
  598   3HZ   LYS  40          3HZ       LYS  40 -10.003  11.701   3.328
  599    H    VAL  41           H        VAL  41  -4.434  11.936   1.634
  600    HA   VAL  41           HA       VAL  41  -6.701  10.049   1.724
  601    HB   VAL  41           HB       VAL  41  -5.774  10.096  -0.410
  602   1HG1  VAL  41          1HG1      VAL  41  -3.570  11.050   0.008
  603   2HG1  VAL  41          2HG1      VAL  41  -3.058   9.601   0.908
  604   3HG1  VAL  41          3HG1      VAL  41  -3.372   9.514  -0.828
  605   1HG2  VAL  41          1HG2      VAL  41  -6.314   7.810   0.417
  606   2HG2  VAL  41          2HG2      VAL  41  -4.981   7.763  -0.744
  607   3HG2  VAL  41          3HG2      VAL  41  -4.633   7.605   0.956
  608    H    ALA  42           H        ALA  42  -6.719   8.182   2.873
  609    HA   ALA  42           HA       ALA  42  -5.116   7.932   5.263
  610   1HB   ALA  42          1HB       ALA  42  -7.566   7.616   5.244
  611   2HB   ALA  42          2HB       ALA  42  -7.394   6.252   4.123
  612   3HB   ALA  42          3HB       ALA  42  -6.751   6.137   5.777
  613    H    ARG  43           H        ARG  43  -4.164   5.951   5.907
  614    HA   ARG  43           HA       ARG  43  -2.267   4.767   4.163
  615   2HB   ARG  43          2HB       ARG  43  -3.278   3.976   6.911
  616   2HG   ARG  43          2HG       ARG  43  -0.832   2.866   6.858
  617   2HD   ARG  43          2HD       ARG  43  -3.488   1.657   6.139
  618    HE   ARG  43           HE       ARG  43  -0.997   0.357   5.495
  619   1HH1  ARG  43          1HH1      ARG  43  -4.027  -0.488   6.990
  620   2HH1  ARG  43          2HH1      ARG  43  -3.943  -2.115   6.346
  621   1HH2  ARG  43          1HH2      ARG  43  -1.006  -1.485   4.657
  622   2HH2  ARG  43          2HH2      ARG  43  -2.327  -2.649   4.863
  623    H    ARG  44           H        ARG  44  -5.578   3.867   4.588
  624    HA   ARG  44           HA       ARG  44  -5.308   1.018   3.891
  625   2HB   ARG  44          2HB       ARG  44  -7.931   1.625   3.458
  626   2HG   ARG  44          2HG       ARG  44  -7.018  -0.008   5.093
  627   2HD   ARG  44          2HD       ARG  44  -5.586   1.660   6.433
  628    HE   ARG  44           HE       ARG  44  -7.599   3.243   6.951
  629   1HH1  ARG  44          1HH1      ARG  44  -6.589   0.751   9.291
  630   2HH1  ARG  44          2HH1      ARG  44  -7.424   1.652  10.558
  631   1HH2  ARG  44          1HH2      ARG  44  -8.420   4.259   8.726
  632   2HH2  ARG  44          2HH2      ARG  44  -8.292   3.439  10.290
  633    H    THR  45           H        THR  45  -5.840   4.035   2.133
  634    HA   THR  45           HA       THR  45  -6.578   2.830  -0.370
  635    HB   THR  45           HB       THR  45  -5.737   5.659   0.334
  636    HG1  THR  45           HG1      THR  45  -7.643   6.121   1.160
  637   1HG2  THR  45          1HG2      THR  45  -7.798   4.607  -1.617
  638   2HG2  THR  45          2HG2      THR  45  -7.305   6.306  -1.402
  639   3HG2  THR  45          3HG2      THR  45  -6.155   5.134  -2.043
  640    H    VAL  46           H        VAL  46  -3.924   4.724   1.067
  641    HA   VAL  46           HA       VAL  46  -2.446   4.906  -1.261
  642    HB   VAL  46           HB       VAL  46  -2.355   6.153   1.086
  643   1HG1  VAL  46          1HG1      VAL  46   0.089   4.346   1.297
  644   2HG1  VAL  46          2HG1      VAL  46  -0.303   5.740   2.291
  645   3HG1  VAL  46          3HG1      VAL  46  -1.330   4.292   2.351
  646   1HG2  VAL  46          1HG2      VAL  46  -0.332   7.259   0.382
  647   2HG2  VAL  46          2HG2      VAL  46   0.154   5.853  -0.597
  648   3HG2  VAL  46          3HG2      VAL  46  -1.233   6.849  -1.071
  649    H    ALA  47           H        ALA  47  -2.615   2.399   1.157
  650    HA   ALA  47           HA       ALA  47  -0.218   0.974   0.615
  651   1HB   ALA  47          1HB       ALA  47  -1.500   0.684   2.703
  652   2HB   ALA  47          2HB       ALA  47  -2.908   0.119   1.788
  653   3HB   ALA  47          3HB       ALA  47  -1.420  -0.860   1.843
  654    H    LYS  48           H        LYS  48  -3.482   0.951  -0.736
  655    HA   LYS  48           HA       LYS  48  -3.114  -1.475  -2.335
  656   2HB   LYS  48          2HB       LYS  48  -5.382  -0.689  -3.253
  657   2HG   LYS  48          2HG       LYS  48  -5.034  -0.987  -0.232
  658   2HD   LYS  48          2HD       LYS  48  -7.533  -1.529  -1.894
  659   2HE   LYS  48          2HE       LYS  48  -8.598  -1.623   0.362
  660   1HZ   LYS  48          1HZ       LYS  48  -6.311  -3.502   0.128
  661   2HZ   LYS  48          2HZ       LYS  48  -7.618  -3.746   1.064
  662   3HZ   LYS  48          3HZ       LYS  48  -7.773  -3.720  -0.566
  663    H    TYR  49           H        TYR  49  -2.361   1.844  -2.723
  664    HA   TYR  49           HA       TYR  49  -2.323   1.785  -5.653
  665   2HB   TYR  49          2HB       TYR  49  -1.175   4.084  -5.196
  666    HD1  TYR  49           HD1      TYR  49  -4.437   2.330  -4.513
  667    HD2  TYR  49           HD2      TYR  49  -2.467   5.932  -5.788
  668    HE1  TYR  49           HE1      TYR  49  -6.519   3.068  -5.662
  669    HE2  TYR  49           HE2      TYR  49  -4.563   6.683  -6.934
  670    HH   TYR  49           HH       TYR  49  -7.262   5.842  -6.345
  671    H    ARG  50           H        ARG  50   0.244   2.051  -3.151
  672    HA   ARG  50           HA       ARG  50   2.422   1.899  -5.004
  673   2HB   ARG  50          2HB       ARG  50   2.743   2.543  -2.688
  674   2HG   ARG  50          2HG       ARG  50   1.339   0.246  -1.912
  675   2HD   ARG  50          2HD       ARG  50   3.079  -0.579  -0.183
  676    HE   ARG  50           HE       ARG  50   3.953  -1.889  -2.630
  677   1HH1  ARG  50          1HH1      ARG  50   0.960  -1.518  -0.880
  678   2HH1  ARG  50          2HH1      ARG  50   0.646  -3.212  -0.817
  679   1HH2  ARG  50          1HH2      ARG  50   3.543  -4.073  -2.437
  680   2HH2  ARG  50          2HH2      ARG  50   1.989  -4.610  -1.828
  681    H    GLU  51           H        GLU  51   0.229  -0.521  -4.148
  682    HA   GLU  51           HA       GLU  51   1.822  -2.869  -4.873
  683   2HB   GLU  51          2HB       GLU  51  -1.212  -2.633  -4.780
  684   2HG   GLU  51          2HG       GLU  51  -0.957  -4.938  -3.736
  685    H    MET  52           H        MET  52  -0.503  -0.787  -6.587
  686    HA   MET  52           HA       MET  52  -0.404  -2.501  -8.994
  687   2HB   MET  52          2HB       MET  52  -2.565  -1.616  -8.172
  688   2HG   MET  52          2HG       MET  52  -1.500   1.043  -9.199
  689   1HE   MET  52          1HE       MET  52  -3.211   2.987  -7.658
  690   2HE   MET  52          2HE       MET  52  -2.913   3.162  -9.397
  691   3HE   MET  52          3HE       MET  52  -4.564   3.319  -8.761
  692    H    LEU  53           H        LEU  53   0.947   0.597  -8.004
  693    HA   LEU  53           HA       LEU  53   1.729   1.487 -10.652
  694   2HB   LEU  53          2HB       LEU  53   3.386   2.872  -9.120
  695    HG   LEU  53           HG       LEU  53   0.470   3.095  -9.661
  696   1HD1  LEU  53          1HD1      LEU  53   0.481   3.395  -7.181
  697   2HD1  LEU  53          2HD1      LEU  53   1.642   4.722  -7.379
  698   3HD1  LEU  53          3HD1      LEU  53  -0.006   4.837  -8.035
  699   1HD2  LEU  53          1HD2      LEU  53   1.167   5.237 -10.512
  700   2HD2  LEU  53          2HD2      LEU  53   2.589   5.242  -9.461
  701   3HD2  LEU  53          3HD2      LEU  53   2.506   4.130 -10.844
  702    HN2  GLY  54           HN2      GLY  54   3.761   0.197  -8.029
  703   1HA   GLY  54          1HA       GLY  54   4.839  -1.958  -9.490
  704   2HA   GLY  54          2HA       GLY  54   5.900  -0.594  -9.831
  705    H    ILE  55           H        ILE  55   4.833  -0.394  -6.561
  706    HA   ILE  55           HA       ILE  55   7.577  -1.095  -5.757
  707    HB   ILE  55           HB       ILE  55   5.409   0.548  -4.499
  708   2HG1  ILE  55          2HG1      ILE  55   7.127   1.296  -6.379
  709   1HG2  ILE  55          1HG2      ILE  55   8.061  -0.323  -3.257
  710   2HG2  ILE  55          2HG2      ILE  55   7.055   0.999  -2.633
  711   3HG2  ILE  55          3HG2      ILE  55   6.433  -0.643  -2.610
  712   1HD1  ILE  55          1HD1      ILE  55   7.318   3.547  -5.444
  713   2HD1  ILE  55          2HD1      ILE  55   5.691   2.905  -5.151
  714   3HD1  ILE  55          3HD1      ILE  55   6.883   2.955  -3.830
  715    HA   PRO  56           HA       PRO  56   5.944  -4.966  -4.111
  716   2HB   PRO  56          2HB       PRO  56   7.877  -5.968  -4.778
  717   2HG   PRO  56          2HG       PRO  56   9.895  -4.782  -4.899
  718   2HD   PRO  56          2HD       PRO  56   8.588  -3.090  -5.862
  719    H    SER  57           H        SER  57   8.329  -3.413  -1.973
  720    HA   SER  57           HA       SER  57   6.176  -2.329  -0.317
  721   2HB   SER  57          2HB       SER  57   6.695  -4.548   0.730
  722    HG   SER  57           HG       SER  57   8.604  -4.796   1.792
  723    H    SER  58           H        SER  58   9.212  -2.097  -1.606
  724    HA   SER  58           HA       SER  58  11.013  -0.802  -1.577
  725   2HB   SER  58          2HB       SER  58   9.493   1.079  -1.830
  726    HG   SER  58           HG       SER  58   8.692   0.752   0.476
  727    H    ARG  59           H        ARG  59   9.834  -1.935   1.399
  728    HA   ARG  59           HA       ARG  59  12.231  -1.348   3.027
  729   2HB   ARG  59          2HB       ARG  59   9.769  -3.120   3.313
  730   2HG   ARG  59          2HG       ARG  59  12.039  -2.834   5.330
  731   2HD   ARG  59          2HD       ARG  59   9.281  -4.129   5.388
  732    HE   ARG  59           HE       ARG  59  11.604  -5.039   6.824
  733   1HH1  ARG  59          1HH1      ARG  59   8.195  -4.392   7.374
  734   2HH1  ARG  59          2HH1      ARG  59   8.081  -5.564   8.646
  735   1HH2  ARG  59          1HH2      ARG  59  11.388  -6.544   8.441
  736   2HH2  ARG  59          2HH2      ARG  59   9.801  -6.838   9.128
  737    H    GLU  60           H        GLU  60  10.838  -3.934   1.072
  738    HA   GLU  60           HA       GLU  60  13.007  -5.746   1.572
  739   2HB   GLU  60          2HB       GLU  60  10.711  -6.459   1.101
  740   2HG   GLU  60          2HG       GLU  60  10.575  -4.896  -1.117
  741    H    ARG  61           H        ARG  61  12.537  -3.252  -0.730
  742    HA   ARG  61           HA       ARG  61  14.748  -3.923  -2.541
  743   2HB   ARG  61          2HB       ARG  61  14.461  -1.553  -3.304
  744   2HG   ARG  61          2HG       ARG  61  11.895  -3.187  -3.099
  745   2HD   ARG  61          2HD       ARG  61  11.354  -0.901  -3.765
  746    HE   ARG  61           HE       ARG  61  13.728  -0.984  -5.389
  747   1HH1  ARG  61          1HH1      ARG  61  10.424   0.256  -5.586
  748   2HH1  ARG  61          2HH1      ARG  61  10.966   1.530  -6.690
  749   1HH2  ARG  61          1HH2      ARG  61  14.200   0.723  -6.817
  750   2HH2  ARG  61          2HH2      ARG  61  12.851   1.763  -7.294
  751    H    ARG  62           H        ARG  62  14.364  -1.874   0.381
  752    HA   ARG  62           HA       ARG  62  17.009  -0.723   0.272
  753   2HB   ARG  62          2HB       ARG  62  14.771  -0.904   2.322
  754   2HG   ARG  62          2HG       ARG  62  16.458   1.374   2.742
  755   2HD   ARG  62          2HD       ARG  62  16.034  -1.140   4.383
  756    HE   ARG  62           HE       ARG  62  17.425   1.363   4.986
  757   1HH1  ARG  62          1HH1      ARG  62  15.436  -1.016   6.610
  758   2HH1  ARG  62          2HH1      ARG  62  16.073  -0.593   8.182
  759   1HH2  ARG  62          1HH2      ARG  62  18.204   1.824   6.962
  760   2HH2  ARG  62          2HH2      ARG  62  17.604   0.980   8.371
  761    H    ILE  63           H        ILE  63  15.563  -3.095   2.460
  762    HA   ILE  63           HA       ILE  63  17.731  -3.378   4.172
  763    HB   ILE  63           HB       ILE  63  15.316  -4.018   4.541
  764   2HG1  ILE  63          2HG1      ILE  63  17.448  -5.955   5.529
  765   1HG2  ILE  63          1HG2      ILE  63  14.543  -6.241   4.063
  766   2HG2  ILE  63          2HG2      ILE  63  15.141  -5.548   2.550
  767   3HG2  ILE  63          3HG2      ILE  63  16.123  -6.732   3.427
  768   1HD1  ILE  63          1HD1      ILE  63  16.138  -3.503   6.805
  769   2HD1  ILE  63          2HD1      ILE  63  17.221  -4.632   7.635
  770   3HD1  ILE  63          3HD1      ILE  63  17.841  -3.630   6.316
  Start of MODEL    8
    1   1H5*    T  64          1H5*        T  64  11.176  -5.354  18.265
    2   2H5*    T  64          2H5*        T  64  10.671  -3.659  18.258
    3    H4*    T  64           H4*        T  64  11.821  -4.159  16.221
    4    H3*    T  64           H3*        T  64   8.868  -3.728  15.808
    5   1H2*    T  64          1H2*        T  64   9.197  -4.012  13.516
    6   2H2*    T  64          2H2*        T  64  10.955  -3.699  13.630
    7    H1*    T  64           H1*        T  64  11.154  -5.928  13.609
    8    H3     T  64           H3         T  64   7.898  -8.344  11.735
    9   1H5M    T  64          1H5M        T  64   6.376  -7.121  16.798
   10   2H5M    T  64          2H5M        T  64   5.322  -8.035  15.703
   11   3H5M    T  64          3H5M        T  64   6.640  -8.864  16.562
   12    H6     T  64           H6         T  64   8.464  -6.237  16.032
   13    H5T    T  64           H5T        T  64   9.010  -5.066  19.043
   14   1H5*    T  65          1H5*        T  65  11.015  -1.596  12.850
   15   2H5*    T  65          2H5*        T  65  10.416   0.031  12.500
   16    H4*    T  65           H4*        T  65  10.430  -1.513  10.483
   17    H3*    T  65           H3*        T  65   8.079  -0.043  11.457
   18   1H2*    T  65          1H2*        T  65   6.538  -1.514  10.983
   19   2H2*    T  65          2H2*        T  65   7.058  -1.606   9.287
   20    H1*    T  65           H1*        T  65   8.355  -3.425   9.581
   21    H3     T  65           H3         T  65   5.176  -6.510  10.618
   22   1H5M    T  65          1H5M        T  65   5.136  -5.174  15.125
   23   2H5M    T  65          2H5M        T  65   6.480  -4.020  15.187
   24   3H5M    T  65          3H5M        T  65   4.854  -3.464  14.729
   25    H6     T  65           H6         T  65   7.192  -2.882  13.065
   26   1H5*    T  66          1H5*        T  66   8.663  -1.090   7.169
   27   2H5*    T  66          2H5*        T  66   8.269   0.112   5.939
   28    H4*    T  66           H4*        T  66   7.505  -2.113   5.263
   29    H3*    T  66           H3*        T  66   5.854   0.163   5.232
   30   1H2*    T  66          1H2*        T  66   4.539  -0.561   7.038
   31   2H2*    T  66          2H2*        T  66   3.615  -1.320   5.720
   32    H1*    T  66           H1*        T  66   4.870  -3.373   5.905
   33    H3     T  66           H3         T  66   2.369  -5.569   8.971
   34   1H5M    T  66          1H5M        T  66   4.457  -2.159  12.064
   35   2H5M    T  66          2H5M        T  66   3.730  -0.814  11.154
   36   3H5M    T  66          3H5M        T  66   2.691  -1.973  11.996
   37    H6     T  66           H6         T  66   4.769  -1.388   9.089
   38   1H5*    T  67          1H5*        T  67   4.598  -3.952   3.570
   39   2H5*    T  67          2H5*        T  67   4.168  -3.681   1.876
   40    H4*    T  67           H4*        T  67   2.976  -5.639   2.758
   41    H3*    T  67           H3*        T  67   1.771  -3.516   1.386
   42   1H2*    T  67          1H2*        T  67   0.684  -2.659   3.333
   43   2H2*    T  67          2H2*        T  67  -0.579  -3.814   2.802
   44    H1*    T  67           H1*        T  67   0.372  -5.588   4.144
   45    H3     T  67           H3         T  67  -1.901  -4.751   7.962
   46   1H5M    T  67          1H5M        T  67   2.046  -1.062   7.578
   47   2H5M    T  67          2H5M        T  67   0.443  -0.325   7.773
   48   3H5M    T  67          3H5M        T  67   1.138  -1.320   9.069
   49    H6     T  67           H6         T  67   1.609  -2.402   5.650
   50   1H5*    G  68          1H5*        G  68  -0.196  -7.997   1.312
   51   2H5*    G  68          2H5*        G  68  -0.771  -8.169  -0.351
   52    H4*    G  68           H4*        G  68  -2.022  -9.596   1.176
   53    H3*    G  68           H3*        G  68  -3.269  -8.057  -0.729
   54    H1*    G  68           H1*        G  68  -4.581  -8.221   2.867
   55    H8     G  68           H8         G  68  -2.724  -4.845   2.220
   56    H1     G  68           H1         G  68  -5.749  -5.416   7.900
   57   1H2     G  68          1H2         G  68  -6.969  -7.337   7.821
   58   2H2     G  68          2H2         G  68  -6.655  -8.500   6.542
   59   1H2*    G  68          1H2*        G  68  -3.810  -6.244   0.696
   60   2H2*    G  68          2H2*        G  68  -5.309  -7.198   0.877
   61   1H5*    G  69          1H5*        G  69  -5.934 -11.225   1.881
   62   2H5*    G  69          2H5*        G  69  -6.773 -12.091   0.594
   63    H4*    G  69           H4*        G  69  -8.015 -12.285   2.634
   64    H3*    G  69           H3*        G  69  -9.235 -11.542   0.287
   65    H1*    G  69           H1*        G  69 -10.001  -9.672   3.598
   66    H8     G  69           H8         G  69  -7.698  -7.649   1.196
   67    H1     G  69           H1         G  69  -9.217  -4.707   6.740
   68   1H2     G  69          1H2         G  69 -10.717  -5.909   7.803
   69   2H2     G  69          2H2         G  69 -11.202  -7.480   7.168
   70   1H2*    G  69          1H2*        G  69  -9.246  -9.225   0.692
   71   2H2*    G  69          2H2*        G  69 -10.830  -9.628   1.389
   72   1H5*    C  70          1H5*        C  70 -12.070 -11.595   4.090
   73   2H5*    C  70          2H5*        C  70 -13.595 -12.388   3.683
   74    H4*    C  70           H4*        C  70 -14.017 -10.557   5.189
   75    H3*    C  70           H3*        C  70 -15.262 -10.657   2.596
   76    H1*    C  70           H1*        C  70 -14.346  -7.756   4.835
   77   1H4     C  70          1H4         C  70 -10.850  -2.874   2.938
   78   2H4     C  70          2H4         C  70 -10.043  -3.824   1.684
   79    H5     C  70           H5         C  70 -10.645  -6.069   1.189
   80    H6     C  70           H6         C  70 -12.109  -7.952   1.844
   81   1H2*    C  70          1H2*        C  70 -14.381  -8.620   1.909
   82   2H2*    C  70          2H2*        C  70 -15.721  -7.942   2.877
   83   1H5*    A  71          1H5*        A  71 -17.338  -8.000   5.956
   84   2H5*    A  71          2H5*        A  71 -19.099  -8.004   5.797
   85    H4*    A  71           H4*        A  71 -18.222  -5.742   6.238
   86    H3*    A  71           H3*        A  71 -19.440  -6.188   3.510
   87    H1*    A  71           H1*        A  71 -16.808  -3.683   4.929
   88    H8     A  71           H8         A  71 -16.500  -6.099   1.944
   89   1H6     A  71          1H6         A  71 -12.649  -1.551  -0.135
   90   2H6     A  71          2H6         A  71 -13.102  -3.223  -0.504
   91    H2     A  71           H2         A  71 -14.774  -0.026   3.201
   92   1H2*    A  71          1H2*        A  71 -18.803  -4.093   2.827
   93   2H2*    A  71          2H2*        A  71 -18.957  -3.395   4.468
   94   1H5*    C  72          1H5*        C  72 -20.692  -2.875   6.478
   95   2H5*    C  72          2H5*        C  72 -22.366  -2.315   6.332
   96    H4*    C  72           H4*        C  72 -20.757  -0.432   6.590
   97    H3*    C  72           H3*        C  72 -22.360  -0.696   4.086
   98    H1*    C  72           H1*        C  72 -18.957   0.970   4.903
   99   1H4     C  72          1H4         C  72 -15.571   0.108  -0.439
  100   2H4     C  72          2H4         C  72 -16.630  -1.137  -0.922
  101    H5     C  72           H5         C  72 -18.364  -2.083   0.429
  102    H6     C  72           H6         C  72 -19.671  -1.754   2.488
  103   1H2*    C  72          1H2*        C  72 -21.073   0.598   2.866
  104   2H2*    C  72          2H2*        C  72 -20.865   1.817   4.164
  105   1H5*    G  73          1H5*        G  73 -22.017   3.527   5.889
  106   2H5*    G  73          2H5*        G  73 -23.444   4.537   5.587
  107    H4*    G  73           H4*        G  73 -21.424   5.817   5.196
  108    H3*    G  73           H3*        G  73 -22.864   5.118   2.628
  109    H1*    G  73           H1*        G  73 -19.021   5.387   2.919
  110    H8     G  73           H8         G  73 -21.802   2.838   2.315
  111    H1     G  73           H1         G  73 -16.957   2.895  -1.956
  112   1H2     G  73          1H2         G  73 -16.200   5.043  -2.063
  113   2H2     G  73          2H2         G  73 -16.625   6.139  -0.746
  114   1H2*    G  73          1H2*        G  73 -21.128   6.334   1.479
  115   2H2*    G  73          2H2*        G  73 -20.561   7.085   3.000
  116   1H5*    T  74          1H5*        T  74 -21.379   9.049   2.412
  117   2H5*    T  74          2H5*        T  74 -22.495  10.261   1.763
  118    H4*    T  74           H4*        T  74 -20.297  10.277   0.561
  119    H3*    T  74           H3*        T  74 -22.679   9.306  -1.037
  120   1H2*    T  74          1H2*        T  74 -21.183   9.143  -2.894
  121   2H2*    T  74          2H2*        T  74 -19.972  10.188  -2.099
  122    H1*    T  74           H1*        T  74 -19.005   8.326  -1.384
  123    H3     T  74           H3         T  74 -19.711   4.602  -3.962
  124   1H5M    T  74          1H5M        T  74 -23.010   3.353  -0.784
  125   2H5M    T  74          2H5M        T  74 -23.273   4.850   0.131
  126   3H5M    T  74          3H5M        T  74 -24.064   4.622  -1.444
  127    H6     T  74           H6         T  74 -22.068   6.894  -0.445
  128   1H5*    T  75          1H5*        T  75 -20.218  12.073  -3.108
  129   2H5*    T  75          2H5*        T  75 -21.090  13.370  -3.920
  130    H4*    T  75           H4*        T  75 -19.464  12.279  -5.414
  131    H3*    T  75           H3*        T  75 -22.260  12.675  -5.948
  132   1H2*    T  75          1H2*        T  75 -22.855  10.660  -6.503
  133   2H2*    T  75          2H2*        T  75 -21.903  10.821  -7.990
  134    H1*    T  75           H1*        T  75 -20.143   9.675  -7.184
  135    H3     T  75           H3         T  75 -21.362   5.306  -6.729
  136   1H5M    T  75          1H5M        T  75 -23.724   7.948  -2.783
  137   2H5M    T  75          2H5M        T  75 -24.981   7.943  -4.040
  138   3H5M    T  75          3H5M        T  75 -24.409   6.412  -3.346
  139    H6     T  75           H6         T  75 -22.626   9.485  -4.696
  140   1H5*    T  76          1H5*        T  76 -19.146  11.898  -9.252
  141   2H5*    T  76          2H5*        T  76 -19.304  12.916 -10.693
  142    H4*    T  76           H4*        T  76 -18.703  10.612 -11.311
  143    H3*    T  76           H3*        T  76 -21.274  11.804 -12.181
  144   1H2*    T  76          1H2*        T  76 -22.444   9.899 -12.220
  145   2H2*    T  76          2H2*        T  76 -21.200   9.116 -13.225
  146    H1*    T  76           H1*        T  76 -20.167   8.095 -11.551
  147    H3     T  76           H3         T  76 -23.036   5.224  -9.427
  148   1H5M    T  76          1H5M        T  76 -25.729   9.088  -8.293
  149   2H5M    T  76          2H5M        T  76 -24.497   9.103  -7.002
  150   3H5M    T  76          3H5M        T  76 -24.455  10.338  -8.266
  151    H6     T  76           H6         T  76 -22.818  10.022  -9.829
  152   1H5*    C  77          1H5*        C  77 -18.951   8.954 -15.011
  153   2H5*    C  77          2H5*        C  77 -19.218   9.274 -16.730
  154    H4*    C  77           H4*        C  77 -19.517   6.911 -16.358
  155    H3*    C  77           H3*        C  77 -22.227   8.229 -16.627
  156    H1*    C  77           H1*        C  77 -21.123   4.986 -14.798
  157   1H4     C  77          1H4         C  77 -26.255   5.820 -11.192
  158   2H4     C  77          2H4         C  77 -26.281   7.571 -11.462
  159    H5     C  77           H5         C  77 -24.683   8.659 -12.927
  160    H6     C  77           H6         C  77 -22.723   8.220 -14.440
  161    H3T    C  77           H3T        C  77 -20.907   8.323 -18.520
  162   1H2*    C  77          1H2*        C  77 -23.130   6.064 -16.510
  163   2H2*    C  77          2H2*        C  77 -21.590   5.292 -17.004
  164   1H5*    G  78          1H5*        G  78 -32.843  -2.348 -12.035
  165   2H5*    G  78          2H5*        G  78 -32.212  -3.733 -11.128
  166    H4*    G  78           H4*        G  78 -30.844  -3.454 -13.061
  167    H3*    G  78           H3*        G  78 -29.493  -2.533 -10.511
  168    H1*    G  78           H1*        G  78 -28.901  -0.914 -14.039
  169    H8     G  78           H8         G  78 -30.584   0.079 -10.831
  170    H1     G  78           H1         G  78 -25.490   3.733 -12.353
  171   1H2     G  78          1H2         G  78 -24.271   2.619 -13.837
  172   2H2     G  78          2H2         G  78 -24.915   1.154 -14.585
  173   1H2*    G  78          1H2*        G  78 -27.693  -1.740 -11.672
  174   2H2*    G  78          2H2*        G  78 -27.993  -2.782 -13.108
  175    H5T    G  78           H5T        G  78 -32.760  -1.965  -9.752
  176   1H5*    A  79          1H5*        A  79 -26.515  -4.390 -12.786
  177   2H5*    A  79          2H5*        A  79 -25.491  -5.493 -11.863
  178    H4*    A  79           H4*        A  79 -24.187  -3.655 -12.953
  179    H3*    A  79           H3*        A  79 -24.214  -3.907  -9.962
  180    H1*    A  79           H1*        A  79 -23.677  -0.765 -12.300
  181    H8     A  79           H8         A  79 -26.428  -1.432  -9.745
  182   1H6     A  79          1H6         A  79 -25.153   4.471  -7.934
  183   2H6     A  79          2H6         A  79 -26.305   3.157  -7.648
  184    H2     A  79           H2         A  79 -22.115   3.308 -10.686
  185   1H2*    A  79          1H2*        A  79 -23.058  -1.931  -9.727
  186   2H2*    A  79          2H2*        A  79 -22.233  -2.116 -11.301
  187   1H5*    A  80          1H5*        A  80 -20.723  -3.429 -12.706
  188   2H5*    A  80          2H5*        A  80 -19.199  -4.248 -12.326
  189    H4*    A  80           H4*        A  80 -18.867  -1.820 -13.025
  190    H3*    A  80           H3*        A  80 -18.076  -2.647 -10.206
  191    H1*    A  80           H1*        A  80 -19.260   0.801 -11.511
  192    H8     A  80           H8         A  80 -20.641  -1.815  -9.088
  193   1H6     A  80          1H6         A  80 -22.605   3.247  -5.896
  194   2H6     A  80          2H6         A  80 -22.739   1.486  -5.927
  195    H2     A  80           H2         A  80 -19.949   4.588  -8.981
  196   1H2*    A  80          1H2*        A  80 -17.545  -0.475  -9.782
  197   2H2*    A  80          2H2*        A  80 -17.269  -0.068 -11.495
  198   1H5*    A  81          1H5*        A  81 -15.109  -0.166 -12.203
  199   2H5*    A  81          2H5*        A  81 -13.439  -0.611 -11.813
  200    H4*    A  81           H4*        A  81 -13.918   1.772 -11.202
  201    H3*    A  81           H3*        A  81 -13.212  -0.264  -9.120
  202    H1*    A  81           H1*        A  81 -15.289   3.059  -8.918
  203    H8     A  81           H8         A  81 -16.398  -0.567  -8.128
  204   1H6     A  81          1H6         A  81 -20.256   2.215  -4.045
  205   2H6     A  81          2H6         A  81 -19.665   0.640  -4.574
  206    H2     A  81           H2         A  81 -18.148   5.318  -6.199
  207   1H2*    A  81          1H2*        A  81 -14.002   0.922  -7.399
  208   2H2*    A  81          2H2*        A  81 -13.397   2.468  -8.059
  209   1H5*    C  82          1H5*        C  82 -11.552   3.965  -9.173
  210   2H5*    C  82          2H5*        C  82  -9.928   4.170  -8.497
  211    H4*    C  82           H4*        C  82 -11.363   5.916  -7.657
  212    H3*    C  82           H3*        C  82 -10.712   3.814  -5.569
  213    H1*    C  82           H1*        C  82 -13.887   5.951  -5.657
  214   1H4     C  82          1H4         C  82 -17.247   1.565  -2.910
  215   2H4     C  82          2H4         C  82 -16.146   0.359  -3.463
  216    H5     C  82           H5         C  82 -14.291   0.790  -4.977
  217    H6     C  82           H6         C  82 -12.880   2.510  -5.906
  218   1H2*    C  82          1H2*        C  82 -11.855   5.223  -3.997
  219   2H2*    C  82          2H2*        C  82 -11.786   6.612  -5.105
  220   1H5*    G  83          1H5*        G  83  -9.761   7.908  -3.933
  221   2H5*    G  83          2H5*        G  83  -8.304   7.795  -2.941
  222    H4*    G  83           H4*        G  83 -10.132   8.869  -1.805
  223    H3*    G  83           H3*        G  83  -8.545   7.469  -0.427
  224    H1*    G  83           H1*        G  83 -12.249   6.499  -0.085
  225    H8     G  83           H8         G  83 -10.288   4.134  -2.453
  226    H1     G  83           H1         G  83 -15.506   1.522   0.293
  227   1H2     G  83          1H2         G  83 -16.118   2.879   1.982
  228   2H2     G  83          2H2         G  83 -15.418   4.488   2.104
  229   1H2*    G  83          1H2*        G  83  -9.542   5.334  -0.733
  230   2H2*    G  83          2H2*        G  83 -10.233   5.778   0.846
  231   1H5*    T  84          1H5*        T  84 -12.402   7.610   2.581
  232   2H5*    T  84          2H5*        T  84 -11.682   8.389   4.008
  233    H4*    T  84           H4*        T  84 -12.856   6.460   4.803
  234    H3*    T  84           H3*        T  84 -10.031   6.698   5.192
  235   1H2*    T  84          1H2*        T  84  -9.504   4.895   3.806
  236   2H2*    T  84          2H2*        T  84  -9.807   3.956   5.306
  237    H1*    T  84           H1*        T  84 -12.109   3.639   4.757
  238    H3     T  84           H3         T  84 -12.836   0.274   1.843
  239   1H5M    T  84          1H5M        T  84  -8.792   3.119  -0.174
  240   2H5M    T  84          2H5M        T  84  -8.182   1.554   0.424
  241   3H5M    T  84          3H5M        T  84  -9.352   1.627  -0.913
  242    H6     T  84           H6         T  84  -9.562   3.799   1.980
  243   1H5*    G  85          1H5*        G  85 -12.907   5.256   9.036
  244   2H5*    G  85          2H5*        G  85 -11.798   5.373  10.416
  245    H4*    G  85           H4*        G  85 -13.265   3.512  10.873
  246    H3*    G  85           H3*        G  85 -10.517   2.690   9.936
  247    H1*    G  85           H1*        G  85 -13.767   0.707   9.153
  248    H8     G  85           H8         G  85 -10.746   2.473   7.538
  249    H1     G  85           H1         G  85 -12.673  -2.932   4.611
  250   1H2     G  85          1H2         G  85 -14.180  -3.923   5.939
  251   2H2     G  85          2H2         G  85 -14.779  -3.093   7.375
  252   1H2*    G  85          1H2*        G  85 -11.067   0.498   9.832
  253   2H2*    G  85          2H2*        G  85 -12.434   0.646  10.993
  254   1H5*    C  86          1H5*        C  86 -12.064   0.353  13.297
  255   2H5*    C  86          2H5*        C  86 -10.890   0.226  14.611
  256    H4*    C  86           H4*        C  86 -12.017  -1.914  14.196
  257    H3*    C  86           H3*        C  86  -9.146  -1.559  14.157
  258    H1*    C  86           H1*        C  86 -11.252  -4.065  11.912
  259   1H4     C  86          1H4         C  86  -9.595  -2.956   5.895
  260   2H4     C  86          2H4         C  86  -8.923  -1.400   6.316
  261    H5     C  86           H5         C  86  -8.933  -0.504   8.504
  262    H6     C  86           H6         C  86  -9.437  -1.005  10.864
  263   1H2*    C  86          1H2*        C  86  -8.625  -2.707  12.323
  264   2H2*    C  86          2H2*        C  86  -9.298  -4.174  13.052
  265   1H5*    C  87          1H5*        C  87 -10.666  -5.879  15.194
  266   2H5*    C  87          2H5*        C  87  -9.608  -6.721  16.332
  267    H4*    C  87           H4*        C  87 -10.134  -8.144  14.406
  268    H3*    C  87           H3*        C  87  -7.265  -7.198  14.565
  269    H1*    C  87           H1*        C  87  -9.395  -8.121  11.419
  270   1H4     C  87          1H4         C  87  -6.846  -3.701   7.809
  271   2H4     C  87          2H4         C  87  -6.202  -2.849   9.192
  272    H5     C  87           H5         C  87  -6.281  -3.658  11.360
  273    H6     C  87           H6         C  87  -7.158  -5.451  12.849
  274   1H2*    C  87          1H2*        C  87  -6.808  -8.350  12.552
  275   2H2*    C  87          2H2*        C  87  -8.207  -9.432  12.759
  276   1H5*    A  88          1H5*        A  88  -7.569 -11.320  13.669
  277   2H5*    A  88          2H5*        A  88  -6.446 -12.414  14.467
  278    H4*    A  88           H4*        A  88  -6.564 -12.539  11.948
  279    H3*    A  88           H3*        A  88  -4.340 -12.973  13.519
  280    H1*    A  88           H1*        A  88  -4.156 -10.734  10.347
  281    H8     A  88           H8         A  88  -4.465  -8.668  13.654
  282   1H6     A  88          1H6         A  88  -2.392  -3.958  10.102
  283   2H6     A  88          2H6         A  88  -3.000  -4.357  11.708
  284    H2     A  88           H2         A  88  -2.535  -7.476   7.603
  285   1H2*    A  88          1H2*        A  88  -3.418 -10.830  13.288
  286   2H2*    A  88          2H2*        A  88  -2.615 -11.608  11.903
  287   1H5*    A  89          1H5*        A  89  -4.321 -13.169   8.905
  288   2H5*    A  89          2H5*        A  89  -3.709 -14.748   8.398
  289    H4*    A  89           H4*        A  89  -3.438 -13.068   6.652
  290    H3*    A  89           H3*        A  89  -1.459 -14.838   7.385
  291    H1*    A  89           H1*        A  89  -0.712 -11.126   6.747
  292    H8     A  89           H8         A  89  -0.779 -12.013  10.550
  293   1H6     A  89          1H6         A  89   1.245  -6.097  11.167
  294   2H6     A  89          2H6         A  89   0.799  -7.529  12.101
  295    H2     A  89           H2         A  89   0.725  -6.886   6.959
  296   1H2*    A  89          1H2*        A  89  -0.214 -13.372   8.714
  297   2H2*    A  89          2H2*        A  89   0.578 -13.036   7.150
  298   1H5*    A  90          1H5*        A  90  -0.029 -11.872   3.991
  299   2H5*    A  90          2H5*        A  90   0.745 -12.804   2.706
  300    H4*    A  90           H4*        A  90   1.969 -10.764   3.044
  301    H3*    A  90           H3*        A  90   3.254 -13.318   3.321
  302    H1*    A  90           H1*        A  90   4.002 -10.008   5.063
  303    H8     A  90           H8         A  90   2.685 -12.694   7.581
  304   1H6     A  90          1H6         A  90   3.939  -8.194  11.784
  305   2H6     A  90          2H6         A  90   3.225  -9.800  11.637
  306    H2     A  90           H2         A  90   5.350  -6.834   7.958
  307   1H2*    A  90          1H2*        A  90   3.844 -13.017   5.533
  308   2H2*    A  90          2H2*        A  90   5.196 -12.074   4.837
  309   1H5*    A  91          1H5*        A  91   5.956  -9.416   1.793
  310   2H5*    A  91          2H5*        A  91   7.230 -10.141   0.803
  311    H4*    A  91           H4*        A  91   8.213  -8.316   2.019
  312    H3*    A  91           H3*        A  91   8.954 -11.039   3.151
  313    H1*    A  91           H1*        A  91   8.637  -7.705   5.130
  314    H8     A  91           H8         A  91   7.541 -11.392   5.097
  315   1H6     A  91          1H6         A  91   6.711 -10.288  11.262
  316   2H6     A  91          2H6         A  91   6.557 -11.581  10.069
  317    H2     A  91           H2         A  91   8.356  -6.759   9.492
  318    H3T    A  91           H3T        A  91   9.876 -10.454   1.114
  319   1H2*    A  91          1H2*        A  91  10.209 -10.029   4.827
  320   2H2*    A  91          2H2*        A  91  10.391  -8.497   3.909
  321   1H    HIS   1          1H        HIS   1 -14.525   9.443  -1.079
  322   2H    HIS   1          2H        HIS   1 -14.620   7.987  -1.833
  323   3H    HIS   1          3H        HIS   1 -15.568   9.238  -2.330
  324    HA   HIS   1           HA       HIS   1 -12.642   9.139  -2.490
  325   2HB   HIS   1          2HB       HIS   1 -13.592   7.610  -4.073
  326    HD1  HIS   1           HD1      HIS   1 -16.184   7.133  -4.373
  327    HD2  HIS   1           HD2      HIS   1 -14.748  10.707  -6.110
  328    HE1  HIS   1           HE1      HIS   1 -18.094   8.061  -5.795
  329    H    MET   2           H        MET   2 -11.717  10.802  -3.821
  330    HA   MET   2           HA       MET   2 -13.162  13.384  -4.032
  331   2HB   MET   2          2HB       MET   2 -10.681  13.012  -2.292
  332   2HG   MET   2          2HG       MET   2 -12.333  15.495  -2.889
  333   1HE   MET   2          1HE       MET   2 -10.165  18.070  -0.846
  334   2HE   MET   2          2HE       MET   2  -9.870  17.507  -2.505
  335   3HE   MET   2          3HE       MET   2 -11.528  17.865  -1.964
  336    H    LEU   3           H        LEU   3  -9.990  11.732  -4.373
  337    HA   LEU   3           HA       LEU   3  -8.878  13.696  -6.110
  338   2HB   LEU   3          2HB       LEU   3  -7.034  11.955  -6.275
  339    HG   LEU   3           HG       LEU   3  -7.937  12.223  -3.394
  340   1HD1  LEU   3          1HD1      LEU   3  -5.709  11.910  -2.839
  341   2HD1  LEU   3          2HD1      LEU   3  -5.830  10.875  -4.275
  342   3HD1  LEU   3          3HD1      LEU   3  -5.106  12.456  -4.440
  343   1HD2  LEU   3          1HD2      LEU   3  -8.097  14.473  -4.255
  344   2HD2  LEU   3          2HD2      LEU   3  -6.548  14.354  -3.441
  345   3HD2  LEU   3          3HD2      LEU   3  -6.618  14.256  -5.220
  346    H    THR   4           H        THR   4  -7.654  13.030  -8.001
  347    HA   THR   4           HA       THR   4  -9.511  12.382 -10.200
  348    HB   THR   4           HB       THR   4  -7.662  12.912 -11.709
  349    HG1  THR   4           HG1      THR   4  -5.733  13.705 -10.685
  350   1HG2  THR   4          1HG2      THR   4  -7.302  15.253 -11.154
  351   2HG2  THR   4          2HG2      THR   4  -8.989  14.783 -10.881
  352   3HG2  THR   4          3HG2      THR   4  -7.892  14.981  -9.502
  353    H    GLN   5           H        GLN   5  -8.117  11.104 -12.071
  354    HA   GLN   5           HA       GLN   5  -8.247   8.366 -11.611
  355   2HB   GLN   5          2HB       GLN   5  -8.167   9.476 -13.787
  356   2HG   GLN   5          2HG       GLN   5  -5.157   9.719 -13.376
  357   1HE2  GLN   5          1HE2      GLN   5  -7.482  11.435 -15.551
  358   2HE2  GLN   5          2HE2      GLN   5  -6.690  10.866 -17.018
  359    HN2  GLY   6           HN2      GLY   6  -5.545  10.491 -10.689
  360   1HA   GLY   6          1HA       GLY   6  -4.518   8.416  -8.982
  361   2HA   GLY   6          2HA       GLY   6  -3.490   8.643 -10.403
  362    H    GLU   7           H        GLU   7  -5.188  11.273  -8.419
  363    HA   GLU   7           HA       GLU   7  -2.866  12.874  -8.419
  364   2HB   GLU   7          2HB       GLU   7  -4.614  13.553  -6.248
  365   2HG   GLU   7          2HG       GLU   7  -4.492  14.682  -9.062
  366    H    LEU   8           H        LEU   8  -3.609  10.162  -6.499
  367    HA   LEU   8           HA       LEU   8  -1.325  10.839  -4.670
  368   2HB   LEU   8          2HB       LEU   8  -3.515  10.440  -3.597
  369    HG   LEU   8           HG       LEU   8  -3.816   8.197  -5.218
  370   1HD1  LEU   8          1HD1      LEU   8  -3.029   7.307  -2.395
  371   2HD1  LEU   8          2HD1      LEU   8  -3.616   6.240  -3.662
  372   3HD1  LEU   8          3HD1      LEU   8  -2.029   7.018  -3.839
  373   1HD2  LEU   8          1HD2      LEU   8  -5.817   8.745  -4.357
  374   2HD2  LEU   8          2HD2      LEU   8  -5.468   7.445  -3.223
  375   3HD2  LEU   8          3HD2      LEU   8  -5.168   9.127  -2.745
  376    H    MET   9           H        MET   9  -2.135   8.953  -7.377
  377    HA   MET   9           HA       MET   9  -0.457   6.595  -6.810
  378   2HB   MET   9          2HB       MET   9  -2.440   7.379  -8.862
  379   2HG   MET   9          2HG       MET   9   0.097   6.060  -9.691
  380   1HE   MET   9          1HE       MET   9  -3.840   5.814 -10.245
  381   2HE   MET   9          2HE       MET   9  -3.243   6.589 -11.730
  382   3HE   MET   9          3HE       MET   9  -3.896   4.937 -11.786
  383    H    LYS  10           H        LYS  10  -0.352   9.214  -9.199
  384    HA   LYS  10           HA       LYS  10   2.329   8.430 -10.051
  385   2HB   LYS  10          2HB       LYS  10   0.637   9.176 -11.602
  386   2HG   LYS  10          2HG       LYS  10   0.920  12.065 -10.867
  387   2HD   LYS  10          2HD       LYS  10  -1.574  10.551 -11.750
  388   2HE   LYS  10          2HE       LYS  10  -0.680  13.460 -11.853
  389   1HZ   LYS  10          1HZ       LYS  10  -2.889  13.846 -12.750
  390   2HZ   LYS  10          2HZ       LYS  10  -2.069  12.861 -13.757
  391   3HZ   LYS  10          3HZ       LYS  10  -3.227  12.247 -12.778
  392    H    LEU  11           H        LEU  11   1.946   9.412  -7.288
  393    HA   LEU  11           HA       LEU  11   3.877  11.674  -7.002
  394   2HB   LEU  11          2HB       LEU  11   2.539  12.242  -4.935
  395    HG   LEU  11           HG       LEU  11   0.668  13.402  -5.856
  396   1HD1  LEU  11          1HD1      LEU  11   2.980  13.496  -7.827
  397   2HD1  LEU  11          2HD1      LEU  11   1.782  14.779  -7.531
  398   3HD1  LEU  11          3HD1      LEU  11   2.933  14.332  -6.256
  399   1HD2  LEU  11          1HD2      LEU  11   0.044  11.449  -7.471
  400   2HD2  LEU  11          2HD2      LEU  11  -0.233  13.116  -8.027
  401   3HD2  LEU  11          3HD2      LEU  11   1.189  12.231  -8.571
  402    H    ILE  12           H        ILE  12   2.362   8.789  -5.411
  403    HA   ILE  12           HA       ILE  12   4.168   8.750  -3.209
  404    HB   ILE  12           HB       ILE  12   3.604   6.324  -3.038
  405   2HG1  ILE  12          2HG1      ILE  12   2.890   6.382  -5.715
  406   1HG2  ILE  12          1HG2      ILE  12   1.412   8.406  -3.130
  407   2HG2  ILE  12          2HG2      ILE  12   1.156   6.766  -2.528
  408   3HG2  ILE  12          3HG2      ILE  12   2.334   7.844  -1.733
  409   1HD1  ILE  12          1HD1      ILE  12   1.795   4.597  -3.489
  410   2HD1  ILE  12          2HD1      ILE  12   1.733   4.216  -5.208
  411   3HD1  ILE  12          3HD1      ILE  12   3.306   4.348  -4.403
  412    H    LYS  13           H        LYS  13   4.577   7.402  -6.463
  413    HA   LYS  13           HA       LYS  13   7.232   6.229  -5.675
  414   2HB   LYS  13          2HB       LYS  13   6.120   4.859  -7.217
  415   2HG   LYS  13          2HG       LYS  13   5.336   7.382  -8.603
  416   2HD   LYS  13          2HD       LYS  13   6.814   6.440 -10.333
  417   2HE   LYS  13          2HE       LYS  13   5.044   3.964 -10.102
  418   1HZ   LYS  13          1HZ       LYS  13   7.273   4.547 -11.969
  419   2HZ   LYS  13          2HZ       LYS  13   6.465   3.133 -11.878
  420   3HZ   LYS  13          3HZ       LYS  13   5.696   4.480 -12.391
  421    H    GLU  14           H        GLU  14   6.205   9.256  -6.474
  422    HA   GLU  14           HA       GLU  14   8.577  10.044  -8.096
  423   2HB   GLU  14          2HB       GLU  14   6.112  11.706  -7.454
  424   2HG   GLU  14          2HG       GLU  14   8.289  11.903  -9.582
  425    H    ILE  15           H        ILE  15   7.352  10.205  -4.823
  426    HA   ILE  15           HA       ILE  15   9.494  12.139  -4.094
  427    HB   ILE  15           HB       ILE  15   8.435  12.431  -2.001
  428   2HG1  ILE  15          2HG1      ILE  15   6.839  10.026  -2.709
  429   1HG2  ILE  15          1HG2      ILE  15   6.324  12.694  -4.168
  430   2HG2  ILE  15          2HG2      ILE  15   6.442  13.619  -2.661
  431   3HG2  ILE  15          3HG2      ILE  15   7.684  13.806  -3.913
  432   1HD1  ILE  15          1HD1      ILE  15   7.362  11.446  -0.065
  433   2HD1  ILE  15          2HD1      ILE  15   6.709   9.810  -0.282
  434   3HD1  ILE  15          3HD1      ILE  15   8.384  10.167  -0.756
  435    H    VAL  16           H        VAL  16   8.181   8.822  -3.348
  436    HA   VAL  16           HA       VAL  16  10.272   8.349  -1.489
  437    HB   VAL  16           HB       VAL  16   8.632   6.252  -2.975
  438   1HG1  VAL  16          1HG1      VAL  16   9.226   4.903  -0.880
  439   2HG1  VAL  16          2HG1      VAL  16  10.567   5.207  -1.995
  440   3HG1  VAL  16          3HG1      VAL  16  10.421   6.181  -0.518
  441   1HG2  VAL  16          1HG2      VAL  16   8.232   7.483  -0.200
  442   2HG2  VAL  16          2HG2      VAL  16   7.223   7.824  -1.599
  443   3HG2  VAL  16          3HG2      VAL  16   7.258   6.191  -0.935
  444    H    GLU  17           H        GLU  17  10.194   8.000  -5.005
  445    HA   GLU  17           HA       GLU  17  12.782   6.475  -5.006
  446   2HB   GLU  17          2HB       GLU  17  12.725   6.753  -7.472
  447   2HG   GLU  17          2HG       GLU  17  10.682   5.438  -7.991
  448    H    ASN  18           H        ASN  18  12.029   9.589  -4.302
  449    HA   ASN  18           HA       ASN  18  14.423  10.775  -5.603
  450   2HB   ASN  18          2HB       ASN  18  12.705  12.762  -4.482
  451   1HD2  ASN  18          1HD2      ASN  18  11.099  12.419  -7.205
  452   2HD2  ASN  18          2HD2      ASN  18  12.234  13.159  -8.349
  453    H    GLU  19           H        GLU  19  13.233   9.701  -2.502
  454    HA   GLU  19           HA       GLU  19  14.804  11.770  -1.064
  455   2HB   GLU  19          2HB       GLU  19  13.437  10.903   0.892
  456   2HG   GLU  19          2HG       GLU  19  11.211  11.774   0.013
  457    H    ASP  20           H        ASP  20  14.173   8.813   0.578
  458    HA   ASP  20           HA       ASP  20  17.031   8.064   0.472
  459   2HB   ASP  20          2HB       ASP  20  16.943   7.923   3.016
  460    H    LYS  21           H        LYS  21  16.151   6.358  -0.793
  461    HA   LYS  21           HA       LYS  21  14.417   4.306   0.257
  462   2HB   LYS  21          2HB       LYS  21  15.518   2.853  -1.495
  463   2HG   LYS  21          2HG       LYS  21  14.584   5.588  -2.477
  464   2HD   LYS  21          2HD       LYS  21  13.499   4.187  -4.247
  465   2HE   LYS  21          2HE       LYS  21  16.541   4.020  -4.169
  466   1HZ   LYS  21          1HZ       LYS  21  16.246   4.047  -6.605
  467   2HZ   LYS  21          2HZ       LYS  21  15.600   2.696  -5.954
  468   3HZ   LYS  21          3HZ       LYS  21  14.619   3.911  -6.435
  469    H    ARG  22           H        ARG  22  17.653   4.982   1.035
  470    HA   ARG  22           HA       ARG  22  18.369   2.556   2.496
  471   2HB   ARG  22          2HB       ARG  22  20.103   4.118   1.879
  472   2HG   ARG  22          2HG       ARG  22  18.480   6.181   3.429
  473   2HD   ARG  22          2HD       ARG  22  21.416   6.235   2.706
  474    HE   ARG  22           HE       ARG  22  19.591   8.460   2.824
  475   1HH1  ARG  22          1HH1      ARG  22  22.803   7.682   3.993
  476   2HH1  ARG  22          2HH1      ARG  22  23.264   9.372   3.999
  477   1HH2  ARG  22          1HH2      ARG  22  20.164  10.413   2.860
  478   2HH2  ARG  22          2HH2      ARG  22  21.777  10.944   3.359
  479    H    LYS  23           H        LYS  23  16.275   5.171   3.218
  480    HA   LYS  23           HA       LYS  23  15.424   3.989   5.837
  481   2HB   LYS  23          2HB       LYS  23  15.335   6.283   6.813
  482   2HG   LYS  23          2HG       LYS  23  18.156   5.521   5.930
  483   2HD   LYS  23          2HD       LYS  23  18.798   6.598   8.085
  484   2HE   LYS  23          2HE       LYS  23  17.442   8.469   6.100
  485   1HZ   LYS  23          1HZ       LYS  23  18.201   9.565   8.136
  486   2HZ   LYS  23          2HZ       LYS  23  19.130  10.022   6.875
  487   3HZ   LYS  23          3HZ       LYS  23  19.704   8.946   7.961
  488    HA   PRO  24           HA       PRO  24  12.421   5.175   2.470
  489   2HB   PRO  24          2HB       PRO  24  12.557   3.004   1.633
  490   2HG   PRO  24          2HG       PRO  24  12.663   1.107   3.108
  491   2HD   PRO  24          2HD       PRO  24  14.493   2.437   3.580
  492    H    TYR  25           H        TYR  25  10.110   5.595   2.347
  493    HA   TYR  25           HA       TYR  25   8.718   6.017   4.911
  494   2HB   TYR  25          2HB       TYR  25   6.940   6.980   3.603
  495    HD1  TYR  25           HD1      TYR  25   9.865   7.530   1.328
  496    HD2  TYR  25           HD2      TYR  25   7.489   9.022   4.590
  497    HE1  TYR  25           HE1      TYR  25  10.929   9.739   1.060
  498    HE2  TYR  25           HE2      TYR  25   8.625  11.239   4.400
  499    HH   TYR  25           HH       TYR  25  11.123  11.919   1.961
  500    H    SER  26           H        SER  26   6.337   5.335   4.888
  501    HA   SER  26           HA       SER  26   5.956   2.507   3.991
  502   2HB   SER  26          2HB       SER  26   6.552   2.524   6.390
  503    HG   SER  26           HG       SER  26   5.237   3.568   7.845
  504    H    ASP  27           H        ASP  27   3.552   1.939   4.045
  505    HA   ASP  27           HA       ASP  27   1.950   3.808   2.710
  506   2HB   ASP  27          2HB       ASP  27   1.495   1.494   2.583
  507    H    GLN  28           H        GLN  28   2.323   3.534   6.273
  508    HA   GLN  28           HA       GLN  28   0.261   5.504   6.828
  509   2HB   GLN  28          2HB       GLN  28   2.625   4.434   8.405
  510   2HG   GLN  28          2HG       GLN  28   2.227   6.679   9.230
  511   1HE2  GLN  28          1HE2      GLN  28   0.547   7.988   8.059
  512   2HE2  GLN  28          2HE2      GLN  28  -1.081   8.031   8.730
  513    H    GLU  29           H        GLU  29   3.904   5.741   6.552
  514    HA   GLU  29           HA       GLU  29   3.864   8.529   7.086
  515   2HB   GLU  29          2HB       GLU  29   6.187   8.402   6.187
  516   2HG   GLU  29          2HG       GLU  29   5.461   6.295   8.254
  517    H    ILE  30           H        ILE  30   3.983   6.880   3.866
  518    HA   ILE  30           HA       ILE  30   3.916   9.367   2.411
  519    HB   ILE  30           HB       ILE  30   3.311   8.207   0.478
  520   2HG1  ILE  30          2HG1      ILE  30   1.574   6.780   1.073
  521   1HG2  ILE  30          1HG2      ILE  30   5.232   6.414   1.974
  522   2HG2  ILE  30          2HG2      ILE  30   5.216   6.807   0.242
  523   3HG2  ILE  30          3HG2      ILE  30   5.644   8.053   1.419
  524   1HD1  ILE  30          1HD1      ILE  30   2.109   4.582   0.203
  525   2HD1  ILE  30          2HD1      ILE  30   3.042   5.775  -0.718
  526   3HD1  ILE  30          3HD1      ILE  30   3.817   4.814   0.559
  527    H    ALA  31           H        ALA  31   1.276   7.485   3.884
  528    HA   ALA  31           HA       ALA  31  -0.850   9.005   2.575
  529   1HB   ALA  31          1HB       ALA  31  -1.438   6.927   3.643
  530   2HB   ALA  31          2HB       ALA  31  -0.714   7.418   5.180
  531   3HB   ALA  31          3HB       ALA  31  -2.196   8.199   4.597
  532    H    ASN  32           H        ASN  32   1.134   9.541   5.445
  533    HA   ASN  32           HA       ASN  32  -0.422  11.684   6.557
  534   2HB   ASN  32          2HB       ASN  32   2.486  10.901   6.971
  535   1HD2  ASN  32          1HD2      ASN  32  -0.109  11.691   9.302
  536   2HD2  ASN  32          2HD2      ASN  32   0.709  13.116   9.929
  537    H    ILE  33           H        ILE  33   2.646  11.780   4.700
  538    HA   ILE  33           HA       ILE  33   2.851  14.650   4.701
  539    HB   ILE  33           HB       ILE  33   3.890  12.813   2.542
  540   2HG1  ILE  33          2HG1      ILE  33   4.562  12.637   5.326
  541   1HG2  ILE  33          1HG2      ILE  33   4.831  15.538   3.474
  542   2HG2  ILE  33          2HG2      ILE  33   5.758  14.469   2.388
  543   3HG2  ILE  33          3HG2      ILE  33   4.177  15.061   1.891
  544   1HD1  ILE  33          1HD1      ILE  33   4.699  11.014   3.376
  545   2HD1  ILE  33          2HD1      ILE  33   6.269  11.735   2.992
  546   3HD1  ILE  33          3HD1      ILE  33   6.003  10.930   4.573
  547    H    LEU  34           H        LEU  34   1.159  12.446   2.569
  548    HA   LEU  34           HA       LEU  34   0.431  14.267   0.450
  549   2HB   LEU  34          2HB       LEU  34  -1.497  12.385   0.402
  550    HG   LEU  34           HG       LEU  34  -0.075  12.352  -1.439
  551   1HD1  LEU  34          1HD1      LEU  34   2.320  11.652  -1.387
  552   2HD1  LEU  34          2HD1      LEU  34   2.005  13.191  -0.577
  553   3HD1  LEU  34          3HD1      LEU  34   2.266  11.732   0.394
  554   1HD2  LEU  34          1HD2      LEU  34  -0.958  10.120  -0.818
  555   2HD2  LEU  34          2HD2      LEU  34   0.559  10.032  -1.719
  556   3HD2  LEU  34          3HD2      LEU  34   0.551   9.765   0.034
  557    H    LYS  35           H        LYS  35  -0.726  13.885   3.659
  558    HA   LYS  35           HA       LYS  35  -3.296  15.279   3.088
  559   2HB   LYS  35          2HB       LYS  35  -2.649  13.407   4.941
  560   2HG   LYS  35          2HG       LYS  35  -2.936  15.936   6.616
  561   2HD   LYS  35          2HD       LYS  35  -1.989  14.451   8.395
  562   2HE   LYS  35          2HE       LYS  35  -3.877  12.816   8.605
  563   1HZ   LYS  35          1HZ       LYS  35  -4.241  15.111   9.305
  564   2HZ   LYS  35          2HZ       LYS  35  -4.771  15.532   7.812
  565   3HZ   LYS  35          3HZ       LYS  35  -5.622  14.475   8.718
  566    H    GLU  36           H        GLU  36  -0.087  16.237   3.604
  567    HA   GLU  36           HA       GLU  36  -0.774  18.773   4.987
  568   2HB   GLU  36          2HB       GLU  36   1.616  19.206   4.950
  569   2HG   GLU  36          2HG       GLU  36   1.230  16.307   5.770
  570    H    LYS  37           H        LYS  37  -0.594  17.605   1.744
  571    HA   LYS  37           HA       LYS  37  -0.308  20.414   0.710
  572   2HB   LYS  37          2HB       LYS  37   1.736  19.265   0.416
  573   2HG   LYS  37          2HG       LYS  37   0.227  17.221  -1.244
  574   2HD   LYS  37          2HD       LYS  37   2.708  17.817  -1.785
  575   2HE   LYS  37          2HE       LYS  37   3.097  16.163   0.738
  576   1HZ   LYS  37          1HZ       LYS  37   4.918  16.114  -0.891
  577   2HZ   LYS  37          2HZ       LYS  37   5.027  17.745  -0.878
  578   3HZ   LYS  37          3HZ       LYS  37   5.410  16.893   0.460
  579    HN2  GLY  38           HN2      GLY  38  -2.194  17.397   0.252
  580   1HA   GLY  38          1HA       GLY  38  -4.424  18.899   0.310
  581   2HA   GLY  38          2HA       GLY  38  -4.052  19.027  -1.408
  582    H    PHE  39           H        PHE  39  -3.090  15.932  -0.321
  583    HA   PHE  39           HA       PHE  39  -5.202  14.912  -2.016
  584   2HB   PHE  39          2HB       PHE  39  -3.871  12.878  -2.071
  585    HD1  PHE  39           HD1      PHE  39  -3.968  14.362  -4.232
  586    HD2  PHE  39           HD2      PHE  39  -0.879  14.632  -1.221
  587    HE1  PHE  39           HE1      PHE  39  -2.515  15.504  -5.844
  588    HE2  PHE  39           HE2      PHE  39   0.589  15.776  -2.858
  589    HZ   PHE  39           HZ       PHE  39  -0.215  16.243  -5.167
  590    H    LYS  40           H        LYS  40  -4.552  15.060   1.271
  591    HA   LYS  40           HA       LYS  40  -5.034  13.839   3.182
  592   2HB   LYS  40          2HB       LYS  40  -6.510  15.648   3.187
  593   2HG   LYS  40          2HG       LYS  40  -7.963  14.318   1.015
  594   2HD   LYS  40          2HD       LYS  40 -10.093  15.628   1.838
  595   2HE   LYS  40          2HE       LYS  40  -9.756  13.167   1.167
  596   1HZ   LYS  40          1HZ       LYS  40 -10.115  11.601   2.932
  597   2HZ   LYS  40          2HZ       LYS  40  -8.775  12.423   3.285
  598   3HZ   LYS  40          3HZ       LYS  40 -10.168  12.779   4.084
  599    H    VAL  41           H        VAL  41  -4.512  11.895   1.281
  600    HA   VAL  41           HA       VAL  41  -6.732   9.963   1.387
  601    HB   VAL  41           HB       VAL  41  -5.783   9.969  -0.728
  602   1HG1  VAL  41          1HG1      VAL  41  -3.355   9.416  -1.095
  603   2HG1  VAL  41          2HG1      VAL  41  -3.602  10.977  -0.318
  604   3HG1  VAL  41          3HG1      VAL  41  -3.073   9.574   0.642
  605   1HG2  VAL  41          1HG2      VAL  41  -4.960   7.641  -0.992
  606   2HG2  VAL  41          2HG2      VAL  41  -4.595   7.536   0.709
  607   3HG2  VAL  41          3HG2      VAL  41  -6.284   7.694   0.182
  608    H    ALA  42           H        ALA  42  -6.734   8.119   2.568
  609    HA   ALA  42           HA       ALA  42  -5.144   7.955   4.983
  610   1HB   ALA  42          1HB       ALA  42  -7.605   7.683   4.980
  611   2HB   ALA  42          2HB       ALA  42  -7.451   6.269   3.913
  612   3HB   ALA  42          3HB       ALA  42  -6.807   6.215   5.567
  613    H    ARG  43           H        ARG  43  -4.319   5.928   5.698
  614    HA   ARG  43           HA       ARG  43  -2.341   4.801   3.997
  615   2HB   ARG  43          2HB       ARG  43  -3.324   4.117   6.777
  616   2HG   ARG  43          2HG       ARG  43  -0.846   3.085   6.778
  617   2HD   ARG  43          2HD       ARG  43  -3.494   1.809   6.204
  618    HE   ARG  43           HE       ARG  43  -1.002   0.484   5.517
  619   1HH1  ARG  43          1HH1      ARG  43  -4.022  -0.288   7.023
  620   2HH1  ARG  43          2HH1      ARG  43  -4.018  -1.907   6.365
  621   1HH2  ARG  43          1HH2      ARG  43  -1.083  -1.342   4.634
  622   2HH2  ARG  43          2HH2      ARG  43  -2.455  -2.454   4.812
  623    H    ARG  44           H        ARG  44  -5.615   3.785   4.370
  624    HA   ARG  44           HA       ARG  44  -5.204   0.937   3.700
  625   2HB   ARG  44          2HB       ARG  44  -7.846   1.450   3.155
  626   2HG   ARG  44          2HG       ARG  44  -6.939  -0.226   4.750
  627   2HD   ARG  44          2HD       ARG  44  -5.596   1.366   6.207
  628    HE   ARG  44           HE       ARG  44  -7.611   2.982   6.637
  629   1HH1  ARG  44          1HH1      ARG  44  -6.709   0.496   9.022
  630   2HH1  ARG  44          2HH1      ARG  44  -7.511   1.449  10.272
  631   1HH2  ARG  44          1HH2      ARG  44  -8.433   4.054   8.404
  632   2HH2  ARG  44          2HH2      ARG  44  -8.344   3.228   9.969
  633    H    THR  45           H        THR  45  -5.831   3.934   1.874
  634    HA   THR  45           HA       THR  45  -6.418   2.686  -0.609
  635    HB   THR  45           HB       THR  45  -5.597   5.536   0.086
  636    HG1  THR  45           HG1      THR  45  -7.519   6.042   0.877
  637   1HG2  THR  45          1HG2      THR  45  -7.644   4.469  -1.854
  638   2HG2  THR  45          2HG2      THR  45  -7.161   6.176  -1.646
  639   3HG2  THR  45          3HG2      THR  45  -6.005   5.003  -2.283
  640    H    VAL  46           H        VAL  46  -3.864   4.661   0.860
  641    HA   VAL  46           HA       VAL  46  -2.361   4.821  -1.440
  642    HB   VAL  46           HB       VAL  46  -2.386   6.164   0.847
  643   1HG1  VAL  46          1HG1      VAL  46  -0.352   5.884   2.123
  644   2HG1  VAL  46          2HG1      VAL  46  -1.339   4.403   2.212
  645   3HG1  VAL  46          3HG1      VAL  46   0.110   4.460   1.205
  646   1HG2  VAL  46          1HG2      VAL  46   0.180   5.907  -0.757
  647   2HG2  VAL  46          2HG2      VAL  46  -1.231   6.824  -1.303
  648   3HG2  VAL  46          3HG2      VAL  46  -0.389   7.335   0.155
  649    H    ALA  47           H        ALA  47  -2.477   2.385   1.041
  650    HA   ALA  47           HA       ALA  47  -0.013   1.041   0.633
  651   1HB   ALA  47          1HB       ALA  47  -2.735   0.104   1.674
  652   2HB   ALA  47          2HB       ALA  47  -1.226  -0.833   1.806
  653   3HB   ALA  47          3HB       ALA  47  -1.389   0.710   2.648
  654    H    LYS  48           H        LYS  48  -3.270   0.779  -0.764
  655    HA   LYS  48           HA       LYS  48  -2.662  -1.584  -2.382
  656   2HB   LYS  48          2HB       LYS  48  -4.947  -0.894  -3.416
  657   2HG   LYS  48          2HG       LYS  48  -4.886  -1.404  -0.405
  658   2HD   LYS  48          2HD       LYS  48  -6.779  -2.960  -0.996
  659   2HE   LYS  48          2HE       LYS  48  -7.313  -0.032  -1.665
  660   1HZ   LYS  48          1HZ       LYS  48  -9.185  -1.454  -2.194
  661   2HZ   LYS  48          2HZ       LYS  48  -9.107  -2.215  -0.749
  662   3HZ   LYS  48          3HZ       LYS  48  -9.553  -0.652  -0.814
  663    H    TYR  49           H        TYR  49  -2.087   1.769  -2.742
  664    HA   TYR  49           HA       TYR  49  -1.918   1.681  -5.672
  665   2HB   TYR  49          2HB       TYR  49  -0.908   4.026  -5.213
  666    HD1  TYR  49           HD1      TYR  49  -4.125   2.173  -4.547
  667    HD2  TYR  49           HD2      TYR  49  -2.242   5.759  -5.974
  668    HE1  TYR  49           HE1      TYR  49  -6.219   2.801  -5.744
  669    HE2  TYR  49           HE2      TYR  49  -4.345   6.397  -7.181
  670    HH   TYR  49           HH       TYR  49  -7.011   5.525  -6.521
  671    H    ARG  50           H        ARG  50   0.498   2.121  -3.027
  672    HA   ARG  50           HA       ARG  50   2.756   2.020  -4.808
  673   2HB   ARG  50          2HB       ARG  50   3.142   2.772  -2.584
  674   2HG   ARG  50          2HG       ARG  50   2.236   0.043  -1.651
  675   2HD   ARG  50          2HD       ARG  50   4.396   0.161  -0.683
  676    HE   ARG  50           HE       ARG  50   4.114   3.027  -0.599
  677   1HH1  ARG  50          1HH1      ARG  50   5.601   0.447   1.257
  678   2HH1  ARG  50          2HH1      ARG  50   6.919   1.458   1.775
  679   1HH2  ARG  50          1HH2      ARG  50   5.847   4.271   0.147
  680   2HH2  ARG  50          2HH2      ARG  50   6.994   3.534   1.240
  681    H    GLU  51           H        GLU  51   0.666  -0.453  -3.918
  682    HA   GLU  51           HA       GLU  51   2.394  -2.760  -4.485
  683   2HB   GLU  51          2HB       GLU  51  -0.650  -2.588  -4.375
  684   2HG   GLU  51          2HG       GLU  51  -0.366  -4.922  -3.389
  685    H    MET  52           H        MET  52   0.087  -0.854  -6.395
  686    HA   MET  52           HA       MET  52   0.334  -2.710  -8.696
  687   2HB   MET  52          2HB       MET  52  -1.896  -1.957  -7.939
  688   2HG   MET  52          2HG       MET  52  -1.060   0.705  -9.158
  689   1HE   MET  52          1HE       MET  52  -4.317   2.736  -8.751
  690   2HE   MET  52          2HE       MET  52  -2.905   2.605  -7.677
  691   3HE   MET  52          3HE       MET  52  -2.675   2.691  -9.435
  692    H    LEU  53           H        LEU  53   1.483   0.474  -7.814
  693    HA   LEU  53           HA       LEU  53   2.213   1.337 -10.490
  694   2HB   LEU  53          2HB       LEU  53   3.747   2.895  -8.965
  695    HG   LEU  53           HG       LEU  53   0.825   2.869  -9.578
  696   1HD1  LEU  53          1HD1      LEU  53   1.849   4.741  -7.423
  697   2HD1  LEU  53          2HD1      LEU  53   0.199   4.651  -8.090
  698   3HD1  LEU  53          3HD1      LEU  53   0.816   3.332  -7.129
  699   1HD2  LEU  53          1HD2      LEU  53   1.382   4.877 -10.683
  700   2HD2  LEU  53          2HD2      LEU  53   2.688   5.250  -9.541
  701   3HD2  LEU  53          3HD2      LEU  53   2.882   3.968 -10.766
  702    HN2  GLY  54           HN2      GLY  54   4.324   0.331  -7.799
  703   1HA   GLY  54          1HA       GLY  54   5.650  -1.705  -9.313
  704   2HA   GLY  54          2HA       GLY  54   6.598  -0.235  -9.489
  705    H    ILE  55           H        ILE  55   5.364  -0.189  -6.332
  706    HA   ILE  55           HA       ILE  55   8.027  -0.896  -5.304
  707    HB   ILE  55           HB       ILE  55   5.661   0.593  -4.222
  708   2HG1  ILE  55          2HG1      ILE  55   7.615   1.517  -5.742
  709   1HG2  ILE  55          1HG2      ILE  55   6.376  -0.728  -2.296
  710   2HG2  ILE  55          2HG2      ILE  55   8.081  -0.327  -2.622
  711   3HG2  ILE  55          3HG2      ILE  55   6.928   0.930  -2.089
  712   1HD1  ILE  55          1HD1      ILE  55   7.572   3.696  -4.644
  713   2HD1  ILE  55          2HD1      ILE  55   5.944   2.994  -4.642
  714   3HD1  ILE  55          3HD1      ILE  55   6.927   2.983  -3.154
  715    HA   PRO  56           HA       PRO  56   6.340  -4.850  -3.863
  716   2HB   PRO  56          2HB       PRO  56   8.356  -5.795  -4.373
  717   2HG   PRO  56          2HG       PRO  56  10.353  -4.571  -4.261
  718   2HD   PRO  56          2HD       PRO  56   9.149  -2.848  -5.293
  719    H    SER  57           H        SER  57   8.523  -3.328  -1.496
  720    HA   SER  57           HA       SER  57   6.265  -2.294   0.041
  721   2HB   SER  57          2HB       SER  57   6.650  -4.580   0.981
  722    HG   SER  57           HG       SER  57   8.457  -4.923   2.217
  723    H    SER  58           H        SER  58   9.374  -2.026  -0.990
  724    HA   SER  58           HA       SER  58  11.219  -0.779  -0.688
  725   2HB   SER  58          2HB       SER  58  11.178   1.430   0.281
  726    HG   SER  58           HG       SER  58   8.759   1.033  -1.115
  727    H    ARG  59           H        ARG  59   9.705  -2.037   2.146
  728    HA   ARG  59           HA       ARG  59  11.961  -1.597   3.989
  729   2HB   ARG  59          2HB       ARG  59   9.458  -3.342   3.982
  730   2HG   ARG  59          2HG       ARG  59  11.599  -3.201   6.143
  731   2HD   ARG  59          2HD       ARG  59   8.803  -4.419   6.074
  732    HE   ARG  59           HE       ARG  59   9.710  -6.078   7.364
  733   1HH1  ARG  59          1HH1      ARG  59  11.252  -3.122   8.443
  734   2HH1  ARG  59          2HH1      ARG  59  12.105  -3.952   9.724
  735   1HH2  ARG  59          1HH2      ARG  59  10.885  -7.058   8.928
  736   2HH2  ARG  59          2HH2      ARG  59  11.837  -6.106  10.029
  737    H    GLU  60           H        GLU  60  10.743  -4.026   1.754
  738    HA   GLU  60           HA       GLU  60  12.832  -5.902   2.375
  739   2HB   GLU  60          2HB       GLU  60  10.598  -6.606   1.688
  740   2HG   GLU  60          2HG       GLU  60  10.649  -4.892  -0.435
  741    H    ARG  61           H        ARG  61  12.534  -3.345   0.023
  742    HA   ARG  61           HA       ARG  61  14.915  -3.947  -1.522
  743   2HB   ARG  61          2HB       ARG  61  14.691  -1.623  -2.276
  744   2HG   ARG  61          2HG       ARG  61  11.871  -2.762  -2.065
  745   2HD   ARG  61          2HD       ARG  61  11.815  -2.043  -4.478
  746    HE   ARG  61           HE       ARG  61  11.443  -0.270  -2.385
  747   1HH1  ARG  61          1HH1      ARG  61  12.706   0.207  -5.660
  748   2HH1  ARG  61          2HH1      ARG  61  12.102   1.871  -5.622
  749   1HH2  ARG  61          1HH2      ARG  61  10.735   1.836  -2.580
  750   2HH2  ARG  61          2HH2      ARG  61  11.131   2.678  -4.092
  751    H    ARG  62           H        ARG  62  14.284  -1.895   1.393
  752    HA   ARG  62           HA       ARG  62  16.931  -0.819   1.541
  753   2HB   ARG  62          2HB       ARG  62  14.549  -1.011   3.426
  754   2HG   ARG  62          2HG       ARG  62  16.202   1.354   3.720
  755   2HD   ARG  62          2HD       ARG  62  15.489  -0.941   5.547
  756    HE   ARG  62           HE       ARG  62  16.989   1.523   6.054
  757   1HH1  ARG  62          1HH1      ARG  62  14.771  -0.637   7.691
  758   2HH1  ARG  62          2HH1      ARG  62  15.328  -0.149   9.273
  759   1HH2  ARG  62          1HH2      ARG  62  17.660   2.078   8.064
  760   2HH2  ARG  62          2HH2      ARG  62  16.914   1.368   9.473
  761    H    ILE  63           H        ILE  63  15.241  -3.083   3.649
  762    HA   ILE  63           HA       ILE  63  17.195  -3.326   5.584
  763    HB   ILE  63           HB       ILE  63  14.749  -4.007   5.668
  764   2HG1  ILE  63          2HG1      ILE  63  16.801  -5.764   7.065
  765   1HG2  ILE  63          1HG2      ILE  63  15.775  -6.762   4.873
  766   2HG2  ILE  63          2HG2      ILE  63  14.111  -6.282   5.258
  767   3HG2  ILE  63          3HG2      ILE  63  14.888  -5.684   3.783
  768   1HD1  ILE  63          1HD1      ILE  63  16.214  -4.338   9.024
  769   2HD1  ILE  63          2HD1      ILE  63  16.958  -3.378   7.738
  770   3HD1  ILE  63          3HD1      ILE  63  15.198  -3.325   7.980
  Start of MODEL    9
    1   1H5*    T  64          1H5*        T  64  10.677  -3.832  19.280
    2   2H5*    T  64          2H5*        T  64  10.204  -2.168  18.924
    3    H4*    T  64           H4*        T  64  11.397  -3.055  17.064
    4    H3*    T  64           H3*        T  64   8.456  -2.726  16.454
    5   1H2*    T  64          1H2*        T  64   8.883  -3.431  14.287
    6   2H2*    T  64          2H2*        T  64  10.643  -3.112  14.415
    7    H1*    T  64           H1*        T  64  10.789  -5.331  14.825
    8    H3     T  64           H3         T  64   7.479  -7.967  13.378
    9   1H5M    T  64          1H5M        T  64   4.883  -6.972  17.184
   10   2H5M    T  64          2H5M        T  64   6.233  -7.403  18.259
   11   3H5M    T  64          3H5M        T  64   5.816  -5.696  17.985
   12    H6     T  64           H6         T  64   8.036  -5.087  17.193
   13    H5T    T  64           H5T        T  64   8.495  -3.363  19.914
   14   1H5*    T  65          1H5*        T  65  10.707  -1.137  13.293
   15   2H5*    T  65          2H5*        T  65  10.127   0.400  12.635
   16    H4*    T  65           H4*        T  65  10.208  -1.457  10.922
   17    H3*    T  65           H3*        T  65   7.677  -0.043  11.637
   18   1H2*    T  65          1H2*        T  65   6.308  -1.565  10.807
   19   2H2*    T  65          2H2*        T  65   7.320  -1.869   9.365
   20    H1*    T  65           H1*        T  65   8.351  -3.610  10.267
   21    H3     T  65           H3         T  65   4.945  -6.418  11.198
   22   1H5M    T  65          1H5M        T  65   4.506  -4.670  15.540
   23   2H5M    T  65          2H5M        T  65   5.911  -3.593  15.649
   24   3H5M    T  65          3H5M        T  65   4.373  -2.986  14.991
   25    H6     T  65           H6         T  65   6.822  -2.631  13.521
   26   1H5*    T  66          1H5*        T  66   8.656  -1.014   7.403
   27   2H5*    T  66          2H5*        T  66   8.250   0.213   6.203
   28    H4*    T  66           H4*        T  66   7.671  -2.016   5.401
   29    H3*    T  66           H3*        T  66   5.872   0.158   5.408
   30   1H2*    T  66          1H2*        T  66   4.482  -0.711   7.029
   31   2H2*    T  66          2H2*        T  66   3.729  -1.529   5.647
   32    H1*    T  66           H1*        T  66   5.030  -3.510   5.950
   33    H3     T  66           H3         T  66   2.458  -5.671   9.006
   34   1H5M    T  66          1H5M        T  66   4.279  -2.029  12.029
   35   2H5M    T  66          2H5M        T  66   3.562  -0.769  11.002
   36   3H5M    T  66          3H5M        T  66   2.515  -1.915  11.854
   37    H6     T  66           H6         T  66   4.776  -1.438   9.055
   38   1H5*    T  67          1H5*        T  67   5.122  -3.771   3.574
   39   2H5*    T  67          2H5*        T  67   4.659  -3.685   1.872
   40    H4*    T  67           H4*        T  67   3.857  -5.723   3.058
   41    H3*    T  67           H3*        T  67   2.343  -4.099   1.307
   42   1H2*    T  67          1H2*        T  67   0.843  -3.381   2.986
   43   2H2*    T  67          2H2*        T  67   0.029  -4.928   2.577
   44    H1*    T  67           H1*        T  67   1.229  -6.098   4.305
   45    H3     T  67           H3         T  67  -1.740  -5.167   7.619
   46   1H5M    T  67          1H5M        T  67   1.038  -1.608   8.925
   47   2H5M    T  67          2H5M        T  67   2.077  -1.329   7.526
   48   3H5M    T  67          3H5M        T  67   0.436  -0.654   7.557
   49    H6     T  67           H6         T  67   1.853  -2.687   5.576
   50   1H5*    G  68          1H5*        G  68  -1.075  -7.164  -1.078
   51   2H5*    G  68          2H5*        G  68  -1.555  -5.839  -0.004
   52    H4*    G  68           H4*        G  68  -2.123  -8.815   0.384
   53    H3*    G  68           H3*        G  68  -3.538  -7.154  -1.265
   54    H1*    G  68           H1*        G  68  -4.627  -7.629   2.339
   55    H8     G  68           H8         G  68  -2.586  -4.296   2.117
   56    H1     G  68           H1         G  68  -5.524  -5.490   7.752
   57   1H2     G  68          1H2         G  68  -6.888  -7.283   7.429
   58   2H2     G  68          2H2         G  68  -6.728  -8.246   5.966
   59   1H2*    G  68          1H2*        G  68  -3.872  -5.435   0.375
   60   2H2*    G  68          2H2*        G  68  -5.416  -6.334   0.520
   61   1H5*    G  69          1H5*        G  69  -6.008 -10.595   1.112
   62   2H5*    G  69          2H5*        G  69  -6.805 -11.415  -0.234
   63    H4*    G  69           H4*        G  69  -8.022 -11.810   1.809
   64    H3*    G  69           H3*        G  69  -9.270 -10.994  -0.495
   65    H1*    G  69           H1*        G  69 -10.088  -9.205   2.897
   66    H8     G  69           H8         G  69  -7.952  -7.123   0.388
   67    H1     G  69           H1         G  69  -9.237  -4.267   6.038
   68   1H2     G  69          1H2         G  69 -10.428  -5.672   7.296
   69   2H2     G  69          2H2         G  69 -10.816  -7.270   6.675
   70   1H2*    G  69          1H2*        G  69  -9.477  -8.727  -0.016
   71   2H2*    G  69          2H2*        G  69 -10.987  -9.252   0.760
   72   1H5*    C  70          1H5*        C  70 -12.214 -11.396   3.137
   73   2H5*    C  70          2H5*        C  70 -13.741 -12.152   2.662
   74    H4*    C  70           H4*        C  70 -14.172 -10.324   4.175
   75    H3*    C  70           H3*        C  70 -15.378 -10.404   1.586
   76    H1*    C  70           H1*        C  70 -14.456  -7.536   3.738
   77   1H4     C  70          1H4         C  70 -10.735  -2.677   2.389
   78   2H4     C  70          2H4         C  70 -10.171  -3.393   0.873
   79    H5     C  70           H5         C  70 -10.867  -5.542   0.137
   80    H6     C  70           H6         C  70 -12.315  -7.465   0.643
   81   1H2*    C  70          1H2*        C  70 -14.242  -8.492   0.846
   82   2H2*    C  70          2H2*        C  70 -15.629  -7.673   1.622
   83   1H5*    A  71          1H5*        A  71 -17.719  -8.002   5.346
   84   2H5*    A  71          2H5*        A  71 -19.422  -8.015   4.873
   85    H4*    A  71           H4*        A  71 -18.928  -5.946   6.016
   86    H3*    A  71           H3*        A  71 -19.428  -5.675   3.051
   87    H1*    A  71           H1*        A  71 -17.070  -3.394   5.179
   88    H8     A  71           H8         A  71 -16.812  -5.833   2.199
   89   1H6     A  71          1H6         A  71 -12.848  -1.374   0.154
   90   2H6     A  71          2H6         A  71 -13.376  -3.016  -0.265
   91    H2     A  71           H2         A  71 -14.869   0.159   3.527
   92   1H2*    A  71          1H2*        A  71 -18.982  -3.374   3.150
   93   2H2*    A  71          2H2*        A  71 -19.292  -3.298   4.912
   94   1H5*    C  72          1H5*        C  72 -21.506  -2.895   6.070
   95   2H5*    C  72          2H5*        C  72 -23.119  -2.417   5.524
   96    H4*    C  72           H4*        C  72 -21.909  -0.461   6.327
   97    H3*    C  72           H3*        C  72 -22.251  -0.551   3.319
   98    H1*    C  72           H1*        C  72 -19.420   1.174   5.273
   99   1H4     C  72          1H4         C  72 -15.659   0.096   0.276
  100   2H4     C  72          2H4         C  72 -16.884  -0.876  -0.460
  101    H5     C  72           H5         C  72 -18.775  -1.727   0.733
  102    H6     C  72           H6         C  72 -20.276  -1.269   2.634
  103   1H2*    C  72          1H2*        C  72 -21.252   1.558   3.208
  104   2H2*    C  72          2H2*        C  72 -21.538   1.903   4.941
  105   1H5*    G  73          1H5*        G  73 -23.520   3.282   4.463
  106   2H5*    G  73          2H5*        G  73 -24.964   3.853   3.603
  107    H4*    G  73           H4*        G  73 -23.163   5.466   3.366
  108    H3*    G  73           H3*        G  73 -23.719   3.931   0.816
  109    H1*    G  73           H1*        G  73 -20.212   5.148   1.829
  110    H8     G  73           H8         G  73 -22.284   1.975   1.274
  111    H1     G  73           H1         G  73 -16.812   2.365  -2.129
  112   1H2     G  73          1H2         G  73 -16.356   4.547  -2.406
  113   2H2     G  73          2H2         G  73 -17.100   5.716  -1.312
  114   1H2*    G  73          1H2*        G  73 -22.010   5.283  -0.209
  115   2H2*    G  73          2H2*        G  73 -22.004   6.432   1.163
  116   1H5*    T  74          1H5*        T  74 -22.986   7.809  -0.287
  117   2H5*    T  74          2H5*        T  74 -24.139   8.527  -1.425
  118    H4*    T  74           H4*        T  74 -21.779   8.719  -2.243
  119    H3*    T  74           H3*        T  74 -23.592   6.860  -3.799
  120   1H2*    T  74          1H2*        T  74 -21.760   6.516  -5.277
  121   2H2*    T  74          2H2*        T  74 -20.922   7.986  -4.698
  122    H1*    T  74           H1*        T  74 -19.805   6.672  -3.305
  123    H3     T  74           H3         T  74 -19.418   2.386  -4.954
  124   1H5M    T  74          1H5M        T  74 -24.068   2.091  -3.080
  125   2H5M    T  74          2H5M        T  74 -22.958   1.197  -2.020
  126   3H5M    T  74          3H5M        T  74 -23.592   2.770  -1.506
  127    H6     T  74           H6         T  74 -22.649   4.853  -2.376
  128   1H5*    T  75          1H5*        T  75 -21.229   9.414  -6.264
  129   2H5*    T  75          2H5*        T  75 -22.169  10.278  -7.480
  130    H4*    T  75           H4*        T  75 -20.180   9.231  -8.464
  131    H3*    T  75           H3*        T  75 -22.892   8.869  -9.344
  132   1H2*    T  75          1H2*        T  75 -23.017   6.699  -9.426
  133   2H2*    T  75          2H2*        T  75 -21.879   6.711 -10.792
  134    H1*    T  75           H1*        T  75 -20.102   6.183  -9.517
  135    H3     T  75           H3         T  75 -20.621   1.901  -8.098
  136   1H5M    T  75          1H5M        T  75 -23.886   4.816  -5.130
  137   2H5M    T  75          2H5M        T  75 -24.948   4.385  -6.487
  138   3H5M    T  75          3H5M        T  75 -24.283   3.115  -5.442
  139    H6     T  75           H6         T  75 -22.831   6.102  -7.298
  140   1H5*    T  76          1H5*        T  76 -19.370   8.050 -12.355
  141   2H5*    T  76          2H5*        T  76 -19.719   8.672 -13.977
  142    H4*    T  76           H4*        T  76 -18.661   6.462 -14.111
  143    H3*    T  76           H3*        T  76 -21.443   6.855 -15.089
  144   1H2*    T  76          1H2*        T  76 -22.133   4.751 -14.717
  145   2H2*    T  76          2H2*        T  76 -20.708   4.085 -15.551
  146    H1*    T  76           H1*        T  76 -19.528   3.713 -13.713
  147    H3     T  76           H3         T  76 -21.744   0.800 -10.977
  148   1H5M    T  76          1H5M        T  76 -24.419   5.534 -11.026
  149   2H5M    T  76          2H5M        T  76 -25.304   4.031 -10.659
  150   3H5M    T  76          3H5M        T  76 -24.151   4.711  -9.485
  151    H6     T  76           H6         T  76 -22.588   5.334 -12.382
  152   1H5*    C  77          1H5*        C  77 -18.583   4.068 -17.433
  153   2H5*    C  77          2H5*        C  77 -18.961   3.962 -19.156
  154    H4*    C  77           H4*        C  77 -18.717   1.724 -18.334
  155    H3*    C  77           H3*        C  77 -21.668   2.332 -18.595
  156    H1*    C  77           H1*        C  77 -19.737  -0.165 -16.328
  157   1H4     C  77          1H4         C  77 -24.889  -0.007 -12.660
  158   2H4     C  77          2H4         C  77 -25.369   1.599 -13.229
  159    H5     C  77           H5         C  77 -24.081   2.796 -14.903
  160    H6     C  77           H6         C  77 -22.065   2.608 -16.400
  161    H3T    C  77           H3T        C  77 -20.493   2.355 -20.588
  162   1H2*    C  77          1H2*        C  77 -22.015   0.071 -18.031
  163   2H2*    C  77          2H2*        C  77 -20.357  -0.403 -18.506
  164   1H5*    G  78          1H5*        G  78 -28.456  -9.781 -10.958
  165   2H5*    G  78          2H5*        G  78 -27.496 -10.619  -9.726
  166    H4*    G  78           H4*        G  78 -26.159 -10.464 -11.695
  167    H3*    G  78           H3*        G  78 -25.312  -8.537  -9.522
  168    H1*    G  78           H1*        G  78 -25.015  -7.816 -13.374
  169    H8     G  78           H8         G  78 -27.120  -6.550 -10.535
  170    H1     G  78           H1         G  78 -23.462  -2.026 -13.330
  171   1H2     G  78          1H2         G  78 -21.864  -3.056 -14.484
  172   2H2     G  78          2H2         G  78 -21.900  -4.812 -14.671
  173   1H2*    G  78          1H2*        G  78 -23.769  -7.549 -10.899
  174   2H2*    G  78          2H2*        G  78 -23.637  -8.975 -11.985
  175    H5T    G  78           H5T        G  78 -28.629  -8.799  -8.869
  176   1H5*    A  79          1H5*        A  79 -21.747  -9.905 -11.281
  177   2H5*    A  79          2H5*        A  79 -20.521 -10.366 -10.094
  178    H4*    A  79           H4*        A  79 -19.704  -8.576 -11.627
  179    H3*    A  79           H3*        A  79 -19.971  -8.000  -8.695
  180    H1*    A  79           H1*        A  79 -20.112  -5.618 -11.843
  181    H8     A  79           H8         A  79 -22.806  -6.355  -9.247
  182   1H6     A  79          1H6         A  79 -23.626  -0.111  -9.389
  183   2H6     A  79          2H6         A  79 -24.367  -1.591  -8.764
  184    H2     A  79           H2         A  79 -19.994  -0.954 -11.452
  185   1H2*    A  79          1H2*        A  79 -19.464  -5.791  -9.029
  186   2H2*    A  79          2H2*        A  79 -18.449  -6.132 -10.462
  187   1H5*    A  80          1H5*        A  80 -16.367  -7.145 -11.220
  188   2H5*    A  80          2H5*        A  80 -14.773  -7.345 -10.466
  189    H4*    A  80           H4*        A  80 -14.980  -5.148 -11.719
  190    H3*    A  80           H3*        A  80 -14.601  -5.062  -8.702
  191    H1*    A  80           H1*        A  80 -16.381  -2.526 -11.018
  192    H8     A  80           H8         A  80 -17.437  -4.853  -8.164
  193   1H6     A  80          1H6         A  80 -21.443  -0.159  -6.869
  194   2H6     A  80          2H6         A  80 -21.075  -1.824  -6.411
  195    H2     A  80           H2         A  80 -18.679   1.253  -9.800
  196   1H2*    A  80          1H2*        A  80 -14.765  -2.783  -8.815
  197   2H2*    A  80          2H2*        A  80 -14.276  -2.701 -10.525
  198   1H5*    A  81          1H5*        A  81 -12.075  -2.228 -10.818
  199   2H5*    A  81          2H5*        A  81 -10.471  -2.038 -10.094
  200    H4*    A  81           H4*        A  81 -11.696   0.145 -10.188
  201    H3*    A  81           H3*        A  81 -10.915  -1.096  -7.576
  202    H1*    A  81           H1*        A  81 -13.818   1.366  -8.520
  203    H8     A  81           H8         A  81 -14.036  -2.193  -7.017
  204   1H6     A  81          1H6         A  81 -19.384  -0.034  -4.509
  205   2H6     A  81          2H6         A  81 -18.317  -1.439  -4.513
  206    H2     A  81           H2         A  81 -17.771   3.043  -7.046
  207   1H2*    A  81          1H2*        A  81 -12.372   0.053  -6.345
  208   2H2*    A  81          2H2*        A  81 -12.087   1.570  -7.246
  209   1H5*    C  82          1H5*        C  82 -10.682   3.273  -8.591
  210   2H5*    C  82          2H5*        C  82  -9.271   4.152  -8.000
  211    H4*    C  82           H4*        C  82 -11.271   5.521  -7.827
  212    H3*    C  82           H3*        C  82  -9.654   4.856  -5.537
  213    H1*    C  82           H1*        C  82 -13.486   5.473  -5.635
  214   1H4     C  82          1H4         C  82 -16.775   0.868  -2.994
  215   2H4     C  82          2H4         C  82 -15.356  -0.135  -2.996
  216    H5     C  82           H5         C  82 -13.301   0.419  -4.179
  217    H6     C  82           H6         C  82 -12.020   2.268  -5.174
  218   1H2*    C  82          1H2*        C  82 -11.196   4.182  -4.160
  219   2H2*    C  82          2H2*        C  82 -11.785   5.857  -4.045
  220   1H5*    G  83          1H5*        G  83  -8.475   7.666  -2.493
  221   2H5*    G  83          2H5*        G  83  -9.489   6.193  -2.532
  222    H4*    G  83           H4*        G  83 -10.159   8.912  -1.406
  223    H3*    G  83           H3*        G  83  -8.698   7.507   0.080
  224    H1*    G  83           H1*        G  83 -12.483   6.653   0.407
  225    H8     G  83           H8         G  83 -10.383   4.274  -1.841
  226    H1     G  83           H1         G  83 -15.764   1.722   0.639
  227   1H2     G  83          1H2         G  83 -16.572   3.171   2.137
  228   2H2     G  83          2H2         G  83 -15.984   4.830   2.168
  229   1H2*    G  83          1H2*        G  83  -9.778   5.412  -0.063
  230   2H2*    G  83          2H2*        G  83 -10.513   6.005   1.440
  231   1H5*    T  84          1H5*        T  84 -12.331   7.898   3.018
  232   2H5*    T  84          2H5*        T  84 -11.665   8.606   4.507
  233    H4*    T  84           H4*        T  84 -12.804   6.627   5.171
  234    H3*    T  84           H3*        T  84  -9.950   6.777   5.557
  235   1H2*    T  84          1H2*        T  84  -9.525   5.035   4.058
  236   2H2*    T  84          2H2*        T  84  -9.834   4.035   5.511
  237    H1*    T  84           H1*        T  84 -12.185   3.879   4.997
  238    H3     T  84           H3         T  84 -13.046   0.509   2.129
  239   1H5M    T  84          1H5M        T  84  -8.252   1.606   0.916
  240   2H5M    T  84          2H5M        T  84  -9.355   1.483  -0.472
  241   3H5M    T  84          3H5M        T  84  -8.866   3.076   0.110
  242    H6     T  84           H6         T  84  -9.607   3.876   2.266
  243   1H5*    G  85          1H5*        G  85 -13.026   4.990   8.933
  244   2H5*    G  85          2H5*        G  85 -12.121   5.134  10.452
  245    H4*    G  85           H4*        G  85 -13.581   3.223  10.667
  246    H3*    G  85           H3*        G  85 -10.666   2.777  10.440
  247    H1*    G  85           H1*        G  85 -13.491   0.379   8.986
  248    H8     G  85           H8         G  85 -10.851   2.563   7.206
  249    H1     G  85           H1         G  85 -12.158  -3.076   4.355
  250   1H2     G  85          1H2         G  85 -13.595  -4.206   5.660
  251   2H2     G  85          2H2         G  85 -14.159  -3.494   7.171
  252   1H2*    G  85          1H2*        G  85 -10.674   0.747   9.563
  253   2H2*    G  85          2H2*        G  85 -11.984   0.177  10.636
  254   1H5*    C  86          1H5*        C  86 -12.648  -0.244  13.069
  255   2H5*    C  86          2H5*        C  86 -11.734  -0.486  14.566
  256    H4*    C  86           H4*        C  86 -12.398  -2.636  13.586
  257    H3*    C  86           H3*        C  86  -9.566  -1.890  13.954
  258    H1*    C  86           H1*        C  86 -11.263  -4.243  11.259
  259   1H4     C  86          1H4         C  86  -8.756  -2.536   5.643
  260   2H4     C  86          2H4         C  86  -8.203  -1.050   6.342
  261    H5     C  86           H5         C  86  -8.537  -0.361   8.573
  262    H6     C  86           H6         C  86  -9.404  -1.052  10.765
  263   1H2*    C  86          1H2*        C  86  -8.727  -2.988  12.184
  264   2H2*    C  86          2H2*        C  86  -9.530  -4.494  12.679
  265   1H5*    C  87          1H5*        C  87 -10.876  -6.299  14.734
  266   2H5*    C  87          2H5*        C  87  -9.872  -7.105  15.950
  267    H4*    C  87           H4*        C  87 -10.161  -8.546  14.001
  268    H3*    C  87           H3*        C  87  -7.372  -7.402  14.316
  269    H1*    C  87           H1*        C  87  -9.215  -8.465  11.055
  270   1H4     C  87          1H4         C  87  -6.608  -3.806   7.756
  271   2H4     C  87          2H4         C  87  -6.037  -3.017   9.205
  272    H5     C  87           H5         C  87  -6.249  -3.895  11.305
  273    H6     C  87           H6         C  87  -7.190  -5.746  12.695
  274   1H2*    C  87          1H2*        C  87  -6.733  -8.621  12.375
  275   2H2*    C  87          2H2*        C  87  -8.115  -9.732  12.526
  276   1H5*    A  88          1H5*        A  88  -7.395 -11.522  13.605
  277   2H5*    A  88          2H5*        A  88  -6.324 -12.529  14.573
  278    H4*    A  88           H4*        A  88  -6.164 -12.862  12.102
  279    H3*    A  88           H3*        A  88  -4.065 -12.903  13.918
  280    H1*    A  88           H1*        A  88  -3.808 -11.017  10.495
  281    H8     A  88           H8         A  88  -4.422  -8.729  13.608
  282   1H6     A  88          1H6         A  88  -2.547  -4.166   9.772
  283   2H6     A  88          2H6         A  88  -3.171  -4.474  11.396
  284    H2     A  88           H2         A  88  -2.454  -7.816   7.514
  285   1H2*    A  88          1H2*        A  88  -3.213 -10.797  13.456
  286   2H2*    A  88          2H2*        A  88  -2.322 -11.671  12.194
  287   1H5*    A  89          1H5*        A  89  -3.650 -13.709   9.433
  288   2H5*    A  89          2H5*        A  89  -2.900 -15.285   9.183
  289    H4*    A  89           H4*        A  89  -2.571 -13.830   7.260
  290    H3*    A  89           H3*        A  89  -0.553 -15.304   8.441
  291    H1*    A  89           H1*        A  89  -0.026 -11.658   7.319
  292    H8     A  89           H8         A  89  -0.257 -12.112  11.189
  293   1H6     A  89          1H6         A  89   1.108  -5.994  11.253
  294   2H6     A  89          2H6         A  89   0.732  -7.358  12.310
  295    H2     A  89           H2         A  89   0.843  -7.227   7.131
  296   1H2*    A  89          1H2*        A  89   0.495 -13.584   9.590
  297   2H2*    A  89          2H2*        A  89   1.359 -13.388   8.039
  298   1H5*    A  90          1H5*        A  90   1.191 -12.902   4.816
  299   2H5*    A  90          2H5*        A  90   2.102 -14.019   3.792
  300    H4*    A  90           H4*        A  90   3.361 -11.988   3.992
  301    H3*    A  90           H3*        A  90   4.451 -14.485   4.944
  302    H1*    A  90           H1*        A  90   5.063 -10.879   6.151
  303    H8     A  90           H8         A  90   3.465 -13.207   8.848
  304   1H6     A  90          1H6         A  90   3.598  -7.983  12.342
  305   2H6     A  90          2H6         A  90   3.040  -9.656  12.356
  306    H2     A  90           H2         A  90   5.523  -7.097   8.611
  307   1H2*    A  90          1H2*        A  90   4.838 -13.767   7.084
  308   2H2*    A  90          2H2*        A  90   6.250 -12.929   6.386
  309   1H5*    A  91          1H5*        A  91   7.458 -11.064   3.481
  310   2H5*    A  91          2H5*        A  91   8.988 -11.761   2.929
  311    H4*    A  91           H4*        A  91   9.465  -9.856   4.342
  312    H3*    A  91           H3*        A  91   9.950 -12.475   5.826
  313    H1*    A  91           H1*        A  91   9.094  -8.914   7.032
  314    H8     A  91           H8         A  91   8.065 -12.543   7.812
  315   1H6     A  91          1H6         A  91   6.239  -9.928  13.264
  316   2H6     A  91          2H6         A  91   6.285 -11.488  12.439
  317    H2     A  91           H2         A  91   8.052  -6.877  10.860
  318    H3T    A  91           H3T        A  91  11.360 -12.106   4.042
  319   1H2*    A  91          1H2*        A  91  10.717 -11.222   7.636
  320   2H2*    A  91          2H2*        A  91  11.123  -9.807   6.617
  321   1H    HIS   1          1H        HIS   1 -14.981   8.041  -2.870
  322   2H    HIS   1          2H        HIS   1 -13.552   7.560  -2.212
  323   3H    HIS   1          3H        HIS   1 -14.244   6.684  -3.422
  324    HA   HIS   1           HA       HIS   1 -12.358   8.027  -4.180
  325   2HB   HIS   1          2HB       HIS   1 -13.735   7.487  -5.956
  326    HD1  HIS   1           HD1      HIS   1 -16.181   6.451  -5.142
  327    HD2  HIS   1           HD2      HIS   1 -15.891  10.611  -5.863
  328    HE1  HIS   1           HE1      HIS   1 -18.559   7.297  -5.430
  329    H    MET   2           H        MET   2 -11.207   9.804  -3.871
  330    HA   MET   2           HA       MET   2 -12.567  12.322  -2.929
  331   2HB   MET   2          2HB       MET   2 -10.574  12.735  -1.495
  332   2HG   MET   2          2HG       MET   2 -10.966  11.000   0.231
  333   1HE   MET   2          1HE       MET   2 -14.014   9.966   0.679
  334   2HE   MET   2          2HE       MET   2 -12.960  10.658   1.929
  335   3HE   MET   2          3HE       MET   2 -14.599  11.310   1.681
  336    H    LEU   3           H        LEU   3 -10.092  10.939  -5.072
  337    HA   LEU   3           HA       LEU   3  -9.160  13.639  -5.840
  338   2HB   LEU   3          2HB       LEU   3  -7.009  12.274  -6.248
  339    HG   LEU   3           HG       LEU   3  -7.988  12.291  -3.370
  340   1HD1  LEU   3          1HD1      LEU   3  -5.747  12.089  -2.732
  341   2HD1  LEU   3          2HD1      LEU   3  -5.909  10.947  -4.060
  342   3HD1  LEU   3          3HD1      LEU   3  -5.130  12.493  -4.385
  343   1HD2  LEU   3          1HD2      LEU   3  -8.136  14.563  -4.220
  344   2HD2  LEU   3          2HD2      LEU   3  -6.638  14.451  -3.312
  345   3HD2  LEU   3          3HD2      LEU   3  -6.602  14.377  -5.096
  346    H    THR   4           H        THR   4  -7.656  13.080  -7.871
  347    HA   THR   4           HA       THR   4  -9.550  12.913 -10.096
  348    HB   THR   4           HB       THR   4  -7.697  13.487 -11.542
  349    HG1  THR   4           HG1      THR   4  -5.631  13.741 -10.598
  350   1HG2  THR   4          1HG2      THR   4  -8.679  15.343 -10.286
  351   2HG2  THR   4          2HG2      THR   4  -7.499  15.101  -8.981
  352   3HG2  THR   4          3HG2      THR   4  -6.951  15.596 -10.594
  353    H    GLN   5           H        GLN   5  -8.053  11.756 -12.150
  354    HA   GLN   5           HA       GLN   5  -8.531   9.003 -12.131
  355   2HB   GLN   5          2HB       GLN   5  -8.072  10.373 -14.109
  356   2HG   GLN   5          2HG       GLN   5  -5.130  10.234 -13.311
  357   1HE2  GLN   5          1HE2      GLN   5  -6.921  12.497 -15.472
  358   2HE2  GLN   5          2HE2      GLN   5  -6.019  12.011 -16.906
  359    HN2  GLY   6           HN2      GLY   6  -5.815  10.678 -10.626
  360   1HA   GLY   6          1HA       GLY   6  -5.371   8.556  -8.838
  361   2HA   GLY   6          2HA       GLY   6  -4.170   8.379 -10.124
  362    H    GLU   7           H        GLU   7  -5.450  11.253  -8.221
  363    HA   GLU   7           HA       GLU   7  -2.975  12.614  -8.435
  364   2HB   GLU   7          2HB       GLU   7  -4.570  13.589  -6.220
  365   2HG   GLU   7          2HG       GLU   7  -4.250  14.553  -9.082
  366    H    LEU   8           H        LEU   8  -3.863  10.151  -6.330
  367    HA   LEU   8           HA       LEU   8  -1.436  10.693  -4.640
  368   2HB   LEU   8          2HB       LEU   8  -3.623  10.448  -3.482
  369    HG   LEU   8           HG       LEU   8  -4.052   8.165  -5.004
  370   1HD1  LEU   8          1HD1      LEU   8  -3.133   7.373  -2.177
  371   2HD1  LEU   8          2HD1      LEU   8  -3.859   6.262  -3.325
  372   3HD1  LEU   8          3HD1      LEU   8  -2.262   6.955  -3.671
  373   1HD2  LEU   8          1HD2      LEU   8  -5.997   8.818  -4.098
  374   2HD2  LEU   8          2HD2      LEU   8  -5.665   7.520  -2.951
  375   3HD2  LEU   8          3HD2      LEU   8  -5.288   9.196  -2.512
  376    H    MET   9           H        MET   9  -2.496   8.754  -7.258
  377    HA   MET   9           HA       MET   9  -0.932   6.335  -6.691
  378   2HB   MET   9          2HB       MET   9  -2.971   7.222  -8.661
  379   2HG   MET   9          2HG       MET   9  -0.608   5.622  -9.531
  380   1HE   MET   9          1HE       MET   9  -4.562   5.845 -10.047
  381   2HE   MET   9          2HE       MET   9  -3.865   6.434 -11.580
  382   3HE   MET   9          3HE       MET   9  -4.734   4.884 -11.530
  383    H    LYS  10           H        LYS  10  -0.808   8.915  -9.134
  384    HA   LYS  10           HA       LYS  10   1.776   7.981 -10.123
  385   2HB   LYS  10          2HB       LYS  10   0.073   8.746 -11.619
  386   2HG   LYS  10          2HG       LYS  10   0.430  11.644 -11.026
  387   2HD   LYS  10          2HD       LYS  10  -2.086  10.037 -11.650
  388   2HE   LYS  10          2HE       LYS  10  -2.425  12.309 -10.691
  389   1HZ   LYS  10          1HZ       LYS  10  -1.141  13.216 -13.219
  390   2HZ   LYS  10          2HZ       LYS  10  -0.531  13.458 -11.723
  391   3HZ   LYS  10          3HZ       LYS  10  -1.924  14.185 -12.164
  392    H    LEU  11           H        LEU  11   1.558   9.055  -7.352
  393    HA   LEU  11           HA       LEU  11   3.665  11.160  -7.249
  394   2HB   LEU  11          2HB       LEU  11   2.448  11.960  -5.174
  395    HG   LEU  11           HG       LEU  11   0.752  13.311  -6.143
  396   1HD1  LEU  11          1HD1      LEU  11   1.996  14.432  -7.913
  397   2HD1  LEU  11          2HD1      LEU  11   3.124  13.880  -6.652
  398   3HD1  LEU  11          3HD1      LEU  11   2.979  12.977  -8.184
  399   1HD2  LEU  11          1HD2      LEU  11   1.025  11.986  -8.825
  400   2HD2  LEU  11          2HD2      LEU  11  -0.133  11.349  -7.649
  401   3HD2  LEU  11          3HD2      LEU  11  -0.267  13.030  -8.230
  402    H    ILE  12           H        ILE  12   2.047   8.404  -5.521
  403    HA   ILE  12           HA       ILE  12   3.936   8.390  -3.349
  404    HB   ILE  12           HB       ILE  12   3.291   5.983  -3.105
  405   2HG1  ILE  12          2HG1      ILE  12   2.456   6.021  -5.745
  406   1HG2  ILE  12          1HG2      ILE  12   1.183   8.154  -3.125
  407   2HG2  ILE  12          2HG2      ILE  12   0.879   6.528  -2.507
  408   3HG2  ILE  12          3HG2      ILE  12   2.139   7.549  -1.764
  409   1HD1  ILE  12          1HD1      ILE  12   1.249   3.905  -5.150
  410   2HD1  ILE  12          2HD1      ILE  12   2.848   3.997  -4.390
  411   3HD1  ILE  12          3HD1      ILE  12   1.375   4.328  -3.442
  412    H    LYS  13           H        LYS  13   4.118   7.048  -6.581
  413    HA   LYS  13           HA       LYS  13   6.705   5.662  -6.011
  414   2HB   LYS  13          2HB       LYS  13   5.141   4.557  -7.454
  415   2HG   LYS  13          2HG       LYS  13   4.190   6.747  -8.565
  416   2HD   LYS  13          2HD       LYS  13   6.348   5.940 -10.574
  417   2HE   LYS  13          2HE       LYS  13   4.151   8.051 -10.677
  418   1HZ   LYS  13          1HZ       LYS  13   6.138   7.248 -12.730
  419   2HZ   LYS  13          2HZ       LYS  13   4.940   8.335 -12.949
  420   3HZ   LYS  13          3HZ       LYS  13   6.158   8.663 -11.906
  421    H    GLU  14           H        GLU  14   5.829   8.760  -6.742
  422    HA   GLU  14           HA       GLU  14   8.175   9.404  -8.465
  423   2HB   GLU  14          2HB       GLU  14   5.811  11.199  -7.834
  424   2HG   GLU  14          2HG       GLU  14   7.651  12.310  -9.052
  425    H    ILE  15           H        ILE  15   7.096   9.674  -5.189
  426    HA   ILE  15           HA       ILE  15   9.311  11.571  -4.600
  427    HB   ILE  15           HB       ILE  15   8.361  11.965  -2.477
  428   2HG1  ILE  15          2HG1      ILE  15   6.615   9.634  -3.064
  429   1HG2  ILE  15          1HG2      ILE  15   6.186  12.306  -4.576
  430   2HG2  ILE  15          2HG2      ILE  15   6.410  13.254  -3.094
  431   3HG2  ILE  15          3HG2      ILE  15   7.618  13.340  -4.387
  432   1HD1  ILE  15          1HD1      ILE  15   7.295  11.114  -0.486
  433   2HD1  ILE  15          2HD1      ILE  15   6.551   9.506  -0.625
  434   3HD1  ILE  15          3HD1      ILE  15   8.227   9.762  -1.164
  435    H    VAL  16           H        VAL  16   7.854   8.351  -3.615
  436    HA   VAL  16           HA       VAL  16  10.020   7.888  -1.870
  437    HB   VAL  16           HB       VAL  16   8.271   5.742  -3.139
  438   1HG1  VAL  16          1HG1      VAL  16  10.224   4.736  -2.156
  439   2HG1  VAL  16          2HG1      VAL  16  10.174   5.836  -0.771
  440   3HG1  VAL  16          3HG1      VAL  16   8.939   4.557  -0.952
  441   1HG2  VAL  16          1HG2      VAL  16   6.975   5.853  -1.061
  442   2HG2  VAL  16          2HG2      VAL  16   7.990   7.181  -0.454
  443   3HG2  VAL  16          3HG2      VAL  16   6.934   7.431  -1.841
  444    H    GLU  17           H        GLU  17   9.761   7.288  -5.353
  445    HA   GLU  17           HA       GLU  17  12.279   5.676  -5.321
  446   2HB   GLU  17          2HB       GLU  17  12.124   5.719  -7.801
  447   2HG   GLU  17          2HG       GLU  17   9.849   4.698  -8.162
  448    H    ASN  18           H        ASN  18  11.670   8.887  -4.898
  449    HA   ASN  18           HA       ASN  18  14.091   9.808  -6.298
  450   2HB   ASN  18          2HB       ASN  18  11.836  11.611  -5.391
  451   1HD2  ASN  18          1HD2      ASN  18  13.324  10.482  -8.415
  452   2HD2  ASN  18          2HD2      ASN  18  13.972  12.052  -8.884
  453    H    GLU  19           H        GLU  19  12.949   9.158  -3.143
  454    HA   GLU  19           HA       GLU  19  14.391  11.496  -1.961
  455   2HB   GLU  19          2HB       GLU  19  13.128  10.722   0.146
  456   2HG   GLU  19          2HG       GLU  19  10.856  11.455  -0.735
  457    H    ASP  20           H        ASP  20  13.975   8.622  -0.056
  458    HA   ASP  20           HA       ASP  20  16.887   8.065  -0.148
  459   2HB   ASP  20          2HB       ASP  20  16.852   7.936   2.379
  460    H    LYS  21           H        LYS  21  16.213   6.273  -1.361
  461    HA   LYS  21           HA       LYS  21  14.567   4.141  -0.355
  462   2HB   LYS  21          2HB       LYS  21  15.769   2.743  -2.046
  463   2HG   LYS  21          2HG       LYS  21  14.893   5.495  -3.035
  464   2HD   LYS  21          2HD       LYS  21  15.959   4.096  -4.812
  465   2HE   LYS  21          2HE       LYS  21  13.696   2.197  -4.055
  466   1HZ   LYS  21          1HZ       LYS  21  13.709   2.478  -6.422
  467   2HZ   LYS  21          2HZ       LYS  21  14.351   1.008  -6.091
  468   3HZ   LYS  21          3HZ       LYS  21  15.331   2.246  -6.528
  469    H    ARG  22           H        ARG  22  17.701   5.038   0.588
  470    HA   ARG  22           HA       ARG  22  18.325   2.575   2.107
  471   2HB   ARG  22          2HB       ARG  22  20.190   3.847   1.188
  472   2HG   ARG  22          2HG       ARG  22  20.842   5.924   2.695
  473   2HD   ARG  22          2HD       ARG  22  18.958   6.230   0.329
  474    HE   ARG  22           HE       ARG  22  19.170   8.445   1.170
  475   1HH1  ARG  22          1HH1      ARG  22  22.415   7.162   0.717
  476   2HH1  ARG  22          2HH1      ARG  22  23.098   8.766   0.840
  477   1HH2  ARG  22          1HH2      ARG  22  20.025  10.274   1.308
  478   2HH2  ARG  22          2HH2      ARG  22  21.769  10.544   1.169
  479    H    LYS  23           H        LYS  23  16.306   5.212   2.674
  480    HA   LYS  23           HA       LYS  23  15.753   4.360   5.466
  481   2HB   LYS  23          2HB       LYS  23  15.683   6.725   6.250
  482   2HG   LYS  23          2HG       LYS  23  18.472   5.980   5.269
  483   2HD   LYS  23          2HD       LYS  23  19.185   7.176   7.335
  484   2HE   LYS  23          2HE       LYS  23  17.616   8.914   5.383
  485   1HZ   LYS  23          1HZ       LYS  23  19.955   9.562   7.094
  486   2HZ   LYS  23          2HZ       LYS  23  19.268  10.572   6.005
  487   3HZ   LYS  23          3HZ       LYS  23  18.433  10.116   7.332
  488    HA   PRO  24           HA       PRO  24  12.475   5.255   2.314
  489   2HB   PRO  24          2HB       PRO  24  12.629   3.056   1.569
  490   2HG   PRO  24          2HG       PRO  24  12.903   1.245   3.105
  491   2HD   PRO  24          2HD       PRO  24  14.716   2.643   3.423
  492    H    TYR  25           H        TYR  25  10.132   5.483   2.341
  493    HA   TYR  25           HA       TYR  25   8.908   6.111   4.947
  494   2HB   TYR  25          2HB       TYR  25   7.019   6.885   3.637
  495    HD1  TYR  25           HD2      TYR  25   9.653   7.188   1.041
  496    HD2  TYR  25           HD1      TYR  25   7.729   9.006   4.432
  497    HE1  TYR  25           HE2      TYR  25  10.739   9.341   0.472
  498    HE2  TYR  25           HE1      TYR  25   8.888  11.163   3.930
  499    HH   TYR  25           HH       TYR  25  10.308  12.247   2.559
  500    H    SER  26           H        SER  26   6.390   5.359   4.792
  501    HA   SER  26           HA       SER  26   6.075   2.491   4.142
  502   2HB   SER  26          2HB       SER  26   6.689   2.547   6.539
  503    HG   SER  26           HG       SER  26   5.374   3.590   7.992
  504    H    ASP  27           H        ASP  27   3.645   1.936   4.232
  505    HA   ASP  27           HA       ASP  27   2.057   3.797   2.885
  506   2HB   ASP  27          2HB       ASP  27   1.527   1.507   2.804
  507    H    GLN  28           H        GLN  28   2.467   3.630   6.446
  508    HA   GLN  28           HA       GLN  28   0.414   5.612   6.980
  509   2HB   GLN  28          2HB       GLN  28   2.814   4.599   8.536
  510   2HG   GLN  28          2HG       GLN  28   2.415   6.866   9.305
  511   1HE2  GLN  28          1HE2      GLN  28   0.716   8.119   8.127
  512   2HE2  GLN  28          2HE2      GLN  28  -0.905   8.183   8.816
  513    H    GLU  29           H        GLU  29   4.032   5.834   6.599
  514    HA   GLU  29           HA       GLU  29   4.045   8.640   7.039
  515   2HB   GLU  29          2HB       GLU  29   6.346   8.435   6.047
  516   2HG   GLU  29          2HG       GLU  29   7.289   6.874   7.749
  517    H    ILE  30           H        ILE  30   4.043   6.856   3.896
  518    HA   ILE  30           HA       ILE  30   3.986   9.278   2.334
  519    HB   ILE  30           HB       ILE  30   3.326   8.040   0.461
  520   2HG1  ILE  30          2HG1      ILE  30   1.608   6.620   1.176
  521   1HG2  ILE  30          1HG2      ILE  30   5.280   6.324   2.012
  522   2HG2  ILE  30          2HG2      ILE  30   5.220   6.625   0.266
  523   3HG2  ILE  30          3HG2      ILE  30   5.675   7.933   1.356
  524   1HD1  ILE  30          1HD1      ILE  30   2.127   4.408   0.355
  525   2HD1  ILE  30          2HD1      ILE  30   3.007   5.579  -0.642
  526   3HD1  ILE  30          3HD1      ILE  30   3.856   4.649   0.620
  527    H    ALA  31           H        ALA  31   1.344   7.516   3.939
  528    HA   ALA  31           HA       ALA  31  -0.776   9.056   2.633
  529   1HB   ALA  31          1HB       ALA  31  -1.368   7.006   3.742
  530   2HB   ALA  31          2HB       ALA  31  -0.607   7.508   5.263
  531   3HB   ALA  31          3HB       ALA  31  -2.087   8.306   4.694
  532    H    ASN  32           H        ASN  32   1.297   9.573   5.435
  533    HA   ASN  32           HA       ASN  32  -0.175  11.768   6.557
  534   2HB   ASN  32          2HB       ASN  32   2.729  10.942   6.942
  535   1HD2  ASN  32          1HD2      ASN  32   3.740  12.720   7.900
  536   2HD2  ASN  32          2HD2      ASN  32   2.976  13.683   9.158
  537    H    ILE  33           H        ILE  33   2.862  11.750   4.629
  538    HA   ILE  33           HA       ILE  33   3.120  14.622   4.580
  539    HB   ILE  33           HB       ILE  33   4.076  12.769   2.400
  540   2HG1  ILE  33          2HG1      ILE  33   4.825  12.535   5.167
  541   1HG2  ILE  33          1HG2      ILE  33   4.380  15.057   1.823
  542   2HG2  ILE  33          2HG2      ILE  33   5.144  15.431   3.382
  543   3HG2  ILE  33          3HG2      ILE  33   5.958  14.373   2.196
  544   1HD1  ILE  33          1HD1      ILE  33   6.197  10.800   4.345
  545   2HD1  ILE  33          2HD1      ILE  33   4.849  10.928   3.198
  546   3HD1  ILE  33          3HD1      ILE  33   6.421  11.611   2.761
  547    H    LEU  34           H        LEU  34   1.353  12.402   2.527
  548    HA   LEU  34           HA       LEU  34   0.611  14.191   0.389
  549   2HB   LEU  34          2HB       LEU  34  -1.375  12.371   0.429
  550    HG   LEU  34           HG       LEU  34  -0.011  12.260  -1.455
  551   1HD1  LEU  34          1HD1      LEU  34   2.113  13.057  -0.668
  552   2HD1  LEU  34          2HD1      LEU  34   2.362  11.617   0.332
  553   3HD1  LEU  34          3HD1      LEU  34   2.372  11.490  -1.445
  554   1HD2  LEU  34          1HD2      LEU  34   0.547   9.917  -1.720
  555   2HD2  LEU  34          2HD2      LEU  34   0.571   9.671   0.033
  556   3HD2  LEU  34          3HD2      LEU  34  -0.947  10.069  -0.783
  557    H    LYS  35           H        LYS  35  -0.497  13.909   3.620
  558    HA   LYS  35           HA       LYS  35  -3.052  15.338   3.076
  559   2HB   LYS  35          2HB       LYS  35  -2.378  13.512   4.976
  560   2HG   LYS  35          2HG       LYS  35  -2.613  16.097   6.558
  561   2HD   LYS  35          2HD       LYS  35  -1.532  13.354   7.302
  562   2HE   LYS  35          2HE       LYS  35  -2.310  15.739   9.040
  563   1HZ   LYS  35          1HZ       LYS  35  -0.779  13.294   9.721
  564   2HZ   LYS  35          2HZ       LYS  35  -1.224  14.470  10.761
  565   3HZ   LYS  35          3HZ       LYS  35  -2.368  13.506  10.104
  566    H    GLU  36           H        GLU  36   0.187  16.241   3.506
  567    HA   GLU  36           HA       GLU  36  -0.425  18.834   4.818
  568   2HB   GLU  36          2HB       GLU  36   1.969  19.200   4.791
  569   2HG   GLU  36          2HG       GLU  36   1.518  16.316   5.648
  570    H    LYS  37           H        LYS  37  -0.292  17.578   1.607
  571    HA   LYS  37           HA       LYS  37   0.062  20.356   0.513
  572   2HB   LYS  37          2HB       LYS  37   2.070  19.126   0.231
  573   2HG   LYS  37          2HG       LYS  37   0.467  17.135  -1.396
  574   2HD   LYS  37          2HD       LYS  37   2.958  17.671  -1.988
  575   2HE   LYS  37          2HE       LYS  37   3.355  15.943   0.478
  576   1HZ   LYS  37          1HZ       LYS  37   5.668  16.632   0.180
  577   2HZ   LYS  37          2HZ       LYS  37   5.285  17.543  -1.116
  578   3HZ   LYS  37          3HZ       LYS  37   5.139  15.915  -1.189
  579    HN2  GLY  38           HN2      GLY  38  -1.936  17.402   0.148
  580   1HA   GLY  38          1HA       GLY  38  -4.110  19.005   0.095
  581   2HA   GLY  38          2HA       GLY  38  -3.706  19.008  -1.619
  582    H    PHE  39           H        PHE  39  -2.891  15.955  -0.337
  583    HA   PHE  39           HA       PHE  39  -5.043  14.922  -2.000
  584   2HB   PHE  39          2HB       PHE  39  -3.757  12.865  -2.007
  585    HD1  PHE  39           HD2      PHE  39  -3.885  14.336  -4.175
  586    HD2  PHE  39           HD1      PHE  39  -0.697  14.554  -1.269
  587    HE1  PHE  39           HE2      PHE  39  -2.439  15.387  -5.856
  588    HE2  PHE  39           HE1      PHE  39   0.762  15.604  -2.971
  589    HZ   PHE  39           HZ       PHE  39  -0.093  16.048  -5.270
  590    H    LYS  40           H        LYS  40  -4.458  15.254   1.268
  591    HA   LYS  40           HA       LYS  40  -4.931  14.144   3.255
  592   2HB   LYS  40          2HB       LYS  40  -6.465  15.900   3.026
  593   2HG   LYS  40          2HG       LYS  40  -7.804  14.304   0.987
  594   2HD   LYS  40          2HD       LYS  40 -10.106  15.033   1.541
  595   2HE   LYS  40          2HE       LYS  40  -8.900  13.025   3.489
  596   1HZ   LYS  40          1HZ       LYS  40 -11.262  13.273   3.785
  597   2HZ   LYS  40          2HZ       LYS  40 -11.552  13.096   2.177
  598   3HZ   LYS  40          3HZ       LYS  40 -10.933  11.841   3.035
  599    H    VAL  41           H        VAL  41  -4.404  12.034   1.385
  600    HA   VAL  41           HA       VAL  41  -6.661  10.179   1.597
  601    HB   VAL  41           HB       VAL  41  -5.783  10.094  -0.510
  602   1HG1  VAL  41          1HG1      VAL  41  -3.381   9.500  -0.956
  603   2HG1  VAL  41          2HG1      VAL  41  -3.571  11.075  -0.188
  604   3HG1  VAL  41          3HG1      VAL  41  -3.034   9.672   0.766
  605   1HG2  VAL  41          1HG2      VAL  41  -5.024   7.738  -0.753
  606   2HG2  VAL  41          2HG2      VAL  41  -4.588   7.666   0.930
  607   3HG2  VAL  41          3HG2      VAL  41  -6.300   7.852   0.474
  608    H    ALA  42           H        ALA  42  -6.713   8.368   2.858
  609    HA   ALA  42           HA       ALA  42  -5.103   8.220   5.235
  610   1HB   ALA  42          1HB       ALA  42  -7.356   6.454   4.168
  611   2HB   ALA  42          2HB       ALA  42  -6.720   6.428   5.829
  612   3HB   ALA  42          3HB       ALA  42  -7.551   7.869   5.224
  613    H    ARG  43           H        ARG  43  -4.086   6.295   5.970
  614    HA   ARG  43           HA       ARG  43  -2.225   5.004   4.256
  615   2HB   ARG  43          2HB       ARG  43  -3.211   4.361   7.054
  616   2HG   ARG  43          2HG       ARG  43  -0.804   3.211   7.059
  617   2HD   ARG  43          2HD       ARG  43  -3.461   1.978   6.350
  618    HE   ARG  43           HE       ARG  43  -0.943   0.658   5.790
  619   1HH1  ARG  43          1HH1      ARG  43  -4.047  -0.144   7.160
  620   2HH1  ARG  43          2HH1      ARG  43  -3.917  -1.791   6.583
  621   1HH2  ARG  43          1HH2      ARG  43  -0.937  -1.194   4.971
  622   2HH2  ARG  43          2HH2      ARG  43  -2.300  -2.323   5.107
  623    H    ARG  44           H        ARG  44  -5.523   4.172   4.813
  624    HA   ARG  44           HA       ARG  44  -5.342   1.287   4.322
  625   2HB   ARG  44          2HB       ARG  44  -7.907   1.789   3.946
  626   2HG   ARG  44          2HG       ARG  44  -6.885   0.720   6.001
  627   2HD   ARG  44          2HD       ARG  44  -7.098   3.536   7.164
  628    HE   ARG  44           HE       ARG  44  -6.185   1.028   8.544
  629   1HH1  ARG  44          1HH1      ARG  44  -8.298   3.893   8.762
  630   2HH1  ARG  44          2HH1      ARG  44  -8.678   3.450  10.412
  631   1HH2  ARG  44          1HH2      ARG  44  -6.832   0.640  10.614
  632   2HH2  ARG  44          2HH2      ARG  44  -8.004   1.725  11.343
  633    H    THR  45           H        THR  45  -5.869   4.168   2.363
  634    HA   THR  45           HA       THR  45  -6.652   2.847  -0.060
  635    HB   THR  45           HB       THR  45  -5.737   5.688   0.487
  636    HG1  THR  45           HG1      THR  45  -7.601   6.270   1.330
  637   1HG2  THR  45          1HG2      THR  45  -6.219   5.050  -1.861
  638   2HG2  THR  45          2HG2      THR  45  -7.886   4.661  -1.384
  639   3HG2  THR  45          3HG2      THR  45  -7.264   6.330  -1.242
  640    H    VAL  46           H        VAL  46  -3.965   4.804   1.179
  641    HA   VAL  46           HA       VAL  46  -2.540   4.775  -1.159
  642    HB   VAL  46           HB       VAL  46  -2.375   6.178   1.094
  643   1HG1  VAL  46          1HG1      VAL  46   0.056   4.368   1.359
  644   2HG1  VAL  46          2HG1      VAL  46  -0.306   5.829   2.269
  645   3HG1  VAL  46          3HG1      VAL  46  -1.341   4.398   2.446
  646   1HG2  VAL  46          1HG2      VAL  46  -0.370   7.216   0.253
  647   2HG2  VAL  46          2HG2      VAL  46   0.075   5.733  -0.635
  648   3HG2  VAL  46          3HG2      VAL  46  -1.318   6.705  -1.139
  649    H    ALA  47           H        ALA  47  -2.670   2.456   1.445
  650    HA   ALA  47           HA       ALA  47  -0.299   0.980   0.984
  651   1HB   ALA  47          1HB       ALA  47  -1.488  -0.726   2.413
  652   2HB   ALA  47          2HB       ALA  47  -1.498   0.897   3.114
  653   3HB   ALA  47          3HB       ALA  47  -2.953   0.284   2.315
  654    H    LYS  48           H        LYS  48  -3.583   0.850  -0.279
  655    HA   LYS  48           HA       LYS  48  -3.124  -1.645  -1.789
  656   2HB   LYS  48          2HB       LYS  48  -5.542  -1.076  -2.543
  657   2HG   LYS  48          2HG       LYS  48  -5.072  -1.488   0.452
  658   2HD   LYS  48          2HD       LYS  48  -6.922  -3.239   0.051
  659   2HE   LYS  48          2HE       LYS  48  -8.841  -1.604  -0.001
  660   1HZ   LYS  48          1HZ       LYS  48  -8.388  -0.763   2.134
  661   2HZ   LYS  48          2HZ       LYS  48  -7.593  -2.184   2.088
  662   3HZ   LYS  48          3HZ       LYS  48  -6.769  -0.764   1.917
  663    H    TYR  49           H        TYR  49  -2.473   1.632  -2.324
  664    HA   TYR  49           HA       TYR  49  -2.613   1.437  -5.275
  665   2HB   TYR  49          2HB       TYR  49  -1.469   3.751  -5.004
  666    HD1  TYR  49           HD2      TYR  49  -4.700   2.117  -4.029
  667    HD2  TYR  49           HD1      TYR  49  -2.748   5.571  -5.697
  668    HE1  TYR  49           HE2      TYR  49  -6.876   2.895  -4.965
  669    HE2  TYR  49           HE1      TYR  49  -4.939   6.357  -6.633
  670    HH   TYR  49           HH       TYR  49  -7.521   5.906  -5.923
  671    H    ARG  50           H        ARG  50  -0.004   1.966  -2.851
  672    HA   ARG  50           HA       ARG  50   2.170   1.667  -4.667
  673   2HB   ARG  50          2HB       ARG  50   2.524   2.501  -2.421
  674   2HG   ARG  50          2HG       ARG  50   1.034   0.207  -1.524
  675   2HD   ARG  50          2HD       ARG  50   2.497  -0.362   0.433
  676    HE   ARG  50           HE       ARG  50   4.130  -1.423  -1.724
  677   1HH1  ARG  50          1HH1      ARG  50   0.781  -1.779  -0.533
  678   2HH1  ARG  50          2HH1      ARG  50   0.959  -3.523  -0.710
  679   1HH2  ARG  50          1HH2      ARG  50   4.062  -3.660  -1.859
  680   2HH2  ARG  50          2HH2      ARG  50   2.527  -4.433  -1.460
  681    H    GLU  51           H        GLU  51  -0.008  -0.694  -3.670
  682    HA   GLU  51           HA       GLU  51   1.533  -3.118  -4.141
  683   2HB   GLU  51          2HB       GLU  51  -1.468  -2.702  -4.387
  684   2HG   GLU  51          2HG       GLU  51   0.076  -5.125  -3.381
  685    H    MET  52           H        MET  52  -0.491  -1.051  -6.212
  686    HA   MET  52           HA       MET  52  -0.274  -2.977  -8.472
  687   2HB   MET  52          2HB       MET  52  -2.502  -2.182  -7.880
  688   2HG   MET  52          2HG       MET  52  -1.438   0.551  -8.680
  689   1HE   MET  52          1HE       MET  52  -4.741   2.641  -8.518
  690   2HE   MET  52          2HE       MET  52  -3.822   2.126  -7.092
  691   3HE   MET  52          3HE       MET  52  -2.963   2.671  -8.545
  692    H    LEU  53           H        LEU  53   0.957   0.185  -7.612
  693    HA   LEU  53           HA       LEU  53   1.727   0.969 -10.300
  694   2HB   LEU  53          2HB       LEU  53   3.161   2.632  -8.836
  695    HG   LEU  53           HG       LEU  53   0.244   2.415  -9.428
  696   1HD1  LEU  53          1HD1      LEU  53   0.207   2.950  -6.987
  697   2HD1  LEU  53          2HD1      LEU  53   1.108   4.434  -7.340
  698   3HD1  LEU  53          3HD1      LEU  53  -0.530   4.173  -7.993
  699   1HD2  LEU  53          1HD2      LEU  53   2.039   4.848  -9.458
  700   2HD2  LEU  53          2HD2      LEU  53   2.200   3.560 -10.675
  701   3HD2  LEU  53          3HD2      LEU  53   0.684   4.453 -10.555
  702    HN2  GLY  54           HN2      GLY  54   3.797   0.070  -7.539
  703   1HA   GLY  54          1HA       GLY  54   5.033  -2.090  -8.869
  704   2HA   GLY  54          2HA       GLY  54   6.026  -0.689  -9.242
  705    H    ILE  55           H        ILE  55   5.142   0.045  -6.173
  706    HA   ILE  55           HA       ILE  55   7.740  -0.629  -5.182
  707    HB   ILE  55           HB       ILE  55   5.319   0.621  -3.914
  708   2HG1  ILE  55          2HG1      ILE  55   7.020   1.714  -5.669
  709   1HG2  ILE  55          1HG2      ILE  55   8.012   0.036  -2.595
  710   2HG2  ILE  55          2HG2      ILE  55   6.825   1.192  -1.957
  711   3HG2  ILE  55          3HG2      ILE  55   6.412  -0.515  -2.045
  712   1HD1  ILE  55          1HD1      ILE  55   6.293   3.137  -3.075
  713   2HD1  ILE  55          2HD1      ILE  55   6.795   3.906  -4.587
  714   3HD1  ILE  55          3HD1      ILE  55   5.268   2.999  -4.529
  715    HA   PRO  56           HA       PRO  56   6.571  -4.748  -3.727
  716   2HB   PRO  56          2HB       PRO  56   8.641  -5.464  -4.393
  717   2HG   PRO  56          2HG       PRO  56  10.489  -4.030  -4.413
  718   2HD   PRO  56          2HD       PRO  56   9.024  -2.454  -5.318
  719    H    SER  57           H        SER  57   8.800  -3.170  -1.477
  720    HA   SER  57           HA       SER  57   6.594  -2.132   0.116
  721   2HB   SER  57          2HB       SER  57   7.059  -4.388   1.117
  722    HG   SER  57           HG       SER  57   8.903  -4.661   2.286
  723    H    SER  58           H        SER  58   9.677  -1.905  -1.048
  724    HA   SER  58           HA       SER  58  11.549  -0.740  -0.828
  725   2HB   SER  58          2HB       SER  58  11.510   1.595   0.033
  726    HG   SER  58           HG       SER  58   9.900   2.224  -1.598
  727    H    ARG  59           H        ARG  59  10.055  -1.718   2.103
  728    HA   ARG  59           HA       ARG  59  12.364  -1.217   3.871
  729   2HB   ARG  59          2HB       ARG  59   9.900  -3.011   4.009
  730   2HG   ARG  59          2HG       ARG  59  12.007  -2.580   6.175
  731   2HD   ARG  59          2HD       ARG  59   9.348  -4.044   6.067
  732    HE   ARG  59           HE       ARG  59  11.678  -4.631   7.811
  733   1HH1  ARG  59          1HH1      ARG  59   8.234  -5.189   7.378
  734   2HH1  ARG  59          2HH1      ARG  59   8.314  -6.673   8.306
  735   1HH2  ARG  59          1HH2      ARG  59  11.636  -6.524   8.981
  736   2HH2  ARG  59          2HH2      ARG  59  10.107  -7.376   9.135
  737    H    GLU  60           H        GLU  60  11.074  -3.733   1.768
  738    HA   GLU  60           HA       GLU  60  13.102  -5.629   2.443
  739   2HB   GLU  60          2HB       GLU  60  10.828  -6.234   1.721
  740   2HG   GLU  60          2HG       GLU  60  10.941  -4.627  -0.421
  741    H    ARG  61           H        ARG  61  12.999  -3.111   0.128
  742    HA   ARG  61           HA       ARG  61  15.363  -3.834  -1.444
  743   2HB   ARG  61          2HB       ARG  61  15.320  -1.425  -2.058
  744   2HG   ARG  61          2HG       ARG  61  12.531  -2.667  -2.190
  745   2HD   ARG  61          2HD       ARG  61  13.936  -0.402  -3.658
  746    HE   ARG  61           HE       ARG  61  12.329  -1.907  -5.092
  747   1HH1  ARG  61          1HH1      ARG  61  11.142   0.995  -3.417
  748   2HH1  ARG  61          2HH1      ARG  61  10.546   1.613  -4.966
  749   1HH2  ARG  61          1HH2      ARG  61  11.229  -1.021  -6.878
  750   2HH2  ARG  61          2HH2      ARG  61  10.517   0.580  -6.644
  751    H    ARG  62           H        ARG  62  14.715  -1.768   1.435
  752    HA   ARG  62           HA       ARG  62  17.349  -0.688   1.623
  753   2HB   ARG  62          2HB       ARG  62  14.876  -0.796   3.402
  754   2HG   ARG  62          2HG       ARG  62  16.441   1.617   3.632
  755   2HD   ARG  62          2HD       ARG  62  15.782  -0.596   5.576
  756    HE   ARG  62           HE       ARG  62  17.224   1.844   6.002
  757   1HH1  ARG  62          1HH1      ARG  62  14.501   0.254   7.533
  758   2HH1  ARG  62          2HH1      ARG  62  14.770   1.077   9.052
  759   1HH2  ARG  62          1HH2      ARG  62  17.542   2.794   7.956
  760   2HH2  ARG  62          2HH2      ARG  62  16.455   2.467   9.284
  761    H    ILE  63           H        ILE  63  15.574  -2.841   3.754
  762    HA   ILE  63           HA       ILE  63  17.426  -3.024   5.803
  763    HB   ILE  63           HB       ILE  63  14.947  -3.647   5.756
  764   2HG1  ILE  63          2HG1      ILE  63  16.874  -5.365   7.370
  765   1HG2  ILE  63          1HG2      ILE  63  15.968  -6.451   5.162
  766   2HG2  ILE  63          2HG2      ILE  63  14.294  -5.930   5.429
  767   3HG2  ILE  63          3HG2      ILE  63  15.160  -5.407   3.976
  768   1HD1  ILE  63          1HD1      ILE  63  16.202  -3.810   9.211
  769   2HD1  ILE  63          2HD1      ILE  63  17.069  -2.957   7.927
  770   3HD1  ILE  63          3HD1      ILE  63  15.299  -2.825   8.041
  Start of MODEL   10
    1   1H5*    T  64          1H5*        T  64   6.584  -2.282  20.380
    2   2H5*    T  64          2H5*        T  64   6.045  -0.728  19.736
    3    H4*    T  64           H4*        T  64   7.792  -1.584  18.357
    4    H3*    T  64           H3*        T  64   5.111  -1.702  16.986
    5   1H2*    T  64          1H2*        T  64   6.190  -2.505  15.081
    6   2H2*    T  64          2H2*        T  64   7.800  -1.942  15.633
    7    H1*    T  64           H1*        T  64   8.069  -4.084  16.301
    8    H3     T  64           H3         T  64   5.611  -7.242  14.321
    9   1H5M    T  64          1H5M        T  64   2.993  -6.573  18.583
   10   2H5M    T  64          2H5M        T  64   2.530  -4.921  18.114
   11   3H5M    T  64          3H5M        T  64   1.961  -6.302  17.161
   12    H6     T  64           H6         T  64   4.768  -4.049  17.823
   13    H5T    T  64           H5T        T  64   4.271  -2.067  20.369
   14   1H5*    T  65          1H5*        T  65   7.992  -0.075  14.336
   15   2H5*    T  65          2H5*        T  65   7.442   1.305  13.374
   16    H4*    T  65           H4*        T  65   8.223  -0.662  11.972
   17    H3*    T  65           H3*        T  65   5.481   0.474  11.796
   18   1H2*    T  65          1H2*        T  65   4.500  -1.291  10.930
   19   2H2*    T  65          2H2*        T  65   5.833  -1.622   9.785
   20    H1*    T  65           H1*        T  65   6.822  -3.099  11.123
   21    H3     T  65           H3         T  65   3.565  -6.206  11.578
   22   1H5M    T  65          1H5M        T  65   1.688  -2.497  14.591
   23   2H5M    T  65          2H5M        T  65   1.859  -4.070  15.396
   24   3H5M    T  65          3H5M        T  65   3.058  -2.798  15.685
   25    H6     T  65           H6         T  65   4.413  -1.987  13.743
   26   1H5*    T  66          1H5*        T  66   7.406  -0.861   7.923
   27   2H5*    T  66          2H5*        T  66   7.172   0.297   6.613
   28    H4*    T  66           H4*        T  66   6.854  -1.975   5.759
   29    H3*    T  66           H3*        T  66   4.996   0.049   5.336
   30   1H2*    T  66          1H2*        T  66   3.452  -0.751   6.877
   31   2H2*    T  66          2H2*        T  66   2.860  -1.676   5.496
   32    H1*    T  66           H1*        T  66   4.169  -3.594   6.067
   33    H3     T  66           H3         T  66   1.468  -5.756   8.978
   34   1H5M    T  66          1H5M        T  66   1.887  -0.575  10.572
   35   2H5M    T  66          2H5M        T  66   0.521  -1.592  11.058
   36   3H5M    T  66          3H5M        T  66   2.097  -1.777  11.859
   37    H6     T  66           H6         T  66   3.315  -1.301   8.902
   38   1H5*    T  67          1H5*        T  67   4.552  -4.349   4.091
   39   2H5*    T  67          2H5*        T  67   4.502  -4.305   2.325
   40    H4*    T  67           H4*        T  67   3.363  -6.309   3.135
   41    H3*    T  67           H3*        T  67   2.260  -4.344   1.387
   42   1H2*    T  67          1H2*        T  67   0.489  -3.772   2.784
   43   2H2*    T  67          2H2*        T  67  -0.272  -5.254   2.131
   44    H1*    T  67           H1*        T  67   0.554  -6.589   3.937
   45    H3     T  67           H3         T  67  -2.281  -5.858   7.401
   46   1H5M    T  67          1H5M        T  67   0.885  -1.545   7.042
   47   2H5M    T  67          2H5M        T  67  -0.769  -1.040   6.626
   48   3H5M    T  67          3H5M        T  67  -0.402  -1.663   8.246
   49    H6     T  67           H6         T  67   0.862  -3.034   5.080
   50   1H5*    G  68          1H5*        G  68   0.372  -8.585   1.393
   51   2H5*    G  68          2H5*        G  68  -0.149  -9.117  -0.207
   52    H4*    G  68           H4*        G  68  -1.720  -9.738   1.558
   53    H3*    G  68           H3*        G  68  -2.559  -8.283  -0.809
   54    H1*    G  68           H1*        G  68  -3.932  -8.482   2.741
   55    H8     G  68           H8         G  68  -2.695  -4.861   1.926
   56    H1     G  68           H1         G  68  -5.839  -5.664   7.527
   57   1H2     G  68          1H2         G  68  -6.956  -7.602   7.376
   58   2H2     G  68          2H2         G  68  -6.485  -8.771   6.148
   59   1H2*    G  68          1H2*        G  68  -3.536  -6.574   0.395
   60   2H2*    G  68          2H2*        G  68  -4.866  -7.739   0.656
   61   1H5*    G  69          1H5*        G  69  -5.235 -11.117   1.843
   62   2H5*    G  69          2H5*        G  69  -6.086 -12.208   0.741
   63    H4*    G  69           H4*        G  69  -7.409 -11.908   2.715
   64    H3*    G  69           H3*        G  69  -8.443 -11.417   0.146
   65    H1*    G  69           H1*        G  69  -9.292  -9.430   3.303
   66    H8     G  69           H8         G  69  -7.197  -7.265   0.815
   67    H1     G  69           H1         G  69  -9.163  -4.252   6.180
   68   1H2     G  69          1H2         G  69 -10.587  -5.589   7.261
   69   2H2     G  69          2H2         G  69 -10.835  -7.231   6.685
   70   1H2*    G  69          1H2*        G  69  -8.526  -9.091   0.375
   71   2H2*    G  69          2H2*        G  69 -10.129  -9.461   1.065
   72   1H5*    C  70          1H5*        C  70 -11.326 -11.333   3.795
   73   2H5*    C  70          2H5*        C  70 -12.857 -12.148   3.455
   74    H4*    C  70           H4*        C  70 -13.236 -10.191   4.828
   75    H3*    C  70           H3*        C  70 -14.477 -10.437   2.197
   76    H1*    C  70           H1*        C  70 -13.575  -7.530   4.457
   77   1H4     C  70          1H4         C  70 -10.418  -2.516   2.417
   78   2H4     C  70          2H4         C  70  -9.773  -3.338   0.993
   79    H5     C  70           H5         C  70 -10.156  -5.693   0.618
   80    H6     C  70           H6         C  70 -11.483  -7.644   1.356
   81   1H2*    C  70          1H2*        C  70 -13.829  -8.333   1.528
   82   2H2*    C  70          2H2*        C  70 -15.105  -7.741   2.627
   83   1H5*    A  71          1H5*        A  71 -16.601  -8.062   5.628
   84   2H5*    A  71          2H5*        A  71 -18.366  -8.124   5.543
   85    H4*    A  71           H4*        A  71 -17.571  -5.853   6.027
   86    H3*    A  71           H3*        A  71 -18.814  -6.227   3.287
   87    H1*    A  71           H1*        A  71 -16.276  -3.698   4.809
   88    H8     A  71           H8         A  71 -15.969  -5.881   1.635
   89   1H6     A  71          1H6         A  71 -12.341  -1.058  -0.174
   90   2H6     A  71          2H6         A  71 -12.786  -2.697  -0.690
   91    H2     A  71           H2         A  71 -14.390   0.138   3.324
   92   1H2*    A  71          1H2*        A  71 -18.325  -4.034   2.756
   93   2H2*    A  71          2H2*        A  71 -18.448  -3.486   4.452
   94   1H5*    C  72          1H5*        C  72 -20.168  -3.355   6.590
   95   2H5*    C  72          2H5*        C  72 -21.852  -2.829   6.493
   96    H4*    C  72           H4*        C  72 -20.431  -0.933   7.040
   97    H3*    C  72           H3*        C  72 -21.458  -0.864   4.189
   98    H1*    C  72           H1*        C  72 -18.292   0.718   5.691
   99   1H4     C  72          1H4         C  72 -15.396   0.444   0.091
  100   2H4     C  72          2H4         C  72 -16.641  -0.545  -0.571
  101    H5     C  72           H5         C  72 -18.358  -1.566   0.764
  102    H6     C  72           H6         C  72 -19.504  -1.447   2.947
  103   1H2*    C  72          1H2*        C  72 -20.473   1.229   3.987
  104   2H2*    C  72          2H2*        C  72 -20.395   1.495   5.754
  105   1H5*    G  73          1H5*        G  73 -22.303   2.789   6.195
  106   2H5*    G  73          2H5*        G  73 -23.817   3.592   5.731
  107    H4*    G  73           H4*        G  73 -21.894   5.104   5.547
  108    H3*    G  73           H3*        G  73 -23.146   4.323   2.908
  109    H1*    G  73           H1*        G  73 -19.385   5.009   3.336
  110    H8     G  73           H8         G  73 -21.875   2.211   2.546
  111    H1     G  73           H1         G  73 -17.071   3.056  -1.706
  112   1H2     G  73          1H2         G  73 -16.179   5.088  -1.337
  113   2H2     G  73          2H2         G  73 -16.817   6.100  -0.059
  114   1H2*    G  73          1H2*        G  73 -21.526   5.792   1.869
  115   2H2*    G  73          2H2*        G  73 -21.103   6.526   3.445
  116   1H5*    T  74          1H5*        T  74 -22.146   8.351   2.870
  117   2H5*    T  74          2H5*        T  74 -23.400   9.460   2.286
  118    H4*    T  74           H4*        T  74 -21.224   9.814   1.096
  119    H3*    T  74           H3*        T  74 -23.497   8.652  -0.529
  120   1H2*    T  74          1H2*        T  74 -22.037   8.732  -2.411
  121   2H2*    T  74          2H2*        T  74 -20.951   9.903  -1.612
  122    H1*    T  74           H1*        T  74 -19.730   8.171  -0.969
  123    H3     T  74           H3         T  74 -19.909   4.504  -3.720
  124   1H5M    T  74          1H5M        T  74 -24.204   3.817  -1.172
  125   2H5M    T  74          2H5M        T  74 -22.988   2.630  -0.661
  126   3H5M    T  74          3H5M        T  74 -23.388   3.997   0.394
  127    H6     T  74           H6         T  74 -22.526   6.251  -0.076
  128   1H5*    T  75          1H5*        T  75 -21.488  11.785  -2.560
  129   2H5*    T  75          2H5*        T  75 -22.585  13.033  -3.154
  130    H4*    T  75           H4*        T  75 -21.040  12.331  -4.913
  131    H3*    T  75           H3*        T  75 -23.912  12.284  -5.101
  132   1H2*    T  75          1H2*        T  75 -24.245  10.256  -5.823
  133   2H2*    T  75          2H2*        T  75 -23.471  10.700  -7.360
  134    H1*    T  75           H1*        T  75 -21.500   9.762  -6.814
  135    H3     T  75           H3         T  75 -21.948   5.243  -6.576
  136   1H5M    T  75          1H5M        T  75 -24.761   5.616  -2.848
  137   2H5M    T  75          2H5M        T  75 -24.232   7.181  -2.208
  138   3H5M    T  75          3H5M        T  75 -25.604   7.098  -3.333
  139    H6     T  75           H6         T  75 -23.616   9.018  -4.098
  140   1H5*    T  76          1H5*        T  76 -21.286  12.512  -8.956
  141   2H5*    T  76          2H5*        T  76 -21.937  13.612 -10.179
  142    H4*    T  76           H4*        T  76 -21.081  11.560 -11.225
  143    H3*    T  76           H3*        T  76 -23.968  12.248 -11.379
  144   1H2*    T  76          1H2*        T  76 -24.719  10.136 -11.519
  145   2H2*    T  76          2H2*        T  76 -23.563   9.770 -12.823
  146    H1*    T  76           H1*        T  76 -22.044   8.827 -11.515
  147    H3     T  76           H3         T  76 -23.751   5.203  -9.307
  148   1H5M    T  76          1H5M        T  76 -25.567   8.411  -6.225
  149   2H5M    T  76          2H5M        T  76 -26.055   9.707  -7.325
  150   3H5M    T  76          3H5M        T  76 -26.979   8.182  -7.288
  151    H6     T  76           H6         T  76 -24.643   9.937  -9.105
  152   1H5*    C  77          1H5*        C  77 -21.760  10.412 -15.023
  153   2H5*    C  77          2H5*        C  77 -22.478  10.814 -16.588
  154    H4*    C  77           H4*        C  77 -22.103   8.427 -16.512
  155    H3*    C  77           H3*        C  77 -25.045   9.006 -16.098
  156    H1*    C  77           H1*        C  77 -22.834   6.012 -14.983
  157   1H4     C  77          1H4         C  77 -27.200   5.100 -10.493
  158   2H4     C  77          2H4         C  77 -27.724   6.792 -10.514
  159    H5     C  77           H5         C  77 -26.750   8.407 -12.041
  160    H6     C  77           H6         C  77 -25.067   8.657 -13.896
  161    H3T    C  77           H3T        C  77 -24.222   9.621 -18.165
  162   1H2*    C  77          1H2*        C  77 -25.351   6.671 -16.140
  163   2H2*    C  77          2H2*        C  77 -23.810   6.389 -17.004
  164   1H5*    G  78          1H5*        G  78 -31.713  -4.348 -11.797
  165   2H5*    G  78          2H5*        G  78 -30.611  -5.614 -11.223
  166    H4*    G  78           H4*        G  78 -29.712  -4.742 -13.256
  167    H3*    G  78           H3*        G  78 -28.214  -3.813 -10.796
  168    H1*    G  78           H1*        G  78 -28.653  -1.675 -14.058
  169    H8     G  78           H8         G  78 -29.946  -1.568 -10.542
  170    H1     G  78           H1         G  78 -26.138   3.410 -12.076
  171   1H2     G  78          1H2         G  78 -24.956   2.829 -13.869
  172   2H2     G  78          2H2         G  78 -25.355   1.348 -14.744
  173   1H2*    G  78          1H2*        G  78 -26.882  -2.443 -12.054
  174   2H2*    G  78          2H2*        G  78 -27.174  -3.346 -13.584
  175    H5T    G  78           H5T        G  78 -31.334  -4.240  -9.517
  176   1H5*    A  79          1H5*        A  79 -25.257  -4.440 -13.650
  177   2H5*    A  79          2H5*        A  79 -23.880  -5.365 -13.043
  178    H4*    A  79           H4*        A  79 -23.199  -3.124 -13.900
  179    H3*    A  79           H3*        A  79 -22.812  -3.772 -10.992
  180    H1*    A  79           H1*        A  79 -23.293  -0.329 -12.862
  181    H8     A  79           H8         A  79 -25.496  -1.946 -10.215
  182   1H6     A  79          1H6         A  79 -25.309   3.788  -7.593
  183   2H6     A  79          2H6         A  79 -26.143   2.232  -7.440
  184    H2     A  79           H2         A  79 -22.353   3.708 -10.629
  185   1H2*    A  79          1H2*        A  79 -22.114  -1.630 -10.561
  186   2H2*    A  79          2H2*        A  79 -21.471  -1.408 -12.217
  187   1H5*    A  80          1H5*        A  80 -19.797  -2.090 -13.830
  188   2H5*    A  80          2H5*        A  80 -18.090  -2.536 -13.655
  189    H4*    A  80           H4*        A  80 -18.463  -0.021 -13.937
  190    H3*    A  80           H3*        A  80 -17.183  -1.056 -11.378
  191    H1*    A  80           H1*        A  80 -19.348   2.117 -11.943
  192    H8     A  80           H8         A  80 -19.821  -1.117  -9.966
  193   1H6     A  80          1H6         A  80 -22.440   2.767  -5.737
  194   2H6     A  80          2H6         A  80 -22.230   1.045  -6.072
  195    H2     A  80           H2         A  80 -20.481   5.152  -8.667
  196   1H2*    A  80          1H2*        A  80 -17.206   1.061 -10.565
  197   2H2*    A  80          2H2*        A  80 -17.218   1.826 -12.179
  198   1H5*    A  81          1H5*        A  81 -15.254   2.492 -13.006
  199   2H5*    A  81          2H5*        A  81 -13.499   2.527 -12.777
  200    H4*    A  81           H4*        A  81 -14.625   4.501 -11.703
  201    H3*    A  81           H3*        A  81 -13.103   2.479 -10.110
  202    H1*    A  81           H1*        A  81 -16.057   4.874  -9.153
  203    H8     A  81           H8         A  81 -15.940   1.019  -9.011
  204   1H6     A  81          1H6         A  81 -19.721   1.841  -4.030
  205   2H6     A  81          2H6         A  81 -18.932   0.565  -4.961
  206    H2     A  81           H2         A  81 -18.854   5.688  -5.682
  207   1H2*    A  81          1H2*        A  81 -14.007   2.990  -8.171
  208   2H2*    A  81          2H2*        A  81 -13.935   4.758  -8.462
  209   1H5*    C  82          1H5*        C  82 -12.379   6.830  -8.635
  210   2H5*    C  82          2H5*        C  82 -10.670   6.997  -8.204
  211    H4*    C  82           H4*        C  82 -11.999   7.810  -6.359
  212    H3*    C  82           H3*        C  82 -10.745   5.103  -5.855
  213    H1*    C  82           H1*        C  82 -13.856   6.832  -4.344
  214   1H4     C  82          1H4         C  82 -16.432   1.558  -2.189
  215   2H4     C  82          2H4         C  82 -16.420   0.928  -3.795
  216    H5     C  82           H5         C  82 -15.026   1.889  -5.583
  217    H6     C  82           H6         C  82 -13.770   3.829  -6.248
  218   1H2*    C  82          1H2*        C  82 -11.706   4.991  -3.804
  219   2H2*    C  82          2H2*        C  82 -11.764   6.767  -3.572
  220   1H5*    G  83          1H5*        G  83  -9.852   8.648  -3.017
  221   2H5*    G  83          2H5*        G  83  -8.275   8.472  -2.255
  222    H4*    G  83           H4*        G  83  -9.898   9.343  -0.741
  223    H3*    G  83           H3*        G  83  -8.150   7.693   0.090
  224    H1*    G  83           H1*        G  83 -11.825   6.737   0.904
  225    H8     G  83           H8         G  83 -10.055   4.618  -1.797
  226    H1     G  83           H1         G  83 -15.413   1.982   0.660
  227   1H2     G  83          1H2         G  83 -15.931   3.141   2.496
  228   2H2     G  83          2H2         G  83 -15.199   4.712   2.796
  229   1H2*    G  83          1H2*        G  83  -9.245   5.679  -0.228
  230   2H2*    G  83          2H2*        G  83  -9.737   5.930   1.455
  231   1H5*    T  84          1H5*        T  84 -11.466   7.766   3.751
  232   2H5*    T  84          2H5*        T  84 -10.421   8.242   5.111
  233    H4*    T  84           H4*        T  84 -11.825   6.399   5.841
  234    H3*    T  84           H3*        T  84  -8.989   6.306   6.004
  235   1H2*    T  84          1H2*        T  84  -8.756   4.806   4.227
  236   2H2*    T  84          2H2*        T  84  -8.886   3.643   5.576
  237    H1*    T  84           H1*        T  84 -11.272   3.470   5.307
  238    H3     T  84           H3         T  84 -12.614   0.686   1.990
  239   1H5M    T  84          1H5M        T  84  -7.717   1.761   0.824
  240   2H5M    T  84          2H5M        T  84  -8.844   1.540  -0.530
  241   3H5M    T  84          3H5M        T  84  -8.434   3.172  -0.005
  242    H6     T  84           H6         T  84  -8.915   3.737   2.422
  243   1H5*    G  85          1H5*        G  85 -12.593   5.223   9.435
  244   2H5*    G  85          2H5*        G  85 -12.044   5.196  11.110
  245    H4*    G  85           H4*        G  85 -13.118   3.094  10.657
  246    H3*    G  85           H3*        G  85 -10.109   2.902  10.773
  247    H1*    G  85           H1*        G  85 -12.893   0.801   8.996
  248    H8     G  85           H8         G  85  -9.765   2.493   7.498
  249    H1     G  85           H1         G  85 -11.835  -2.785   4.398
  250   1H2     G  85          1H2         G  85 -13.380  -3.776   5.684
  251   2H2     G  85          2H2         G  85 -13.913  -3.007   7.179
  252   1H2*    G  85          1H2*        G  85 -10.091   0.825   9.911
  253   2H2*    G  85          2H2*        G  85 -11.583   0.326  10.759
  254   1H5*    C  86          1H5*        C  86 -12.602  -0.151  13.163
  255   2H5*    C  86          2H5*        C  86 -11.807  -0.590  14.682
  256    H4*    C  86           H4*        C  86 -12.668  -2.574  13.509
  257    H3*    C  86           H3*        C  86  -9.807  -2.251  14.133
  258    H1*    C  86           H1*        C  86 -11.574  -4.170  11.166
  259   1H4     C  86          1H4         C  86  -8.398  -2.567   5.882
  260   2H4     C  86          2H4         C  86  -7.659  -1.246   6.739
  261    H5     C  86           H5         C  86  -8.085  -0.603   8.952
  262    H6     C  86           H6         C  86  -9.252  -1.259  11.018
  263   1H2*    C  86          1H2*        C  86  -8.972  -3.275  12.320
  264   2H2*    C  86          2H2*        C  86  -9.953  -4.717  12.634
  265   1H5*    C  87          1H5*        C  87 -11.715  -6.526  14.314
  266   2H5*    C  87          2H5*        C  87 -10.919  -7.595  15.477
  267    H4*    C  87           H4*        C  87 -11.234  -8.747  13.350
  268    H3*    C  87           H3*        C  87  -8.345  -8.034  13.941
  269    H1*    C  87           H1*        C  87 -10.120  -8.499  10.515
  270   1H4     C  87          1H4         C  87  -6.757  -4.044   7.758
  271   2H4     C  87          2H4         C  87  -6.248  -3.413   9.311
  272    H5     C  87           H5         C  87  -6.562  -4.455  11.274
  273    H6     C  87           H6         C  87  -7.883  -6.220  12.487
  274   1H2*    C  87          1H2*        C  87  -7.757  -9.142  11.923
  275   2H2*    C  87          2H2*        C  87  -9.293 -10.048  11.878
  276   1H5*    A  88          1H5*        A  88  -8.752 -11.995  12.651
  277   2H5*    A  88          2H5*        A  88  -7.851 -13.212  13.549
  278    H4*    A  88           H4*        A  88  -7.529 -13.268  11.071
  279    H3*    A  88           H3*        A  88  -5.598 -13.670  13.045
  280    H1*    A  88           H1*        A  88  -4.936 -11.565   9.809
  281    H8     A  88           H8         A  88  -5.511  -9.486  13.063
  282   1H6     A  88          1H6         A  88  -3.063  -4.829   9.642
  283   2H6     A  88          2H6         A  88  -3.778  -5.169  11.226
  284    H2     A  88           H2         A  88  -3.025  -8.306   7.206
  285   1H2*    A  88          1H2*        A  88  -4.470 -11.662  12.799
  286   2H2*    A  88          2H2*        A  88  -3.620 -12.536  11.498
  287   1H5*    A  89          1H5*        A  89  -4.370 -14.227   8.633
  288   2H5*    A  89          2H5*        A  89  -3.562 -15.781   8.394
  289    H4*    A  89           H4*        A  89  -2.570 -14.124   6.943
  290    H3*    A  89           H3*        A  89  -1.034 -15.643   8.784
  291    H1*    A  89           H1*        A  89  -0.450 -12.068   7.628
  292    H8     A  89           H8         A  89  -1.372 -12.161  11.412
  293   1H6     A  89          1H6         A  89  -0.135  -6.015  11.068
  294   2H6     A  89          2H6         A  89  -0.612  -7.281  12.204
  295    H2     A  89           H2         A  89   0.312  -7.678   7.117
  296   1H2*    A  89          1H2*        A  89  -0.471 -13.826  10.126
  297   2H2*    A  89          2H2*        A  89   0.832 -13.636   8.917
  298   1H5*    A  90          1H5*        A  90   1.328 -13.284   5.307
  299   2H5*    A  90          2H5*        A  90   2.415 -14.497   4.620
  300    H4*    A  90           H4*        A  90   3.459 -12.355   4.454
  301    H3*    A  90           H3*        A  90   4.730 -14.509   5.753
  302    H1*    A  90           H1*        A  90   4.920 -10.806   6.888
  303    H8     A  90           H8         A  90   2.912 -13.143   9.283
  304   1H6     A  90          1H6         A  90   2.201  -7.859  12.613
  305   2H6     A  90          2H6         A  90   1.728  -9.558  12.586
  306    H2     A  90           H2         A  90   4.742  -6.959   9.279
  307   1H2*    A  90          1H2*        A  90   4.630 -13.661   7.894
  308   2H2*    A  90          2H2*        A  90   6.104 -12.787   7.405
  309   1H5*    A  91          1H5*        A  91   7.470 -10.755   4.688
  310   2H5*    A  91          2H5*        A  91   9.141 -11.248   4.378
  311    H4*    A  91           H4*        A  91   9.107  -9.276   5.813
  312    H3*    A  91           H3*        A  91   9.879 -11.824   7.280
  313    H1*    A  91           H1*        A  91   8.357  -8.426   8.351
  314    H8     A  91           H8         A  91   7.485 -12.085   9.176
  315   1H6     A  91          1H6         A  91   4.771  -9.404  14.200
  316   2H6     A  91          2H6         A  91   5.036 -10.986  13.460
  317    H2     A  91           H2         A  91   6.746  -6.327  11.956
  318    H3T    A  91           H3T        A  91  11.976 -10.856   7.061
  319   1H2*    A  91          1H2*        A  91  10.062 -10.627   9.244
  320   2H2*    A  91          2H2*        A  91  10.502  -9.108   8.410
  321   1H    HIS   1          1H        HIS   1 -14.724  11.141   0.630
  322   2H    HIS   1          2H        HIS   1 -15.385  12.288  -0.338
  323   3H    HIS   1          3H        HIS   1 -14.011  12.613   0.494
  324    HA   HIS   1           HA       HIS   1 -12.777  10.996  -0.759
  325   2HB   HIS   1          2HB       HIS   1 -13.742   9.797  -2.600
  326    HD1  HIS   1           HD1      HIS   1 -13.146   8.233  -0.242
  327    HD2  HIS   1           HD2      HIS   1 -17.104   9.517  -0.973
  328    HE1  HIS   1           HE1      HIS   1 -14.633   6.979   1.412
  329    H    MET   2           H        MET   2 -11.409  12.400  -1.641
  330    HA   MET   2           HA       MET   2 -12.547  14.829  -2.936
  331   2HB   MET   2          2HB       MET   2 -11.684  15.077  -0.645
  332   2HG   MET   2          2HG       MET   2  -9.244  15.289  -0.305
  333   1HE   MET   2          1HE       MET   2 -11.406  13.449   1.088
  334   2HE   MET   2          2HE       MET   2 -10.312  12.290   1.876
  335   3HE   MET   2          3HE       MET   2  -9.878  14.014   1.800
  336    H    LEU   3           H        LEU   3  -9.974  12.383  -3.506
  337    HA   LEU   3           HA       LEU   3  -8.679  14.136  -5.444
  338   2HB   LEU   3          2HB       LEU   3  -7.159  12.140  -5.664
  339    HG   LEU   3           HG       LEU   3  -7.598  12.738  -2.727
  340   1HD1  LEU   3          1HD1      LEU   3  -5.809  11.106  -3.827
  341   2HD1  LEU   3          2HD1      LEU   3  -4.935  12.572  -4.140
  342   3HD1  LEU   3          3HD1      LEU   3  -5.394  12.149  -2.453
  343   1HD2  LEU   3          1HD2      LEU   3  -7.629  14.942  -3.710
  344   2HD2  LEU   3          2HD2      LEU   3  -5.983  14.683  -3.166
  345   3HD2  LEU   3          3HD2      LEU   3  -6.381  14.500  -4.882
  346    H    THR   4           H        THR   4  -7.894  13.234  -7.405
  347    HA   THR   4           HA       THR   4 -10.088  12.515  -9.249
  348    HB   THR   4           HB       THR   4  -8.412  12.661 -11.026
  349    HG1  THR   4           HG1      THR   4  -6.312  13.387 -10.394
  350   1HG2  THR   4          1HG2      THR   4  -8.189  15.023  -9.134
  351   2HG2  THR   4          2HG2      THR   4  -7.813  15.012 -10.870
  352   3HG2  THR   4          3HG2      THR   4  -9.478  14.745 -10.319
  353    H    GLN   5           H        GLN   5  -9.118  10.860 -11.058
  354    HA   GLN   5           HA       GLN   5  -9.280   8.221 -10.125
  355   2HB   GLN   5          2HB       GLN   5  -9.617   8.976 -12.427
  356   2HG   GLN   5          2HG       GLN   5  -6.577   9.099 -12.664
  357   1HE2  GLN   5          1HE2      GLN   5  -9.247  10.582 -14.606
  358   2HE2  GLN   5          2HE2      GLN   5  -8.785   9.727 -16.076
  359    HN2  GLY   6           HN2      GLY   6  -6.399  10.293 -10.092
  360   1HA   GLY   6          1HA       GLY   6  -4.972   8.236  -8.585
  361   2HA   GLY   6          2HA       GLY   6  -4.332   8.578 -10.197
  362    H    GLU   7           H        GLU   7  -5.619  11.260  -8.029
  363    HA   GLU   7           HA       GLU   7  -3.202  12.694  -8.301
  364   2HB   GLU   7          2HB       GLU   7  -4.664  13.577  -6.029
  365   2HG   GLU   7          2HG       GLU   7  -4.805  14.530  -8.911
  366    H    LEU   8           H        LEU   8  -3.897  10.090  -6.269
  367    HA   LEU   8           HA       LEU   8  -1.374  10.646  -4.736
  368   2HB   LEU   8          2HB       LEU   8  -3.398  10.465  -3.373
  369    HG   LEU   8           HG       LEU   8  -4.138   8.245  -4.867
  370   1HD1  LEU   8          1HD1      LEU   8  -3.025   7.250  -2.198
  371   2HD1  LEU   8          2HD1      LEU   8  -3.937   6.284  -3.364
  372   3HD1  LEU   8          3HD1      LEU   8  -2.322   6.890  -3.784
  373   1HD2  LEU   8          1HD2      LEU   8  -5.936   9.026  -3.759
  374   2HD2  LEU   8          2HD2      LEU   8  -5.564   7.742  -2.619
  375   3HD2  LEU   8          3HD2      LEU   8  -5.033   9.396  -2.283
  376    H    MET   9           H        MET   9  -2.603   8.774  -7.267
  377    HA   MET   9           HA       MET   9  -0.951   6.358  -6.924
  378   2HB   MET   9          2HB       MET   9  -2.919   7.374  -8.949
  379   2HG   MET   9          2HG       MET   9  -0.740   5.457  -9.643
  380   1HE   MET   9          1HE       MET   9  -1.255   5.356 -12.744
  381   2HE   MET   9          2HE       MET   9  -0.735   3.953 -11.779
  382   3HE   MET   9          3HE       MET   9  -2.108   3.805 -12.899
  383    H    LYS  10           H        LYS  10  -1.042   8.929  -9.317
  384    HA   LYS  10           HA       LYS  10   1.629   8.267 -10.318
  385   2HB   LYS  10          2HB       LYS  10  -0.169   8.871 -11.801
  386   2HG   LYS  10          2HG       LYS  10  -0.069  11.789 -11.250
  387   2HD   LYS  10          2HD       LYS  10  -2.476   9.958 -11.640
  388   2HE   LYS  10          2HE       LYS  10  -2.916  12.224 -10.720
  389   1HZ   LYS  10          1HZ       LYS  10  -1.942  13.137 -13.380
  390   2HZ   LYS  10          2HZ       LYS  10  -2.702  14.079 -12.287
  391   3HZ   LYS  10          3HZ       LYS  10  -1.220  13.485 -11.954
  392    H    LEU  11           H        LEU  11   1.347   9.314  -7.559
  393    HA   LEU  11           HA       LEU  11   3.323  11.546  -7.516
  394   2HB   LEU  11          2HB       LEU  11   2.125  12.332  -5.441
  395    HG   LEU  11           HG       LEU  11   0.326  13.551  -6.375
  396   1HD1  LEU  11          1HD1      LEU  11   2.459  13.279  -8.517
  397   2HD1  LEU  11          2HD1      LEU  11   1.391  14.670  -8.253
  398   3HD1  LEU  11          3HD1      LEU  11   2.614  14.251  -7.028
  399   1HD2  LEU  11          1HD2      LEU  11  -0.483  11.455  -7.775
  400   2HD2  LEU  11          2HD2      LEU  11  -0.813  13.108  -8.360
  401   3HD2  LEU  11          3HD2      LEU  11   0.534  12.181  -9.029
  402    H    ILE  12           H        ILE  12   2.021   8.570  -5.889
  403    HA   ILE  12           HA       ILE  12   3.831   8.810  -3.633
  404    HB   ILE  12           HB       ILE  12   3.621   6.320  -3.464
  405   2HG1  ILE  12          2HG1      ILE  12   2.748   6.397  -6.122
  406   1HG2  ILE  12          1HG2      ILE  12   1.222   6.418  -2.752
  407   2HG2  ILE  12          2HG2      ILE  12   2.290   7.668  -2.073
  408   3HG2  ILE  12          3HG2      ILE  12   1.174   8.079  -3.366
  409   1HD1  ILE  12          1HD1      ILE  12   2.035   4.213  -4.143
  410   2HD1  ILE  12          2HD1      ILE  12   2.400   4.033  -5.869
  411   3HD1  ILE  12          3HD1      ILE  12   3.695   4.450  -4.753
  412    H    LYS  13           H        LYS  13   4.320   7.731  -6.896
  413    HA   LYS  13           HA       LYS  13   7.084   6.727  -6.222
  414   2HB   LYS  13          2HB       LYS  13   5.887   5.079  -7.304
  415   2HG   LYS  13          2HG       LYS  13   4.052   6.405  -8.349
  416   2HD   LYS  13          2HD       LYS  13   5.213   8.127  -9.641
  417   2HE   LYS  13          2HE       LYS  13   6.259   5.779 -11.290
  418   1HZ   LYS  13          1HZ       LYS  13   6.528   8.699 -11.768
  419   2HZ   LYS  13          2HZ       LYS  13   7.248   7.526 -12.646
  420   3HZ   LYS  13          3HZ       LYS  13   5.623   7.678 -12.667
  421    H    GLU  14           H        GLU  14   5.759   9.512  -7.178
  422    HA   GLU  14           HA       GLU  14   7.956  10.401  -8.993
  423   2HB   GLU  14          2HB       GLU  14   5.463  11.942  -8.182
  424   2HG   GLU  14          2HG       GLU  14   7.497  12.225 -10.434
  425    H    ILE  15           H        ILE  15   6.980  10.472  -5.630
  426    HA   ILE  15           HA       ILE  15   9.115  12.457  -5.061
  427    HB   ILE  15           HB       ILE  15   8.233  12.730  -2.902
  428   2HG1  ILE  15          2HG1      ILE  15   6.626  10.287  -3.469
  429   1HG2  ILE  15          1HG2      ILE  15   7.274  14.081  -4.734
  430   2HG2  ILE  15          2HG2      ILE  15   5.923  12.931  -4.870
  431   3HG2  ILE  15          3HG2      ILE  15   6.152  13.859  -3.379
  432   1HD1  ILE  15          1HD1      ILE  15   7.378  11.729  -0.885
  433   2HD1  ILE  15          2HD1      ILE  15   6.756  10.071  -1.039
  434   3HD1  ILE  15          3HD1      ILE  15   8.365  10.483  -1.678
  435    H    VAL  16           H        VAL  16   7.908   9.132  -4.073
  436    HA   VAL  16           HA       VAL  16  10.172   8.728  -2.465
  437    HB   VAL  16           HB       VAL  16   8.466   6.601  -3.833
  438   1HG1  VAL  16          1HG1      VAL  16   9.355   5.187  -1.886
  439   2HG1  VAL  16          2HG1      VAL  16  10.514   5.558  -3.167
  440   3HG1  VAL  16          3HG1      VAL  16  10.577   6.475  -1.653
  441   1HG2  VAL  16          1HG2      VAL  16   7.369   6.420  -1.654
  442   2HG2  VAL  16          2HG2      VAL  16   8.399   7.698  -0.976
  443   3HG2  VAL  16          3HG2      VAL  16   7.224   8.085  -2.219
  444    H    GLU  17           H        GLU  17   9.803   8.214  -5.974
  445    HA   GLU  17           HA       GLU  17  12.417   6.771  -6.045
  446   2HB   GLU  17          2HB       GLU  17  12.138   6.578  -8.439
  447   2HG   GLU  17          2HG       GLU  17   9.987   5.388  -8.659
  448    H    ASN  18           H        ASN  18  11.682   9.946  -5.600
  449    HA   ASN  18           HA       ASN  18  13.902  10.991  -7.264
  450   2HB   ASN  18          2HB       ASN  18  11.402  12.223  -6.034
  451   1HD2  ASN  18          1HD2      ASN  18  12.318  14.077  -5.126
  452   2HD2  ASN  18          2HD2      ASN  18  13.081  15.290  -6.143
  453    H    GLU  19           H        GLU  19  12.968  10.301  -4.003
  454    HA   GLU  19           HA       GLU  19  14.549  12.531  -2.839
  455   2HB   GLU  19          2HB       GLU  19  13.499  11.685  -0.678
  456   2HG   GLU  19          2HG       GLU  19  11.125  12.286  -1.242
  457    H    ASP  20           H        ASP  20  14.317   9.503  -1.122
  458    HA   ASP  20           HA       ASP  20  17.213   9.068  -1.437
  459   2HB   ASP  20          2HB       ASP  20  17.248   8.795   1.166
  460    H    LYS  21           H        LYS  21  16.595   7.327  -2.616
  461    HA   LYS  21           HA       LYS  21  15.269   4.955  -1.651
  462   2HB   LYS  21          2HB       LYS  21  16.740   3.773  -3.328
  463   2HG   LYS  21          2HG       LYS  21  15.385   6.283  -4.402
  464   2HD   LYS  21          2HD       LYS  21  15.905   3.523  -5.600
  465   2HE   LYS  21          2HE       LYS  21  14.451   5.942  -6.758
  466   1HZ   LYS  21          1HZ       LYS  21  14.942   3.220  -7.828
  467   2HZ   LYS  21          2HZ       LYS  21  15.477   4.628  -8.474
  468   3HZ   LYS  21          3HZ       LYS  21  13.874   4.260  -8.469
  469    H    ARG  22           H        ARG  22  18.358   6.252  -0.835
  470    HA   ARG  22           HA       ARG  22  19.498   3.974   0.574
  471   2HB   ARG  22          2HB       ARG  22  20.895   5.804  -0.208
  472   2HG   ARG  22          2HG       ARG  22  19.258   7.571   1.670
  473   2HD   ARG  22          2HD       ARG  22  21.656   7.993   1.949
  474    HE   ARG  22           HE       ARG  22  22.841   7.734  -0.057
  475   1HH1  ARG  22          1HH1      ARG  22  20.322  10.150  -0.657
  476   2HH1  ARG  22          2HH1      ARG  22  21.063  10.604  -2.172
  477   1HH2  ARG  22          1HH2      ARG  22  23.673   8.382  -1.975
  478   2HH2  ARG  22          2HH2      ARG  22  22.888   9.643  -2.889
  479    H    LYS  23           H        LYS  23  17.054   6.246   1.416
  480    HA   LYS  23           HA       LYS  23  16.631   5.083   4.134
  481   2HB   LYS  23          2HB       LYS  23  16.451   7.384   5.109
  482   2HG   LYS  23          2HG       LYS  23  19.244   6.810   4.031
  483   2HD   LYS  23          2HD       LYS  23  19.955   7.916   6.146
  484   2HE   LYS  23          2HE       LYS  23  18.304   9.686   4.285
  485   1HZ   LYS  23          1HZ       LYS  23  19.099  10.829   6.281
  486   2HZ   LYS  23          2HZ       LYS  23  19.900  11.373   4.968
  487   3HZ   LYS  23          3HZ       LYS  23  20.634  10.345   6.003
  488    HA   PRO  24           HA       PRO  24  13.112   6.025   1.290
  489   2HB   PRO  24          2HB       PRO  24  13.413   3.913   0.359
  490   2HG   PRO  24          2HG       PRO  24  13.820   2.009   1.750
  491   2HD   PRO  24          2HD       PRO  24  15.582   3.466   2.104
  492    H    TYR  25           H        TYR  25  10.691   5.778   1.434
  493    HA   TYR  25           HA       TYR  25   9.639   6.293   4.157
  494   2HB   TYR  25          2HB       TYR  25   7.699   7.170   3.020
  495    HD1  TYR  25           HD1      TYR  25  10.201   7.600   0.298
  496    HD2  TYR  25           HD2      TYR  25   8.557   9.196   3.929
  497    HE1  TYR  25           HE1      TYR  25  11.363   9.753  -0.144
  498    HE2  TYR  25           HE2      TYR  25   9.775  11.344   3.545
  499    HH   TYR  25           HH       TYR  25  11.163  12.489   2.172
  500    H    SER  26           H        SER  26   7.115   5.551   4.073
  501    HA   SER  26           HA       SER  26   6.726   2.760   3.224
  502   2HB   SER  26          2HB       SER  26   7.482   2.298   5.461
  503    HG   SER  26           HG       SER  26   6.670   3.328   7.236
  504    H    ASP  27           H        ASP  27   4.259   2.216   3.864
  505    HA   ASP  27           HA       ASP  27   2.552   3.997   2.526
  506   2HB   ASP  27          2HB       ASP  27   1.939   1.737   2.753
  507    H    GLN  28           H        GLN  28   3.035   3.805   6.139
  508    HA   GLN  28           HA       GLN  28   1.250   5.952   6.711
  509   2HB   GLN  28          2HB       GLN  28   3.683   4.836   8.147
  510   2HG   GLN  28          2HG       GLN  28   3.396   7.130   8.910
  511   1HE2  GLN  28          1HE2      GLN  28   1.650   8.405   7.827
  512   2HE2  GLN  28          2HE2      GLN  28   0.072   8.508   8.596
  513    H    GLU  29           H        GLU  29   4.855   6.017   6.051
  514    HA   GLU  29           HA       GLU  29   4.863   8.827   6.504
  515   2HB   GLU  29          2HB       GLU  29   7.163   8.567   5.348
  516   2HG   GLU  29          2HG       GLU  29   8.082   7.364   7.392
  517    H    ILE  30           H        ILE  30   4.669   7.041   3.388
  518    HA   ILE  30           HA       ILE  30   4.570   9.480   1.841
  519    HB   ILE  30           HB       ILE  30   3.705   8.258   0.019
  520   2HG1  ILE  30          2HG1      ILE  30   2.064   6.833   0.897
  521   1HG2  ILE  30          1HG2      ILE  30   5.812   6.567   1.394
  522   2HG2  ILE  30          2HG2      ILE  30   5.567   6.814  -0.344
  523   3HG2  ILE  30          3HG2      ILE  30   6.129   8.155   0.657
  524   1HD1  ILE  30          1HD1      ILE  30   2.489   4.633   0.017
  525   2HD1  ILE  30          2HD1      ILE  30   3.311   5.783  -1.052
  526   3HD1  ILE  30          3HD1      ILE  30   4.240   4.847   0.142
  527    H    ALA  31           H        ALA  31   2.001   7.728   3.593
  528    HA   ALA  31           HA       ALA  31  -0.169   9.376   2.567
  529   1HB   ALA  31          1HB       ALA  31   0.178   7.805   5.163
  530   2HB   ALA  31          2HB       ALA  31  -1.307   8.668   4.735
  531   3HB   ALA  31          3HB       ALA  31  -0.749   7.339   3.727
  532    H    ASN  32           H        ASN  32   2.166   9.810   5.163
  533    HA   ASN  32           HA       ASN  32   0.933  12.050   6.446
  534   2HB   ASN  32          2HB       ASN  32   3.800  11.029   6.443
  535   1HD2  ASN  32          1HD2      ASN  32   5.003  11.376   8.455
  536   2HD2  ASN  32          2HD2      ASN  32   4.692  12.884   9.321
  537    H    ILE  33           H        ILE  33   3.684  11.930   4.159
  538    HA   ILE  33           HA       ILE  33   3.998  14.805   4.014
  539    HB   ILE  33           HB       ILE  33   4.715  12.780   1.896
  540   2HG1  ILE  33          2HG1      ILE  33   5.688  12.769   4.577
  541   1HG2  ILE  33          1HG2      ILE  33   6.625  14.343   1.407
  542   2HG2  ILE  33          2HG2      ILE  33   5.021  14.921   0.979
  543   3HG2  ILE  33          3HG2      ILE  33   5.820  15.544   2.446
  544   1HD1  ILE  33          1HD1      ILE  33   5.677  11.069   2.666
  545   2HD1  ILE  33          2HD1      ILE  33   7.227  11.775   2.176
  546   3HD1  ILE  33          3HD1      ILE  33   7.034  11.038   3.808
  547    H    LEU  34           H        LEU  34   1.968  12.558   2.225
  548    HA   LEU  34           HA       LEU  34   1.081  14.335   0.116
  549   2HB   LEU  34          2HB       LEU  34  -0.911  12.552   0.340
  550    HG   LEU  34           HG       LEU  34   0.277  12.380  -1.641
  551   1HD1  LEU  34          1HD1      LEU  34   2.636  11.590  -1.847
  552   2HD1  LEU  34          2HD1      LEU  34   2.470  13.169  -1.071
  553   3HD1  LEU  34          3HD1      LEU  34   2.804  11.740  -0.083
  554   1HD2  LEU  34          1HD2      LEU  34  -0.607  10.201  -0.843
  555   2HD2  LEU  34          2HD2      LEU  34   0.788  10.024  -1.913
  556   3HD2  LEU  34          3HD2      LEU  34   0.978   9.813  -0.160
  557    H    LYS  35           H        LYS  35   0.347  14.140   3.460
  558    HA   LYS  35           HA       LYS  35  -2.212  15.654   3.123
  559   2HB   LYS  35          2HB       LYS  35  -1.478  13.795   4.950
  560   2HG   LYS  35          2HG       LYS  35  -1.489  16.383   6.546
  561   2HD   LYS  35          2HD       LYS  35  -0.414  13.622   7.235
  562   2HE   LYS  35          2HE       LYS  35  -0.696  14.430   9.580
  563   1HZ   LYS  35          1HZ       LYS  35   1.468  14.753   8.519
  564   2HZ   LYS  35          2HZ       LYS  35   1.029  16.233   7.974
  565   3HZ   LYS  35          3HZ       LYS  35   1.168  15.961   9.581
  566    H    GLU  36           H        GLU  36   1.074  16.444   3.231
  567    HA   GLU  36           HA       GLU  36   0.697  19.063   4.578
  568   2HB   GLU  36          2HB       GLU  36   3.080  19.370   4.199
  569   2HG   GLU  36          2HG       GLU  36   2.653  16.540   5.213
  570    H    LYS  37           H        LYS  37   0.381  17.779   1.398
  571    HA   LYS  37           HA       LYS  37   0.670  20.534   0.219
  572   2HB   LYS  37          2HB       LYS  37   2.608  19.286  -0.285
  573   2HG   LYS  37          2HG       LYS  37   0.828  17.236  -1.641
  574   2HD   LYS  37          2HD       LYS  37   3.241  17.704  -2.511
  575   2HE   LYS  37          2HE       LYS  37   3.892  16.152   0.023
  576   1HZ   LYS  37          1HZ       LYS  37   5.491  15.959  -1.813
  577   2HZ   LYS  37          2HZ       LYS  37   5.646  17.586  -1.900
  578   3HZ   LYS  37          3HZ       LYS  37   6.168  16.790  -0.575
  579    HN2  GLY  38           HN2      GLY  38  -1.384  17.590   0.132
  580   1HA   GLY  38          1HA       GLY  38  -3.501  19.198   0.445
  581   2HA   GLY  38          2HA       GLY  38  -3.376  19.268  -1.311
  582    H    PHE  39           H        PHE  39  -2.396  16.125  -0.317
  583    HA   PHE  39           HA       PHE  39  -4.782  15.213  -1.647
  584   2HB   PHE  39          2HB       PHE  39  -3.573  13.097  -1.801
  585    HD1  PHE  39           HD1      PHE  39  -3.797  14.404  -4.077
  586    HD2  PHE  39           HD2      PHE  39  -0.429  14.728  -1.379
  587    HE1  PHE  39           HE1      PHE  39  -2.472  15.387  -5.872
  588    HE2  PHE  39           HE2      PHE  39   0.916  15.707  -3.216
  589    HZ   PHE  39           HZ       PHE  39  -0.092  16.073  -5.467
  590    H    LYS  40           H        LYS  40  -3.544  15.296   1.501
  591    HA   LYS  40           HA       LYS  40  -3.746  13.968   3.416
  592   2HB   LYS  40          2HB       LYS  40  -4.850  16.032   3.806
  593   2HG   LYS  40          2HG       LYS  40  -7.024  14.867   2.138
  594   2HD   LYS  40          2HD       LYS  40  -8.702  16.431   3.168
  595   2HE   LYS  40          2HE       LYS  40  -7.687  14.185   4.966
  596   1HZ   LYS  40          1HZ       LYS  40 -10.370  15.448   4.829
  597   2HZ   LYS  40          2HZ       LYS  40  -9.981  14.154   5.744
  598   3HZ   LYS  40          3HZ       LYS  40  -9.322  15.611   6.073
  599    H    VAL  41           H        VAL  41  -3.823  12.173   1.599
  600    HA   VAL  41           HA       VAL  41  -6.189  10.381   1.887
  601    HB   VAL  41           HB       VAL  41  -5.367  10.309  -0.291
  602   1HG1  VAL  41          1HG1      VAL  41  -3.014   9.686  -0.838
  603   2HG1  VAL  41          2HG1      VAL  41  -3.129  11.240  -0.030
  604   3HG1  VAL  41          3HG1      VAL  41  -2.594   9.803   0.876
  605   1HG2  VAL  41          1HG2      VAL  41  -4.507   7.946  -0.570
  606   2HG2  VAL  41          2HG2      VAL  41  -4.265   7.837   1.141
  607   3HG2  VAL  41          3HG2      VAL  41  -5.909   8.056   0.499
  608    H    ALA  42           H        ALA  42  -6.171   8.491   3.071
  609    HA   ALA  42           HA       ALA  42  -4.393   8.310   5.378
  610   1HB   ALA  42          1HB       ALA  42  -6.900   8.145   5.566
  611   2HB   ALA  42          2HB       ALA  42  -6.804   6.614   4.658
  612   3HB   ALA  42          3HB       ALA  42  -6.021   6.760   6.238
  613    H    ARG  43           H        ARG  43  -3.710   6.228   6.045
  614    HA   ARG  43           HA       ARG  43  -1.776   5.172   4.288
  615   2HB   ARG  43          2HB       ARG  43  -2.863   4.034   6.892
  616   2HG   ARG  43          2HG       ARG  43   0.034   4.040   6.072
  617   2HD   ARG  43          2HD       ARG  43  -1.617   2.240   7.908
  618    HE   ARG  43           HE       ARG  43   0.703   1.491   6.874
  619   1HH1  ARG  43          1HH1      ARG  43   0.304   2.692  10.161
  620   2HH1  ARG  43          2HH1      ARG  43   1.923   2.184  10.582
  621   1HH2  ARG  43          1HH2      ARG  43   2.688   1.225   7.401
  622   2HH2  ARG  43          2HH2      ARG  43   3.286   1.435   9.029
  623    H    ARG  44           H        ARG  44  -5.044   4.029   4.715
  624    HA   ARG  44           HA       ARG  44  -4.382   1.244   3.896
  625   2HB   ARG  44          2HB       ARG  44  -7.167   1.610   3.554
  626   2HG   ARG  44          2HG       ARG  44  -5.904  -0.318   4.589
  627   2HD   ARG  44          2HD       ARG  44  -6.189   1.314   7.142
  628    HE   ARG  44           HE       ARG  44  -5.278  -1.452   6.600
  629   1HH1  ARG  44          1HH1      ARG  44  -5.051   1.153   8.942
  630   2HH1  ARG  44          2HH1      ARG  44  -4.466   0.070  10.180
  631   1HH2  ARG  44          1HH2      ARG  44  -4.461  -2.684   8.125
  632   2HH2  ARG  44          2HH2      ARG  44  -4.051  -2.043   9.699
  633    H    THR  45           H        THR  45  -5.381   4.235   2.298
  634    HA   THR  45           HA       THR  45  -6.112   3.000  -0.197
  635    HB   THR  45           HB       THR  45  -5.380   5.862   0.511
  636    HG1  THR  45           HG1      THR  45  -7.206   6.143   1.525
  637   1HG2  THR  45          1HG2      THR  45  -5.779   5.321  -1.874
  638   2HG2  THR  45          2HG2      THR  45  -7.391   4.705  -1.453
  639   3HG2  THR  45          3HG2      THR  45  -6.995   6.426  -1.227
  640    H    VAL  46           H        VAL  46  -3.507   4.938   1.215
  641    HA   VAL  46           HA       VAL  46  -2.042   5.087  -1.142
  642    HB   VAL  46           HB       VAL  46  -1.954   6.381   1.239
  643   1HG1  VAL  46          1HG1      VAL  46   0.551   4.676   1.291
  644   2HG1  VAL  46          2HG1      VAL  46   0.172   6.089   2.266
  645   3HG1  VAL  46          3HG1      VAL  46  -0.812   4.624   2.438
  646   1HG2  VAL  46          1HG2      VAL  46   0.374   6.244  -0.692
  647   2HG2  VAL  46          2HG2      VAL  46  -1.105   7.188  -0.960
  648   3HG2  VAL  46          3HG2      VAL  46  -0.049   7.590   0.392
  649    H    ALA  47           H        ALA  47  -2.139   2.654   1.416
  650    HA   ALA  47           HA       ALA  47   0.260   1.254   0.764
  651   1HB   ALA  47          1HB       ALA  47  -0.764   1.126   2.983
  652   2HB   ALA  47          2HB       ALA  47  -2.254   0.458   2.296
  653   3HB   ALA  47          3HB       ALA  47  -0.744  -0.488   2.268
  654    H    LYS  48           H        LYS  48  -3.132   0.939  -0.164
  655    HA   LYS  48           HA       LYS  48  -2.803  -1.497  -1.736
  656   2HB   LYS  48          2HB       LYS  48  -5.180  -0.839  -2.477
  657   2HG   LYS  48          2HG       LYS  48  -4.543  -1.055   0.500
  658   2HD   LYS  48          2HD       LYS  48  -7.110  -2.064  -0.704
  659   2HE   LYS  48          2HE       LYS  48  -8.017  -1.465   1.503
  660   1HZ   LYS  48          1HZ       LYS  48  -6.723  -2.907   2.891
  661   2HZ   LYS  48          2HZ       LYS  48  -5.405  -2.813   1.922
  662   3HZ   LYS  48          3HZ       LYS  48  -6.764  -3.584   1.416
  663    H    TYR  49           H        TYR  49  -2.191   1.808  -2.312
  664    HA   TYR  49           HA       TYR  49  -2.314   1.608  -5.254
  665   2HB   TYR  49          2HB       TYR  49  -1.285   4.014  -4.904
  666    HD1  TYR  49           HD2      TYR  49  -4.453   2.241  -3.820
  667    HD2  TYR  49           HD1      TYR  49  -2.678   5.565  -5.897
  668    HE1  TYR  49           HE2      TYR  49  -6.657   2.775  -4.825
  669    HE2  TYR  49           HE1      TYR  49  -4.913   6.092  -6.940
  670    HH   TYR  49           HH       TYR  49  -7.773   4.679  -5.809
  671    H    ARG  50           H        ARG  50   0.336   2.200  -2.847
  672    HA   ARG  50           HA       ARG  50   2.434   1.832  -4.772
  673   2HB   ARG  50          2HB       ARG  50   2.843   2.765  -2.557
  674   2HG   ARG  50          2HG       ARG  50   1.506   0.576  -1.461
  675   2HD   ARG  50          2HD       ARG  50   3.205  -0.239   0.206
  676    HE   ARG  50           HE       ARG  50   4.237  -1.362  -2.311
  677   1HH1  ARG  50          1HH1      ARG  50   1.371  -1.580  -0.245
  678   2HH1  ARG  50          2HH1      ARG  50   1.329  -3.318  -0.525
  679   1HH2  ARG  50          1HH2      ARG  50   3.927  -3.511  -2.594
  680   2HH2  ARG  50          2HH2      ARG  50   2.577  -4.287  -1.740
  681    H    GLU  51           H        GLU  51   0.280  -0.470  -3.475
  682    HA   GLU  51           HA       GLU  51   1.769  -2.891  -4.188
  683   2HB   GLU  51          2HB       GLU  51  -1.224  -2.471  -3.857
  684   2HG   GLU  51          2HG       GLU  51   0.449  -4.988  -3.484
  685    H    MET  52           H        MET  52  -0.623  -0.847  -5.842
  686    HA   MET  52           HA       MET  52  -0.837  -2.779  -8.075
  687   2HB   MET  52          2HB       MET  52  -2.819  -1.588  -6.973
  688   2HG   MET  52          2HG       MET  52  -2.121   0.553  -9.017
  689   1HE   MET  52          1HE       MET  52  -3.599   2.600  -9.380
  690   2HE   MET  52          2HE       MET  52  -4.932   3.073  -8.309
  691   3HE   MET  52          3HE       MET  52  -3.266   3.022  -7.688
  692    H    LEU  53           H        LEU  53   0.616   0.369  -7.486
  693    HA   LEU  53           HA       LEU  53   1.301   0.965 -10.240
  694   2HB   LEU  53          2HB       LEU  53   3.097   2.361  -8.977
  695    HG   LEU  53           HG       LEU  53   0.556   2.989  -9.831
  696   1HD1  LEU  53          1HD1      LEU  53  -0.362   4.481  -7.922
  697   2HD1  LEU  53          2HD1      LEU  53  -0.661   2.739  -7.826
  698   3HD1  LEU  53          3HD1      LEU  53   0.599   3.493  -6.842
  699   1HD2  LEU  53          1HD2      LEU  53   2.429   4.813  -8.302
  700   2HD2  LEU  53          2HD2      LEU  53   2.647   4.303 -10.000
  701   3HD2  LEU  53          3HD2      LEU  53   1.279   5.303  -9.564
  702    HN2  GLY  54           HN2      GLY  54   3.551  -0.033  -7.610
  703   1HA   GLY  54          1HA       GLY  54   4.308  -2.464  -8.860
  704   2HA   GLY  54          2HA       GLY  54   5.401  -1.239  -9.485
  705    H    ILE  55           H        ILE  55   4.732  -0.628  -6.133
  706    HA   ILE  55           HA       ILE  55   7.531  -1.213  -5.592
  707    HB   ILE  55           HB       ILE  55   5.374   0.255  -4.119
  708   2HG1  ILE  55          2HG1      ILE  55   6.714   1.179  -6.149
  709   1HG2  ILE  55          1HG2      ILE  55   8.177  -0.399  -3.118
  710   2HG2  ILE  55          2HG2      ILE  55   7.130   0.848  -2.411
  711   3HG2  ILE  55          3HG2      ILE  55   6.636  -0.829  -2.341
  712   1HD1  ILE  55          1HD1      ILE  55   5.512   2.653  -4.582
  713   2HD1  ILE  55          2HD1      ILE  55   6.979   2.740  -3.565
  714   3HD1  ILE  55          3HD1      ILE  55   7.005   3.372  -5.221
  715    HA   PRO  56           HA       PRO  56   6.743  -5.246  -3.601
  716   2HB   PRO  56          2HB       PRO  56   8.865  -6.120  -3.228
  717   2HG   PRO  56          2HG       PRO  56   9.213  -5.203  -5.369
  718   2HD   PRO  56          2HD       PRO  56   8.558  -3.043  -5.879
  719    H    SER  57           H        SER  57   8.540  -2.882  -1.664
  720    HA   SER  57           HA       SER  57   6.280  -2.163  -0.080
  721   2HB   SER  57          2HB       SER  57   6.805  -4.248   1.195
  722    HG   SER  57           HG       SER  57   8.770  -4.516   2.104
  723    H    SER  58           H        SER  58   9.515  -1.781  -0.849
  724    HA   SER  58           HA       SER  58  11.192  -0.282  -0.491
  725   2HB   SER  58          2HB       SER  58  10.765   2.022   0.217
  726    HG   SER  58           HG       SER  58   9.254   2.470  -1.531
  727    H    ARG  59           H        ARG  59   9.710  -1.858   1.944
  728    HA   ARG  59           HA       ARG  59  11.629  -1.018   4.071
  729   2HB   ARG  59          2HB       ARG  59   9.312  -3.002   3.943
  730   2HG   ARG  59          2HG       ARG  59  11.073  -2.401   6.352
  731   2HD   ARG  59          2HD       ARG  59   8.394  -3.801   5.998
  732    HE   ARG  59           HE       ARG  59  10.429  -4.585   7.848
  733   1HH1  ARG  59          1HH1      ARG  59   6.976  -3.901   7.881
  734   2HH1  ARG  59          2HH1      ARG  59   6.689  -5.004   9.194
  735   1HH2  ARG  59          1HH2      ARG  59   9.977  -6.019   9.449
  736   2HH2  ARG  59          2HH2      ARG  59   8.319  -6.317   9.916
  737    H    GLU  60           H        GLU  60  11.341  -3.145   1.436
  738    HA   GLU  60           HA       GLU  60  13.641  -4.794   2.385
  739   2HB   GLU  60          2HB       GLU  60  11.475  -5.955   2.191
  740   2HG   GLU  60          2HG       GLU  60  10.863  -4.739  -0.101
  741    H    ARG  61           H        ARG  61  12.756  -2.558   0.016
  742    HA   ARG  61           HA       ARG  61  14.519  -3.354  -2.166
  743   2HB   ARG  61          2HB       ARG  61  14.159  -1.029  -2.978
  744   2HG   ARG  61          2HG       ARG  61  11.605  -2.351  -1.977
  745   2HD   ARG  61          2HD       ARG  61  11.462   0.113  -2.557
  746    HE   ARG  61           HE       ARG  61  12.512  -0.799  -5.141
  747   1HH1  ARG  61          1HH1      ARG  61  10.631   1.711  -3.551
  748   2HH1  ARG  61          2HH1      ARG  61  10.921   2.841  -4.877
  749   1HH2  ARG  61          1HH2      ARG  61  12.751   0.688  -6.778
  750   2HH2  ARG  61          2HH2      ARG  61  11.998   2.265  -6.642
  751    H    ARG  62           H        ARG  62  14.832  -1.055   0.526
  752    HA   ARG  62           HA       ARG  62  17.423  -0.010  -0.288
  753   2HB   ARG  62          2HB       ARG  62  15.580   0.246   2.109
  754   2HG   ARG  62          2HG       ARG  62  17.348   2.482   1.969
  755   2HD   ARG  62          2HD       ARG  62  17.143   0.244   3.995
  756    HE   ARG  62           HE       ARG  62  18.597   2.785   4.048
  757   1HH1  ARG  62          1HH1      ARG  62  16.893   0.630   6.220
  758   2HH1  ARG  62          2HH1      ARG  62  17.736   1.247   7.622
  759   1HH2  ARG  62          1HH2      ARG  62  19.639   3.487   5.821
  760   2HH2  ARG  62          2HH2      ARG  62  19.261   2.831   7.394
  761    H    ILE  63           H        ILE  63  16.405  -1.960   2.442
  762    HA   ILE  63           HA       ILE  63  18.821  -2.089   3.792
  763    HB   ILE  63           HB       ILE  63  16.501  -2.564   4.648
  764   2HG1  ILE  63          2HG1      ILE  63  18.698  -4.490   5.504
  765   1HG2  ILE  63          1HG2      ILE  63  15.592  -4.789   4.607
  766   2HG2  ILE  63          2HG2      ILE  63  15.896  -4.284   2.938
  767   3HG2  ILE  63          3HG2      ILE  63  17.001  -5.421   3.736
  768   1HD1  ILE  63          1HD1      ILE  63  17.760  -1.795   6.606
  769   2HD1  ILE  63          2HD1      ILE  63  18.902  -2.883   7.416
  770   3HD1  ILE  63          3HD1      ILE  63  19.348  -2.124   5.878
  Start of MODEL   11
    1   1H5*    T  64          1H5*        T  64   9.853  -4.795  19.309
    2   2H5*    T  64          2H5*        T  64   9.461  -3.079  19.193
    3    H4*    T  64           H4*        T  64  10.659  -3.670  17.243
    4    H3*    T  64           H3*        T  64   7.728  -3.362  16.580
    5   1H2*    T  64          1H2*        T  64   8.236  -3.785  14.372
    6   2H2*    T  64          2H2*        T  64   9.980  -3.417  14.585
    7    H1*    T  64           H1*        T  64  10.203  -5.669  14.737
    8    H3     T  64           H3         T  64   7.066  -8.236  12.857
    9   1H5M    T  64          1H5M        T  64   4.280  -7.741  16.642
   10   2H5M    T  64          2H5M        T  64   5.588  -8.344  17.684
   11   3H5M    T  64          3H5M        T  64   5.184  -6.613  17.668
   12    H6     T  64           H6         T  64   7.364  -5.814  17.011
   13    H5T    T  64           H5T        T  64   7.332  -3.558  18.844
   14   1H5*    T  65          1H5*        T  65   9.993  -1.241  13.704
   15   2H5*    T  65          2H5*        T  65   9.298   0.308  13.195
   16    H4*    T  65           H4*        T  65   9.562  -1.349  11.294
   17    H3*    T  65           H3*        T  65   6.866  -0.306  12.084
   18   1H2*    T  65          1H2*        T  65   5.726  -1.816  10.941
   19   2H2*    T  65          2H2*        T  65   6.901  -1.902   9.599
   20    H1*    T  65           H1*        T  65   7.952  -3.649  10.441
   21    H3     T  65           H3         T  65   4.630  -6.661  10.991
   22   1H5M    T  65          1H5M        T  65   3.763  -3.441  14.962
   23   2H5M    T  65          2H5M        T  65   3.779  -5.171  15.356
   24   3H5M    T  65          3H5M        T  65   5.215  -4.183  15.670
   25    H6     T  65           H6         T  65   6.184  -2.951  13.644
   26   1H5*    T  66          1H5*        T  66   8.113  -0.777   7.922
   27   2H5*    T  66          2H5*        T  66   7.689   0.497   6.777
   28    H4*    T  66           H4*        T  66   7.422  -1.751   5.776
   29    H3*    T  66           H3*        T  66   5.515   0.274   5.612
   30   1H2*    T  66          1H2*        T  66   4.055  -0.646   7.180
   31   2H2*    T  66          2H2*        T  66   3.409  -1.441   5.736
   32    H1*    T  66           H1*        T  66   4.735  -3.405   6.074
   33    H3     T  66           H3         T  66   2.118  -5.733   8.947
   34   1H5M    T  66          1H5M        T  66   3.040  -0.875  11.167
   35   2H5M    T  66          2H5M        T  66   1.921  -2.043  11.893
   36   3H5M    T  66          3H5M        T  66   3.669  -2.196  12.178
   37    H6     T  66           H6         T  66   4.260  -1.416   9.212
   38   1H5*    T  67          1H5*        T  67   4.835  -3.736   3.904
   39   2H5*    T  67          2H5*        T  67   4.506  -3.690   2.174
   40    H4*    T  67           H4*        T  67   3.461  -5.626   3.283
   41    H3*    T  67           H3*        T  67   2.183  -3.823   1.527
   42   1H2*    T  67          1H2*        T  67   0.649  -3.041   3.158
   43   2H2*    T  67          2H2*        T  67  -0.270  -4.500   2.655
   44    H1*    T  67           H1*        T  67   0.776  -5.829   4.381
   45    H3     T  67           H3         T  67  -2.317  -4.847   7.559
   46   1H5M    T  67          1H5M        T  67  -0.047  -0.413   7.701
   47   2H5M    T  67          2H5M        T  67   0.488  -1.407   9.073
   48   3H5M    T  67          3H5M        T  67   1.585  -1.113   7.716
   49    H6     T  67           H6         T  67   1.489  -2.490   5.800
   50   1H5*    G  68          1H5*        G  68   0.415  -8.362   2.003
   51   2H5*    G  68          2H5*        G  68   0.096  -8.907   0.349
   52    H4*    G  68           H4*        G  68  -1.484  -9.900   1.913
   53    H3*    G  68           H3*        G  68  -2.327  -8.567  -0.438
   54    H1*    G  68           H1*        G  68  -4.109  -8.490   2.933
   55    H8     G  68           H8         G  68  -2.681  -4.977   1.977
   56    H1     G  68           H1         G  68  -5.945  -5.352   7.557
   57   1H2     G  68          1H2         G  68  -6.929  -7.387   7.580
   58   2H2     G  68          2H2         G  68  -6.318  -8.646   6.518
   59   1H2*    G  68          1H2*        G  68  -3.226  -6.728   0.621
   60   2H2*    G  68          2H2*        G  68  -4.663  -7.783   0.738
   61   1H5*    G  69          1H5*        G  69  -5.369 -11.272   2.046
   62   2H5*    G  69          2H5*        G  69  -6.205 -12.293   0.868
   63    H4*    G  69           H4*        G  69  -7.696 -11.862   2.690
   64    H3*    G  69           H3*        G  69  -8.399 -11.220   0.028
   65    H1*    G  69           H1*        G  69  -9.376  -9.313   3.179
   66    H8     G  69           H8         G  69  -6.975  -7.151   0.981
   67    H1     G  69           H1         G  69  -9.324  -4.230   6.243
   68   1H2     G  69          1H2         G  69 -10.775  -5.610   7.237
   69   2H2     G  69          2H2         G  69 -11.029  -7.222   6.582
   70   1H2*    G  69          1H2*        G  69  -8.309  -8.906   0.348
   71   2H2*    G  69          2H2*        G  69  -9.999  -9.159   0.860
   72   1H5*    C  70          1H5*        C  70 -11.652 -11.224   3.449
   73   2H5*    C  70          2H5*        C  70 -13.147 -11.958   2.859
   74    H4*    C  70           H4*        C  70 -13.658 -10.208   4.434
   75    H3*    C  70           H3*        C  70 -14.747 -10.208   1.792
   76    H1*    C  70           H1*        C  70 -13.957  -7.377   4.091
   77   1H4     C  70          1H4         C  70 -10.506  -2.370   2.601
   78   2H4     C  70          2H4         C  70  -9.692  -3.160   1.248
   79    H5     C  70           H5         C  70  -9.949  -5.540   0.857
   80    H6     C  70           H6         C  70 -11.376  -7.498   1.383
   81   1H2*    C  70          1H2*        C  70 -13.634  -8.234   1.181
   82   2H2*    C  70          2H2*        C  70 -15.068  -7.487   1.941
   83   1H5*    A  71          1H5*        A  71 -17.113  -7.997   5.509
   84   2H5*    A  71          2H5*        A  71 -18.838  -8.040   5.126
   85    H4*    A  71           H4*        A  71 -18.268  -5.984   6.307
   86    H3*    A  71           H3*        A  71 -19.126  -5.704   3.431
   87    H1*    A  71           H1*        A  71 -16.584  -3.373   5.302
   88    H8     A  71           H8         A  71 -16.512  -5.768   2.271
   89   1H6     A  71          1H6         A  71 -12.670  -1.254   0.118
   90   2H6     A  71          2H6         A  71 -13.206  -2.890  -0.299
   91    H2     A  71           H2         A  71 -14.590   0.231   3.590
   92   1H2*    A  71          1H2*        A  71 -18.678  -3.407   3.454
   93   2H2*    A  71          2H2*        A  71 -18.800  -3.310   5.238
   94   1H5*    C  72          1H5*        C  72 -20.749  -3.038   6.777
   95   2H5*    C  72          2H5*        C  72 -22.410  -2.489   6.522
   96    H4*    C  72           H4*        C  72 -21.000  -0.624   7.230
   97    H3*    C  72           H3*        C  72 -21.878  -0.513   4.336
   98    H1*    C  72           H1*        C  72 -18.706   1.027   5.892
   99   1H4     C  72          1H4         C  72 -15.719   0.299   0.353
  100   2H4     C  72          2H4         C  72 -17.006  -0.677  -0.247
  101    H5     C  72           H5         C  72 -18.760  -1.561   1.127
  102    H6     C  72           H6         C  72 -19.969  -1.227   3.254
  103   1H2*    C  72          1H2*        C  72 -20.825   1.544   4.149
  104   2H2*    C  72          2H2*        C  72 -20.802   1.826   5.915
  105   1H5*    G  73          1H5*        G  73 -22.665   3.262   6.072
  106   2H5*    G  73          2H5*        G  73 -24.144   4.060   5.499
  107    H4*    G  73           H4*        G  73 -22.174   5.494   5.200
  108    H3*    G  73           H3*        G  73 -23.397   4.475   2.627
  109    H1*    G  73           H1*        G  73 -19.614   5.086   3.081
  110    H8     G  73           H8         G  73 -22.184   2.301   2.522
  111    H1     G  73           H1         G  73 -17.256   2.492  -1.653
  112   1H2     G  73          1H2         G  73 -16.541   4.622  -1.740
  113   2H2     G  73          2H2         G  73 -16.987   5.719  -0.432
  114   1H2*    G  73          1H2*        G  73 -21.709   5.741   1.473
  115   2H2*    G  73          2H2*        G  73 -21.283   6.652   2.955
  116   1H5*    T  74          1H5*        T  74 -22.242   8.467   2.217
  117   2H5*    T  74          2H5*        T  74 -23.389   9.547   1.407
  118    H4*    T  74           H4*        T  74 -21.095   9.627   0.373
  119    H3*    T  74           H3*        T  74 -23.327   8.470  -1.311
  120   1H2*    T  74          1H2*        T  74 -21.723   8.257  -3.056
  121   2H2*    T  74          2H2*        T  74 -20.605   9.408  -2.272
  122    H1*    T  74           H1*        T  74 -19.589   7.656  -1.380
  123    H3     T  74           H3         T  74 -19.996   3.807  -3.882
  124   1H5M    T  74          1H5M        T  74 -23.318   2.496  -0.752
  125   2H5M    T  74          2H5M        T  74 -23.764   4.026   0.026
  126   3H5M    T  74          3H5M        T  74 -24.419   3.619  -1.576
  127    H6     T  74           H6         T  74 -22.600   6.080  -0.531
  128   1H5*    T  75          1H5*        T  75 -20.876  11.224  -3.368
  129   2H5*    T  75          2H5*        T  75 -21.733  12.425  -4.330
  130    H4*    T  75           H4*        T  75 -19.978  11.259  -5.623
  131    H3*    T  75           H3*        T  75 -22.749  11.549  -6.363
  132   1H2*    T  75          1H2*        T  75 -23.237   9.493  -6.884
  133   2H2*    T  75          2H2*        T  75 -22.147   9.608  -8.284
  134    H1*    T  75           H1*        T  75 -20.449   8.550  -7.240
  135    H3     T  75           H3         T  75 -21.704   4.207  -6.736
  136   1H5M    T  75          1H5M        T  75 -24.902   5.404  -3.523
  137   2H5M    T  75          2H5M        T  75 -24.217   6.935  -2.949
  138   3H5M    T  75          3H5M        T  75 -25.421   6.936  -4.256
  139    H6     T  75           H6         T  75 -23.087   8.446  -4.916
  140   1H5*    T  76          1H5*        T  76 -19.503  10.715  -9.591
  141   2H5*    T  76          2H5*        T  76 -19.686  11.718 -11.038
  142    H4*    T  76           H4*        T  76 -19.092   9.439 -11.681
  143    H3*    T  76           H3*        T  76 -21.766  10.523 -12.415
  144   1H2*    T  76          1H2*        T  76 -22.816   8.540 -12.499
  145   2H2*    T  76          2H2*        T  76 -21.517   7.842 -13.503
  146    H1*    T  76           H1*        T  76 -20.448   6.871 -11.833
  147    H3     T  76           H3         T  76 -23.165   3.876  -9.704
  148   1H5M    T  76          1H5M        T  76 -24.689   7.751  -7.235
  149   2H5M    T  76          2H5M        T  76 -24.865   8.910  -8.558
  150   3H5M    T  76          3H5M        T  76 -26.001   7.543  -8.424
  151    H6     T  76           H6         T  76 -23.136   8.685 -10.033
  152   1H5*    C  77          1H5*        C  77 -19.496   7.888 -15.489
  153   2H5*    C  77          2H5*        C  77 -19.922   8.267 -17.162
  154    H4*    C  77           H4*        C  77 -20.100   5.888 -16.893
  155    H3*    C  77           H3*        C  77 -22.879   7.084 -16.813
  156    H1*    C  77           H1*        C  77 -21.440   3.802 -15.311
  157   1H4     C  77          1H4         C  77 -26.439   4.048 -11.444
  158   2H4     C  77          2H4         C  77 -26.571   5.810 -11.555
  159    H5     C  77           H5         C  77 -25.073   7.109 -12.958
  160    H6     C  77           H6         C  77 -23.157   6.905 -14.580
  161    H3T    C  77           H3T        C  77 -21.775   7.364 -18.820
  162   1H2*    C  77          1H2*        C  77 -23.661   4.868 -16.752
  163   2H2*    C  77          2H2*        C  77 -22.144   4.210 -17.439
  164   1H5*    G  78          1H5*        G  78 -32.254  -4.716 -12.901
  165   2H5*    G  78          2H5*        G  78 -31.515  -6.028 -11.969
  166    H4*    G  78           H4*        G  78 -30.098  -5.596 -13.831
  167    H3*    G  78           H3*        G  78 -28.970  -4.512 -11.234
  168    H1*    G  78           H1*        G  78 -28.407  -2.857 -14.737
  169    H8     G  78           H8         G  78 -30.304  -2.083 -11.592
  170    H1     G  78           H1         G  78 -25.526   2.067 -12.837
  171   1H2     G  78          1H2         G  78 -24.169   1.114 -14.320
  172   2H2     G  78          2H2         G  78 -24.639  -0.400 -15.103
  173   1H2*    G  78          1H2*        G  78 -27.201  -3.579 -12.341
  174   2H2*    G  78          2H2*        G  78 -27.366  -4.654 -13.780
  175    H5T    G  78           H5T        G  78 -32.319  -4.338 -10.619
  176   1H5*    A  79          1H5*        A  79 -25.674  -6.005 -13.236
  177   2H5*    A  79          2H5*        A  79 -24.640  -7.017 -12.224
  178    H4*    A  79           H4*        A  79 -23.403  -5.073 -13.160
  179    H3*    A  79           H3*        A  79 -23.775  -5.243 -10.176
  180    H1*    A  79           H1*        A  79 -23.218  -2.170 -12.580
  181    H8     A  79           H8         A  79 -26.166  -2.929 -10.296
  182   1H6     A  79          1H6         A  79 -25.308   3.011  -8.347
  183   2H6     A  79          2H6         A  79 -26.445   1.662  -8.202
  184    H2     A  79           H2         A  79 -21.990   2.005 -10.805
  185   1H2*    A  79          1H2*        A  79 -22.774  -3.188  -9.909
  186   2H2*    A  79          2H2*        A  79 -21.786  -3.373 -11.391
  187   1H5*    A  80          1H5*        A  80 -19.972  -4.647 -12.415
  188   2H5*    A  80          2H5*        A  80 -18.454  -5.301 -11.780
  189    H4*    A  80           H4*        A  80 -18.321  -2.871 -12.589
  190    H3*    A  80           H3*        A  80 -17.591  -3.576  -9.721
  191    H1*    A  80           H1*        A  80 -19.060  -0.278 -11.214
  192    H8     A  80           H8         A  80 -20.646  -2.879  -8.872
  193   1H6     A  80          1H6         A  80 -22.924   2.190  -5.910
  194   2H6     A  80          2H6         A  80 -23.008   0.428  -5.915
  195    H2     A  80           H2         A  80 -20.151   3.543  -8.898
  196   1H2*    A  80          1H2*        A  80 -17.574  -1.469  -9.147
  197   2H2*    A  80          2H2*        A  80 -17.016  -0.872 -10.743
  198   1H5*    A  81          1H5*        A  81 -14.930  -0.735 -11.785
  199   2H5*    A  81          2H5*        A  81 -13.212  -0.979 -11.425
  200    H4*    A  81           H4*        A  81 -13.919   1.380 -10.931
  201    H3*    A  81           H3*        A  81 -12.913  -0.463  -8.811
  202    H1*    A  81           H1*        A  81 -15.375   2.590  -8.630
  203    H8     A  81           H8         A  81 -16.076  -1.129  -7.807
  204   1H6     A  81          1H6         A  81 -20.457   1.302  -3.990
  205   2H6     A  81          2H6         A  81 -19.716  -0.235  -4.448
  206    H2     A  81           H2         A  81 -18.569   4.552  -6.068
  207   1H2*    A  81          1H2*        A  81 -13.895   0.560  -7.108
  208   2H2*    A  81          2H2*        A  81 -13.436   2.182  -7.704
  209   1H5*    C  82          1H5*        C  82 -11.857   4.014  -8.811
  210   2H5*    C  82          2H5*        C  82 -10.210   4.365  -8.267
  211    H4*    C  82           H4*        C  82 -11.778   5.894  -7.178
  212    H3*    C  82           H3*        C  82 -10.293   3.892  -5.583
  213    H1*    C  82           H1*        C  82 -13.758   5.591  -4.957
  214   1H4     C  82          1H4         C  82 -17.557   1.156  -2.626
  215   2H4     C  82          2H4         C  82 -16.433  -0.049  -3.146
  216    H5     C  82           H5         C  82 -14.540   0.384  -4.606
  217    H6     C  82           H6         C  82 -13.109   2.087  -5.507
  218   1H2*    C  82          1H2*        C  82 -11.744   3.654  -3.963
  219   2H2*    C  82          2H2*        C  82 -11.861   5.417  -3.690
  220   1H5*    G  83          1H5*        G  83 -10.155   8.242  -3.258
  221   2H5*    G  83          2H5*        G  83  -8.552   8.193  -2.521
  222    H4*    G  83           H4*        G  83 -10.158   9.032  -0.987
  223    H3*    G  83           H3*        G  83  -8.331   7.416  -0.163
  224    H1*    G  83           H1*        G  83 -11.982   6.519   0.762
  225    H8     G  83           H8         G  83 -10.216   4.113  -1.699
  226    H1     G  83           H1         G  83 -15.697   1.866   0.851
  227   1H2     G  83          1H2         G  83 -16.250   3.241   2.532
  228   2H2     G  83          2H2         G  83 -15.521   4.836   2.648
  229   1H2*    G  83          1H2*        G  83  -9.411   5.407  -0.380
  230   2H2*    G  83          2H2*        G  83  -9.879   5.705   1.303
  231   1H5*    T  84          1H5*        T  84 -11.705   7.738   3.400
  232   2H5*    T  84          2H5*        T  84 -10.697   8.326   4.748
  233    H4*    T  84           H4*        T  84 -12.213   6.618   5.591
  234    H3*    T  84           H3*        T  84  -9.419   6.521   5.970
  235   1H2*    T  84          1H2*        T  84  -9.052   4.816   4.391
  236   2H2*    T  84          2H2*        T  84  -9.328   3.794   5.832
  237    H1*    T  84           H1*        T  84 -11.653   3.589   5.373
  238    H3     T  84           H3         T  84 -12.854   0.655   2.127
  239   1H5M    T  84          1H5M        T  84  -8.553   2.668   0.127
  240   2H5M    T  84          2H5M        T  84  -7.758   1.765   1.447
  241   3H5M    T  84          3H5M        T  84  -8.669   0.905   0.196
  242    H6     T  84           H6         T  84  -9.053   3.553   2.712
  243   1H5*    G  85          1H5*        G  85 -12.492   5.078   9.411
  244   2H5*    G  85          2H5*        G  85 -11.650   5.105  10.970
  245    H4*    G  85           H4*        G  85 -13.336   3.360  11.031
  246    H3*    G  85           H3*        G  85 -10.488   2.626  11.119
  247    H1*    G  85           H1*        G  85 -13.372   0.547   9.283
  248    H8     G  85           H8         G  85 -10.413   2.529   7.783
  249    H1     G  85           H1         G  85 -12.098  -2.785   4.534
  250   1H2     G  85          1H2         G  85 -13.640  -3.886   5.753
  251   2H2     G  85          2H2         G  85 -14.195  -3.219   7.290
  252   1H2*    G  85          1H2*        G  85 -10.569   0.662  10.069
  253   2H2*    G  85          2H2*        G  85 -11.995   0.126  10.995
  254   1H5*    C  86          1H5*        C  86 -13.013  -0.534  13.286
  255   2H5*    C  86          2H5*        C  86 -12.251  -0.949  14.827
  256    H4*    C  86           H4*        C  86 -12.843  -2.973  13.597
  257    H3*    C  86           H3*        C  86 -10.031  -2.363  14.245
  258    H1*    C  86           H1*        C  86 -11.605  -4.410  11.272
  259   1H4     C  86          1H4         C  86  -8.741  -2.463   5.931
  260   2H4     C  86          2H4         C  86  -8.098  -1.093   6.777
  261    H5     C  86           H5         C  86  -8.486  -0.537   9.031
  262    H6     C  86           H6         C  86  -9.510  -1.338  11.121
  263   1H2*    C  86          1H2*        C  86  -9.098  -3.263  12.422
  264   2H2*    C  86          2H2*        C  86  -9.917  -4.805  12.718
  265   1H5*    C  87          1H5*        C  87 -11.570  -6.775  14.380
  266   2H5*    C  87          2H5*        C  87 -10.692  -7.812  15.516
  267    H4*    C  87           H4*        C  87 -10.942  -8.912  13.332
  268    H3*    C  87           H3*        C  87  -8.136  -8.080  14.086
  269    H1*    C  87           H1*        C  87  -9.809  -8.531  10.577
  270   1H4     C  87          1H4         C  87  -6.816  -3.719   7.804
  271   2H4     C  87          2H4         C  87  -6.244  -3.147   9.357
  272    H5     C  87           H5         C  87  -6.571  -4.206  11.325
  273    H6     C  87           H6         C  87  -7.711  -6.083  12.516
  274   1H2*    C  87          1H2*        C  87  -7.340  -8.825  12.013
  275   2H2*    C  87          2H2*        C  87  -8.676  -9.985  11.815
  276   1H5*    A  88          1H5*        A  88  -7.849 -11.974  12.452
  277   2H5*    A  88          2H5*        A  88  -6.873 -13.077  13.422
  278    H4*    A  88           H4*        A  88  -6.140 -12.889  11.042
  279    H3*    A  88           H3*        A  88  -4.419 -13.109  13.199
  280    H1*    A  88           H1*        A  88  -3.822 -10.708  10.395
  281    H8     A  88           H8         A  88  -5.034  -8.596  13.442
  282   1H6     A  88          1H6         A  88  -3.027  -3.875   9.836
  283   2H6     A  88          2H6         A  88  -3.725  -4.211  11.427
  284    H2     A  88           H2         A  88  -2.743  -7.448   7.508
  285   1H2*    A  88          1H2*        A  88  -4.147 -10.727  13.436
  286   2H2*    A  88          2H2*        A  88  -2.706 -11.166  12.478
  287   1H5*    A  89          1H5*        A  89  -4.711 -13.736   8.702
  288   2H5*    A  89          2H5*        A  89  -4.220 -15.172   7.797
  289    H4*    A  89           H4*        A  89  -3.614 -13.234   6.522
  290    H3*    A  89           H3*        A  89  -1.598 -15.063   7.369
  291    H1*    A  89           H1*        A  89  -1.330 -11.298   6.834
  292    H8     A  89           H8         A  89  -1.322 -12.111  10.644
  293   1H6     A  89          1H6         A  89   0.849  -6.246  11.135
  294   2H6     A  89          2H6         A  89   0.335  -7.635  12.096
  295    H2     A  89           H2         A  89   0.544  -7.168   6.939
  296   1H2*    A  89          1H2*        A  89  -0.493 -13.535   8.730
  297   2H2*    A  89          2H2*        A  89   0.263 -13.045   7.183
  298   1H5*    A  90          1H5*        A  90  -0.071 -12.008   4.075
  299   2H5*    A  90          2H5*        A  90   0.737 -12.966   2.824
  300    H4*    A  90           H4*        A  90   2.011 -10.968   3.188
  301    H3*    A  90           H3*        A  90   3.192 -13.559   3.639
  302    H1*    A  90           H1*        A  90   3.934 -10.177   5.334
  303    H8     A  90           H8         A  90   2.368 -12.846   7.722
  304   1H6     A  90          1H6         A  90   3.329  -8.390  12.052
  305   2H6     A  90          2H6         A  90   2.613  -9.990  11.833
  306    H2     A  90           H2         A  90   5.149  -7.064   8.403
  307   1H2*    A  90          1H2*        A  90   3.762 -13.176   5.825
  308   2H2*    A  90          2H2*        A  90   5.116 -12.234   5.140
  309   1H5*    A  91          1H5*        A  91   6.016  -9.904   2.613
  310   2H5*    A  91          2H5*        A  91   7.474 -10.419   1.753
  311    H4*    A  91           H4*        A  91   8.072  -8.822   3.490
  312    H3*    A  91           H3*        A  91   8.843 -11.680   4.200
  313    H1*    A  91           H1*        A  91   8.109  -8.458   6.218
  314    H8     A  91           H8         A  91   6.953 -12.104   6.622
  315   1H6     A  91          1H6         A  91   6.102 -10.312  12.602
  316   2H6     A  91          2H6         A  91   5.936 -11.708  11.538
  317    H2     A  91           H2         A  91   7.846  -7.004  10.461
  318    H3T    A  91           H3T        A  91   9.996 -10.732   2.445
  319   1H2*    A  91          1H2*        A  91   9.655 -10.955   6.219
  320   2H2*    A  91          2H2*        A  91  10.093  -9.336   5.598
  321   1H    HIS   1          1H        HIS   1 -16.221   8.572  -3.599
  322   2H    HIS   1          2H        HIS   1 -15.196   8.134  -2.397
  323   3H    HIS   1          3H        HIS   1 -15.544   7.071  -3.591
  324    HA   HIS   1           HA       HIS   1 -13.358   7.981  -3.933
  325   2HB   HIS   1          2HB       HIS   1 -14.493   7.385  -5.953
  326    HD1  HIS   1           HD1      HIS   1 -15.509  11.182  -5.950
  327    HD2  HIS   1           HD2      HIS   1 -16.888   7.295  -6.886
  328    HE1  HIS   1           HE1      HIS   1 -17.789  11.471  -7.026
  329    H    MET   2           H        MET   2 -11.982   9.698  -4.223
  330    HA   MET   2           HA       MET   2 -12.958  12.419  -3.427
  331   2HB   MET   2          2HB       MET   2 -11.021  12.720  -1.981
  332   2HG   MET   2          2HG       MET   2 -12.436  10.160  -1.170
  333   1HE   MET   2          1HE       MET   2 -12.026  10.295   2.623
  334   2HE   MET   2          2HE       MET   2 -13.428  10.685   1.601
  335   3HE   MET   2          3HE       MET   2 -12.391   9.295   1.204
  336    H    LEU   3           H        LEU   3 -10.162  10.563  -4.772
  337    HA   LEU   3           HA       LEU   3  -9.185  12.988  -6.132
  338   2HB   LEU   3          2HB       LEU   3  -7.117  11.500  -6.338
  339    HG   LEU   3           HG       LEU   3  -8.032  11.769  -3.453
  340   1HD1  LEU   3          1HD1      LEU   3  -5.768  11.761  -2.899
  341   2HD1  LEU   3          2HD1      LEU   3  -5.854  10.556  -4.188
  342   3HD1  LEU   3          3HD1      LEU   3  -5.234  12.151  -4.582
  343   1HD2  LEU   3          1HD2      LEU   3  -6.898  13.825  -5.376
  344   2HD2  LEU   3          2HD2      LEU   3  -8.377  13.966  -4.396
  345   3HD2  LEU   3          3HD2      LEU   3  -6.807  14.014  -3.605
  346    H    THR   4           H        THR   4  -7.831  12.334  -8.067
  347    HA   THR   4           HA       THR   4  -9.733  11.801 -10.222
  348    HB   THR   4           HB       THR   4  -7.961  12.429 -11.735
  349    HG1  THR   4           HG1      THR   4  -5.909  12.928 -10.841
  350   1HG2  THR   4          1HG2      THR   4  -7.827  14.242  -9.301
  351   2HG2  THR   4          2HG2      THR   4  -7.409  14.655 -10.976
  352   3HG2  THR   4          3HG2      THR   4  -9.085  14.274 -10.552
  353    H    GLN   5           H        GLN   5  -8.193  10.599 -12.208
  354    HA   GLN   5           HA       GLN   5  -8.425   7.835 -11.938
  355   2HB   GLN   5          2HB       GLN   5  -8.184   9.121 -14.015
  356   2HG   GLN   5          2HG       GLN   5  -5.181   9.198 -13.486
  357   1HE2  GLN   5          1HE2      GLN   5  -5.860   8.053 -15.837
  358   2HE2  GLN   5          2HE2      GLN   5  -5.802   9.240 -17.144
  359    HN2  GLY   6           HN2      GLY   6  -5.798   9.880 -10.698
  360   1HA   GLY   6          1HA       GLY   6  -5.057   7.895  -8.835
  361   2HA   GLY   6          2HA       GLY   6  -3.901   7.823 -10.173
  362    H    GLU   7           H        GLU   7  -5.457  10.654  -8.372
  363    HA   GLU   7           HA       GLU   7  -3.111  12.201  -8.649
  364   2HB   GLU   7          2HB       GLU   7  -4.755  13.165  -6.495
  365   2HG   GLU   7          2HG       GLU   7  -4.522  13.892  -9.440
  366    H    LEU   8           H        LEU   8  -3.784   9.759  -6.430
  367    HA   LEU   8           HA       LEU   8  -1.383  10.562  -4.805
  368   2HB   LEU   8          2HB       LEU   8  -3.523  10.216  -3.595
  369    HG   LEU   8           HG       LEU   8  -3.835   7.857  -5.025
  370   1HD1  LEU   8          1HD1      LEU   8  -2.839   7.189  -2.202
  371   2HD1  LEU   8          2HD1      LEU   8  -3.504   6.019  -3.334
  372   3HD1  LEU   8          3HD1      LEU   8  -1.952   6.803  -3.693
  373   1HD2  LEU   8          1HD2      LEU   8  -5.793   8.446  -4.110
  374   2HD2  LEU   8          2HD2      LEU   8  -5.384   7.211  -2.931
  375   3HD2  LEU   8          3HD2      LEU   8  -5.082   8.916  -2.547
  376    H    MET   9           H        MET   9  -2.338   8.461  -7.318
  377    HA   MET   9           HA       MET   9  -0.665   6.146  -6.652
  378   2HB   MET   9          2HB       MET   9  -2.823   6.781  -8.534
  379   2HG   MET   9          2HG       MET   9  -0.459   5.258  -9.574
  380   1HE   MET   9          1HE       MET   9  -1.998   3.794 -12.912
  381   2HE   MET   9          2HE       MET   9  -1.215   5.369 -12.644
  382   3HE   MET   9          3HE       MET   9  -0.539   3.894 -11.910
  383    H    LYS  10           H        LYS  10  -0.644   8.618  -9.194
  384    HA   LYS  10           HA       LYS  10   1.989   7.757 -10.156
  385   2HB   LYS  10          2HB       LYS  10   0.246   8.375 -11.691
  386   2HG   LYS  10          2HG       LYS  10   0.457  11.310 -11.209
  387   2HD   LYS  10          2HD       LYS  10  -1.980   9.553 -11.744
  388   2HE   LYS  10          2HE       LYS  10  -2.430  11.830 -10.858
  389   1HZ   LYS  10          1HZ       LYS  10  -2.050  13.684 -12.385
  390   2HZ   LYS  10          2HZ       LYS  10  -0.613  13.047 -11.950
  391   3HZ   LYS  10          3HZ       LYS  10  -1.237  12.731 -13.428
  392    H    LEU  11           H        LEU  11   1.673   8.927  -7.448
  393    HA   LEU  11           HA       LEU  11   3.684  11.131  -7.396
  394   2HB   LEU  11          2HB       LEU  11   2.426  11.915  -5.345
  395    HG   LEU  11           HG       LEU  11   0.602  13.089  -6.325
  396   1HD1  LEU  11          1HD1      LEU  11   2.859  12.908  -8.351
  397   2HD1  LEU  11          2HD1      LEU  11   1.741  14.272  -8.127
  398   3HD1  LEU  11          3HD1      LEU  11   2.905  13.858  -6.848
  399   1HD2  LEU  11          1HD2      LEU  11  -0.129  11.030  -7.768
  400   2HD2  LEU  11          2HD2      LEU  11  -0.387  12.670  -8.418
  401   3HD2  LEU  11          3HD2      LEU  11   0.991  11.708  -8.962
  402    H    ILE  12           H        ILE  12   2.235   8.277  -5.682
  403    HA   ILE  12           HA       ILE  12   4.015   8.513  -3.421
  404    HB   ILE  12           HB       ILE  12   3.549   6.041  -3.125
  405   2HG1  ILE  12          2HG1      ILE  12   2.681   5.977  -5.742
  406   1HG2  ILE  12          1HG2      ILE  12   2.366   7.635  -1.810
  407   2HG2  ILE  12          2HG2      ILE  12   1.324   8.094  -3.163
  408   3HG2  ILE  12          3HG2      ILE  12   1.160   6.489  -2.445
  409   1HD1  ILE  12          1HD1      ILE  12   3.101   3.978  -4.408
  410   2HD1  ILE  12          2HD1      ILE  12   1.688   4.323  -3.369
  411   3HD1  ILE  12          3HD1      ILE  12   1.452   3.868  -5.052
  412    H    LYS  13           H        LYS  13   4.373   6.993  -6.558
  413    HA   LYS  13           HA       LYS  13   7.018   5.798  -5.798
  414   2HB   LYS  13          2HB       LYS  13   5.585   4.477  -7.167
  415   2HG   LYS  13          2HG       LYS  13   4.502   6.451  -8.504
  416   2HD   LYS  13          2HD       LYS  13   6.809   5.694 -10.362
  417   2HE   LYS  13          2HE       LYS  13   4.405   7.537 -10.736
  418   1HZ   LYS  13          1HZ       LYS  13   6.534   6.747 -12.645
  419   2HZ   LYS  13          2HZ       LYS  13   5.236   7.673 -13.005
  420   3HZ   LYS  13          3HZ       LYS  13   6.381   8.235 -11.977
  421    H    GLU  14           H        GLU  14   5.986   8.764  -6.820
  422    HA   GLU  14           HA       GLU  14   8.316   9.393  -8.562
  423   2HB   GLU  14          2HB       GLU  14   5.830  11.077  -8.110
  424   2HG   GLU  14          2HG       GLU  14   7.627  12.188  -9.413
  425    H    ILE  15           H        ILE  15   7.108   9.980  -5.362
  426    HA   ILE  15           HA       ILE  15   9.157  12.088  -4.908
  427    HB   ILE  15           HB       ILE  15   8.143  12.527  -2.813
  428   2HG1  ILE  15          2HG1      ILE  15   6.678   9.976  -3.234
  429   1HG2  ILE  15          1HG2      ILE  15   5.968  12.470  -4.932
  430   2HG2  ILE  15          2HG2      ILE  15   6.057  13.531  -3.514
  431   3HG2  ILE  15          3HG2      ILE  15   7.264  13.680  -4.804
  432   1HD1  ILE  15          1HD1      ILE  15   6.616   9.998  -0.794
  433   2HD1  ILE  15          2HD1      ILE  15   8.258  10.393  -1.348
  434   3HD1  ILE  15          3HD1      ILE  15   7.184  11.679  -0.758
  435    H    VAL  16           H        VAL  16   8.079   8.766  -3.829
  436    HA   VAL  16           HA       VAL  16  10.228   8.601  -1.971
  437    HB   VAL  16           HB       VAL  16   8.663   6.323  -3.251
  438   1HG1  VAL  16          1HG1      VAL  16  10.694   5.422  -2.315
  439   2HG1  VAL  16          2HG1      VAL  16  10.567   6.466  -0.884
  440   3HG1  VAL  16          3HG1      VAL  16   9.423   5.114  -1.128
  441   1HG2  VAL  16          1HG2      VAL  16   7.258   7.917  -1.896
  442   2HG2  VAL  16          2HG2      VAL  16   7.386   6.329  -1.144
  443   3HG2  VAL  16          3HG2      VAL  16   8.343   7.694  -0.531
  444    H    GLU  17           H        GLU  17  10.087   7.920  -5.436
  445    HA   GLU  17           HA       GLU  17  12.774   6.601  -5.405
  446   2HB   GLU  17          2HB       GLU  17  12.597   6.758  -7.916
  447   2HG   GLU  17          2HG       GLU  17  10.682   5.172  -8.190
  448    H    ASN  18           H        ASN  18  11.824   9.712  -4.940
  449    HA   ASN  18           HA       ASN  18  14.062  10.947  -6.453
  450   2HB   ASN  18          2HB       ASN  18  12.251  12.873  -5.314
  451   1HD2  ASN  18          1HD2      ASN  18  10.652  12.239  -8.031
  452   2HD2  ASN  18          2HD2      ASN  18  11.689  13.058  -9.208
  453    H    GLU  19           H        GLU  19  13.071  10.063  -3.235
  454    HA   GLU  19           HA       GLU  19  14.636  12.254  -2.008
  455   2HB   GLU  19          2HB       GLU  19  13.446  11.420   0.080
  456   2HG   GLU  19          2HG       GLU  19  11.130  12.121  -0.684
  457    H    ASP  20           H        ASP  20  14.267   9.253  -0.299
  458    HA   ASP  20           HA       ASP  20  17.161   8.679  -0.581
  459   2HB   ASP  20          2HB       ASP  20  17.266   8.354   1.915
  460    H    LYS  21           H        LYS  21  16.524   6.993  -1.832
  461    HA   LYS  21           HA       LYS  21  14.857   4.790  -1.086
  462   2HB   LYS  21          2HB       LYS  21  16.238   3.504  -2.757
  463   2HG   LYS  21          2HG       LYS  21  15.275   6.274  -3.609
  464   2HD   LYS  21          2HD       LYS  21  16.587   5.170  -5.410
  465   2HE   LYS  21          2HE       LYS  21  14.538   2.959  -4.968
  466   1HZ   LYS  21          1HZ       LYS  21  16.281   3.412  -7.323
  467   2HZ   LYS  21          2HZ       LYS  21  15.476   2.022  -7.034
  468   3HZ   LYS  21          3HZ       LYS  21  14.637   3.400  -7.304
  469    H    ARG  22           H        ARG  22  17.940   5.584   0.197
  470    HA   ARG  22           HA       ARG  22  18.240   2.947   1.594
  471   2HB   ARG  22          2HB       ARG  22  20.415   3.786   2.327
  472   2HG   ARG  22          2HG       ARG  22  21.594   3.843   0.257
  473   2HD   ARG  22          2HD       ARG  22  18.983   2.377  -0.288
  474    HE   ARG  22           HE       ARG  22  21.204   2.520  -1.940
  475   1HH1  ARG  22          1HH1      ARG  22  19.740  -0.213  -0.242
  476   2HH1  ARG  22          2HH1      ARG  22  20.171  -1.303  -1.526
  477   1HH2  ARG  22          1HH2      ARG  22  21.759   1.037  -3.464
  478   2HH2  ARG  22          2HH2      ARG  22  21.314  -0.636  -3.254
  479    H    LYS  23           H        LYS  23  16.607   5.608   2.093
  480    HA   LYS  23           HA       LYS  23  16.090   4.980   4.970
  481   2HB   LYS  23          2HB       LYS  23  16.184   7.282   5.721
  482   2HG   LYS  23          2HG       LYS  23  18.713   6.729   4.113
  483   2HD   LYS  23          2HD       LYS  23  18.445   8.457   6.593
  484   2HE   LYS  23          2HE       LYS  23  20.635   9.332   5.600
  485   1HZ   LYS  23          1HZ       LYS  23  20.658   6.444   6.295
  486   2HZ   LYS  23          2HZ       LYS  23  20.704   7.670   7.377
  487   3HZ   LYS  23          3HZ       LYS  23  21.947   7.448   6.343
  488    HA   PRO  24           HA       PRO  24  12.648   5.674   1.895
  489   2HB   PRO  24          2HB       PRO  24  12.783   3.433   1.260
  490   2HG   PRO  24          2HG       PRO  24  13.191   1.698   2.880
  491   2HD   PRO  24          2HD       PRO  24  14.988   3.174   2.942
  492    H    TYR  25           H        TYR  25  10.385   6.044   2.062
  493    HA   TYR  25           HA       TYR  25   9.259   6.642   4.721
  494   2HB   TYR  25          2HB       TYR  25   7.306   7.393   3.485
  495    HD1  TYR  25           HD2      TYR  25  10.017   7.867   0.946
  496    HD2  TYR  25           HD1      TYR  25   7.847   9.531   4.272
  497    HE1  TYR  25           HE2      TYR  25  11.016  10.073   0.465
  498    HE2  TYR  25           HE1      TYR  25   8.923  11.746   3.861
  499    HH   TYR  25           HH       TYR  25  11.235  12.303   1.223
  500    H    SER  26           H        SER  26   6.751   5.846   4.744
  501    HA   SER  26           HA       SER  26   6.392   3.069   3.919
  502   2HB   SER  26          2HB       SER  26   7.408   2.643   6.049
  503    HG   SER  26           HG       SER  26   6.743   3.491   7.911
  504    H    ASP  27           H        ASP  27   4.019   2.386   4.547
  505    HA   ASP  27           HA       ASP  27   2.403   4.153   3.172
  506   2HB   ASP  27          2HB       ASP  27   1.865   1.882   3.221
  507    H    GLN  28           H        GLN  28   2.776   4.208   6.735
  508    HA   GLN  28           HA       GLN  28   0.742   6.245   7.112
  509   2HB   GLN  28          2HB       GLN  28   3.146   5.334   8.731
  510   2HG   GLN  28          2HG       GLN  28   2.790   7.656   9.335
  511   1HE2  GLN  28          1HE2      GLN  28   1.097   8.866   8.108
  512   2HE2  GLN  28          2HE2      GLN  28  -0.512   9.004   8.817
  513    H    GLU  29           H        GLU  29   4.346   6.400   6.577
  514    HA   GLU  29           HA       GLU  29   4.428   9.223   6.938
  515   2HB   GLU  29          2HB       GLU  29   6.685   8.954   5.962
  516   2HG   GLU  29          2HG       GLU  29   7.650   7.322   7.556
  517    H    ILE  30           H        ILE  30   4.336   7.305   3.888
  518    HA   ILE  30           HA       ILE  30   4.197   9.642   2.193
  519    HB   ILE  30           HB       ILE  30   3.480   8.259   0.411
  520   2HG1  ILE  30          2HG1      ILE  30   1.875   6.808   1.371
  521   1HG2  ILE  30          1HG2      ILE  30   5.442   6.928   0.219
  522   2HG2  ILE  30          2HG2      ILE  30   5.880   8.316   1.220
  523   3HG2  ILE  30          3HG2      ILE  30   5.569   6.731   1.977
  524   1HD1  ILE  30          1HD1      ILE  30   3.151   5.762  -0.531
  525   2HD1  ILE  30          2HD1      ILE  30   4.178   4.945   0.671
  526   3HD1  ILE  30          3HD1      ILE  30   2.452   4.589   0.601
  527    H    ALA  31           H        ALA  31   1.646   7.945   3.972
  528    HA   ALA  31           HA       ALA  31  -0.545   9.305   2.582
  529   1HB   ALA  31          1HB       ALA  31  -1.841   8.691   4.676
  530   2HB   ALA  31          2HB       ALA  31  -1.040   7.328   3.895
  531   3HB   ALA  31          3HB       ALA  31  -0.334   8.036   5.354
  532    H    ASN  32           H        ASN  32   1.542  10.148   5.298
  533    HA   ASN  32           HA       ASN  32   0.010  12.391   6.244
  534   2HB   ASN  32          2HB       ASN  32   2.938  11.674   6.619
  535   1HD2  ASN  32          1HD2      ASN  32   3.992  13.506   7.389
  536   2HD2  ASN  32          2HD2      ASN  32   3.253  14.636   8.521
  537    H    ILE  33           H        ILE  33   2.993  12.277   4.257
  538    HA   ILE  33           HA       ILE  33   3.200  15.131   3.926
  539    HB   ILE  33           HB       ILE  33   4.143  13.036   1.966
  540   2HG1  ILE  33          2HG1      ILE  33   4.935  13.244   4.716
  541   1HG2  ILE  33          1HG2      ILE  33   5.089  15.866   2.471
  542   2HG2  ILE  33          2HG2      ILE  33   6.002  14.661   1.525
  543   3HG2  ILE  33          3HG2      ILE  33   4.402  15.157   0.986
  544   1HD1  ILE  33          1HD1      ILE  33   6.363  11.465   4.141
  545   2HD1  ILE  33          2HD1      ILE  33   4.998  11.371   3.011
  546   3HD1  ILE  33          3HD1      ILE  33   6.535  12.035   2.445
  547    H    LEU  34           H        LEU  34   1.400  12.716   2.136
  548    HA   LEU  34           HA       LEU  34   0.559  14.325  -0.116
  549   2HB   LEU  34          2HB       LEU  34  -1.341  12.454   0.072
  550    HG   LEU  34           HG       LEU  34   0.015  12.217  -1.795
  551   1HD1  LEU  34          1HD1      LEU  34   2.115  13.164  -1.096
  552   2HD1  LEU  34          2HD1      LEU  34   2.432  11.796  -0.003
  553   3HD1  LEU  34          3HD1      LEU  34   2.415  11.556  -1.766
  554   1HD2  LEU  34          1HD2      LEU  34   0.681   9.888  -1.854
  555   2HD2  LEU  34          2HD2      LEU  34   0.733   9.806  -0.082
  556   3HD2  LEU  34          3HD2      LEU  34  -0.812  10.055  -0.916
  557    H    LYS  35           H        LYS  35  -0.406  14.300   3.174
  558    HA   LYS  35           HA       LYS  35  -3.006  15.647   2.593
  559   2HB   LYS  35          2HB       LYS  35  -2.278  13.975   4.595
  560   2HG   LYS  35          2HG       LYS  35  -2.459  16.662   6.009
  561   2HD   LYS  35          2HD       LYS  35  -1.390  15.384   7.864
  562   2HE   LYS  35          2HE       LYS  35  -3.926  14.070   6.784
  563   1HZ   LYS  35          1HZ       LYS  35  -2.939  12.918   8.692
  564   2HZ   LYS  35          2HZ       LYS  35  -2.906  14.302   9.561
  565   3HZ   LYS  35          3HZ       LYS  35  -4.335  13.643   9.131
  566    H    GLU  36           H        GLU  36   0.235  16.610   2.821
  567    HA   GLU  36           HA       GLU  36  -0.351  19.288   3.965
  568   2HB   GLU  36          2HB       GLU  36   2.037  19.685   3.730
  569   2HG   GLU  36          2HG       GLU  36   1.670  16.899   4.893
  570    H    LYS  37           H        LYS  37  -0.370  17.784   0.863
  571    HA   LYS  37           HA       LYS  37  -0.112  20.463  -0.481
  572   2HB   LYS  37          2HB       LYS  37   1.903  19.263  -0.750
  573   2HG   LYS  37          2HG       LYS  37   0.298  17.073  -2.102
  574   2HD   LYS  37          2HD       LYS  37   2.748  17.577  -2.832
  575   2HE   LYS  37          2HE       LYS  37   3.273  16.214  -0.162
  576   1HZ   LYS  37          1HZ       LYS  37   4.999  15.965  -1.885
  577   2HZ   LYS  37          2HZ       LYS  37   5.117  17.587  -2.049
  578   3HZ   LYS  37          3HZ       LYS  37   5.563  16.874  -0.651
  579    HN2  GLY  38           HN2      GLY  38  -2.050  17.441  -0.520
  580   1HA   GLY  38          1HA       GLY  38  -4.245  18.998  -0.519
  581   2HA   GLY  38          2HA       GLY  38  -3.968  18.909  -2.256
  582    H    PHE  39           H        PHE  39  -2.997  15.933  -0.875
  583    HA   PHE  39           HA       PHE  39  -5.227  14.779  -2.326
  584   2HB   PHE  39          2HB       PHE  39  -3.899  12.739  -2.234
  585    HD1  PHE  39           HD2      PHE  39  -4.145  14.110  -4.506
  586    HD2  PHE  39           HD1      PHE  39  -0.839  14.476  -1.744
  587    HE1  PHE  39           HE2      PHE  39  -2.790  15.137  -6.270
  588    HE2  PHE  39           HE1      PHE  39   0.547  15.440  -3.559
  589    HZ   PHE  39           HZ       PHE  39  -0.423  15.811  -5.825
  590    H    LYS  40           H        LYS  40  -4.292  15.197   0.903
  591    HA   LYS  40           HA       LYS  40  -4.614  14.046   2.912
  592   2HB   LYS  40          2HB       LYS  40  -5.934  16.000   3.016
  593   2HG   LYS  40          2HG       LYS  40  -7.772  14.566   1.166
  594   2HD   LYS  40          2HD       LYS  40  -9.671  16.078   1.881
  595   2HE   LYS  40          2HE       LYS  40  -8.791  13.887   3.813
  596   1HZ   LYS  40          1HZ       LYS  40 -11.166  13.714   4.264
  597   2HZ   LYS  40          2HZ       LYS  40 -11.504  14.986   3.295
  598   3HZ   LYS  40          3HZ       LYS  40 -10.652  15.209   4.675
  599    H    VAL  41           H        VAL  41  -4.343  12.068   1.230
  600    HA   VAL  41           HA       VAL  41  -6.582  10.136   1.522
  601    HB   VAL  41           HB       VAL  41  -5.615  10.016  -0.600
  602   1HG1  VAL  41          1HG1      VAL  41  -2.909   9.658   0.772
  603   2HG1  VAL  41          2HG1      VAL  41  -3.209   9.453  -0.957
  604   3HG1  VAL  41          3HG1      VAL  41  -3.428  11.038  -0.230
  605   1HG2  VAL  41          1HG2      VAL  41  -4.549   7.662   1.040
  606   2HG2  VAL  41          2HG2      VAL  41  -6.148   7.799   0.284
  607   3HG2  VAL  41          3HG2      VAL  41  -4.687   7.672  -0.695
  608    H    ALA  42           H        ALA  42  -6.463   8.311   2.855
  609    HA   ALA  42           HA       ALA  42  -4.772   8.427   5.230
  610   1HB   ALA  42          1HB       ALA  42  -7.032   6.519   4.554
  611   2HB   ALA  42          2HB       ALA  42  -6.310   6.813   6.142
  612   3HB   ALA  42          3HB       ALA  42  -7.255   8.092   5.364
  613    H    ARG  43           H        ARG  43  -4.035   6.364   6.059
  614    HA   ARG  43           HA       ARG  43  -2.006   5.292   4.369
  615   2HB   ARG  43          2HB       ARG  43  -2.940   4.539   7.173
  616   2HG   ARG  43          2HG       ARG  43  -0.275   3.961   7.112
  617   2HD   ARG  43          2HD       ARG  43  -0.940   1.497   6.713
  618    HE   ARG  43           HE       ARG  43  -2.615   2.380   8.913
  619   1HH1  ARG  43          1HH1      ARG  43   0.799   2.029   8.008
  620   2HH1  ARG  43          2HH1      ARG  43   1.268   1.956   9.686
  621   1HH2  ARG  43          1HH2      ARG  43  -1.888   2.280  10.980
  622   2HH2  ARG  43          2HH2      ARG  43  -0.188   2.082  11.300
  623    H    ARG  44           H        ARG  44  -5.203   4.120   4.792
  624    HA   ARG  44           HA       ARG  44  -4.587   1.279   4.254
  625   2HB   ARG  44          2HB       ARG  44  -7.115   1.248   3.867
  626   2HG   ARG  44          2HG       ARG  44  -7.754   1.626   6.244
  627   2HD   ARG  44          2HD       ARG  44  -4.953   0.446   6.064
  628    HE   ARG  44           HE       ARG  44  -6.527   0.964   8.407
  629   1HH1  ARG  44          1HH1      ARG  44  -4.505  -1.607   7.160
  630   2HH1  ARG  44          2HH1      ARG  44  -3.561  -1.704   8.617
  631   1HH2  ARG  44          1HH2      ARG  44  -5.546   0.547  10.337
  632   2HH2  ARG  44          2HH2      ARG  44  -4.276  -0.648  10.416
  633    H    THR  45           H        THR  45  -5.548   4.095   2.373
  634    HA   THR  45           HA       THR  45  -6.117   2.667  -0.056
  635    HB   THR  45           HB       THR  45  -5.570   5.611   0.488
  636    HG1  THR  45           HG1      THR  45  -7.428   5.815   1.424
  637   1HG2  THR  45          1HG2      THR  45  -7.444   4.260  -1.481
  638   2HG2  THR  45          2HG2      THR  45  -7.128   6.005  -1.337
  639   3HG2  THR  45          3HG2      THR  45  -5.846   4.924  -1.889
  640    H    VAL  46           H        VAL  46  -3.613   4.786   1.282
  641    HA   VAL  46           HA       VAL  46  -2.117   4.910  -1.045
  642    HB   VAL  46           HB       VAL  46  -2.136   6.306   1.222
  643   1HG1  VAL  46          1HG1      VAL  46   0.394   4.645   1.570
  644   2HG1  VAL  46          2HG1      VAL  46  -0.072   6.085   2.458
  645   3HG1  VAL  46          3HG1      VAL  46  -1.042   4.607   2.610
  646   1HG2  VAL  46          1HG2      VAL  46  -0.154   7.478   0.483
  647   2HG2  VAL  46          2HG2      VAL  46   0.389   6.061  -0.443
  648   3HG2  VAL  46          3HG2      VAL  46  -1.051   6.973  -0.944
  649    H    ALA  47           H        ALA  47  -2.157   2.591   1.572
  650    HA   ALA  47           HA       ALA  47   0.318   1.259   1.114
  651   1HB   ALA  47          1HB       ALA  47  -0.867   1.132   3.265
  652   2HB   ALA  47          2HB       ALA  47  -2.268   0.383   2.486
  653   3HB   ALA  47          3HB       ALA  47  -0.720  -0.490   2.588
  654    H    LYS  48           H        LYS  48  -2.980   0.848  -0.060
  655    HA   LYS  48           HA       LYS  48  -2.491  -1.702  -1.412
  656   2HB   LYS  48          2HB       LYS  48  -4.859  -1.212  -2.274
  657   2HG   LYS  48          2HG       LYS  48  -4.322  -1.123   0.729
  658   2HD   LYS  48          2HD       LYS  48  -6.819  -2.306  -0.465
  659   2HE   LYS  48          2HE       LYS  48  -7.819  -1.595   1.661
  660   1HZ   LYS  48          1HZ       LYS  48  -5.179  -2.811   2.279
  661   2HZ   LYS  48          2HZ       LYS  48  -6.538  -2.885   3.189
  662   3HZ   LYS  48          3HZ       LYS  48  -6.487  -3.663   1.772
  663    H    TYR  49           H        TYR  49  -2.087   1.614  -2.230
  664    HA   TYR  49           HA       TYR  49  -2.204   1.243  -5.130
  665   2HB   TYR  49          2HB       TYR  49  -1.093   3.622  -4.974
  666    HD1  TYR  49           HD1      TYR  49  -4.232   1.887  -3.834
  667    HD2  TYR  49           HD2      TYR  49  -2.480   5.329  -5.727
  668    HE1  TYR  49           HE1      TYR  49  -6.432   2.446  -4.848
  669    HE2  TYR  49           HE2      TYR  49  -4.692   5.868  -6.800
  670    HH   TYR  49           HH       TYR  49  -7.533   4.404  -5.753
  671    H    ARG  50           H        ARG  50   0.498   1.829  -2.846
  672    HA   ARG  50           HA       ARG  50   2.570   1.619  -4.805
  673   2HB   ARG  50          2HB       ARG  50   2.997   2.492  -2.599
  674   2HG   ARG  50          2HG       ARG  50   1.671   0.281  -1.523
  675   2HD   ARG  50          2HD       ARG  50   3.390  -0.460   0.164
  676    HE   ARG  50           HE       ARG  50   4.420  -1.658  -2.308
  677   1HH1  ARG  50          1HH1      ARG  50   1.484  -1.628  -0.374
  678   2HH1  ARG  50          2HH1      ARG  50   1.294  -3.349  -0.560
  679   1HH2  ARG  50          1HH2      ARG  50   4.023  -3.762  -2.550
  680   2HH2  ARG  50          2HH2      ARG  50   2.641  -4.515  -1.762
  681    H    GLU  51           H        GLU  51   0.530  -0.844  -3.695
  682    HA   GLU  51           HA       GLU  51   2.211  -3.141  -4.381
  683   2HB   GLU  51          2HB       GLU  51  -0.829  -3.055  -4.226
  684   2HG   GLU  51          2HG       GLU  51  -0.442  -5.297  -3.096
  685    H    MET  52           H        MET  52  -0.289  -1.285  -6.101
  686    HA   MET  52           HA       MET  52  -0.190  -3.123  -8.409
  687   2HB   MET  52          2HB       MET  52  -2.346  -2.236  -7.625
  688   2HG   MET  52          2HG       MET  52  -1.335   0.394  -8.777
  689   1HE   MET  52          1HE       MET  52  -2.788   2.520  -8.827
  690   2HE   MET  52          2HE       MET  52  -4.504   2.588  -8.364
  691   3HE   MET  52          3HE       MET  52  -3.261   2.253  -7.141
  692    H    LEU  53           H        LEU  53   1.148   0.023  -7.619
  693    HA   LEU  53           HA       LEU  53   1.917   0.752 -10.321
  694   2HB   LEU  53          2HB       LEU  53   3.512   2.281  -8.894
  695    HG   LEU  53           HG       LEU  53   0.559   2.342  -9.363
  696   1HD1  LEU  53          1HD1      LEU  53   0.108   4.228  -7.886
  697   2HD1  LEU  53          2HD1      LEU  53   0.624   2.866  -6.936
  698   3HD1  LEU  53          3HD1      LEU  53   1.772   4.179  -7.271
  699   1HD2  LEU  53          1HD2      LEU  53   2.473   3.310 -10.739
  700   2HD2  LEU  53          2HD2      LEU  53   1.172   4.461 -10.388
  701   3HD2  LEU  53          3HD2      LEU  53   2.669   4.509  -9.444
  702    HN2  GLY  54           HN2      GLY  54   3.968  -0.331  -7.608
  703   1HA   GLY  54          1HA       GLY  54   5.020  -2.592  -8.914
  704   2HA   GLY  54          2HA       GLY  54   6.081  -1.270  -9.379
  705    H    ILE  55           H        ILE  55   5.062  -0.861  -6.104
  706    HA   ILE  55           HA       ILE  55   7.842  -1.412  -5.308
  707    HB   ILE  55           HB       ILE  55   5.598   0.202  -4.158
  708   2HG1  ILE  55          2HG1      ILE  55   7.319   0.921  -6.027
  709   1HG2  ILE  55          1HG2      ILE  55   8.231  -0.457  -2.778
  710   2HG2  ILE  55          2HG2      ILE  55   7.097   0.824  -2.267
  711   3HG2  ILE  55          3HG2      ILE  55   6.601  -0.856  -2.182
  712   1HD1  ILE  55          1HD1      ILE  55   5.802   2.536  -4.896
  713   2HD1  ILE  55          2HD1      ILE  55   6.991   2.717  -3.584
  714   3HD1  ILE  55          3HD1      ILE  55   7.405   3.222  -5.233
  715    HA   PRO  56           HA       PRO  56   6.439  -5.193  -3.249
  716   2HB   PRO  56          2HB       PRO  56   8.425  -6.139  -3.881
  717   2HG   PRO  56          2HG       PRO  56  10.385  -4.865  -4.098
  718   2HD   PRO  56          2HD       PRO  56   8.993  -3.338  -5.205
  719    H    SER  57           H        SER  57   8.661  -3.096  -1.438
  720    HA   SER  57           HA       SER  57   6.535  -2.121   0.192
  721   2HB   SER  57          2HB       SER  57   7.062  -4.273   1.424
  722    HG   SER  57           HG       SER  57   8.914  -4.322   2.632
  723    H    SER  58           H        SER  58   9.661  -1.927  -0.898
  724    HA   SER  58           HA       SER  58  11.387  -0.480  -0.900
  725   2HB   SER  58          2HB       SER  58  11.271   1.806  -0.156
  726    HG   SER  58           HG       SER  58   8.785   1.183  -1.323
  727    H    ARG  59           H        ARG  59  10.106  -1.586   2.100
  728    HA   ARG  59           HA       ARG  59  12.373  -0.802   3.791
  729   2HB   ARG  59          2HB       ARG  59  10.371  -3.075   4.181
  730   2HG   ARG  59          2HG       ARG  59  11.725  -1.231   6.189
  731   2HD   ARG  59          2HD       ARG  59   9.434  -2.302   6.713
  732    HE   ARG  59           HE       ARG  59  11.053  -4.752   6.420
  733   1HH1  ARG  59          1HH1      ARG  59   8.073  -3.523   7.807
  734   2HH1  ARG  59          2HH1      ARG  59   7.584  -5.089   8.375
  735   1HH2  ARG  59          1HH2      ARG  59  10.346  -6.713   7.077
  736   2HH2  ARG  59          2HH2      ARG  59   8.823  -6.866   7.919
  737    H    GLU  60           H        GLU  60  11.336  -3.430   1.743
  738    HA   GLU  60           HA       GLU  60  13.640  -5.080   2.353
  739   2HB   GLU  60          2HB       GLU  60  11.408  -6.031   2.019
  740   2HG   GLU  60          2HG       GLU  60  11.059  -4.596  -0.283
  741    H    ARG  61           H        ARG  61  12.834  -2.784  -0.152
  742    HA   ARG  61           HA       ARG  61  15.017  -3.421  -1.961
  743   2HB   ARG  61          2HB       ARG  61  14.497  -1.267  -2.969
  744   2HG   ARG  61          2HG       ARG  61  11.820  -2.473  -2.156
  745   2HD   ARG  61          2HD       ARG  61  11.347  -2.038  -4.586
  746    HE   ARG  61           HE       ARG  61  10.966  -0.110  -2.840
  747   1HH1  ARG  61          1HH1      ARG  61  12.842   0.337  -5.814
  748   2HH1  ARG  61          2HH1      ARG  61  12.506   2.077  -5.724
  749   1HH2  ARG  61          1HH2      ARG  61  10.698   2.077  -2.925
  750   2HH2  ARG  61          2HH2      ARG  61  11.456   2.953  -4.275
  751    H    ARG  62           H        ARG  62  14.641  -1.138   0.776
  752    HA   ARG  62           HA       ARG  62  17.081   0.285   0.502
  753   2HB   ARG  62          2HB       ARG  62  15.167  -0.375   2.766
  754   2HG   ARG  62          2HG       ARG  62  16.710   2.114   2.965
  755   2HD   ARG  62          2HD       ARG  62  16.143  -0.186   4.830
  756    HE   ARG  62           HE       ARG  62  17.624   2.318   5.240
  757   1HH1  ARG  62          1HH1      ARG  62  15.630   0.046   7.010
  758   2HH1  ARG  62          2HH1      ARG  62  16.293   0.540   8.550
  759   1HH2  ARG  62          1HH2      ARG  62  18.430   2.876   7.200
  760   2HH2  ARG  62          2HH2      ARG  62  17.833   2.104   8.648
  761    H    ILE  63           H        ILE  63  16.240  -2.213   2.807
  762    HA   ILE  63           HA       ILE  63  18.654  -2.312   4.167
  763    HB   ILE  63           HB       ILE  63  16.418  -3.143   4.928
  764   2HG1  ILE  63          2HG1      ILE  63  18.760  -5.016   5.450
  765   1HG2  ILE  63          1HG2      ILE  63  17.158  -5.759   3.554
  766   2HG2  ILE  63          2HG2      ILE  63  15.707  -5.410   4.516
  767   3HG2  ILE  63          3HG2      ILE  63  15.945  -4.613   2.955
  768   1HD1  ILE  63          1HD1      ILE  63  19.269  -2.720   6.221
  769   2HD1  ILE  63          2HD1      ILE  63  17.671  -2.611   6.999
  770   3HD1  ILE  63          3HD1      ILE  63  18.889  -3.751   7.608
  Start of MODEL   12
    1   1H5*    T  64          1H5*        T  64  10.537  -4.222  19.029
    2   2H5*    T  64          2H5*        T  64  10.126  -2.540  18.676
    3    H4*    T  64           H4*        T  64  11.378  -3.447  16.855
    4    H3*    T  64           H3*        T  64   8.481  -3.003  16.148
    5   1H2*    T  64          1H2*        T  64   8.958  -3.698  13.981
    6   2H2*    T  64          2H2*        T  64  10.720  -3.439  14.178
    7    H1*    T  64           H1*        T  64  10.790  -5.652  14.558
    8    H3     T  64           H3         T  64   7.501  -8.185  12.910
    9   1H5M    T  64          1H5M        T  64   5.963  -7.766  17.673
   10   2H5M    T  64          2H5M        T  64   5.750  -6.005  17.559
   11   3H5M    T  64          3H5M        T  64   4.731  -7.084  16.588
   12    H6     T  64           H6         T  64   7.944  -5.385  16.806
   13    H5T    T  64           H5T        T  64   8.343  -3.697  19.580
   14   1H5*    T  65          1H5*        T  65  10.927  -1.510  13.050
   15   2H5*    T  65          2H5*        T  65  10.436   0.047  12.372
   16    H4*    T  65           H4*        T  65  10.518  -1.830  10.664
   17    H3*    T  65           H3*        T  65   8.181  -0.132  11.197
   18   1H2*    T  65          1H2*        T  65   6.610  -1.602  10.875
   19   2H2*    T  65          2H2*        T  65   7.232  -1.994   9.261
   20    H1*    T  65           H1*        T  65   8.430  -3.792   9.940
   21    H3     T  65           H3         T  65   5.053  -6.565  11.183
   22   1H5M    T  65          1H5M        T  65   6.076  -3.432  15.400
   23   2H5M    T  65          2H5M        T  65   4.576  -2.803  14.684
   24   3H5M    T  65          3H5M        T  65   4.622  -4.445  15.357
   25    H6     T  65           H6         T  65   7.026  -2.637  13.173
   26   1H5*    T  66          1H5*        T  66   8.792  -1.769   6.942
   27   2H5*    T  66          2H5*        T  66   8.268  -0.706   5.624
   28    H4*    T  66           H4*        T  66   7.341  -2.964   5.307
   29    H3*    T  66           H3*        T  66   5.355  -0.822   6.067
   30   1H2*    T  66          1H2*        T  66   3.682  -2.373   6.245
   31   2H2*    T  66          2H2*        T  66   4.389  -3.461   5.022
   32    H1*    T  66           H1*        T  66   5.444  -4.698   6.505
   33    H3     T  66           H3         T  66   2.132  -5.803   9.408
   34   1H5M    T  66          1H5M        T  66   4.402  -1.955  11.904
   35   2H5M    T  66          2H5M        T  66   3.722  -0.830  10.706
   36   3H5M    T  66          3H5M        T  66   2.642  -1.766  11.753
   37    H6     T  66           H6         T  66   4.958  -1.927   8.928
   38   1H5*    T  67          1H5*        T  67   4.751  -3.660   2.783
   39   2H5*    T  67          2H5*        T  67   3.978  -3.038   1.318
   40    H4*    T  67           H4*        T  67   3.146  -5.317   2.097
   41    H3*    T  67           H3*        T  67   1.653  -3.223   1.018
   42   1H2*    T  67          1H2*        T  67   0.671  -2.627   3.102
   43   2H2*    T  67          2H2*        T  67  -0.531  -3.843   2.579
   44    H1*    T  67           H1*        T  67   0.654  -5.623   3.709
   45    H3     T  67           H3         T  67  -1.310  -5.120   7.819
   46   1H5M    T  67          1H5M        T  67   1.331  -0.525   6.735
   47   2H5M    T  67          2H5M        T  67   0.498  -0.780   8.281
   48   3H5M    T  67          3H5M        T  67   2.142  -1.408   8.044
   49    H6     T  67           H6         T  67   1.668  -2.364   5.203
   50   1H5*    G  68          1H5*        G  68   0.192  -7.802   1.313
   51   2H5*    G  68          2H5*        G  68  -0.492  -8.154  -0.274
   52    H4*    G  68           H4*        G  68  -1.348  -9.681   1.400
   53    H3*    G  68           H3*        G  68  -2.993  -8.398  -0.411
   54    H1*    G  68           H1*        G  68  -3.939  -8.739   3.319
   55    H8     G  68           H8         G  68  -2.392  -5.260   2.525
   56    H1     G  68           H1         G  68  -5.870  -5.571   7.961
   57   1H2     G  68          1H2         G  68  -7.047  -7.507   7.894
   58   2H2     G  68          2H2         G  68  -6.630  -8.737   6.709
   59   1H2*    G  68          1H2*        G  68  -3.757  -6.725   1.054
   60   2H2*    G  68          2H2*        G  68  -5.018  -7.946   1.371
   61   1H5*    G  69          1H5*        G  69  -5.214 -11.166   2.781
   62   2H5*    G  69          2H5*        G  69  -6.057 -12.366   1.795
   63    H4*    G  69           H4*        G  69  -7.302 -12.018   3.813
   64    H3*    G  69           H3*        G  69  -8.483 -11.771   1.285
   65    H1*    G  69           H1*        G  69  -9.301  -9.570   4.297
   66    H8     G  69           H8         G  69  -7.222  -7.581   1.660
   67    H1     G  69           H1         G  69  -9.535  -4.125   6.597
   68   1H2     G  69          1H2         G  69 -10.961  -5.425   7.757
   69   2H2     G  69          2H2         G  69 -11.140  -7.118   7.310
   70   1H2*    G  69          1H2*        G  69  -8.641  -9.430   1.327
   71   2H2*    G  69          2H2*        G  69 -10.206  -9.809   2.102
   72   1H5*    C  70          1H5*        C  70 -11.666 -11.387   4.799
   73   2H5*    C  70          2H5*        C  70 -13.115 -12.303   4.360
   74    H4*    C  70           H4*        C  70 -13.775 -10.211   5.329
   75    H3*    C  70           H3*        C  70 -14.455 -10.740   2.518
   76    H1*    C  70           H1*        C  70 -14.057  -7.663   4.695
   77   1H4     C  70          1H4         C  70 -10.714  -2.693   2.814
   78   2H4     C  70          2H4         C  70  -9.747  -3.637   1.678
   79    H5     C  70           H5         C  70 -10.126  -5.969   1.308
   80    H6     C  70           H6         C  70 -11.490  -7.916   1.981
   81   1H2*    C  70          1H2*        C  70 -13.803  -8.662   1.827
   82   2H2*    C  70          2H2*        C  70 -15.257  -8.049   2.667
   83   1H5*    A  71          1H5*        A  71 -17.244  -8.358   5.421
   84   2H5*    A  71          2H5*        A  71 -18.970  -8.454   5.036
   85    H4*    A  71           H4*        A  71 -18.257  -6.168   5.663
   86    H3*    A  71           H3*        A  71 -19.199  -6.576   2.823
   87    H1*    A  71           H1*        A  71 -16.824  -3.978   4.533
   88    H8     A  71           H8         A  71 -16.159  -6.318   1.534
   89   1H6     A  71          1H6         A  71 -12.431  -1.556  -0.225
   90   2H6     A  71          2H6         A  71 -12.829  -3.226  -0.663
   91    H2     A  71           H2         A  71 -14.804  -0.195   3.035
   92   1H2*    A  71          1H2*        A  71 -18.635  -4.406   2.284
   93   2H2*    A  71          2H2*        A  71 -18.952  -3.802   3.932
   94   1H5*    C  72          1H5*        C  72 -20.811  -3.537   5.836
   95   2H5*    C  72          2H5*        C  72 -22.509  -3.078   5.637
   96    H4*    C  72           H4*        C  72 -21.068  -1.115   6.136
   97    H3*    C  72           H3*        C  72 -22.500  -1.304   3.527
   98    H1*    C  72           H1*        C  72 -19.273   0.546   4.629
   99   1H4     C  72          1H4         C  72 -15.542   0.089  -0.576
  100   2H4     C  72          2H4         C  72 -16.528  -1.178  -1.139
  101    H5     C  72           H5         C  72 -18.267  -2.238   0.054
  102    H6     C  72           H6         C  72 -19.701  -2.076   2.041
  103   1H2*    C  72          1H2*        C  72 -21.244   0.140   2.462
  104   2H2*    C  72          2H2*        C  72 -21.206   1.293   3.833
  105   1H5*    G  73          1H5*        G  73 -22.649   2.813   5.575
  106   2H5*    G  73          2H5*        G  73 -24.145   3.697   5.227
  107    H4*    G  73           H4*        G  73 -22.245   5.178   4.988
  108    H3*    G  73           H3*        G  73 -23.451   4.417   2.319
  109    H1*    G  73           H1*        G  73 -19.673   5.047   2.862
  110    H8     G  73           H8         G  73 -22.241   2.353   1.968
  111    H1     G  73           H1         G  73 -17.128   2.791  -1.958
  112   1H2     G  73          1H2         G  73 -16.425   4.935  -1.891
  113   2H2     G  73          2H2         G  73 -16.932   5.958  -0.551
  114   1H2*    G  73          1H2*        G  73 -21.777   5.799   1.305
  115   2H2*    G  73          2H2*        G  73 -21.375   6.586   2.861
  116   1H5*    T  74          1H5*        T  74 -22.352   8.427   2.123
  117   2H5*    T  74          2H5*        T  74 -23.533   9.520   1.379
  118    H4*    T  74           H4*        T  74 -21.272   9.661   0.287
  119    H3*    T  74           H3*        T  74 -23.519   8.519  -1.390
  120   1H2*    T  74          1H2*        T  74 -21.942   8.363  -3.166
  121   2H2*    T  74          2H2*        T  74 -20.820   9.503  -2.374
  122    H1*    T  74           H1*        T  74 -19.773   7.750  -1.545
  123    H3     T  74           H3         T  74 -20.196   3.977  -4.143
  124   1H5M    T  74          1H5M        T  74 -24.620   3.758  -1.813
  125   2H5M    T  74          2H5M        T  74 -23.537   2.563  -1.068
  126   3H5M    T  74          3H5M        T  74 -23.936   4.056  -0.198
  127    H6     T  74           H6         T  74 -22.761   6.125  -0.680
  128   1H5*    T  75          1H5*        T  75 -21.013  11.406  -3.306
  129   2H5*    T  75          2H5*        T  75 -21.857  12.648  -4.225
  130    H4*    T  75           H4*        T  75 -20.019  11.598  -5.501
  131    H3*    T  75           H3*        T  75 -22.729  11.954  -6.362
  132   1H2*    T  75          1H2*        T  75 -23.247   9.923  -6.950
  133   2H2*    T  75          2H2*        T  75 -22.154  10.090  -8.335
  134    H1*    T  75           H1*        T  75 -20.469   8.960  -7.347
  135    H3     T  75           H3         T  75 -21.684   4.589  -6.983
  136   1H5M    T  75          1H5M        T  75 -25.274   7.599  -4.299
  137   2H5M    T  75          2H5M        T  75 -25.389   5.831  -4.339
  138   3H5M    T  75          3H5M        T  75 -24.329   6.624  -3.152
  139    H6     T  75           H6         T  75 -23.182   8.765  -5.114
  140   1H5*    T  76          1H5*        T  76 -19.258  11.134  -9.317
  141   2H5*    T  76          2H5*        T  76 -19.270  12.145 -10.771
  142    H4*    T  76           H4*        T  76 -18.625   9.837 -11.326
  143    H3*    T  76           H3*        T  76 -21.107  11.030 -12.426
  144   1H2*    T  76          1H2*        T  76 -22.261   9.115 -12.593
  145   2H2*    T  76          2H2*        T  76 -20.915   8.338 -13.464
  146    H1*    T  76           H1*        T  76 -20.057   7.324 -11.692
  147    H3     T  76           H3         T  76 -23.108   4.446  -9.878
  148   1H5M    T  76          1H5M        T  76 -25.913   8.280  -8.976
  149   2H5M    T  76          2H5M        T  76 -24.802   8.318  -7.583
  150   3H5M    T  76          3H5M        T  76 -24.667   9.547  -8.848
  151    H6     T  76           H6         T  76 -22.868   9.246 -10.233
  152   1H5*    C  77          1H5*        C  77 -18.597   8.181 -15.093
  153   2H5*    C  77          2H5*        C  77 -18.732   8.542 -16.819
  154    H4*    C  77           H4*        C  77 -19.116   6.191 -16.548
  155    H3*    C  77           H3*        C  77 -21.786   7.566 -16.910
  156    H1*    C  77           H1*        C  77 -20.824   4.238 -15.157
  157   1H4     C  77          1H4         C  77 -26.188   4.949 -11.889
  158   2H4     C  77          2H4         C  77 -26.197   6.708 -12.086
  159    H5     C  77           H5         C  77 -24.482   7.854 -13.367
  160    H6     C  77           H6         C  77 -22.410   7.467 -14.750
  161    H3T    C  77           H3T        C  77 -20.364   7.713 -18.727
  162   1H2*    C  77          1H2*        C  77 -22.718   5.406 -16.933
  163   2H2*    C  77          2H2*        C  77 -21.164   4.634 -17.371
  164   1H5*    G  78          1H5*        G  78 -32.435  -3.474 -13.176
  165   2H5*    G  78          2H5*        G  78 -31.818  -4.828 -12.216
  166    H4*    G  78           H4*        G  78 -30.325  -4.512 -14.048
  167    H3*    G  78           H3*        G  78 -29.201  -3.505 -11.425
  168    H1*    G  78           H1*        G  78 -28.426  -1.908 -14.923
  169    H8     G  78           H8         G  78 -30.361  -0.950 -11.848
  170    H1     G  78           H1         G  78 -25.311   2.881 -13.061
  171   1H2     G  78          1H2         G  78 -23.958   1.799 -14.457
  172   2H2     G  78          2H2         G  78 -24.498   0.301 -15.221
  173   1H2*    G  78          1H2*        G  78 -27.348  -2.663 -12.473
  174   2H2*    G  78          2H2*        G  78 -27.515  -3.734 -13.910
  175    H5T    G  78           H5T        G  78 -32.528  -3.069 -10.901
  176   1H5*    A  79          1H5*        A  79 -25.989  -5.283 -13.451
  177   2H5*    A  79          2H5*        A  79 -25.001  -6.336 -12.435
  178    H4*    A  79           H4*        A  79 -23.676  -4.470 -13.461
  179    H3*    A  79           H3*        A  79 -23.913  -4.680 -10.476
  180    H1*    A  79           H1*        A  79 -23.330  -1.543 -12.817
  181    H8     A  79           H8         A  79 -26.237  -2.300 -10.469
  182   1H6     A  79          1H6         A  79 -25.307   3.646  -8.591
  183   2H6     A  79          2H6         A  79 -26.437   2.295  -8.391
  184    H2     A  79           H2         A  79 -22.035   2.587 -11.097
  185   1H2*    A  79          1H2*        A  79 -22.854  -2.659 -10.192
  186   2H2*    A  79          2H2*        A  79 -21.913  -2.832 -11.703
  187   1H5*    A  80          1H5*        A  80 -20.186  -4.100 -12.900
  188   2H5*    A  80          2H5*        A  80 -18.673  -4.834 -12.341
  189    H4*    A  80           H4*        A  80 -18.414  -2.400 -13.051
  190    H3*    A  80           H3*        A  80 -17.824  -3.140 -10.157
  191    H1*    A  80           H1*        A  80 -19.096   0.214 -11.626
  192    H8     A  80           H8         A  80 -20.564  -2.456  -9.317
  193   1H6     A  80          1H6         A  80 -22.930   2.518  -6.258
  194   2H6     A  80          2H6         A  80 -22.998   0.754  -6.298
  195    H2     A  80           H2         A  80 -20.133   3.966  -9.169
  196   1H2*    A  80          1H2*        A  80 -17.494  -0.950  -9.720
  197   2H2*    A  80          2H2*        A  80 -17.069  -0.532 -11.404
  198   1H5*    A  81          1H5*        A  81 -14.901  -0.508 -12.062
  199   2H5*    A  81          2H5*        A  81 -13.226  -0.820 -11.583
  200    H4*    A  81           H4*        A  81 -13.915   1.561 -11.122
  201    H3*    A  81           H3*        A  81 -13.085  -0.312  -8.941
  202    H1*    A  81           H1*        A  81 -15.458   2.811  -8.906
  203    H8     A  81           H8         A  81 -16.284  -0.886  -8.111
  204   1H6     A  81          1H6         A  81 -20.592   1.590  -4.279
  205   2H6     A  81          2H6         A  81 -19.864   0.061  -4.771
  206    H2     A  81           H2         A  81 -18.581   4.847  -6.296
  207   1H2*    A  81          1H2*        A  81 -14.030   0.850  -7.291
  208   2H2*    A  81          2H2*        A  81 -13.547   2.427  -7.980
  209   1H5*    C  82          1H5*        C  82 -11.815   4.095  -9.107
  210   2H5*    C  82          2H5*        C  82 -10.191   4.403  -8.486
  211    H4*    C  82           H4*        C  82 -11.660   6.112  -7.648
  212    H3*    C  82           H3*        C  82 -10.880   4.081  -5.541
  213    H1*    C  82           H1*        C  82 -14.148   6.065  -5.553
  214   1H4     C  82          1H4         C  82 -17.395   1.515  -3.004
  215   2H4     C  82          2H4         C  82 -16.254   0.363  -3.596
  216    H5     C  82           H5         C  82 -14.396   0.891  -5.027
  217    H6     C  82           H6         C  82 -13.003   2.674  -5.874
  218   1H2*    C  82          1H2*        C  82 -12.053   5.417  -3.948
  219   2H2*    C  82          2H2*        C  82 -12.087   6.822  -5.037
  220   1H5*    G  83          1H5*        G  83 -10.054   8.071  -3.798
  221   2H5*    G  83          2H5*        G  83  -8.476   7.995  -3.013
  222    H4*    G  83           H4*        G  83 -10.056   8.892  -1.516
  223    H3*    G  83           H3*        G  83  -8.381   7.196  -0.633
  224    H1*    G  83           H1*        G  83 -12.134   6.416   0.149
  225    H8     G  83           H8         G  83 -10.384   4.248  -2.537
  226    H1     G  83           H1         G  83 -15.525   1.469   0.196
  227   1H2     G  83          1H2         G  83 -16.184   2.751   1.897
  228   2H2     G  83          2H2         G  83 -15.489   4.352   2.127
  229   1H2*    G  83          1H2*        G  83  -9.543   5.210  -0.817
  230   2H2*    G  83          2H2*        G  83 -10.069   5.613   0.824
  231   1H5*    T  84          1H5*        T  84 -11.731   7.624   2.745
  232   2H5*    T  84          2H5*        T  84 -10.853   8.168   4.196
  233    H4*    T  84           H4*        T  84 -12.379   6.412   4.870
  234    H3*    T  84           H3*        T  84  -9.601   6.246   5.364
  235   1H2*    T  84          1H2*        T  84  -9.226   4.588   3.713
  236   2H2*    T  84          2H2*        T  84  -9.578   3.533   5.111
  237    H1*    T  84           H1*        T  84 -11.907   3.470   4.610
  238    H3     T  84           H3         T  84 -12.802   0.226   1.649
  239   1H5M    T  84          1H5M        T  84  -8.106   1.480   0.181
  240   2H5M    T  84          2H5M        T  84  -9.294   1.439  -1.136
  241   3H5M    T  84          3H5M        T  84  -8.766   2.988  -0.491
  242    H6     T  84           H6         T  84  -9.419   3.649   1.780
  243   1H5*    G  85          1H5*        G  85 -13.036   5.247   8.501
  244   2H5*    G  85          2H5*        G  85 -12.405   5.598  10.118
  245    H4*    G  85           H4*        G  85 -14.021   3.839  10.375
  246    H3*    G  85           H3*        G  85 -11.218   3.235  10.845
  247    H1*    G  85           H1*        G  85 -13.834   0.758   9.097
  248    H8     G  85           H8         G  85 -10.869   2.644   7.542
  249    H1     G  85           H1         G  85 -12.439  -2.861   4.568
  250   1H2     G  85          1H2         G  85 -14.028  -3.871   5.783
  251   2H2     G  85          2H2         G  85 -14.674  -3.089   7.227
  252   1H2*    G  85          1H2*        G  85 -11.037   1.256   9.873
  253   2H2*    G  85          2H2*        G  85 -12.396   0.613  10.829
  254   1H5*    C  86          1H5*        C  86 -13.601   0.054  13.311
  255   2H5*    C  86          2H5*        C  86 -12.745  -0.155  14.849
  256    H4*    C  86           H4*        C  86 -13.027  -2.318  13.755
  257    H3*    C  86           H3*        C  86 -10.215  -1.243  13.888
  258    H1*    C  86           H1*        C  86 -12.013  -3.730  11.447
  259   1H4     C  86          1H4         C  86  -9.049  -2.370   6.032
  260   2H4     C  86          2H4         C  86  -8.413  -0.911   6.716
  261    H5     C  86           H5         C  86  -8.885  -0.079   8.888
  262    H6     C  86           H6         C  86  -9.945  -0.653  11.030
  263   1H2*    C  86          1H2*        C  86  -9.416  -2.804  12.431
  264   2H2*    C  86          2H2*        C  86 -10.520  -4.068  13.022
  265   1H5*    C  87          1H5*        C  87 -11.222  -5.550  15.118
  266   2H5*    C  87          2H5*        C  87 -10.121  -6.234  16.322
  267    H4*    C  87           H4*        C  87 -10.500  -7.829  14.518
  268    H3*    C  87           H3*        C  87  -7.716  -6.637  14.612
  269    H1*    C  87           H1*        C  87  -9.735  -8.032  11.553
  270   1H4     C  87          1H4         C  87  -7.022  -3.988   7.537
  271   2H4     C  87          2H4         C  87  -6.632  -2.905   8.843
  272    H5     C  87           H5         C  87  -6.998  -3.364  11.054
  273    H6     C  87           H6         C  87  -7.935  -4.983  12.712
  274   1H2*    C  87          1H2*        C  87  -7.141  -7.870  12.710
  275   2H2*    C  87          2H2*        C  87  -8.418  -9.089  12.993
  276   1H5*    A  88          1H5*        A  88  -7.859 -10.818  14.157
  277   2H5*    A  88          2H5*        A  88  -6.696 -11.810  15.022
  278    H4*    A  88           H4*        A  88  -6.858 -12.150  12.516
  279    H3*    A  88           H3*        A  88  -4.612 -12.353  14.147
  280    H1*    A  88           H1*        A  88  -4.544 -10.538  10.682
  281    H8     A  88           H8         A  88  -4.865  -8.095  13.720
  282   1H6     A  88          1H6         A  88  -2.079  -4.013   9.892
  283   2H6     A  88          2H6         A  88  -2.784  -4.198  11.500
  284    H2     A  88           H2         A  88  -2.640  -7.673   7.668
  285   1H2*    A  88          1H2*        A  88  -3.637 -10.331  13.565
  286   2H2*    A  88          2H2*        A  88  -2.952 -11.301  12.237
  287   1H5*    A  89          1H5*        A  89  -4.445 -13.180   9.647
  288   2H5*    A  89          2H5*        A  89  -3.885 -14.834   9.380
  289    H4*    A  89           H4*        A  89  -3.383 -13.397   7.473
  290    H3*    A  89           H3*        A  89  -1.568 -15.143   8.601
  291    H1*    A  89           H1*        A  89  -0.576 -11.578   7.583
  292    H8     A  89           H8         A  89  -0.829 -12.017  11.455
  293   1H6     A  89          1H6         A  89   0.981  -5.996  11.480
  294   2H6     A  89          2H6         A  89   0.536  -7.328  12.550
  295    H2     A  89           H2         A  89   0.671  -7.270   7.369
  296   1H2*    A  89          1H2*        A  89  -0.360 -13.577   9.848
  297   2H2*    A  89          2H2*        A  89   0.576 -13.471   8.336
  298   1H5*    A  90          1H5*        A  90   0.232 -12.650   5.020
  299   2H5*    A  90          2H5*        A  90   1.004 -13.781   3.901
  300    H4*    A  90           H4*        A  90   2.335 -11.791   3.999
  301    H3*    A  90           H3*        A  90   3.430 -14.336   4.755
  302    H1*    A  90           H1*        A  90   4.310 -10.821   6.033
  303    H8     A  90           H8         A  90   2.700 -13.101   8.772
  304   1H6     A  90          1H6         A  90   3.648  -8.061  12.405
  305   2H6     A  90          2H6         A  90   2.910  -9.662  12.408
  306    H2     A  90           H2         A  90   5.472  -7.283   8.581
  307   1H2*    A  90          1H2*        A  90   3.995 -13.726   6.897
  308   2H2*    A  90          2H2*        A  90   5.400 -12.943   6.121
  309   1H5*    A  91          1H5*        A  91   6.533 -10.969   3.039
  310   2H5*    A  91          2H5*        A  91   7.883 -11.834   2.292
  311    H4*    A  91           H4*        A  91   8.797 -10.013   3.573
  312    H3*    A  91           H3*        A  91   9.118 -12.656   5.057
  313    H1*    A  91           H1*        A  91   8.860  -9.039   6.401
  314    H8     A  91           H8         A  91   7.516 -12.585   7.079
  315   1H6     A  91          1H6         A  91   6.342 -10.128  12.768
  316   2H6     A  91          2H6         A  91   6.203 -11.632  11.857
  317    H2     A  91           H2         A  91   8.319  -7.120  10.396
  318    H3T    A  91           H3T        A  91  10.335 -12.459   3.103
  319   1H2*    A  91          1H2*        A  91  10.271 -11.502   6.734
  320   2H2*    A  91          2H2*        A  91  10.686 -10.144   5.647
  321   1H    HIS   1          1H        HIS   1  -8.383  10.919  -0.164
  322   2H    HIS   1          2H        HIS   1  -8.812  11.253   1.382
  323   3H    HIS   1          3H        HIS   1  -8.496  12.478   0.329
  324    HA   HIS   1           HA       HIS   1 -10.740  10.572   0.060
  325   2HB   HIS   1          2HB       HIS   1 -12.127  12.661   0.386
  326    HD1  HIS   1           HD1      HIS   1 -10.046  10.537   2.881
  327    HD2  HIS   1           HD2      HIS   1 -13.206  13.363   2.743
  328    HE1  HIS   1           HE1      HIS   1 -11.136  10.486   5.131
  329    H    MET   2           H        MET   2 -11.863  10.692  -1.828
  330    HA   MET   2           HA       MET   2 -12.662  11.309  -3.835
  331   2HB   MET   2          2HB       MET   2 -12.521  14.129  -2.769
  332   2HG   MET   2          2HG       MET   2 -14.770  12.445  -3.958
  333   1HE   MET   2          1HE       MET   2 -17.065  13.545  -4.643
  334   2HE   MET   2          2HE       MET   2 -17.481  15.247  -4.337
  335   3HE   MET   2          3HE       MET   2 -16.189  14.845  -5.486
  336    H    LEU   3           H        LEU   3  -9.565  11.663  -3.768
  337    HA   LEU   3           HA       LEU   3  -8.783  13.713  -5.479
  338   2HB   LEU   3          2HB       LEU   3  -6.727  12.249  -5.815
  339    HG   LEU   3           HG       LEU   3  -7.613  12.188  -2.916
  340   1HD1  LEU   3          1HD1      LEU   3  -4.838  12.861  -3.819
  341   2HD1  LEU   3          2HD1      LEU   3  -5.419  11.921  -2.409
  342   3HD1  LEU   3          3HD1      LEU   3  -5.359  11.214  -4.042
  343   1HD2  LEU   3          1HD2      LEU   3  -8.022  14.474  -3.612
  344   2HD2  LEU   3          2HD2      LEU   3  -6.470  14.457  -2.797
  345   3HD2  LEU   3          3HD2      LEU   3  -6.524  14.494  -4.580
  346    H    THR   4           H        THR   4  -7.468  13.406  -7.431
  347    HA   THR   4           HA       THR   4  -9.314  12.936  -9.646
  348    HB   THR   4           HB       THR   4  -7.585  13.955 -11.032
  349    HG1  THR   4           HG1      THR   4  -5.699  14.697  -9.886
  350   1HG2  THR   4          1HG2      THR   4  -7.860  15.475  -8.415
  351   2HG2  THR   4          2HG2      THR   4  -7.427  16.142 -10.003
  352   3HG2  THR   4          3HG2      THR   4  -9.040  15.461  -9.742
  353    H    GLN   5           H        GLN   5  -7.770  12.215 -11.746
  354    HA   GLN   5           HA       GLN   5  -7.704   9.440 -11.877
  355   2HB   GLN   5          2HB       GLN   5  -7.658  10.982 -13.772
  356   2HG   GLN   5          2HG       GLN   5  -4.692  11.356 -13.172
  357   1HE2  GLN   5          1HE2      GLN   5  -7.122  13.130 -15.199
  358   2HE2  GLN   5          2HE2      GLN   5  -6.177  12.945 -16.673
  359    HN2  GLY   6           HN2      GLY   6  -5.200  11.490 -10.420
  360   1HA   GLY   6          1HA       GLY   6  -4.220   9.248  -8.996
  361   2HA   GLY   6          2HA       GLY   6  -3.099   9.605 -10.314
  362    H    GLU   7           H        GLU   7  -4.898  11.945  -8.050
  363    HA   GLU   7           HA       GLU   7  -2.618  13.579  -7.824
  364   2HB   GLU   7          2HB       GLU   7  -4.385  13.988  -5.631
  365   2HG   GLU   7          2HG       GLU   7  -4.214  15.333  -8.356
  366    H    LEU   8           H        LEU   8  -3.321  10.646  -6.282
  367    HA   LEU   8           HA       LEU   8  -1.020  11.078  -4.401
  368   2HB   LEU   8          2HB       LEU   8  -3.226  10.638  -3.365
  369    HG   LEU   8           HG       LEU   8  -3.561   8.542  -5.166
  370   1HD1  LEU   8          1HD1      LEU   8  -2.783   7.399  -2.438
  371   2HD1  LEU   8          2HD1      LEU   8  -3.413   6.463  -3.784
  372   3HD1  LEU   8          3HD1      LEU   8  -1.805   7.213  -3.913
  373   1HD2  LEU   8          1HD2      LEU   8  -5.559   9.061  -4.234
  374   2HD2  LEU   8          2HD2      LEU   8  -5.229   7.680  -3.200
  375   3HD2  LEU   8          3HD2      LEU   8  -4.879   9.320  -2.613
  376    H    MET   9           H        MET   9  -1.878   9.520  -7.291
  377    HA   MET   9           HA       MET   9  -0.312   7.053  -6.950
  378   2HB   MET   9          2HB       MET   9  -2.251   8.113  -8.906
  379   2HG   MET   9          2HG       MET   9   0.125   6.579  -9.890
  380   1HE   MET   9          1HE       MET   9  -0.290   6.900 -12.960
  381   2HE   MET   9          2HE       MET   9   0.240   5.362 -12.238
  382   3HE   MET   9          3HE       MET   9  -1.099   5.380 -13.406
  383    H    LYS  10           H        LYS  10  -0.058   9.896  -9.049
  384    HA   LYS  10           HA       LYS  10   2.652   9.147  -9.889
  385   2HB   LYS  10          2HB       LYS  10   0.999  10.105 -11.416
  386   2HG   LYS  10          2HG       LYS  10   1.349  12.882 -10.355
  387   2HD   LYS  10          2HD       LYS  10  -1.201  11.549 -11.361
  388   2HE   LYS  10          2HE       LYS  10  -0.196  14.424 -11.223
  389   1HZ   LYS  10          1HZ       LYS  10  -2.806  13.382 -12.177
  390   2HZ   LYS  10          2HZ       LYS  10  -2.416  14.963 -12.006
  391   3HZ   LYS  10          3HZ       LYS  10  -1.658  14.055 -13.129
  392    H    LEU  11           H        LEU  11   2.212   9.760  -7.070
  393    HA   LEU  11           HA       LEU  11   4.188  11.917  -6.473
  394   2HB   LEU  11          2HB       LEU  11   2.843  12.284  -4.374
  395    HG   LEU  11           HG       LEU  11   1.011  13.592  -5.146
  396   1HD1  LEU  11          1HD1      LEU  11   3.326  13.853  -7.099
  397   2HD1  LEU  11          2HD1      LEU  11   2.167  15.127  -6.653
  398   3HD1  LEU  11          3HD1      LEU  11   3.303  14.497  -5.441
  399   1HD2  LEU  11          1HD2      LEU  11   1.502  12.745  -7.985
  400   2HD2  LEU  11          2HD2      LEU  11   0.339  11.860  -6.982
  401   3HD2  LEU  11          3HD2      LEU  11   0.102  13.591  -7.331
  402    H    ILE  12           H        ILE  12   2.605   8.824  -5.418
  403    HA   ILE  12           HA       ILE  12   4.206   8.633  -3.039
  404    HB   ILE  12           HB       ILE  12   3.579   6.202  -3.089
  405   2HG1  ILE  12          2HG1      ILE  12   2.964   6.527  -5.789
  406   1HG2  ILE  12          1HG2      ILE  12   1.528   8.429  -3.093
  407   2HG2  ILE  12          2HG2      ILE  12   1.128   6.763  -2.660
  408   3HG2  ILE  12          3HG2      ILE  12   2.338   7.677  -1.725
  409   1HD1  ILE  12          1HD1      ILE  12   1.822   4.508  -3.775
  410   2HD1  ILE  12          2HD1      ILE  12   1.763   4.294  -5.525
  411   3HD1  ILE  12          3HD1      ILE  12   3.330   4.333  -4.706
  412    H    LYS  13           H        LYS  13   4.847   7.689  -6.338
  413    HA   LYS  13           HA       LYS  13   7.397   6.317  -5.444
  414   2HB   LYS  13          2HB       LYS  13   6.004   5.068  -6.933
  415   2HG   LYS  13          2HG       LYS  13   5.173   7.157  -8.298
  416   2HD   LYS  13          2HD       LYS  13   7.410   7.813  -9.288
  417   2HE   LYS  13          2HE       LYS  13   7.089   5.126 -10.706
  418   1HZ   LYS  13          1HZ       LYS  13   9.106   7.265 -11.119
  419   2HZ   LYS  13          2HZ       LYS  13   9.106   5.809 -11.863
  420   3HZ   LYS  13          3HZ       LYS  13   7.916   6.883 -12.173
  421    H    GLU  14           H        GLU  14   6.450   9.276  -6.389
  422    HA   GLU  14           HA       GLU  14   8.904  10.087  -7.872
  423   2HB   GLU  14          2HB       GLU  14   6.382  11.718  -7.370
  424   2HG   GLU  14          2HG       GLU  14   8.694  11.949  -9.353
  425    H    ILE  15           H        ILE  15   7.544  10.168  -4.655
  426    HA   ILE  15           HA       ILE  15   9.738  11.987  -3.820
  427    HB   ILE  15           HB       ILE  15   8.628  12.345  -1.779
  428   2HG1  ILE  15          2HG1      ILE  15   6.877  10.072  -2.570
  429   1HG2  ILE  15          1HG2      ILE  15   6.753  13.691  -2.505
  430   2HG2  ILE  15          2HG2      ILE  15   8.061  13.786  -3.699
  431   3HG2  ILE  15          3HG2      ILE  15   6.631  12.788  -4.027
  432   1HD1  ILE  15          1HD1      ILE  15   7.403  11.459   0.097
  433   2HD1  ILE  15          2HD1      ILE  15   6.645   9.874  -0.147
  434   3HD1  ILE  15          3HD1      ILE  15   8.360  10.113  -0.555
  435    H    VAL  16           H        VAL  16   8.118   8.772  -2.997
  436    HA   VAL  16           HA       VAL  16  10.116   8.263  -1.088
  437    HB   VAL  16           HB       VAL  16   8.463   6.188  -2.598
  438   1HG1  VAL  16          1HG1      VAL  16  10.213   6.082  -0.128
  439   2HG1  VAL  16          2HG1      VAL  16   8.944   4.861  -0.455
  440   3HG1  VAL  16          3HG1      VAL  16  10.295   5.062  -1.577
  441   1HG2  VAL  16          1HG2      VAL  16   7.078   7.821  -1.294
  442   2HG2  VAL  16          2HG2      VAL  16   7.047   6.200  -0.598
  443   3HG2  VAL  16          3HG2      VAL  16   8.039   7.475   0.143
  444    H    GLU  17           H        GLU  17  10.114   7.590  -4.581
  445    HA   GLU  17           HA       GLU  17  12.695   6.092  -4.242
  446   2HB   GLU  17          2HB       GLU  17  12.564   5.488  -6.562
  447   2HG   GLU  17          2HG       GLU  17  10.404   4.331  -6.776
  448    H    ASN  18           H        ASN  18  12.066   9.212  -4.048
  449    HA   ASN  18           HA       ASN  18  14.453  10.082  -5.597
  450   2HB   ASN  18          2HB       ASN  18  11.871  11.468  -4.781
  451   1HD2  ASN  18          1HD2      ASN  18  12.679  13.354  -3.870
  452   2HD2  ASN  18          2HD2      ASN  18  13.656  14.478  -4.801
  453    H    GLU  19           H        GLU  19  13.005   9.805  -2.425
  454    HA   GLU  19           HA       GLU  19  14.605  11.970  -1.214
  455   2HB   GLU  19          2HB       GLU  19  13.420  11.119   0.900
  456   2HG   GLU  19          2HG       GLU  19  11.096  11.772   0.214
  457    H    ASP  20           H        ASP  20  14.121   8.729   0.102
  458    HA   ASP  20           HA       ASP  20  17.052   8.288   0.220
  459   2HB   ASP  20          2HB       ASP  20  16.744   7.492   2.612
  460    H    LYS  21           H        LYS  21  16.680   6.818  -1.426
  461    HA   LYS  21           HA       LYS  21  15.145   4.389  -1.222
  462   2HB   LYS  21          2HB       LYS  21  16.840   3.502  -2.862
  463   2HG   LYS  21          2HG       LYS  21  15.711   6.269  -3.479
  464   2HD   LYS  21          2HD       LYS  21  17.412   5.513  -5.145
  465   2HE   LYS  21          2HE       LYS  21  15.422   3.236  -5.597
  466   1HZ   LYS  21          1HZ       LYS  21  16.427   4.086  -7.652
  467   2HZ   LYS  21          2HZ       LYS  21  17.931   3.910  -7.037
  468   3HZ   LYS  21          3HZ       LYS  21  17.008   2.595  -7.322
  469    H    ARG  22           H        ARG  22  17.975   5.307   0.422
  470    HA   ARG  22           HA       ARG  22  18.650   2.615   1.484
  471   2HB   ARG  22          2HB       ARG  22  20.528   4.053   1.075
  472   2HG   ARG  22          2HG       ARG  22  20.676   6.043   2.922
  473   2HD   ARG  22          2HD       ARG  22  19.629   6.256   0.073
  474    HE   ARG  22           HE       ARG  22  19.350   8.351   1.789
  475   1HH1  ARG  22          1HH1      ARG  22  21.749   7.962  -0.746
  476   2HH1  ARG  22          2HH1      ARG  22  21.850   9.695  -0.973
  477   1HH2  ARG  22          1HH2      ARG  22  19.458  10.355   1.431
  478   2HH2  ARG  22          2HH2      ARG  22  20.566  11.068   0.252
  479    H    LYS  23           H        LYS  23  16.477   5.078   2.348
  480    HA   LYS  23           HA       LYS  23  15.745   3.789   4.923
  481   2HB   LYS  23          2HB       LYS  23  15.745   5.944   6.142
  482   2HG   LYS  23          2HG       LYS  23  18.537   5.297   5.100
  483   2HD   LYS  23          2HD       LYS  23  19.237   6.108   7.350
  484   2HE   LYS  23          2HE       LYS  23  17.809   8.200   5.647
  485   1HZ   LYS  23          1HZ       LYS  23  20.118   8.467   7.491
  486   2HZ   LYS  23          2HZ       LYS  23  18.618   9.049   7.780
  487   3HZ   LYS  23          3HZ       LYS  23  19.509   9.659   6.556
  488    HA   PRO  24           HA       PRO  24  12.436   5.360   2.054
  489   2HB   PRO  24          2HB       PRO  24  12.430   3.282   0.991
  490   2HG   PRO  24          2HG       PRO  24  12.695   1.259   2.244
  491   2HD   PRO  24          2HD       PRO  24  14.591   2.520   2.579
  492    H    TYR  25           H        TYR  25  10.089   5.573   2.253
  493    HA   TYR  25           HA       TYR  25   9.047   5.909   4.996
  494   2HB   TYR  25          2HB       TYR  25   7.097   6.879   3.893
  495    HD1  TYR  25           HD2      TYR  25   9.920   7.545   1.504
  496    HD2  TYR  25           HD1      TYR  25   7.603   8.936   4.855
  497    HE1  TYR  25           HE2      TYR  25  11.034   9.724   1.312
  498    HE2  TYR  25           HE1      TYR  25   8.754  11.159   4.706
  499    HH   TYR  25           HH       TYR  25  11.201  11.878   2.215
  500    H    SER  26           H        SER  26   6.446   5.215   4.796
  501    HA   SER  26           HA       SER  26   6.155   2.452   3.795
  502   2HB   SER  26          2HB       SER  26   6.766   2.170   6.171
  503    HG   SER  26           HG       SER  26   5.534   3.058   7.753
  504    H    ASP  27           H        ASP  27   3.661   1.881   3.985
  505    HA   ASP  27           HA       ASP  27   2.294   4.013   2.624
  506   2HB   ASP  27          2HB       ASP  27   0.347   2.579   2.586
  507    H    GLN  28           H        GLN  28   2.528   3.300   6.053
  508    HA   GLN  28           HA       GLN  28   0.349   5.103   6.804
  509   2HB   GLN  28          2HB       GLN  28   2.728   3.930   8.285
  510   2HG   GLN  28          2HG       GLN  28   2.262   6.066   9.350
  511   1HE2  GLN  28          1HE2      GLN  28   0.567   7.443   8.291
  512   2HE2  GLN  28          2HE2      GLN  28  -1.067   7.387   8.937
  513    H    GLU  29           H        GLU  29   3.979   5.436   6.584
  514    HA   GLU  29           HA       GLU  29   3.925   8.160   7.391
  515   2HB   GLU  29          2HB       GLU  29   6.255   8.116   6.404
  516   2HG   GLU  29          2HG       GLU  29   7.192   6.367   7.927
  517    H    ILE  30           H        ILE  30   4.040   6.816   4.034
  518    HA   ILE  30           HA       ILE  30   3.934   9.445   2.843
  519    HB   ILE  30           HB       ILE  30   3.380   8.478   0.787
  520   2HG1  ILE  30          2HG1      ILE  30   1.733   6.894   1.161
  521   1HG2  ILE  30          1HG2      ILE  30   5.707   8.357   1.754
  522   2HG2  ILE  30          2HG2      ILE  30   5.370   6.652   2.149
  523   3HG2  ILE  30          3HG2      ILE  30   5.338   7.212   0.466
  524   1HD1  ILE  30          1HD1      ILE  30   4.083   5.028   0.704
  525   2HD1  ILE  30          2HD1      ILE  30   2.412   4.832   0.152
  526   3HD1  ILE  30          3HD1      ILE  30   3.435   6.080  -0.572
  527    H    ALA  31           H        ALA  31   1.342   7.350   4.089
  528    HA   ALA  31           HA       ALA  31  -0.815   8.929   2.901
  529   1HB   ALA  31          1HB       ALA  31  -0.696   7.107   5.348
  530   2HB   ALA  31          2HB       ALA  31  -2.188   7.865   4.750
  531   3HB   ALA  31          3HB       ALA  31  -1.313   6.714   3.730
  532    H    ASN  32           H        ASN  32   1.117   9.215   5.822
  533    HA   ASN  32           HA       ASN  32  -0.424  11.298   7.090
  534   2HB   ASN  32          2HB       ASN  32   2.474  10.440   7.451
  535   1HD2  ASN  32          1HD2      ASN  32   3.655  11.665   8.881
  536   2HD2  ASN  32          2HD2      ASN  32   2.931  12.833   9.983
  537    H    ILE  33           H        ILE  33   2.677  11.516   5.279
  538    HA   ILE  33           HA       ILE  33   2.787  14.393   5.471
  539    HB   ILE  33           HB       ILE  33   3.995  12.818   3.204
  540   2HG1  ILE  33          2HG1      ILE  33   4.574  12.356   5.992
  541   1HG2  ILE  33          1HG2      ILE  33   4.874  15.392   4.554
  542   2HG2  ILE  33          2HG2      ILE  33   5.750  14.541   3.254
  543   3HG2  ILE  33          3HG2      ILE  33   4.154  15.224   2.942
  544   1HD1  ILE  33          1HD1      ILE  33   6.343  11.709   3.615
  545   2HD1  ILE  33          2HD1      ILE  33   6.078  10.757   5.113
  546   3HD1  ILE  33          3HD1      ILE  33   4.787  10.925   3.908
  547    H    LEU  34           H        LEU  34   1.203  12.276   3.156
  548    HA   LEU  34           HA       LEU  34   0.561  14.230   1.129
  549   2HB   LEU  34          2HB       LEU  34  -1.376  12.370   0.871
  550    HG   LEU  34           HG       LEU  34   0.114  12.435  -0.916
  551   1HD1  LEU  34          1HD1      LEU  34   2.382  11.664   0.953
  552   2HD1  LEU  34          2HD1      LEU  34   2.492  11.685  -0.825
  553   3HD1  LEU  34          3HD1      LEU  34   2.161  13.174   0.060
  554   1HD2  LEU  34          1HD2      LEU  34   0.599   9.747   0.427
  555   2HD2  LEU  34          2HD2      LEU  34  -0.819  10.198  -0.536
  556   3HD2  LEU  34          3HD2      LEU  34   0.769  10.110  -1.306
  557    H    LYS  35           H        LYS  35  -0.679  13.697   4.284
  558    HA   LYS  35           HA       LYS  35  -3.203  15.181   3.726
  559   2HB   LYS  35          2HB       LYS  35  -2.615  13.177   5.473
  560   2HG   LYS  35          2HG       LYS  35  -2.998  15.607   7.256
  561   2HD   LYS  35          2HD       LYS  35  -1.940  12.819   7.871
  562   2HE   LYS  35          2HE       LYS  35  -2.700  13.412  10.196
  563   1HZ   LYS  35          1HZ       LYS  35  -0.900  14.942  10.675
  564   2HZ   LYS  35          2HZ       LYS  35  -0.723  15.330   9.096
  565   3HZ   LYS  35          3HZ       LYS  35  -0.389  13.808   9.613
  566    H    GLU  36           H        GLU  36   0.020  16.042   4.312
  567    HA   GLU  36           HA       GLU  36  -0.660  18.517   5.824
  568   2HB   GLU  36          2HB       GLU  36   1.737  18.862   5.962
  569   2HG   GLU  36          2HG       GLU  36   1.184  15.943   6.602
  570    H    LYS  37           H        LYS  37  -0.472  17.523   2.607
  571    HA   LYS  37           HA       LYS  37  -0.109  20.371   1.674
  572   2HB   LYS  37          2HB       LYS  37   1.913  19.569   1.060
  573   2HG   LYS  37          2HG       LYS  37   0.648  16.911   0.287
  574   2HD   LYS  37          2HD       LYS  37   3.528  17.929   0.092
  575   2HE   LYS  37          2HE       LYS  37   2.277  15.176   0.276
  576   1HZ   LYS  37          1HZ       LYS  37   3.875  15.199  -1.607
  577   2HZ   LYS  37          2HZ       LYS  37   5.030  15.859  -0.658
  578   3HZ   LYS  37          3HZ       LYS  37   4.500  14.344  -0.360
  579    HN2  GLY  38           HN2      GLY  38  -2.002  17.385   1.049
  580   1HA   GLY  38          1HA       GLY  38  -4.227  18.843   1.276
  581   2HA   GLY  38          2HA       GLY  38  -3.886  19.187  -0.413
  582    H    PHE  39           H        PHE  39  -2.902  15.976   0.357
  583    HA   PHE  39           HA       PHE  39  -5.004  15.098  -1.448
  584   2HB   PHE  39          2HB       PHE  39  -3.686  13.064  -1.621
  585    HD1  PHE  39           HD1      PHE  39  -3.677  14.720  -3.657
  586    HD2  PHE  39           HD2      PHE  39  -0.684  14.704  -0.541
  587    HE1  PHE  39           HE1      PHE  39  -2.144  15.917  -5.139
  588    HE2  PHE  39           HE2      PHE  39   0.846  15.960  -2.017
  589    HZ   PHE  39           HZ       PHE  39   0.138  16.595  -4.326
  590    H    LYS  40           H        LYS  40  -4.178  14.894   1.840
  591    HA   LYS  40           HA       LYS  40  -4.593  13.337   3.550
  592   2HB   LYS  40          2HB       LYS  40  -5.715  15.311   4.150
  593   2HG   LYS  40          2HG       LYS  40  -7.708  14.550   2.051
  594   2HD   LYS  40          2HD       LYS  40  -9.307  16.224   3.128
  595   2HE   LYS  40          2HE       LYS  40  -8.790  13.550   4.505
  596   1HZ   LYS  40          1HZ       LYS  40 -10.256  14.902   5.874
  597   2HZ   LYS  40          2HZ       LYS  40 -11.150  13.748   5.131
  598   3HZ   LYS  40          3HZ       LYS  40 -11.201  15.290   4.600
  599    H    VAL  41           H        VAL  41  -4.364  11.802   1.692
  600    HA   VAL  41           HA       VAL  41  -6.596   9.805   1.602
  601    HB   VAL  41           HB       VAL  41  -5.570  10.077  -0.548
  602   1HG1  VAL  41          1HG1      VAL  41  -3.398  10.995   0.091
  603   2HG1  VAL  41          2HG1      VAL  41  -2.920   9.448   0.829
  604   3HG1  VAL  41          3HG1      VAL  41  -3.172   9.578  -0.917
  605   1HG2  VAL  41          1HG2      VAL  41  -6.161   7.772  -0.179
  606   2HG2  VAL  41          2HG2      VAL  41  -4.582   7.760  -0.949
  607   3HG2  VAL  41          3HG2      VAL  41  -4.681   7.455   0.762
  608    H    ALA  42           H        ALA  42  -6.469   7.873   2.634
  609    HA   ALA  42           HA       ALA  42  -4.750   7.542   4.983
  610   1HB   ALA  42          1HB       ALA  42  -7.242   7.364   5.098
  611   2HB   ALA  42          2HB       ALA  42  -7.164   5.978   3.986
  612   3HB   ALA  42          3HB       ALA  42  -6.426   5.875   5.595
  613    H    ARG  43           H        ARG  43  -4.057   5.424   5.486
  614    HA   ARG  43           HA       ARG  43  -2.130   4.393   3.696
  615   2HB   ARG  43          2HB       ARG  43  -3.181   3.280   6.323
  616   2HG   ARG  43          2HG       ARG  43  -0.507   2.777   6.273
  617   2HD   ARG  43          2HD       ARG  43  -2.469   1.188   6.877
  618    HE   ARG  43           HE       ARG  43  -2.296   0.670   4.037
  619   1HH1  ARG  43          1HH1      ARG  43  -2.592  -1.079   7.048
  620   2HH1  ARG  43          2HH1      ARG  43  -3.348  -2.457   6.287
  621   1HH2  ARG  43          1HH2      ARG  43  -3.068  -1.183   3.096
  622   2HH2  ARG  43          2HH2      ARG  43  -3.393  -2.580   4.093
  623    H    ARG  44           H        ARG  44  -5.400   3.431   3.967
  624    HA   ARG  44           HA       ARG  44  -5.121   0.621   3.095
  625   2HB   ARG  44          2HB       ARG  44  -7.722   1.270   2.614
  626   2HG   ARG  44          2HG       ARG  44  -7.252  -0.478   4.123
  627   2HD   ARG  44          2HD       ARG  44  -5.334   0.127   5.378
  628    HE   ARG  44           HE       ARG  44  -5.047   2.133   6.381
  629   1HH1  ARG  44          1HH1      ARG  44  -8.586   1.751   6.569
  630   2HH1  ARG  44          2HH1      ARG  44  -8.639   3.320   7.371
  631   1HH2  ARG  44          1HH2      ARG  44  -5.425   4.035   7.498
  632   2HH2  ARG  44          2HH2      ARG  44  -7.113   4.458   7.780
  633    H    THR  45           H        THR  45  -5.679   3.797   1.528
  634    HA   THR  45           HA       THR  45  -6.221   2.728  -1.056
  635    HB   THR  45           HB       THR  45  -5.501   5.543  -0.158
  636    HG1  THR  45           HG1      THR  45  -7.372   5.827   0.798
  637   1HG2  THR  45          1HG2      THR  45  -5.884   5.059  -2.585
  638   2HG2  THR  45          2HG2      THR  45  -7.531   4.533  -2.156
  639   3HG2  THR  45          3HG2      THR  45  -7.020   6.225  -1.913
  640    H    VAL  46           H        VAL  46  -3.671   4.558   0.620
  641    HA   VAL  46           HA       VAL  46  -2.164   4.990  -1.653
  642    HB   VAL  46           HB       VAL  46  -2.217   6.063   0.770
  643   1HG1  VAL  46          1HG1      VAL  46   0.315   4.404   0.977
  644   2HG1  VAL  46          2HG1      VAL  46  -0.262   5.663   2.074
  645   3HG1  VAL  46          3HG1      VAL  46  -1.173   4.141   1.899
  646   1HG2  VAL  46          1HG2      VAL  46  -1.017   6.954  -1.288
  647   2HG2  VAL  46          2HG2      VAL  46  -0.272   7.345   0.256
  648   3HG2  VAL  46          3HG2      VAL  46   0.401   6.037  -0.749
  649    H    ALA  47           H        ALA  47  -2.237   2.270   0.554
  650    HA   ALA  47           HA       ALA  47   0.121   0.948  -0.261
  651   1HB   ALA  47          1HB       ALA  47  -0.977  -0.967   0.960
  652   2HB   ALA  47          2HB       ALA  47  -1.001   0.536   1.899
  653   3HB   ALA  47          3HB       ALA  47  -2.470  -0.001   1.056
  654    H    LYS  48           H        LYS  48  -3.216   0.923  -1.400
  655    HA   LYS  48           HA       LYS  48  -2.939  -1.358  -3.188
  656   2HB   LYS  48          2HB       LYS  48  -5.142  -0.312  -4.103
  657   2HG   LYS  48          2HG       LYS  48  -4.931  -1.088  -1.163
  658   2HD   LYS  48          2HD       LYS  48  -7.375  -1.038  -2.996
  659   2HE   LYS  48          2HE       LYS  48  -8.590  -1.461  -0.835
  660   1HZ   LYS  48          1HZ       LYS  48  -6.628  -3.576  -1.540
  661   2HZ   LYS  48          2HZ       LYS  48  -8.013  -3.814  -0.708
  662   3HZ   LYS  48          3HZ       LYS  48  -8.074  -3.353  -2.273
  663    H    TYR  49           H        TYR  49  -2.224   2.024  -3.389
  664    HA   TYR  49           HA       TYR  49  -2.274   2.136  -6.291
  665   2HB   TYR  49          2HB       TYR  49  -0.950   4.353  -5.699
  666    HD1  TYR  49           HD2      TYR  49  -4.268   2.728  -4.962
  667    HD2  TYR  49           HD1      TYR  49  -2.152   6.214  -6.284
  668    HE1  TYR  49           HE2      TYR  49  -6.360   3.605  -6.019
  669    HE2  TYR  49           HE1      TYR  49  -4.221   7.089  -7.385
  670    HH   TYR  49           HH       TYR  49  -7.084   6.181  -6.592
  671    H    ARG  50           H        ARG  50   0.412   1.825  -3.950
  672    HA   ARG  50           HA       ARG  50   2.475   1.991  -5.956
  673   2HB   ARG  50          2HB       ARG  50   3.088   2.095  -3.638
  674   2HG   ARG  50          2HG       ARG  50   2.047  -0.755  -3.474
  675   2HD   ARG  50          2HD       ARG  50   4.378  -0.640  -2.547
  676    HE   ARG  50           HE       ARG  50   3.291   1.145  -0.391
  677   1HH1  ARG  50          1HH1      ARG  50   5.814   0.810  -2.783
  678   2HH1  ARG  50          2HH1      ARG  50   6.828   1.987  -1.986
  679   1HH2  ARG  50          1HH2      ARG  50   4.361   2.638   0.379
  680   2HH2  ARG  50          2HH2      ARG  50   5.973   3.113  -0.198
  681    H    GLU  51           H        GLU  51   0.162  -0.480  -5.445
  682    HA   GLU  51           HA       GLU  51   1.607  -2.629  -6.847
  683   2HB   GLU  51          2HB       GLU  51  -0.557  -3.770  -6.956
  684   2HG   GLU  51          2HG       GLU  51  -0.232  -2.577  -4.179
  685    H    MET  52           H        MET  52  -0.649  -0.066  -7.834
  686    HA   MET  52           HA       MET  52  -0.891  -1.210 -10.558
  687   2HB   MET  52          2HB       MET  52  -2.858  -0.176  -9.487
  688   2HG   MET  52          2HG       MET  52  -1.372   2.431 -10.006
  689   1HE   MET  52          1HE       MET  52  -4.935   0.797  -9.007
  690   2HE   MET  52          2HE       MET  52  -4.364   1.760  -7.624
  691   3HE   MET  52          3HE       MET  52  -5.774   2.295  -8.558
  692    H    LEU  53           H        LEU  53   0.986   1.283  -8.937
  693    HA   LEU  53           HA       LEU  53   2.113   2.419 -11.373
  694   2HB   LEU  53          2HB       LEU  53   3.809   3.265  -9.577
  695    HG   LEU  53           HG       LEU  53   0.916   3.921 -10.050
  696   1HD1  LEU  53          1HD1      LEU  53   0.692   5.484  -8.227
  697   2HD1  LEU  53          2HD1      LEU  53   0.991   3.912  -7.563
  698   3HD1  LEU  53          3HD1      LEU  53   2.319   5.092  -7.629
  699   1HD2  LEU  53          1HD2      LEU  53   3.373   5.634  -9.697
  700   2HD2  LEU  53          2HD2      LEU  53   3.003   4.783 -11.208
  701   3HD2  LEU  53          3HD2      LEU  53   1.930   6.068 -10.609
  702    HN2  GLY  54           HN2      GLY  54   3.627   0.345  -8.876
  703   1HA   GLY  54          1HA       GLY  54   4.209  -1.864 -10.324
  704   2HA   GLY  54          2HA       GLY  54   5.484  -0.779 -10.865
  705    H    ILE  55           H        ILE  55   4.645  -0.488  -7.501
  706    HA   ILE  55           HA       ILE  55   7.309  -1.646  -6.843
  707    HB   ILE  55           HB       ILE  55   5.931   0.855  -5.894
  708   2HG1  ILE  55          2HG1      ILE  55   7.512   0.533  -8.085
  709   1HG2  ILE  55          1HG2      ILE  55   8.530  -0.312  -4.805
  710   2HG2  ILE  55          2HG2      ILE  55   7.841   1.265  -4.407
  711   3HG2  ILE  55          3HG2      ILE  55   7.007  -0.214  -3.909
  712   1HD1  ILE  55          1HD1      ILE  55   7.798   2.887  -6.170
  713   2HD1  ILE  55          2HD1      ILE  55   8.198   2.871  -7.903
  714   3HD1  ILE  55          3HD1      ILE  55   6.510   2.674  -7.385
  715    HA   PRO  56           HA       PRO  56   5.015  -4.270  -4.067
  716   2HB   PRO  56          2HB       PRO  56   6.633  -5.825  -4.371
  717   2HG   PRO  56          2HG       PRO  56   8.876  -5.204  -4.717
  718   2HD   PRO  56          2HD       PRO  56   7.845  -3.706  -6.199
  719    H    SER  57           H        SER  57   7.660  -2.584  -2.341
  720    HA   SER  57           HA       SER  57   5.728  -1.372  -0.440
  721   2HB   SER  57          2HB       SER  57   6.272  -3.673   0.427
  722    HG   SER  57           HG       SER  57   8.281  -4.016   1.276
  723    H    SER  58           H        SER  58   8.619  -1.161  -2.039
  724    HA   SER  58           HA       SER  58  10.484   0.131  -2.062
  725   2HB   SER  58          2HB       SER  58  10.557   2.355  -1.069
  726    HG   SER  58           HG       SER  58   9.447   2.623  -2.831
  727    H    ARG  59           H        ARG  59   9.527  -1.316   0.851
  728    HA   ARG  59           HA       ARG  59  12.045  -0.748   2.315
  729   2HB   ARG  59          2HB       ARG  59   9.621  -2.457   3.051
  730   2HG   ARG  59          2HG       ARG  59  10.640  -1.730   5.408
  731   2HD   ARG  59          2HD       ARG  59  11.752  -4.084   3.838
  732    HE   ARG  59           HE       ARG  59  12.272  -3.257   6.556
  733   1HH1  ARG  59          1HH1      ARG  59  11.636  -6.172   4.726
  734   2HH1  ARG  59          2HH1      ARG  59  12.489  -7.178   5.871
  735   1HH2  ARG  59          1HH2      ARG  59  13.329  -4.583   7.968
  736   2HH2  ARG  59          2HH2      ARG  59  13.408  -6.296   7.658
  737    H    GLU  60           H        GLU  60  10.449  -3.285   0.478
  738    HA   GLU  60           HA       GLU  60  12.594  -5.180   1.023
  739   2HB   GLU  60          2HB       GLU  60  10.269  -5.882   0.691
  740   2HG   GLU  60          2HG       GLU  60   9.939  -4.476  -1.521
  741    H    ARG  61           H        ARG  61  12.069  -2.719  -1.299
  742    HA   ARG  61           HA       ARG  61  14.194  -3.389  -3.188
  743   2HB   ARG  61          2HB       ARG  61  14.006  -0.915  -3.743
  744   2HG   ARG  61          2HG       ARG  61  11.472  -2.602  -3.702
  745   2HD   ARG  61          2HD       ARG  61  10.707  -0.376  -4.072
  746    HE   ARG  61           HE       ARG  61  12.129   1.190  -4.974
  747   1HH1  ARG  61          1HH1      ARG  61  12.525  -1.624  -7.033
  748   2HH1  ARG  61          2HH1      ARG  61  13.475  -0.709  -8.181
  749   1HH2  ARG  61          1HH2      ARG  61  13.181   2.223  -6.385
  750   2HH2  ARG  61          2HH2      ARG  61  13.862   1.465  -7.835
  751    H    ARG  62           H        ARG  62  14.037  -1.399  -0.213
  752    HA   ARG  62           HA       ARG  62  16.743  -0.460  -0.278
  753   2HB   ARG  62          2HB       ARG  62  14.522  -0.633   1.790
  754   2HG   ARG  62          2HG       ARG  62  16.342   1.491   2.365
  755   2HD   ARG  62          2HD       ARG  62  15.779  -1.112   3.809
  756    HE   ARG  62           HE       ARG  62  17.333   1.234   4.596
  757   1HH1  ARG  62          1HH1      ARG  62  15.200  -1.139   6.033
  758   2HH1  ARG  62          2HH1      ARG  62  15.860  -0.880   7.632
  759   1HH2  ARG  62          1HH2      ARG  62  18.136   1.490   6.595
  760   2HH2  ARG  62          2HH2      ARG  62  17.488   0.579   7.938
  761    H    ILE  63           H        ILE  63  15.195  -2.879   1.794
  762    HA   ILE  63           HA       ILE  63  17.334  -3.375   3.466
  763    HB   ILE  63           HB       ILE  63  14.895  -3.973   3.772
  764   2HG1  ILE  63          2HG1      ILE  63  16.984  -6.011   4.637
  765   1HG2  ILE  63          1HG2      ILE  63  14.731  -5.352   1.658
  766   2HG2  ILE  63          2HG2      ILE  63  15.639  -6.627   2.485
  767   3HG2  ILE  63          3HG2      ILE  63  14.060  -6.118   3.111
  768   1HD1  ILE  63          1HD1      ILE  63  15.641  -3.677   6.085
  769   2HD1  ILE  63          2HD1      ILE  63  16.724  -4.867   6.832
  770   3HD1  ILE  63          3HD1      ILE  63  17.356  -3.752   5.608
  Start of MODEL   13
    1   1H5*    T  64          1H5*        T  64   7.899  -2.729  19.403
    2   2H5*    T  64          2H5*        T  64   7.876  -1.041  18.897
    3    H4*    T  64           H4*        T  64   9.811  -1.928  18.001
    4    H3*    T  64           H3*        T  64   7.862  -1.023  16.176
    5   1H2*    T  64          1H2*        T  64   7.241  -2.945  15.320
    6   2H2*    T  64          2H2*        T  64   8.686  -2.740  14.287
    7    H1*    T  64           H1*        T  64   9.902  -4.256  15.459
    8    H3     T  64           H3         T  64   7.404  -7.789  14.001
    9   1H5M    T  64          1H5M        T  64   5.161  -5.794  18.543
   10   2H5M    T  64          2H5M        T  64   4.047  -6.055  17.183
   11   3H5M    T  64          3H5M        T  64   4.806  -7.442  17.995
   12    H6     T  64           H6         T  64   6.916  -4.535  17.510
   13    H5T    T  64           H5T        T  64   5.803  -1.981  18.676
   14   1H5*    T  65          1H5*        T  65  10.848  -1.453  12.949
   15   2H5*    T  65          2H5*        T  65  10.841   0.062  12.033
   16    H4*    T  65           H4*        T  65  10.123  -1.773  10.597
   17    H3*    T  65           H3*        T  65   7.970   0.179  11.384
   18   1H2*    T  65          1H2*        T  65   6.313  -1.164  10.738
   19   2H2*    T  65          2H2*        T  65   7.161  -1.693   9.263
   20    H1*    T  65           H1*        T  65   8.111  -3.483  10.212
   21    H3     T  65           H3         T  65   4.776  -6.225  11.388
   22   1H5M    T  65          1H5M        T  65   3.410  -3.129  14.761
   23   2H5M    T  65          2H5M        T  65   4.812  -3.754  15.652
   24   3H5M    T  65          3H5M        T  65   4.849  -2.115  14.969
   25    H6     T  65           H6         T  65   6.456  -2.106  13.275
   26   1H5*    T  66          1H5*        T  66   8.685  -1.228   7.231
   27   2H5*    T  66          2H5*        T  66   8.399  -0.077   5.919
   28    H4*    T  66           H4*        T  66   7.535  -2.240   5.259
   29    H3*    T  66           H3*        T  66   5.896   0.077   5.339
   30   1H2*    T  66          1H2*        T  66   4.471  -0.714   6.950
   31   2H2*    T  66          2H2*        T  66   3.678  -1.545   5.600
   32    H1*    T  66           H1*        T  66   4.946  -3.549   5.925
   33    H3     T  66           H3         T  66   2.383  -5.664   9.009
   34   1H5M    T  66          1H5M        T  66   2.682  -0.731  10.737
   35   2H5M    T  66          2H5M        T  66   2.494  -2.027  11.933
   36   3H5M    T  66          3H5M        T  66   4.103  -1.384  11.577
   37    H6     T  66           H6         T  66   4.624  -1.390   8.987
   38   1H5*    T  67          1H5*        T  67   4.792  -3.825   3.529
   39   2H5*    T  67          2H5*        T  67   4.339  -3.622   1.832
   40    H4*    T  67           H4*        T  67   3.206  -5.559   2.755
   41    H3*    T  67           H3*        T  67   1.918  -3.430   1.458
   42   1H2*    T  67          1H2*        T  67   0.806  -2.680   3.430
   43   2H2*    T  67          2H2*        T  67  -0.410  -3.877   2.882
   44    H1*    T  67           H1*        T  67   0.658  -5.641   4.154
   45    H3     T  67           H3         T  67  -1.521  -5.233   8.080
   46   1H5M    T  67          1H5M        T  67   0.193  -0.439   7.626
   47   2H5M    T  67          2H5M        T  67   0.700  -1.248   9.119
   48   3H5M    T  67          3H5M        T  67   1.849  -1.068   7.785
   49    H6     T  67           H6         T  67   1.492  -2.323   5.698
   50   1H5*    G  68          1H5*        G  68   0.360  -7.985   0.976
   51   2H5*    G  68          2H5*        G  68  -0.300  -8.117  -0.658
   52    H4*    G  68           H4*        G  68  -1.302  -9.743   0.851
   53    H3*    G  68           H3*        G  68  -2.862  -8.052  -0.793
   54    H1*    G  68           H1*        G  68  -3.789  -8.910   2.922
   55    H8     G  68           H8         G  68  -2.130  -5.435   2.335
   56    H1     G  68           H1         G  68  -5.801  -5.921   7.634
   57   1H2     G  68          1H2         G  68  -7.044  -7.799   7.391
   58   2H2     G  68          2H2         G  68  -6.588  -8.991   6.182
   59   1H2*    G  68          1H2*        G  68  -3.766  -6.735   0.832
   60   2H2*    G  68          2H2*        G  68  -4.909  -8.084   1.044
   61   1H5*    G  69          1H5*        G  69  -7.308 -11.379  -1.121
   62   2H5*    G  69          2H5*        G  69  -7.603  -9.673  -0.748
   63    H4*    G  69           H4*        G  69  -7.751 -12.035   1.186
   64    H3*    G  69           H3*        G  69  -9.658 -11.308  -0.619
   65    H1*    G  69           H1*        G  69  -9.722  -9.651   2.905
   66    H8     G  69           H8         G  69  -7.782  -7.449   0.287
   67    H1     G  69           H1         G  69  -9.469  -4.510   5.791
   68   1H2     G  69          1H2         G  69 -10.730  -5.904   6.994
   69   2H2     G  69          2H2         G  69 -11.017  -7.539   6.414
   70   1H2*    G  69          1H2*        G  69  -9.765  -9.017  -0.052
   71   2H2*    G  69          2H2*        G  69 -11.072  -9.628   0.997
   72   1H5*    C  70          1H5*        C  70 -11.903 -11.537   3.408
   73   2H5*    C  70          2H5*        C  70 -13.464 -12.349   3.228
   74    H4*    C  70           H4*        C  70 -13.795 -10.319   4.442
   75    H3*    C  70           H3*        C  70 -15.088 -10.623   1.846
   76    H1*    C  70           H1*        C  70 -14.082  -7.731   3.974
   77   1H4     C  70          1H4         C  70 -10.887  -2.696   2.117
   78   2H4     C  70          2H4         C  70 -10.371  -3.403   0.586
   79    H5     C  70           H5         C  70 -10.720  -5.770   0.132
   80    H6     C  70           H6         C  70 -12.084  -7.724   0.778
   81   1H2*    C  70          1H2*        C  70 -14.233  -8.614   1.061
   82   2H2*    C  70          2H2*        C  70 -15.532  -7.884   2.050
   83   1H5*    A  71          1H5*        A  71 -16.962  -8.021   5.369
   84   2H5*    A  71          2H5*        A  71 -18.730  -8.001   5.299
   85    H4*    A  71           H4*        A  71 -17.841  -5.798   5.904
   86    H3*    A  71           H3*        A  71 -19.123  -5.968   3.165
   87    H1*    A  71           H1*        A  71 -16.442  -3.605   4.720
   88    H8     A  71           H8         A  71 -16.243  -5.791   1.553
   89   1H6     A  71          1H6         A  71 -12.706  -0.953  -0.387
   90   2H6     A  71          2H6         A  71 -13.153  -2.596  -0.887
   91    H2     A  71           H2         A  71 -14.683   0.259   3.139
   92   1H2*    A  71          1H2*        A  71 -18.571  -3.755   2.754
   93   2H2*    A  71          2H2*        A  71 -18.618  -3.314   4.485
   94   1H5*    C  72          1H5*        C  72 -20.349  -3.031   6.489
   95   2H5*    C  72          2H5*        C  72 -22.046  -2.542   6.391
   96    H4*    C  72           H4*        C  72 -20.701  -0.595   6.887
   97    H3*    C  72           H3*        C  72 -21.663  -0.640   4.014
   98    H1*    C  72           H1*        C  72 -18.573   1.087   5.511
   99   1H4     C  72          1H4         C  72 -15.653   0.675  -0.098
  100   2H4     C  72          2H4         C  72 -16.889  -0.352  -0.707
  101    H5     C  72           H5         C  72 -18.534  -1.416   0.698
  102    H6     C  72           H6         C  72 -19.709  -1.215   2.859
  103   1H2*    C  72          1H2*        C  72 -20.748   1.485   3.774
  104   2H2*    C  72          2H2*        C  72 -20.714   1.794   5.538
  105   1H5*    G  73          1H5*        G  73 -22.733   3.064   5.815
  106   2H5*    G  73          2H5*        G  73 -24.294   3.727   5.289
  107    H4*    G  73           H4*        G  73 -22.514   5.380   5.021
  108    H3*    G  73           H3*        G  73 -23.580   4.277   2.409
  109    H1*    G  73           H1*        G  73 -19.907   5.328   2.931
  110    H8     G  73           H8         G  73 -22.158   2.302   2.237
  111    H1     G  73           H1         G  73 -17.237   3.158  -1.873
  112   1H2     G  73          1H2         G  73 -16.589   5.323  -1.714
  113   2H2     G  73          2H2         G  73 -17.216   6.305  -0.394
  114   1H2*    G  73          1H2*        G  73 -22.048   5.767   1.303
  115   2H2*    G  73          2H2*        G  73 -21.757   6.693   2.808
  116   1H5*    T  74          1H5*        T  74 -22.937   8.276   1.793
  117   2H5*    T  74          2H5*        T  74 -24.270   9.161   1.029
  118    H4*    T  74           H4*        T  74 -22.122   9.469  -0.221
  119    H3*    T  74           H3*        T  74 -24.266   7.845  -1.613
  120   1H2*    T  74          1H2*        T  74 -22.777   7.730  -3.475
  121   2H2*    T  74          2H2*        T  74 -21.805   9.101  -2.874
  122    H1*    T  74           H1*        T  74 -20.464   7.603  -1.950
  123    H3     T  74           H3         T  74 -20.391   3.522  -4.061
  124   1H5M    T  74          1H5M        T  74 -23.960   3.499   0.018
  125   2H5M    T  74          2H5M        T  74 -24.704   3.021  -1.523
  126   3H5M    T  74          3H5M        T  74 -23.453   2.002  -0.784
  127    H6     T  74           H6         T  74 -23.134   5.673  -0.739
  128   1H5*    T  75          1H5*        T  75 -22.462  10.783  -4.069
  129   2H5*    T  75          2H5*        T  75 -23.593  11.775  -4.985
  130    H4*    T  75           H4*        T  75 -21.808  10.864  -6.411
  131    H3*    T  75           H3*        T  75 -24.632  10.616  -6.880
  132   1H2*    T  75          1H2*        T  75 -24.814   8.461  -7.204
  133   2H2*    T  75          2H2*        T  75 -23.908   8.645  -8.717
  134    H1*    T  75           H1*        T  75 -21.953   7.966  -7.824
  135    H3     T  75           H3         T  75 -22.314   3.554  -6.845
  136   1H5M    T  75          1H5M        T  75 -25.623   4.426  -3.637
  137   2H5M    T  75          2H5M        T  75 -24.956   5.947  -3.018
  138   3H5M    T  75          3H5M        T  75 -26.246   5.974  -4.238
  139    H6     T  75           H6         T  75 -24.305   7.622  -5.225
  140   1H5*    T  76          1H5*        T  76 -21.501  10.129 -10.276
  141   2H5*    T  76          2H5*        T  76 -21.954  10.905 -11.803
  142    H4*    T  76           H4*        T  76 -20.906   8.731 -12.221
  143    H3*    T  76           H3*        T  76 -23.760   9.166 -12.948
  144   1H2*    T  76          1H2*        T  76 -24.364   7.003 -12.830
  145   2H2*    T  76          2H2*        T  76 -22.946   6.498 -13.788
  146    H1*    T  76           H1*        T  76 -21.702   5.947 -12.050
  147    H3     T  76           H3         T  76 -23.777   2.675  -9.650
  148   1H5M    T  76          1H5M        T  76 -26.397   7.367  -8.823
  149   2H5M    T  76          2H5M        T  76 -27.217   5.819  -8.493
  150   3H5M    T  76          3H5M        T  76 -25.936   6.412  -7.407
  151    H6     T  76           H6         T  76 -24.658   7.364 -10.320
  152   1H5*    C  77          1H5*        C  77 -21.001   6.776 -15.812
  153   2H5*    C  77          2H5*        C  77 -21.494   6.903 -17.504
  154    H4*    C  77           H4*        C  77 -21.157   4.578 -17.037
  155    H3*    C  77           H3*        C  77 -24.128   5.153 -16.993
  156    H1*    C  77           H1*        C  77 -22.018   2.386 -15.269
  157   1H4     C  77          1H4         C  77 -26.912   1.916 -11.284
  158   2H4     C  77          2H4         C  77 -27.415   3.595 -11.541
  159    H5     C  77           H5         C  77 -26.234   5.058 -13.083
  160    H6     C  77           H6         C  77 -24.338   5.115 -14.740
  161    H3T    C  77           H3T        C  77 -23.116   5.490 -19.039
  162   1H2*    C  77          1H2*        C  77 -24.422   2.840 -16.731
  163   2H2*    C  77          2H2*        C  77 -22.805   2.458 -17.400
  164   1H5*    G  78          1H5*        G  78 -30.463  -8.081 -11.180
  165   2H5*    G  78          2H5*        G  78 -29.365  -9.068 -10.199
  166    H4*    G  78           H4*        G  78 -28.235  -8.547 -12.236
  167    H3*    G  78           H3*        G  78 -27.218  -6.964  -9.866
  168    H1*    G  78           H1*        G  78 -27.320  -5.624 -13.559
  169    H8     G  78           H8         G  78 -29.172  -4.906 -10.373
  170    H1     G  78           H1         G  78 -25.621   0.050 -12.489
  171   1H2     G  78          1H2         G  78 -24.141  -0.753 -13.946
  172   2H2     G  78          2H2         G  78 -24.269  -2.422 -14.508
  173   1H2*    G  78          1H2*        G  78 -25.846  -5.714 -11.192
  174   2H2*    G  78          2H2*        G  78 -25.787  -6.936 -12.512
  175    H5T    G  78           H5T        G  78 -30.439  -7.461  -8.947
  176   1H5*    A  79          1H5*        A  79 -23.797  -7.816 -12.082
  177   2H5*    A  79          2H5*        A  79 -22.452  -8.403 -11.095
  178    H4*    A  79           H4*        A  79 -21.880  -6.317 -12.346
  179    H3*    A  79           H3*        A  79 -21.883  -6.276  -9.339
  180    H1*    A  79           H1*        A  79 -22.425  -3.414 -11.999
  181    H8     A  79           H8         A  79 -24.821  -4.692  -9.332
  182   1H6     A  79          1H6         A  79 -25.542   1.455  -8.063
  183   2H6     A  79          2H6         A  79 -26.242  -0.123  -7.660
  184    H2     A  79           H2         A  79 -22.262   1.095 -10.724
  185   1H2*    A  79          1H2*        A  79 -21.473  -4.017  -9.333
  186   2H2*    A  79          2H2*        A  79 -20.618  -4.073 -10.903
  187   1H5*    A  80          1H5*        A  80 -18.648  -4.884 -12.073
  188   2H5*    A  80          2H5*        A  80 -16.950  -5.043 -11.592
  189    H4*    A  80           H4*        A  80 -17.586  -2.755 -12.555
  190    H3*    A  80           H3*        A  80 -16.301  -3.059  -9.845
  191    H1*    A  80           H1*        A  80 -18.791  -0.343 -11.211
  192    H8     A  80           H8         A  80 -19.414  -3.068  -8.584
  193   1H6     A  80          1H6         A  80 -22.906   1.385  -5.774
  194   2H6     A  80          2H6         A  80 -22.499  -0.328  -5.656
  195    H2     A  80           H2         A  80 -20.801   3.199  -9.042
  196   1H2*    A  80          1H2*        A  80 -17.043  -1.243  -9.069
  197   2H2*    A  80          2H2*        A  80 -16.658  -0.289 -10.543
  198   1H5*    A  81          1H5*        A  81 -15.024   0.515 -12.244
  199   2H5*    A  81          2H5*        A  81 -13.267   0.769 -12.190
  200    H4*    A  81           H4*        A  81 -14.470   2.863 -11.533
  201    H3*    A  81           H3*        A  81 -12.717   1.386  -9.640
  202    H1*    A  81           H1*        A  81 -15.854   3.642  -8.991
  203    H8     A  81           H8         A  81 -15.379  -0.143  -8.197
  204   1H6     A  81          1H6         A  81 -20.061   0.919  -4.110
  205   2H6     A  81          2H6         A  81 -18.974  -0.358  -4.663
  206    H2     A  81           H2         A  81 -19.353   4.551  -6.257
  207   1H2*    A  81          1H2*        A  81 -13.717   2.005  -7.783
  208   2H2*    A  81          2H2*        A  81 -13.753   3.727  -8.278
  209   1H5*    C  82          1H5*        C  82 -12.387   6.080  -9.035
  210   2H5*    C  82          2H5*        C  82 -10.697   6.411  -8.618
  211    H4*    C  82           H4*        C  82 -12.076   7.435  -6.921
  212    H3*    C  82           H3*        C  82 -10.740   4.871  -6.033
  213    H1*    C  82           H1*        C  82 -13.935   6.711  -4.840
  214   1H4     C  82          1H4         C  82 -17.290   1.815  -2.727
  215   2H4     C  82          2H4         C  82 -16.259   0.780  -3.618
  216    H5     C  82           H5         C  82 -14.609   1.500  -5.232
  217    H6     C  82           H6         C  82 -13.347   3.351  -6.044
  218   1H2*    C  82          1H2*        C  82 -11.828   4.860  -4.083
  219   2H2*    C  82          2H2*        C  82 -11.885   6.645  -3.933
  220   1H5*    G  83          1H5*        G  83  -9.897   8.652  -3.478
  221   2H5*    G  83          2H5*        G  83  -8.349   8.490  -2.653
  222    H4*    G  83           H4*        G  83 -10.003   9.428  -1.245
  223    H3*    G  83           H3*        G  83  -8.335   7.759  -0.277
  224    H1*    G  83           H1*        G  83 -12.111   7.031   0.429
  225    H8     G  83           H8         G  83 -10.249   4.682  -2.016
  226    H1     G  83           H1         G  83 -15.638   2.195   0.506
  227   1H2     G  83          1H2         G  83 -16.225   3.515   2.214
  228   2H2     G  83          2H2         G  83 -15.551   5.134   2.358
  229   1H2*    G  83          1H2*        G  83  -9.501   5.777  -0.423
  230   2H2*    G  83          2H2*        G  83 -10.077   6.227   1.187
  231   1H5*    T  84          1H5*        T  84 -11.769   8.201   2.876
  232   2H5*    T  84          2H5*        T  84 -11.034   8.787   4.394
  233    H4*    T  84           H4*        T  84 -12.517   6.977   4.972
  234    H3*    T  84           H3*        T  84  -9.693   6.797   5.508
  235   1H2*    T  84          1H2*        T  84  -9.363   5.026   4.036
  236   2H2*    T  84          2H2*        T  84  -9.879   4.056   5.449
  237    H1*    T  84           H1*        T  84 -12.178   4.114   4.762
  238    H3     T  84           H3         T  84 -12.928   0.761   1.823
  239   1H5M    T  84          1H5M        T  84  -9.248   1.850  -0.742
  240   2H5M    T  84          2H5M        T  84  -8.727   3.398  -0.076
  241   3H5M    T  84          3H5M        T  84  -8.161   1.872   0.659
  242    H6     T  84           H6         T  84  -9.507   4.136   2.092
  243   1H5*    G  85          1H5*        G  85 -13.041   5.098   8.736
  244   2H5*    G  85          2H5*        G  85 -12.151   5.132  10.269
  245    H4*    G  85           H4*        G  85 -13.718   3.280  10.363
  246    H3*    G  85           H3*        G  85 -10.811   2.714  10.181
  247    H1*    G  85           H1*        G  85 -13.732   0.515   8.634
  248    H8     G  85           H8         G  85 -10.929   2.548   6.947
  249    H1     G  85           H1         G  85 -12.334  -3.089   4.133
  250   1H2     G  85          1H2         G  85 -13.751  -4.193   5.492
  251   2H2     G  85          2H2         G  85 -14.366  -3.418   6.955
  252   1H2*    G  85          1H2*        G  85 -10.911   0.692   9.295
  253   2H2*    G  85          2H2*        G  85 -12.295   0.191  10.319
  254   1H5*    C  86          1H5*        C  86 -13.047  -0.216  12.658
  255   2H5*    C  86          2H5*        C  86 -12.215  -0.565  14.182
  256    H4*    C  86           H4*        C  86 -13.012  -2.632  13.125
  257    H3*    C  86           H3*        C  86 -10.150  -2.131  13.630
  258    H1*    C  86           H1*        C  86 -11.904  -4.290  10.818
  259   1H4     C  86          1H4         C  86  -8.976  -2.757   5.381
  260   2H4     C  86          2H4         C  86  -8.396  -1.285   6.089
  261    H5     C  86           H5         C  86  -8.840  -0.555   8.297
  262    H6     C  86           H6         C  86  -9.864  -1.207  10.448
  263   1H2*    C  86          1H2*        C  86  -9.323  -3.241  11.878
  264   2H2*    C  86          2H2*        C  86 -10.255  -4.694  12.305
  265   1H5*    C  87          1H5*        C  87 -11.836  -6.454  14.169
  266   2H5*    C  87          2H5*        C  87 -10.971  -7.389  15.396
  267    H4*    C  87           H4*        C  87 -11.239  -8.709  13.356
  268    H3*    C  87           H3*        C  87  -8.406  -7.799  13.933
  269    H1*    C  87           H1*        C  87 -10.107  -8.571  10.504
  270   1H4     C  87          1H4         C  87  -6.812  -4.197   7.442
  271   2H4     C  87          2H4         C  87  -6.400  -3.382   8.933
  272    H5     C  87           H5         C  87  -6.882  -4.216  11.028
  273    H6     C  87           H6         C  87  -8.109  -5.962  12.315
  274   1H2*    C  87          1H2*        C  87  -7.691  -8.850  11.967
  275   2H2*    C  87          2H2*        C  87  -9.092  -9.954  11.931
  276   1H5*    A  88          1H5*        A  88  -8.317 -11.892  12.836
  277   2H5*    A  88          2H5*        A  88  -7.159 -12.868  13.746
  278    H4*    A  88           H4*        A  88  -6.741 -12.938  11.310
  279    H3*    A  88           H3*        A  88  -4.611 -11.653  13.032
  280    H1*    A  88           H1*        A  88  -5.339 -10.592   9.388
  281    H8     A  88           H8         A  88  -5.528  -9.100  12.950
  282   1H6     A  88          1H6         A  88  -2.131  -4.501  10.333
  283   2H6     A  88          2H6         A  88  -2.995  -4.931  11.815
  284    H2     A  88           H2         A  88  -2.394  -7.698   7.480
  285   1H2*    A  88          1H2*        A  88  -3.288 -11.394  11.027
  286   2H2*    A  88          2H2*        A  88  -4.354 -12.511  10.122
  287   1H5*    A  89          1H5*        A  89  -3.514 -14.622  10.067
  288   2H5*    A  89          2H5*        A  89  -2.177 -15.713  10.447
  289    H4*    A  89           H4*        A  89  -1.945 -14.609   8.228
  290    H3*    A  89           H3*        A  89   0.127 -14.031  10.346
  291    H1*    A  89           H1*        A  89  -0.873 -11.515   7.619
  292    H8     A  89           H8         A  89  -0.744 -11.973  11.456
  293   1H6     A  89          1H6         A  89   1.059  -5.957  11.258
  294   2H6     A  89          2H6         A  89   0.559  -7.226  12.382
  295    H2     A  89           H2         A  89   0.948  -7.440   7.213
  296   1H2*    A  89          1H2*        A  89   1.298 -12.691   8.771
  297   2H2*    A  89          2H2*        A  89   0.379 -13.371   7.397
  298   1H5*    A  90          1H5*        A  90   1.822 -14.780   6.571
  299   2H5*    A  90          2H5*        A  90   3.104 -15.987   6.524
  300    H4*    A  90           H4*        A  90   3.678 -13.857   5.356
  301    H3*    A  90           H3*        A  90   5.343 -15.381   6.971
  302    H1*    A  90           H1*        A  90   5.215 -11.510   7.152
  303    H8     A  90           H8         A  90   3.206 -13.268  10.004
  304   1H6     A  90          1H6         A  90   3.463  -7.626  12.729
  305   2H6     A  90          2H6         A  90   2.857  -9.270  12.950
  306    H2     A  90           H2         A  90   5.625  -7.359   9.024
  307   1H2*    A  90          1H2*        A  90   5.257 -14.016   8.859
  308   2H2*    A  90          2H2*        A  90   6.607 -13.197   8.033
  309   1H5*    A  91          1H5*        A  91   7.710 -11.733   4.568
  310   2H5*    A  91          2H5*        A  91   9.278 -12.448   4.164
  311    H4*    A  91           H4*        A  91   9.665 -10.176   4.854
  312    H3*    A  91           H3*        A  91  10.467 -12.228   6.943
  313    H1*    A  91           H1*        A  91   9.221  -8.597   7.607
  314    H8     A  91           H8         A  91   8.692 -12.283   8.534
  315   1H6     A  91          1H6         A  91   6.267  -9.772  13.785
  316   2H6     A  91          2H6         A  91   6.530 -11.327  12.992
  317    H2     A  91           H2         A  91   7.908  -6.584  11.414
  318    H3T    A  91           H3T        A  91  12.561 -11.580   6.186
  319   1H2*    A  91          1H2*        A  91  11.130 -10.523   8.389
  320   2H2*    A  91          2H2*        A  91  11.317  -9.329   7.062
  321   1H    HIS   1          1H        HIS   1  -8.237  12.895   0.382
  322   2H    HIS   1          2H        HIS   1  -8.153  11.343  -0.139
  323   3H    HIS   1          3H        HIS   1  -8.349  11.654   1.461
  324    HA   HIS   1           HA       HIS   1 -10.411  10.906   0.480
  325   2HB   HIS   1          2HB       HIS   1 -10.564  13.833   1.178
  326    HD1  HIS   1           HD1      HIS   1 -13.122  14.439   1.093
  327    HD2  HIS   1           HD2      HIS   1 -12.298  10.427   2.143
  328    HE1  HIS   1           HE1      HIS   1 -15.371  13.314   1.425
  329    H    MET   2           H        MET   2 -11.945  11.081  -1.110
  330    HA   MET   2           HA       MET   2 -12.836  11.440  -3.133
  331   2HB   MET   2          2HB       MET   2 -13.939  12.903  -1.531
  332   2HG   MET   2          2HG       MET   2 -12.320  15.148  -2.802
  333   1HE   MET   2          1HE       MET   2 -12.454  17.074  -0.271
  334   2HE   MET   2          2HE       MET   2 -12.594  17.631  -1.956
  335   3HE   MET   2          3HE       MET   2 -13.794  18.137  -0.746
  336    H    LEU   3           H        LEU   3  -9.817  12.090  -3.241
  337    HA   LEU   3           HA       LEU   3  -9.146  13.802  -5.249
  338   2HB   LEU   3          2HB       LEU   3  -7.203  12.199  -5.648
  339    HG   LEU   3           HG       LEU   3  -7.809  12.415  -2.688
  340   1HD1  LEU   3          1HD1      LEU   3  -5.550  12.171  -2.364
  341   2HD1  LEU   3          2HD1      LEU   3  -5.794  11.122  -3.768
  342   3HD1  LEU   3          3HD1      LEU   3  -5.119  12.711  -4.015
  343   1HD2  LEU   3          1HD2      LEU   3  -6.737  14.494  -4.635
  344   2HD2  LEU   3          2HD2      LEU   3  -8.133  14.660  -3.539
  345   3HD2  LEU   3          3HD2      LEU   3  -6.513  14.599  -2.872
  346    H    THR   4           H        THR   4  -8.020  13.230  -7.285
  347    HA   THR   4           HA       THR   4 -10.067  12.680  -9.290
  348    HB   THR   4           HB       THR   4  -8.390  13.373 -10.909
  349    HG1  THR   4           HG1      THR   4  -6.329  13.984 -10.071
  350   1HG2  THR   4          1HG2      THR   4  -8.227  15.176  -8.469
  351   2HG2  THR   4          2HG2      THR   4  -7.920  15.622 -10.159
  352   3HG2  THR   4          3HG2      THR   4  -9.552  15.153  -9.654
  353    H    GLN   5           H        GLN   5  -8.790  11.569 -11.390
  354    HA   GLN   5           HA       GLN   5  -8.947   8.800 -11.170
  355   2HB   GLN   5          2HB       GLN   5  -8.954  10.101 -13.243
  356   2HG   GLN   5          2HG       GLN   5  -5.922  10.256 -12.944
  357   1HE2  GLN   5          1HE2      GLN   5  -8.268  12.174 -14.904
  358   2HE2  GLN   5          2HE2      GLN   5  -7.552  11.687 -16.436
  359    HN2  GLY   6           HN2      GLY   6  -6.177  10.791 -10.200
  360   1HA   GLY   6          1HA       GLY   6  -5.143   8.610  -8.664
  361   2HA   GLY   6          2HA       GLY   6  -4.182   8.844 -10.131
  362    H    GLU   7           H        GLU   7  -5.625  11.484  -7.937
  363    HA   GLU   7           HA       GLU   7  -3.227  12.942  -8.124
  364   2HB   GLU   7          2HB       GLU   7  -4.735  13.770  -5.853
  365   2HG   GLU   7          2HG       GLU   7  -4.667  14.732  -8.736
  366    H    LEU   8           H        LEU   8  -3.935  10.296  -6.176
  367    HA   LEU   8           HA       LEU   8  -1.452  10.808  -4.555
  368   2HB   LEU   8          2HB       LEU   8  -3.514  10.505  -3.261
  369    HG   LEU   8           HG       LEU   8  -4.136   8.340  -4.899
  370   1HD1  LEU   8          1HD1      LEU   8  -3.081   7.230  -2.257
  371   2HD1  LEU   8          2HD1      LEU   8  -3.941   6.316  -3.502
  372   3HD1  LEU   8          3HD1      LEU   8  -2.330   6.964  -3.844
  373   1HD2  LEU   8          1HD2      LEU   8  -5.982   8.987  -3.804
  374   2HD2  LEU   8          2HD2      LEU   8  -5.594   7.685  -2.693
  375   3HD2  LEU   8          3HD2      LEU   8  -5.127   9.349  -2.292
  376    H    MET   9           H        MET   9  -2.591   9.012  -7.199
  377    HA   MET   9           HA       MET   9  -0.976   6.578  -6.847
  378   2HB   MET   9          2HB       MET   9  -2.859   7.689  -8.903
  379   2HG   MET   9          2HG       MET   9  -0.674   5.777  -9.621
  380   1HE   MET   9          1HE       MET   9  -1.109   5.823 -12.739
  381   2HE   MET   9          2HE       MET   9  -0.620   4.375 -11.836
  382   3HE   MET   9          3HE       MET   9  -1.969   4.287 -12.988
  383    H    LYS  10           H        LYS  10  -0.927   9.227  -9.136
  384    HA   LYS  10           HA       LYS  10   1.776   8.551 -10.052
  385   2HB   LYS  10          2HB       LYS  10   0.068   9.210 -11.602
  386   2HG   LYS  10          2HG       LYS  10   0.093  12.108 -11.010
  387   2HD   LYS  10          2HD       LYS  10  -2.284  10.237 -11.404
  388   2HE   LYS  10          2HE       LYS  10  -2.747  12.526 -10.535
  389   1HZ   LYS  10          1HZ       LYS  10  -1.067  13.771 -11.794
  390   2HZ   LYS  10          2HZ       LYS  10  -1.777  13.375 -13.216
  391   3HZ   LYS  10          3HZ       LYS  10  -2.555  14.337 -12.153
  392    H    LEU  11           H        LEU  11   1.417   9.488  -7.291
  393    HA   LEU  11           HA       LEU  11   3.436  11.669  -7.075
  394   2HB   LEU  11          2HB       LEU  11   2.157  12.443  -5.050
  395    HG   LEU  11           HG       LEU  11   0.423  13.714  -6.029
  396   1HD1  LEU  11          1HD1      LEU  11   2.652  13.450  -8.072
  397   2HD1  LEU  11          2HD1      LEU  11   1.599  14.859  -7.828
  398   3HD1  LEU  11          3HD1      LEU  11   2.753  14.386  -6.561
  399   1HD2  LEU  11          1HD2      LEU  11   0.709  12.429  -8.716
  400   2HD2  LEU  11          2HD2      LEU  11  -0.345  11.661  -7.517
  401   3HD2  LEU  11          3HD2      LEU  11  -0.654  13.334  -8.051
  402    H    ILE  12           H        ILE  12   1.988   8.670  -5.624
  403    HA   ILE  12           HA       ILE  12   3.657   8.829  -3.247
  404    HB   ILE  12           HB       ILE  12   3.361   6.332  -3.160
  405   2HG1  ILE  12          2HG1      ILE  12   2.602   6.495  -5.846
  406   1HG2  ILE  12          1HG2      ILE  12   2.027   7.681  -1.785
  407   2HG2  ILE  12          2HG2      ILE  12   0.994   8.199  -3.115
  408   3HG2  ILE  12          3HG2      ILE  12   0.929   6.515  -2.567
  409   1HD1  ILE  12          1HD1      ILE  12   1.736   4.314  -3.929
  410   2HD1  ILE  12          2HD1      ILE  12   2.120   4.152  -5.654
  411   3HD1  ILE  12          3HD1      ILE  12   3.415   4.485  -4.511
  412    H    LYS  13           H        LYS  13   4.229   7.700  -6.489
  413    HA   LYS  13           HA       LYS  13   6.905   6.551  -5.709
  414   2HB   LYS  13          2HB       LYS  13   5.655   5.075  -7.000
  415   2HG   LYS  13          2HG       LYS  13   4.049   6.595  -8.135
  416   2HD   LYS  13          2HD       LYS  13   5.421   8.309  -9.189
  417   2HE   LYS  13          2HE       LYS  13   6.614   6.018 -10.815
  418   1HZ   LYS  13          1HZ       LYS  13   6.243   8.010 -12.154
  419   2HZ   LYS  13          2HZ       LYS  13   7.842   7.816 -11.895
  420   3HZ   LYS  13          3HZ       LYS  13   7.016   8.959 -11.069
  421    H    GLU  14           H        GLU  14   5.786   9.446  -6.542
  422    HA   GLU  14           HA       GLU  14   8.011  10.334  -8.304
  423   2HB   GLU  14          2HB       GLU  14   5.644  11.993  -7.391
  424   2HG   GLU  14          2HG       GLU  14   7.353  13.216  -8.678
  425    H    ILE  15           H        ILE  15   7.043  10.376  -4.965
  426    HA   ILE  15           HA       ILE  15   9.232  12.288  -4.337
  427    HB   ILE  15           HB       ILE  15   8.302  12.590  -2.187
  428   2HG1  ILE  15          2HG1      ILE  15   6.604  10.230  -2.836
  429   1HG2  ILE  15          1HG2      ILE  15   6.300  13.829  -2.721
  430   2HG2  ILE  15          2HG2      ILE  15   7.475  14.002  -4.039
  431   3HG2  ILE  15          3HG2      ILE  15   6.077  12.927  -4.230
  432   1HD1  ILE  15          1HD1      ILE  15   8.262  10.324  -0.963
  433   2HD1  ILE  15          2HD1      ILE  15   7.304  11.615  -0.210
  434   3HD1  ILE  15          3HD1      ILE  15   6.605   9.994  -0.402
  435    H    VAL  16           H        VAL  16   7.859   9.003  -3.470
  436    HA   VAL  16           HA       VAL  16  10.026   8.483  -1.740
  437    HB   VAL  16           HB       VAL  16   8.268   6.444  -3.175
  438   1HG1  VAL  16          1HG1      VAL  16   8.972   5.005  -1.169
  439   2HG1  VAL  16          2HG1      VAL  16  10.228   5.303  -2.374
  440   3HG1  VAL  16          3HG1      VAL  16  10.234   6.232  -0.863
  441   1HG2  VAL  16          1HG2      VAL  16   7.043   6.342  -1.057
  442   2HG2  VAL  16          2HG2      VAL  16   8.086   7.590  -0.347
  443   3HG2  VAL  16          3HG2      VAL  16   6.996   7.996  -1.665
  444    H    GLU  17           H        GLU  17   9.759   8.003  -5.250
  445    HA   GLU  17           HA       GLU  17  12.317   6.452  -5.273
  446   2HB   GLU  17          2HB       GLU  17  12.181   6.417  -7.686
  447   2HG   GLU  17          2HG       GLU  17   9.454   5.681  -6.553
  448    H    ASN  18           H        ASN  18  11.658   9.637  -4.755
  449    HA   ASN  18           HA       ASN  18  14.005  10.664  -6.204
  450   2HB   ASN  18          2HB       ASN  18  11.885  12.386  -4.905
  451   1HD2  ASN  18          1HD2      ASN  18  13.045  11.628  -8.182
  452   2HD2  ASN  18          2HD2      ASN  18  13.721  13.224  -8.495
  453    H    GLU  19           H        GLU  19  12.974   9.770  -3.021
  454    HA   GLU  19           HA       GLU  19  14.648  11.834  -1.718
  455   2HB   GLU  19          2HB       GLU  19  13.427  10.931   0.352
  456   2HG   GLU  19          2HG       GLU  19  11.178  11.881  -0.308
  457    H    ASP  20           H        ASP  20  14.073   8.636  -0.355
  458    HA   ASP  20           HA       ASP  20  17.000   8.186  -0.360
  459   2HB   ASP  20          2HB       ASP  20  16.684   7.480   2.116
  460    H    LYS  21           H        LYS  21  16.812   6.674  -1.799
  461    HA   LYS  21           HA       LYS  21  15.410   4.198  -1.741
  462   2HB   LYS  21          2HB       LYS  21  17.342   3.319  -3.054
  463   2HG   LYS  21          2HG       LYS  21  17.473   4.986  -4.871
  464   2HD   LYS  21          2HD       LYS  21  14.632   4.658  -3.806
  465   2HE   LYS  21          2HE       LYS  21  14.849   6.302  -5.663
  466   1HZ   LYS  21          1HZ       LYS  21  15.396   5.420  -7.853
  467   2HZ   LYS  21          2HZ       LYS  21  16.699   5.288  -6.879
  468   3HZ   LYS  21          3HZ       LYS  21  15.801   3.966  -7.232
  469    H    ARG  22           H        ARG  22  18.203   5.154   0.170
  470    HA   ARG  22           HA       ARG  22  18.534   2.496   1.393
  471   2HB   ARG  22          2HB       ARG  22  20.472   3.848   0.664
  472   2HG   ARG  22          2HG       ARG  22  21.350   5.585   2.175
  473   2HD   ARG  22          2HD       ARG  22  20.128   7.547   1.633
  474    HE   ARG  22           HE       ARG  22  20.676   5.672  -0.489
  475   1HH1  ARG  22          1HH1      ARG  22  19.214   8.839   0.051
  476   2HH1  ARG  22          2HH1      ARG  22  19.483   9.304  -1.612
  477   1HH2  ARG  22          1HH2      ARG  22  20.965   6.351  -2.559
  478   2HH2  ARG  22          2HH2      ARG  22  20.456   7.952  -3.031
  479    H    LYS  23           H        LYS  23  16.548   5.091   2.056
  480    HA   LYS  23           HA       LYS  23  15.795   3.982   4.700
  481   2HB   LYS  23          2HB       LYS  23  15.637   6.249   5.731
  482   2HG   LYS  23          2HG       LYS  23  18.502   5.526   5.004
  483   2HD   LYS  23          2HD       LYS  23  18.987   6.451   7.259
  484   2HE   LYS  23          2HE       LYS  23  17.673   8.460   5.373
  485   1HZ   LYS  23          1HZ       LYS  23  19.273   9.976   6.367
  486   2HZ   LYS  23          2HZ       LYS  23  18.290   9.393   7.529
  487   3HZ   LYS  23          3HZ       LYS  23  19.817   8.827   7.391
  488    HA   PRO  24           HA       PRO  24  12.434   5.155   1.733
  489   2HB   PRO  24          2HB       PRO  24  12.446   2.975   0.914
  490   2HG   PRO  24          2HG       PRO  24  12.816   1.101   2.363
  491   2HD   PRO  24          2HD       PRO  24  14.688   2.449   2.565
  492    H    TYR  25           H        TYR  25  10.127   5.485   1.996
  493    HA   TYR  25           HA       TYR  25   9.175   6.007   4.749
  494   2HB   TYR  25          2HB       TYR  25   7.202   6.934   3.645
  495    HD1  TYR  25           HD2      TYR  25   9.847   7.439   1.053
  496    HD2  TYR  25           HD1      TYR  25   7.883   9.002   4.552
  497    HE1  TYR  25           HE2      TYR  25  10.945   9.626   0.674
  498    HE2  TYR  25           HE1      TYR  25   9.059  11.171   4.245
  499    HH   TYR  25           HH       TYR  25  10.504  12.350   2.990
  500    H    SER  26           H        SER  26   6.581   5.363   4.740
  501    HA   SER  26           HA       SER  26   6.155   2.553   3.931
  502   2HB   SER  26          2HB       SER  26   6.955   2.393   6.230
  503    HG   SER  26           HG       SER  26   5.887   3.386   7.894
  504    H    ASP  27           H        ASP  27   3.758   2.017   4.185
  505    HA   ASP  27           HA       ASP  27   2.131   3.898   2.954
  506   2HB   ASP  27          2HB       ASP  27   1.621   1.600   2.881
  507    H    GLN  28           H        GLN  28   2.599   3.658   6.511
  508    HA   GLN  28           HA       GLN  28   0.593   5.674   7.110
  509   2HB   GLN  28          2HB       GLN  28   3.002   4.579   8.601
  510   2HG   GLN  28          2HG       GLN  28   2.687   6.836   9.431
  511   1HE2  GLN  28          1HE2      GLN  28   1.008   8.194   8.338
  512   2HE2  GLN  28          2HE2      GLN  28  -0.595   8.280   9.061
  513    H    GLU  29           H        GLU  29   4.209   5.824   6.675
  514    HA   GLU  29           HA       GLU  29   4.318   8.610   7.198
  515   2HB   GLU  29          2HB       GLU  29   6.583   8.371   6.156
  516   2HG   GLU  29          2HG       GLU  29   7.518   6.696   7.749
  517    H    ILE  30           H        ILE  30   4.204   6.938   4.000
  518    HA   ILE  30           HA       ILE  30   4.151   9.413   2.522
  519    HB   ILE  30           HB       ILE  30   3.434   8.235   0.617
  520   2HG1  ILE  30          2HG1      ILE  30   1.722   6.796   1.355
  521   1HG2  ILE  30          1HG2      ILE  30   5.315   6.806   0.350
  522   2HG2  ILE  30          2HG2      ILE  30   5.805   8.082   1.464
  523   3HG2  ILE  30          3HG2      ILE  30   5.399   6.460   2.084
  524   1HD1  ILE  30          1HD1      ILE  30   3.942   4.859   0.591
  525   2HD1  ILE  30          2HD1      ILE  30   2.203   4.638   0.378
  526   3HD1  ILE  30          3HD1      ILE  30   3.052   5.862  -0.578
  527    H    ALA  31           H        ALA  31   1.529   7.622   4.126
  528    HA   ALA  31           HA       ALA  31  -0.607   9.165   2.869
  529   1HB   ALA  31          1HB       ALA  31  -0.427   7.651   5.518
  530   2HB   ALA  31          2HB       ALA  31  -1.913   8.420   4.923
  531   3HB   ALA  31          3HB       ALA  31  -1.174   7.103   4.010
  532    H    ASN  32           H        ASN  32   1.487   9.685   5.649
  533    HA   ASN  32           HA       ASN  32   0.056  11.915   6.769
  534   2HB   ASN  32          2HB       ASN  32   2.951  11.047   7.109
  535   1HD2  ASN  32          1HD2      ASN  32   4.011  12.826   8.017
  536   2HD2  ASN  32          2HD2      ASN  32   3.297  13.822   9.281
  537    H    ILE  33           H        ILE  33   3.088  11.861   4.824
  538    HA   ILE  33           HA       ILE  33   3.339  14.728   4.731
  539    HB   ILE  33           HB       ILE  33   4.295  12.836   2.581
  540   2HG1  ILE  33          2HG1      ILE  33   5.041  12.698   5.359
  541   1HG2  ILE  33          1HG2      ILE  33   5.355  15.528   3.495
  542   2HG2  ILE  33          2HG2      ILE  33   6.149  14.455   2.309
  543   3HG2  ILE  33          3HG2      ILE  33   4.562  15.132   1.957
  544   1HD1  ILE  33          1HD1      ILE  33   5.071  11.020   3.451
  545   2HD1  ILE  33          2HD1      ILE  33   6.635  11.698   2.983
  546   3HD1  ILE  33          3HD1      ILE  33   6.423  10.946   4.599
  547    H    LEU  34           H        LEU  34   1.521  12.503   2.705
  548    HA   LEU  34           HA       LEU  34   0.823  14.318   0.565
  549   2HB   LEU  34          2HB       LEU  34  -1.165  12.525   0.544
  550    HG   LEU  34           HG       LEU  34   0.248  12.381  -1.292
  551   1HD1  LEU  34          1HD1      LEU  34   2.372  13.136  -0.456
  552   2HD1  LEU  34          2HD1      LEU  34   2.576  11.673   0.528
  553   3HD1  LEU  34          3HD1      LEU  34   2.604  11.576  -1.250
  554   1HD2  LEU  34          1HD2      LEU  34   0.682   9.805   0.271
  555   2HD2  LEU  34          2HD2      LEU  34  -0.743  10.223  -0.687
  556   3HD2  LEU  34          3HD2      LEU  34   0.820  10.005  -1.488
  557    H    LYS  35           H        LYS  35  -0.226  14.105   3.818
  558    HA   LYS  35           HA       LYS  35  -2.749  15.606   3.309
  559   2HB   LYS  35          2HB       LYS  35  -2.080  13.800   5.238
  560   2HG   LYS  35          2HG       LYS  35  -2.191  16.427   6.758
  561   2HD   LYS  35          2HD       LYS  35  -1.183  13.663   7.532
  562   2HE   LYS  35          2HE       LYS  35  -1.804  16.125   9.229
  563   1HZ   LYS  35          1HZ       LYS  35  -1.954  13.930  10.351
  564   2HZ   LYS  35          2HZ       LYS  35  -0.396  13.610   9.927
  565   3HZ   LYS  35          3HZ       LYS  35  -0.733  14.836  10.952
  566    H    GLU  36           H        GLU  36   0.524  16.406   3.622
  567    HA   GLU  36           HA       GLU  36   0.025  19.057   4.868
  568   2HB   GLU  36          2HB       GLU  36   2.432  19.304   4.851
  569   2HG   GLU  36          2HG       GLU  36   1.845  16.465   5.772
  570    H    LYS  37           H        LYS  37   0.055  17.711   1.715
  571    HA   LYS  37           HA       LYS  37   0.561  20.427   0.530
  572   2HB   LYS  37          2HB       LYS  37   2.500  19.066   0.256
  573   2HG   LYS  37          2HG       LYS  37   0.725  17.151  -1.281
  574   2HD   LYS  37          2HD       LYS  37   3.207  17.557  -2.019
  575   2HE   LYS  37          2HE       LYS  37   3.699  15.733   0.348
  576   1HZ   LYS  37          1HZ       LYS  37   5.993  16.445  -0.032
  577   2HZ   LYS  37          2HZ       LYS  37   5.542  17.443  -1.237
  578   3HZ   LYS  37          3HZ       LYS  37   5.384  15.827  -1.418
  579    HN2  GLY  38           HN2      GLY  38  -1.591  17.564   0.275
  580   1HA   GLY  38          1HA       GLY  38  -3.668  19.299   0.208
  581   2HA   GLY  38          2HA       GLY  38  -3.315  19.183  -1.514
  582    H    PHE  39           H        PHE  39  -2.645  16.126  -0.125
  583    HA   PHE  39           HA       PHE  39  -4.928  15.200  -1.654
  584   2HB   PHE  39          2HB       PHE  39  -3.730  13.079  -1.681
  585    HD1  PHE  39           HD2      PHE  39  -3.876  14.513  -3.883
  586    HD2  PHE  39           HD1      PHE  39  -0.560  14.645  -1.091
  587    HE1  PHE  39           HE2      PHE  39  -2.482  15.529  -5.610
  588    HE2  PHE  39           HE1      PHE  39   0.845  15.647  -2.870
  589    HZ   PHE  39           HZ       PHE  39  -0.099  16.139  -5.115
  590    H    LYS  40           H        LYS  40  -3.911  15.305   1.579
  591    HA   LYS  40           HA       LYS  40  -4.271  13.931   3.462
  592   2HB   LYS  40          2HB       LYS  40  -5.333  15.975   3.926
  593   2HG   LYS  40          2HG       LYS  40  -7.432  15.067   1.991
  594   2HD   LYS  40          2HD       LYS  40  -8.960  16.858   2.970
  595   2HE   LYS  40          2HE       LYS  40  -8.420  14.316   4.563
  596   1HZ   LYS  40          1HZ       LYS  40  -9.787  15.878   5.848
  597   2HZ   LYS  40          2HZ       LYS  40 -10.827  16.063   4.603
  598   3HZ   LYS  40          3HZ       LYS  40 -10.697  14.617   5.353
  599    H    VAL  41           H        VAL  41  -4.166  12.200   1.744
  600    HA   VAL  41           HA       VAL  41  -6.486  10.309   1.863
  601    HB   VAL  41           HB       VAL  41  -5.543  10.367  -0.305
  602   1HG1  VAL  41          1HG1      VAL  41  -2.837   9.798   0.988
  603   2HG1  VAL  41          2HG1      VAL  41  -3.169   9.814  -0.749
  604   3HG1  VAL  41          3HG1      VAL  41  -3.325  11.299   0.168
  605   1HG2  VAL  41          1HG2      VAL  41  -6.119   8.113   0.208
  606   2HG2  VAL  41          2HG2      VAL  41  -4.534   8.005  -0.548
  607   3HG2  VAL  41          3HG2      VAL  41  -4.652   7.853   1.181
  608    H    ALA  42           H        ALA  42  -6.463   8.481   3.008
  609    HA   ALA  42           HA       ALA  42  -4.852   8.283   5.430
  610   1HB   ALA  42          1HB       ALA  42  -7.325   8.067   5.456
  611   2HB   ALA  42          2HB       ALA  42  -7.204   6.644   4.397
  612   3HB   ALA  42          3HB       ALA  42  -6.528   6.596   6.038
  613    H    ARG  43           H        ARG  43  -4.040   6.237   6.067
  614    HA   ARG  43           HA       ARG  43  -2.162   5.027   4.297
  615   2HB   ARG  43          2HB       ARG  43  -3.184   4.173   7.035
  616   2HG   ARG  43          2HG       ARG  43  -0.664   3.276   7.037
  617   2HD   ARG  43          2HD       ARG  43  -1.358   1.001   6.292
  618    HE   ARG  43           HE       ARG  43  -2.555   2.401   8.520
  619   1HH1  ARG  43          1HH1      ARG  43  -2.695  -0.665   6.848
  620   2HH1  ARG  43          2HH1      ARG  43  -3.202  -1.529   8.277
  621   1HH2  ARG  43          1HH2      ARG  43  -3.213   1.257  10.296
  622   2HH2  ARG  43          2HH2      ARG  43  -3.483  -0.460  10.168
  623    H    ARG  44           H        ARG  44  -5.467   4.251   4.733
  624    HA   ARG  44           HA       ARG  44  -5.370   1.367   4.202
  625   2HB   ARG  44          2HB       ARG  44  -7.912   1.990   3.740
  626   2HG   ARG  44          2HG       ARG  44  -7.126   0.747   5.743
  627   2HD   ARG  44          2HD       ARG  44  -6.938   3.486   7.084
  628    HE   ARG  44           HE       ARG  44  -6.294   0.834   8.320
  629   1HH1  ARG  44          1HH1      ARG  44  -8.321   3.760   8.595
  630   2HH1  ARG  44          2HH1      ARG  44  -8.789   3.252  10.203
  631   1HH2  ARG  44          1HH2      ARG  44  -7.061   0.370  10.341
  632   2HH2  ARG  44          2HH2      ARG  44  -8.218   1.469  11.077
  633    H    THR  45           H        THR  45  -5.776   4.321   2.286
  634    HA   THR  45           HA       THR  45  -6.436   3.018  -0.183
  635    HB   THR  45           HB       THR  45  -5.595   5.879   0.409
  636    HG1  THR  45           HG1      THR  45  -7.447   6.345   1.308
  637   1HG2  THR  45          1HG2      THR  45  -7.600   4.733  -1.561
  638   2HG2  THR  45          2HG2      THR  45  -7.126   6.436  -1.401
  639   3HG2  THR  45          3HG2      THR  45  -5.945   5.250  -1.950
  640    H    VAL  46           H        VAL  46  -3.793   4.903   1.253
  641    HA   VAL  46           HA       VAL  46  -2.331   5.024  -1.095
  642    HB   VAL  46           HB       VAL  46  -2.262   6.351   1.224
  643   1HG1  VAL  46          1HG1      VAL  46   0.205   4.595   1.469
  644   2HG1  VAL  46          2HG1      VAL  46  -0.222   5.998   2.436
  645   3HG1  VAL  46          3HG1      VAL  46  -1.227   4.534   2.506
  646   1HG2  VAL  46          1HG2      VAL  46  -1.227   7.050  -0.945
  647   2HG2  VAL  46          2HG2      VAL  46  -0.273   7.483   0.472
  648   3HG2  VAL  46          3HG2      VAL  46   0.203   6.078  -0.516
  649    H    ALA  47           H        ALA  47  -2.477   2.599   1.398
  650    HA   ALA  47           HA       ALA  47  -0.081   1.151   0.860
  651   1HB   ALA  47          1HB       ALA  47  -2.737   0.342   2.148
  652   2HB   ALA  47          2HB       ALA  47  -1.238  -0.620   2.204
  653   3HB   ALA  47          3HB       ALA  47  -1.311   0.960   2.996
  654    H    LYS  48           H        LYS  48  -3.434   0.957  -0.246
  655    HA   LYS  48           HA       LYS  48  -3.129  -1.458  -1.848
  656   2HB   LYS  48          2HB       LYS  48  -5.412  -0.709  -2.708
  657   2HG   LYS  48          2HG       LYS  48  -5.049  -0.789   0.321
  658   2HD   LYS  48          2HD       LYS  48  -7.476  -1.740  -1.243
  659   2HE   LYS  48          2HE       LYS  48  -8.636  -1.370   0.909
  660   1HZ   LYS  48          1HZ       LYS  48  -7.528  -3.541   0.682
  661   2HZ   LYS  48          2HZ       LYS  48  -7.530  -3.051   2.239
  662   3HZ   LYS  48          3HZ       LYS  48  -6.158  -2.945   1.356
  663    H    TYR  49           H        TYR  49  -2.435   1.868  -2.375
  664    HA   TYR  49           HA       TYR  49  -2.486   1.692  -5.305
  665   2HB   TYR  49          2HB       TYR  49  -1.375   4.075  -4.896
  666    HD1  TYR  49           HD1      TYR  49  -4.594   2.370  -3.909
  667    HD2  TYR  49           HD2      TYR  49  -2.685   5.612  -5.987
  668    HE1  TYR  49           HE1      TYR  49  -6.743   2.891  -5.043
  669    HE2  TYR  49           HE2      TYR  49  -4.865   6.143  -7.141
  670    HH   TYR  49           HH       TYR  49  -7.783   4.701  -6.146
  671    H    ARG  50           H        ARG  50   0.162   2.076  -2.877
  672    HA   ARG  50           HA       ARG  50   2.235   1.900  -4.893
  673   2HB   ARG  50          2HB       ARG  50   2.712   2.692  -2.655
  674   2HG   ARG  50          2HG       ARG  50   1.414   0.455  -1.624
  675   2HD   ARG  50          2HD       ARG  50   3.261  -0.374  -0.069
  676    HE   ARG  50           HE       ARG  50   3.989  -1.629  -2.609
  677   1HH1  ARG  50          1HH1      ARG  50   1.238  -1.329  -0.514
  678   2HH1  ARG  50          2HH1      ARG  50   0.811  -2.995  -0.631
  679   1HH2  ARG  50          1HH2      ARG  50   3.474  -3.760  -2.688
  680   2HH2  ARG  50          2HH2      ARG  50   2.063  -4.364  -1.828
  681    H    GLU  51           H        GLU  51   0.106  -0.483  -3.738
  682    HA   GLU  51           HA       GLU  51   1.616  -2.821  -4.690
  683   2HB   GLU  51          2HB       GLU  51  -1.382  -2.637  -4.167
  684   2HG   GLU  51          2HG       GLU  51  -0.937  -4.951  -3.196
  685    H    MET  52           H        MET  52  -0.879  -0.676  -6.042
  686    HA   MET  52           HA       MET  52  -1.275  -2.430  -8.380
  687   2HB   MET  52          2HB       MET  52  -3.132  -1.137  -7.142
  688   2HG   MET  52          2HG       MET  52  -2.367   1.020  -9.152
  689   1HE   MET  52          1HE       MET  52  -4.694   1.188 -10.280
  690   2HE   MET  52          2HE       MET  52  -5.248  -0.262  -9.408
  691   3HE   MET  52          3HE       MET  52  -6.241   1.213  -9.407
  692    H    LEU  53           H        LEU  53   0.386   0.585  -7.669
  693    HA   LEU  53           HA       LEU  53   1.045   1.291 -10.404
  694   2HB   LEU  53          2HB       LEU  53   2.950   2.504  -9.109
  695    HG   LEU  53           HG       LEU  53   0.494   3.368  -9.902
  696   1HD1  LEU  53          1HD1      LEU  53  -0.432   4.714  -7.917
  697   2HD1  LEU  53          2HD1      LEU  53  -0.778   2.981  -7.936
  698   3HD1  LEU  53          3HD1      LEU  53   0.474   3.639  -6.879
  699   1HD2  LEU  53          1HD2      LEU  53   1.327   5.596  -9.413
  700   2HD2  LEU  53          2HD2      LEU  53   2.402   4.947  -8.158
  701   3HD2  LEU  53          3HD2      LEU  53   2.664   4.575  -9.882
  702    HN2  GLY  54           HN2      GLY  54   3.292   0.093  -7.890
  703   1HA   GLY  54          1HA       GLY  54   4.023  -2.312  -9.181
  704   2HA   GLY  54          2HA       GLY  54   5.080  -1.078  -9.854
  705    H    ILE  55           H        ILE  55   4.479  -0.457  -6.510
  706    HA   ILE  55           HA       ILE  55   7.282  -1.143  -5.930
  707    HB   ILE  55           HB       ILE  55   5.192   0.529  -4.572
  708   2HG1  ILE  55          2HG1      ILE  55   6.812   1.218  -6.544
  709   1HG2  ILE  55          1HG2      ILE  55   7.885  -0.311  -3.412
  710   2HG2  ILE  55          2HG2      ILE  55   6.892   1.034  -2.791
  711   3HG2  ILE  55          3HG2      ILE  55   6.282  -0.610  -2.695
  712   1HD1  ILE  55          1HD1      ILE  55   7.079   3.494  -5.683
  713   2HD1  ILE  55          2HD1      ILE  55   5.456   2.882  -5.297
  714   3HD1  ILE  55          3HD1      ILE  55   6.711   2.956  -4.037
  715    HA   PRO  56           HA       PRO  56   5.870  -4.948  -3.971
  716   2HB   PRO  56          2HB       PRO  56   7.796  -5.929  -4.709
  717   2HG   PRO  56          2HG       PRO  56   9.789  -4.711  -4.959
  718   2HD   PRO  56          2HD       PRO  56   8.361  -3.129  -5.963
  719    H    SER  57           H        SER  57   8.252  -3.063  -2.125
  720    HA   SER  57           HA       SER  57   6.241  -2.040  -0.348
  721   2HB   SER  57          2HB       SER  57   6.665  -4.258   0.734
  722    HG   SER  57           HG       SER  57   8.590  -4.636   1.698
  723    H    SER  58           H        SER  58   9.312  -1.970  -1.612
  724    HA   SER  58           HA       SER  58  11.154  -0.677  -1.614
  725   2HB   SER  58          2HB       SER  58  11.221   1.590  -0.726
  726    HG   SER  58           HG       SER  58   8.800   0.992  -2.076
  727    H    ARG  59           H        ARG  59   9.887  -1.774   1.392
  728    HA   ARG  59           HA       ARG  59  12.260  -1.289   3.066
  729   2HB   ARG  59          2HB       ARG  59   9.739  -2.989   3.251
  730   2HG   ARG  59          2HG       ARG  59  11.924  -2.834   5.368
  731   2HD   ARG  59          2HD       ARG  59   9.143  -4.087   5.256
  732    HE   ARG  59           HE       ARG  59  11.347  -5.010   6.832
  733   1HH1  ARG  59          1HH1      ARG  59   7.952  -4.206   7.274
  734   2HH1  ARG  59          2HH1      ARG  59   7.760  -5.336   8.583
  735   1HH2  ARG  59          1HH2      ARG  59  11.034  -6.437   8.489
  736   2HH2  ARG  59          2HH2      ARG  59   9.432  -6.663   9.156
  737    H    GLU  60           H        GLU  60  10.853  -3.814   1.059
  738    HA   GLU  60           HA       GLU  60  12.977  -5.675   1.584
  739   2HB   GLU  60          2HB       GLU  60  10.663  -6.347   1.112
  740   2HG   GLU  60          2HG       GLU  60  10.557  -4.781  -1.092
  741    H    ARG  61           H        ARG  61  12.543  -3.194  -0.744
  742    HA   ARG  61           HA       ARG  61  14.714  -3.935  -2.573
  743   2HB   ARG  61          2HB       ARG  61  14.495  -1.591  -3.364
  744   2HG   ARG  61          2HG       ARG  61  11.779  -2.925  -3.023
  745   2HD   ARG  61          2HD       ARG  61  11.653  -0.601  -3.882
  746    HE   ARG  61           HE       ARG  61  13.431  -0.026  -5.267
  747   1HH1  ARG  61          1HH1      ARG  61  12.100  -2.996  -6.563
  748   2HH1  ARG  61          2HH1      ARG  61  13.049  -2.871  -8.025
  749   1HH2  ARG  61          1HH2      ARG  61  14.601   0.059  -7.122
  750   2HH2  ARG  61          2HH2      ARG  61  14.422  -1.190  -8.324
  751    H    ARG  62           H        ARG  62  14.391  -1.792   0.291
  752    HA   ARG  62           HA       ARG  62  17.044  -0.702   0.151
  753   2HB   ARG  62          2HB       ARG  62  14.800  -0.795   2.199
  754   2HG   ARG  62          2HG       ARG  62  16.485   1.493   2.537
  755   2HD   ARG  62          2HD       ARG  62  16.017  -0.934   4.286
  756    HE   ARG  62           HE       ARG  62  17.447   1.545   4.806
  757   1HH1  ARG  62          1HH1      ARG  62  15.229  -0.586   6.481
  758   2HH1  ARG  62          2HH1      ARG  62  15.779  -0.052   8.054
  759   1HH2  ARG  62          1HH2      ARG  62  18.115   2.142   6.788
  760   2HH2  ARG  62          2HH2      ARG  62  17.375   1.459   8.217
  761    H    ILE  63           H        ILE  63  15.575  -2.964   2.438
  762    HA   ILE  63           HA       ILE  63  17.748  -3.198   4.151
  763    HB   ILE  63           HB       ILE  63  15.330  -3.832   4.549
  764   2HG1  ILE  63          2HG1      ILE  63  17.470  -5.722   5.616
  765   1HG2  ILE  63          1HG2      ILE  63  16.155  -6.590   3.556
  766   2HG2  ILE  63          2HG2      ILE  63  14.568  -6.075   4.161
  767   3HG2  ILE  63          3HG2      ILE  63  15.170  -5.454   2.618
  768   1HD1  ILE  63          1HD1      ILE  63  17.237  -4.318   7.664
  769   2HD1  ILE  63          2HD1      ILE  63  17.880  -3.378   6.310
  770   3HD1  ILE  63          3HD1      ILE  63  16.170  -3.210   6.782
  Start of MODEL   14
    1   1H5*    T  64          1H5*        T  64   9.891  -3.941  19.235
    2   2H5*    T  64          2H5*        T  64   9.507  -2.278  18.782
    3    H4*    T  64           H4*        T  64  10.783  -3.297  17.039
    4    H3*    T  64           H3*        T  64   7.908  -2.876  16.230
    5   1H2*    T  64          1H2*        T  64   8.439  -3.694  14.120
    6   2H2*    T  64          2H2*        T  64  10.197  -3.443  14.353
    7    H1*    T  64           H1*        T  64  10.224  -5.642  14.864
    8    H3     T  64           H3         T  64   6.912  -8.198  13.288
    9   1H5M    T  64          1H5M        T  64   4.110  -6.932  16.866
   10   2H5M    T  64          2H5M        T  64   5.353  -7.430  18.037
   11   3H5M    T  64          3H5M        T  64   5.065  -5.703  17.716
   12    H6     T  64           H6         T  64   7.336  -5.197  17.027
   13    H5T    T  64           H5T        T  64   7.698  -3.374  19.710
   14   1H5*    T  65          1H5*        T  65  10.418  -1.546  13.121
   15   2H5*    T  65          2H5*        T  65   9.939  -0.020  12.365
   16    H4*    T  65           H4*        T  65  10.044  -1.949  10.733
   17    H3*    T  65           H3*        T  65   7.527  -0.430  11.256
   18   1H2*    T  65          1H2*        T  65   6.154  -1.932  10.393
   19   2H2*    T  65          2H2*        T  65   7.244  -2.331   9.034
   20    H1*    T  65           H1*        T  65   8.141  -4.076  10.085
   21    H3     T  65           H3         T  65   4.578  -6.696  11.048
   22   1H5M    T  65          1H5M        T  65   3.943  -2.976  14.545
   23   2H5M    T  65          2H5M        T  65   3.994  -4.618  15.218
   24   3H5M    T  65          3H5M        T  65   5.426  -3.577  15.321
   25    H6     T  65           H6         T  65   6.497  -2.829  13.196
   26   1H5*    T  66          1H5*        T  66   8.554  -1.380   6.946
   27   2H5*    T  66          2H5*        T  66   8.141  -0.077   5.828
   28    H4*    T  66           H4*        T  66   7.467  -2.253   4.913
   29    H3*    T  66           H3*        T  66   5.764  -0.018   5.047
   30   1H2*    T  66          1H2*        T  66   4.401  -0.853   6.690
   31   2H2*    T  66          2H2*        T  66   3.562  -1.604   5.329
   32    H1*    T  66           H1*        T  66   4.747  -3.660   5.552
   33    H3     T  66           H3         T  66   2.316  -5.806   8.713
   34   1H5M    T  66          1H5M        T  66   2.288  -1.929  11.394
   35   2H5M    T  66          2H5M        T  66   4.038  -2.099  11.660
   36   3H5M    T  66          3H5M        T  66   3.414  -0.844  10.563
   37    H6     T  66           H6         T  66   4.639  -1.580   8.672
   38   1H5*    T  67          1H5*        T  67   4.695  -3.942   3.281
   39   2H5*    T  67          2H5*        T  67   4.170  -3.800   1.598
   40    H4*    T  67           H4*        T  67   3.114  -5.725   2.669
   41    H3*    T  67           H3*        T  67   1.760  -3.718   1.257
   42   1H2*    T  67          1H2*        T  67   0.700  -2.841   3.213
   43   2H2*    T  67          2H2*        T  67  -0.525  -4.073   2.765
   44    H1*    T  67           H1*        T  67   0.585  -5.755   4.120
   45    H3     T  67           H3         T  67  -1.699  -4.994   7.944
   46   1H5M    T  67          1H5M        T  67   0.932  -1.194   8.854
   47   2H5M    T  67          2H5M        T  67   1.904  -0.999   7.388
   48   3H5M    T  67          3H5M        T  67   0.243  -0.368   7.440
   49    H6     T  67           H6         T  67   1.544  -2.415   5.486
   50   1H5*    G  68          1H5*        G  68   0.131  -8.302   1.423
   51   2H5*    G  68          2H5*        G  68  -0.420  -8.619  -0.228
   52    H4*    G  68           H4*        G  68  -1.558 -10.071   1.358
   53    H3*    G  68           H3*        G  68  -2.936  -8.659  -0.578
   54    H1*    G  68           H1*        G  68  -4.200  -8.844   3.078
   55    H8     G  68           H8         G  68  -2.450  -5.447   2.258
   56    H1     G  68           H1         G  68  -5.753  -5.655   7.812
   57   1H2     G  68          1H2         G  68  -6.986  -7.570   7.782
   58   2H2     G  68          2H2         G  68  -6.633  -8.808   6.585
   59   1H2*    G  68          1H2*        G  68  -3.674  -6.912   0.804
   60   2H2*    G  68          2H2*        G  68  -5.047  -8.018   1.048
   61   1H5*    G  69          1H5*        G  69  -5.439 -11.407   2.388
   62   2H5*    G  69          2H5*        G  69  -6.344 -12.499   1.338
   63    H4*    G  69           H4*        G  69  -7.559 -12.193   3.386
   64    H3*    G  69           H3*        G  69  -8.744 -11.777   0.884
   65    H1*    G  69           H1*        G  69  -9.432  -9.661   3.994
   66    H8     G  69           H8         G  69  -7.341  -7.657   1.383
   67    H1     G  69           H1         G  69  -9.312  -4.320   6.543
   68   1H2     G  69          1H2         G  69 -10.696  -5.606   7.729
   69   2H2     G  69          2H2         G  69 -10.971  -7.271   7.231
   70   1H2*    G  69          1H2*        G  69  -8.775  -9.436   1.028
   71   2H2*    G  69          2H2*        G  69 -10.352  -9.764   1.795
   72   1H5*    C  70          1H5*        C  70 -11.584 -11.471   4.637
   73   2H5*    C  70          2H5*        C  70 -13.103 -12.318   4.322
   74    H4*    C  70           H4*        C  70 -13.532 -10.314   5.590
   75    H3*    C  70           H3*        C  70 -14.738 -10.687   2.968
   76    H1*    C  70           H1*        C  70 -13.884  -7.650   5.047
   77   1H4     C  70          1H4         C  70 -10.636  -2.764   2.823
   78   2H4     C  70          2H4         C  70  -9.787  -3.744   1.620
   79    H5     C  70           H5         C  70 -10.280  -6.051   1.276
   80    H6     C  70           H6         C  70 -11.640  -7.958   2.072
   81   1H2*    C  70          1H2*        C  70 -13.999  -8.652   2.172
   82   2H2*    C  70          2H2*        C  70 -15.327  -7.970   3.154
   83   1H5*    A  71          1H5*        A  71 -16.859  -8.077   6.276
   84   2H5*    A  71          2H5*        A  71 -18.625  -8.133   6.176
   85    H4*    A  71           H4*        A  71 -17.776  -5.850   6.611
   86    H3*    A  71           H3*        A  71 -19.147  -6.319   3.960
   87    H1*    A  71           H1*        A  71 -16.496  -3.736   5.208
   88    H8     A  71           H8         A  71 -16.314  -6.171   2.224
   89   1H6     A  71          1H6         A  71 -12.738  -1.540  -0.145
   90   2H6     A  71          2H6         A  71 -13.197  -3.220  -0.478
   91    H2     A  71           H2         A  71 -14.633  -0.057   3.352
   92   1H2*    A  71          1H2*        A  71 -18.614  -4.197   3.249
   93   2H2*    A  71          2H2*        A  71 -18.678  -3.516   4.900
   94   1H5*    C  72          1H5*        C  72 -20.254  -3.058   7.000
   95   2H5*    C  72          2H5*        C  72 -21.948  -2.548   6.991
   96    H4*    C  72           H4*        C  72 -20.406  -0.611   7.137
   97    H3*    C  72           H3*        C  72 -22.125  -0.942   4.709
   98    H1*    C  72           H1*        C  72 -18.758   0.861   5.368
   99   1H4     C  72          1H4         C  72 -15.693   0.165  -0.205
  100   2H4     C  72          2H4         C  72 -16.736  -1.117  -0.613
  101    H5     C  72           H5         C  72 -18.346  -2.119   0.831
  102    H6     C  72           H6         C  72 -19.530  -1.854   2.968
  103   1H2*    C  72          1H2*        C  72 -20.987   0.474   3.465
  104   2H2*    C  72          2H2*        C  72 -20.751   1.652   4.797
  105   1H5*    G  73          1H5*        G  73 -22.005   3.281   6.564
  106   2H5*    G  73          2H5*        G  73 -23.511   4.182   6.307
  107    H4*    G  73           H4*        G  73 -21.626   5.616   5.851
  108    H3*    G  73           H3*        G  73 -23.032   4.763   3.309
  109    H1*    G  73           H1*        G  73 -19.228   5.378   3.542
  110    H8     G  73           H8         G  73 -21.839   2.651   2.981
  111    H1     G  73           H1         G  73 -17.198   3.045  -1.487
  112   1H2     G  73          1H2         G  73 -16.503   5.196  -1.555
  113   2H2     G  73          2H2         G  73 -16.880   6.258  -0.204
  114   1H2*    G  73          1H2*        G  73 -21.437   6.119   2.134
  115   2H2*    G  73          2H2*        G  73 -20.916   6.938   3.638
  116   1H5*    T  74          1H5*        T  74 -21.946   8.742   2.890
  117   2H5*    T  74          2H5*        T  74 -23.176   9.822   2.210
  118    H4*    T  74           H4*        T  74 -21.002   9.911   0.942
  119    H3*    T  74           H3*        T  74 -23.397   8.765  -0.513
  120   1H2*    T  74          1H2*        T  74 -21.986   8.526  -2.404
  121   2H2*    T  74          2H2*        T  74 -20.789   9.682  -1.758
  122    H1*    T  74           H1*        T  74 -19.681   7.945  -0.965
  123    H3     T  74           H3         T  74 -20.353   4.119  -3.437
  124   1H5M    T  74          1H5M        T  74 -24.521   3.946  -0.685
  125   2H5M    T  74          2H5M        T  74 -23.366   2.776  -0.014
  126   3H5M    T  74          3H5M        T  74 -23.690   4.291   0.849
  127    H6     T  74           H6         T  74 -22.572   6.351   0.207
  128   1H5*    T  75          1H5*        T  75 -21.041  11.558  -2.734
  129   2H5*    T  75          2H5*        T  75 -21.952  12.783  -3.609
  130    H4*    T  75           H4*        T  75 -20.262  11.663  -5.021
  131    H3*    T  75           H3*        T  75 -23.030  12.044  -5.634
  132   1H2*    T  75          1H2*        T  75 -23.639  10.000  -6.092
  133   2H2*    T  75          2H2*        T  75 -22.684  10.096  -7.583
  134    H1*    T  75           H1*        T  75 -20.925   8.968  -6.718
  135    H3     T  75           H3         T  75 -22.182   4.643  -6.082
  136   1H5M    T  75          1H5M        T  75 -25.395   7.843  -3.135
  137   2H5M    T  75          2H5M        T  75 -25.597   6.082  -3.152
  138   3H5M    T  75          3H5M        T  75 -24.397   6.825  -2.075
  139    H6     T  75           H6         T  75 -23.402   8.913  -4.225
  140   1H5*    T  76          1H5*        T  76 -19.922  11.054  -8.955
  141   2H5*    T  76          2H5*        T  76 -20.101  12.035 -10.417
  142    H4*    T  76           H4*        T  76 -19.574   9.718 -11.010
  143    H3*    T  76           H3*        T  76 -22.195  10.900 -11.768
  144   1H2*    T  76          1H2*        T  76 -23.344   8.977 -11.771
  145   2H2*    T  76          2H2*        T  76 -22.110   8.189 -12.787
  146    H1*    T  76           H1*        T  76 -21.045   7.208 -11.122
  147    H3     T  76           H3         T  76 -23.842   4.364  -8.892
  148   1H5M    T  76          1H5M        T  76 -26.515   8.198  -7.689
  149   2H5M    T  76          2H5M        T  76 -25.219   8.315  -6.472
  150   3H5M    T  76          3H5M        T  76 -25.289   9.488  -7.791
  151    H6     T  76           H6         T  76 -23.635   9.161  -9.335
  152   1H5*    C  77          1H5*        C  77 -20.088   8.054 -14.802
  153   2H5*    C  77          2H5*        C  77 -20.533   8.412 -16.475
  154    H4*    C  77           H4*        C  77 -20.818   6.054 -16.127
  155    H3*    C  77           H3*        C  77 -23.516   7.417 -16.098
  156    H1*    C  77           H1*        C  77 -22.281   4.094 -14.494
  157   1H4     C  77          1H4         C  77 -27.145   4.773 -10.499
  158   2H4     C  77          2H4         C  77 -27.182   6.534 -10.685
  159    H5     C  77           H5         C  77 -25.658   7.689 -12.175
  160    H6     C  77           H6         C  77 -23.795   7.315 -13.834
  161    H3T    C  77           H3T        C  77 -23.522   6.591 -18.269
  162   1H2*    C  77          1H2*        C  77 -24.443   5.261 -15.945
  163   2H2*    C  77          2H2*        C  77 -22.982   4.477 -16.619
  164   1H5*    G  78          1H5*        G  78 -33.336  -3.781 -10.795
  165   2H5*    G  78          2H5*        G  78 -32.614  -5.104  -9.867
  166    H4*    G  78           H4*        G  78 -31.330  -4.845 -11.856
  167    H3*    G  78           H3*        G  78 -29.936  -3.772  -9.396
  168    H1*    G  78           H1*        G  78 -29.542  -2.266 -13.004
  169    H8     G  78           H8         G  78 -31.145  -1.213  -9.767
  170    H1     G  78           H1         G  78 -26.389   2.679 -11.746
  171   1H2     G  78          1H2         G  78 -25.188   1.573 -13.259
  172   2H2     G  78          2H2         G  78 -25.757   0.017 -13.871
  173   1H2*    G  78          1H2*        G  78 -28.215  -2.933 -10.648
  174   2H2*    G  78          2H2*        G  78 -28.505  -4.044 -12.031
  175    H5T    G  78           H5T        G  78 -33.185  -3.318  -8.529
  176   1H5*    A  79          1H5*        A  79 -26.931  -5.596 -11.687
  177   2H5*    A  79          2H5*        A  79 -25.834  -6.601 -10.733
  178    H4*    A  79           H4*        A  79 -24.637  -4.775 -11.937
  179    H3*    A  79           H3*        A  79 -24.616  -4.814  -8.931
  180    H1*    A  79           H1*        A  79 -24.275  -1.823 -11.496
  181    H8     A  79           H8         A  79 -26.930  -2.441  -8.827
  182   1H6     A  79          1H6         A  79 -25.865   3.596  -7.375
  183   2H6     A  79          2H6         A  79 -26.958   2.256  -6.998
  184    H2     A  79           H2         A  79 -22.868   2.429 -10.159
  185   1H2*    A  79          1H2*        A  79 -23.542  -2.784  -8.870
  186   2H2*    A  79          2H2*        A  79 -22.747  -3.048 -10.450
  187   1H5*    A  80          1H5*        A  80 -21.049  -4.404 -11.616
  188   2H5*    A  80          2H5*        A  80 -19.494  -5.073 -11.094
  189    H4*    A  80           H4*        A  80 -19.382  -2.681 -12.001
  190    H3*    A  80           H3*        A  80 -18.367  -3.365  -9.234
  191    H1*    A  80           H1*        A  80 -19.904  -0.036 -10.651
  192    H8     A  80           H8         A  80 -21.358  -2.503  -8.081
  193   1H6     A  80          1H6         A  80 -23.374   2.691  -5.158
  194   2H6     A  80          2H6         A  80 -23.459   0.930  -5.097
  195    H2     A  80           H2         A  80 -20.848   3.911  -8.431
  196   1H2*    A  80          1H2*        A  80 -18.455  -1.352  -8.535
  197   2H2*    A  80          2H2*        A  80 -17.845  -0.634 -10.067
  198   1H5*    A  81          1H5*        A  81 -15.856  -0.500 -11.600
  199   2H5*    A  81          2H5*        A  81 -14.116  -0.786 -11.394
  200    H4*    A  81           H4*        A  81 -14.705   1.598 -10.865
  201    H3*    A  81           H3*        A  81 -13.635  -0.238  -8.756
  202    H1*    A  81           H1*        A  81 -16.021   2.870  -8.506
  203    H8     A  81           H8         A  81 -16.680  -0.853  -7.529
  204   1H6     A  81          1H6         A  81 -20.766   1.689  -3.496
  205   2H6     A  81          2H6         A  81 -20.051   0.156  -3.991
  206    H2     A  81           H2         A  81 -19.004   4.908  -5.781
  207   1H2*    A  81          1H2*        A  81 -14.399   0.950  -7.027
  208   2H2*    A  81          2H2*        A  81 -14.007   2.516  -7.801
  209   1H5*    C  82          1H5*        C  82 -12.374   4.140  -9.073
  210   2H5*    C  82          2H5*        C  82 -10.698   4.442  -8.591
  211    H4*    C  82           H4*        C  82 -12.066   6.146  -7.606
  212    H3*    C  82           H3*        C  82 -11.242   4.056  -5.561
  213    H1*    C  82           H1*        C  82 -14.407   6.176  -5.414
  214   1H4     C  82          1H4         C  82 -17.551   1.754  -2.478
  215   2H4     C  82          2H4         C  82 -16.462   0.573  -3.107
  216    H5     C  82           H5         C  82 -14.713   1.022  -4.692
  217    H6     C  82           H6         C  82 -13.356   2.745  -5.688
  218   1H2*    C  82          1H2*        C  82 -12.223   5.506  -3.917
  219   2H2*    C  82          2H2*        C  82 -12.267   6.876  -5.055
  220   1H5*    G  83          1H5*        G  83 -10.072   7.957  -4.004
  221   2H5*    G  83          2H5*        G  83  -8.550   7.828  -3.131
  222    H4*    G  83           H4*        G  83 -10.216   8.870  -1.851
  223    H3*    G  83           H3*        G  83  -8.656   7.432  -0.556
  224    H1*    G  83           H1*        G  83 -12.375   6.565  -0.051
  225    H8     G  83           H8         G  83 -10.613   4.226  -2.585
  226    H1     G  83           H1         G  83 -15.575   1.551   0.544
  227   1H2     G  83          1H2         G  83 -16.088   2.892   2.273
  228   2H2     G  83          2H2         G  83 -15.392   4.507   2.356
  229   1H2*    G  83          1H2*        G  83  -9.733   5.320  -0.820
  230   2H2*    G  83          2H2*        G  83 -10.339   5.794   0.790
  231   1H5*    T  84          1H5*        T  84 -12.298   7.540   2.591
  232   2H5*    T  84          2H5*        T  84 -11.579   8.324   4.015
  233    H4*    T  84           H4*        T  84 -12.649   6.359   4.829
  234    H3*    T  84           H3*        T  84  -9.835   6.609   5.101
  235   1H2*    T  84          1H2*        T  84  -9.361   4.917   3.526
  236   2H2*    T  84          2H2*        T  84  -9.490   3.892   4.992
  237    H1*    T  84           H1*        T  84 -11.839   3.551   4.645
  238    H3     T  84           H3         T  84 -12.762   0.245   1.753
  239   1H5M    T  84          1H5M        T  84  -8.789   3.134  -0.444
  240   2H5M    T  84          2H5M        T  84  -8.293   1.467  -0.067
  241   3H5M    T  84          3H5M        T  84  -9.546   1.778  -1.280
  242    H6     T  84           H6         T  84  -9.514   3.798   1.691
  243   1H5*    G  85          1H5*        G  85 -12.590   5.459   8.689
  244   2H5*    G  85          2H5*        G  85 -11.725   5.626  10.227
  245    H4*    G  85           H4*        G  85 -13.468   3.946  10.483
  246    H3*    G  85           H3*        G  85 -10.645   3.158  10.653
  247    H1*    G  85           H1*        G  85 -13.562   0.961   9.023
  248    H8     G  85           H8         G  85 -10.577   2.746   7.335
  249    H1     G  85           H1         G  85 -12.307  -2.866   4.669
  250   1H2     G  85          1H2         G  85 -13.798  -3.845   6.043
  251   2H2     G  85          2H2         G  85 -14.376  -2.989   7.475
  252   1H2*    G  85          1H2*        G  85 -10.753   1.111   9.790
  253   2H2*    G  85          2H2*        G  85 -12.180   0.681  10.769
  254   1H5*    C  86          1H5*        C  86 -13.072   0.145  13.201
  255   2H5*    C  86          2H5*        C  86 -12.227  -0.065  14.744
  256    H4*    C  86           H4*        C  86 -12.728  -2.240  13.741
  257    H3*    C  86           H3*        C  86  -9.910  -1.400  14.140
  258    H1*    C  86           H1*        C  86 -11.604  -3.845  11.568
  259   1H4     C  86          1H4         C  86  -8.981  -2.586   5.913
  260   2H4     C  86          2H4         C  86  -8.521  -1.010   6.474
  261    H5     C  86           H5         C  86  -8.789  -0.194   8.663
  262    H6     C  86           H6         C  86  -9.686  -0.736  10.896
  263   1H2*    C  86          1H2*        C  86  -9.049  -2.546  12.425
  264   2H2*    C  86          2H2*        C  86  -9.831  -4.045  12.959
  265   1H5*    C  87          1H5*        C  87 -11.238  -5.799  14.952
  266   2H5*    C  87          2H5*        C  87 -10.247  -6.639  16.152
  267    H4*    C  87           H4*        C  87 -10.591  -8.048  14.183
  268    H3*    C  87           H3*        C  87  -7.760  -7.008  14.487
  269    H1*    C  87           H1*        C  87  -9.747  -8.061  11.300
  270   1H4     C  87          1H4         C  87  -6.798  -3.969   7.564
  271   2H4     C  87          2H4         C  87  -6.293  -3.019   8.941
  272    H5     C  87           H5         C  87  -6.603  -3.629  11.116
  273    H6     C  87           H6         C  87  -7.676  -5.268  12.675
  274   1H2*    C  87          1H2*        C  87  -7.184  -8.201  12.534
  275   2H2*    C  87          2H2*        C  87  -8.564  -9.319  12.702
  276   1H5*    A  88          1H5*        A  88  -7.959 -11.148  13.694
  277   2H5*    A  88          2H5*        A  88  -6.872 -12.201  14.587
  278    H4*    A  88           H4*        A  88  -6.864 -12.445  12.082
  279    H3*    A  88           H3*        A  88  -4.713 -12.731  13.802
  280    H1*    A  88           H1*        A  88  -4.439 -10.750  10.459
  281    H8     A  88           H8         A  88  -4.931  -8.453  13.579
  282   1H6     A  88          1H6         A  88  -2.430  -4.038   9.930
  283   2H6     A  88          2H6         A  88  -3.167  -4.329  11.507
  284    H2     A  88           H2         A  88  -2.503  -7.700   7.634
  285   1H2*    A  88          1H2*        A  88  -3.767 -10.630  13.415
  286   2H2*    A  88          2H2*        A  88  -2.938 -11.514  12.113
  287   1H5*    A  89          1H5*        A  89  -4.412 -13.387   9.217
  288   2H5*    A  89          2H5*        A  89  -3.809 -15.028   8.958
  289    H4*    A  89           H4*        A  89  -3.332 -13.612   7.043
  290    H3*    A  89           H3*        A  89  -1.463 -15.261   8.231
  291    H1*    A  89           H1*        A  89  -0.604 -11.683   7.120
  292    H8     A  89           H8         A  89  -0.998 -12.033  10.989
  293   1H6     A  89          1H6         A  89   0.928  -6.058  10.946
  294   2H6     A  89          2H6         A  89   0.408  -7.353  12.030
  295    H2     A  89           H2         A  89   0.772  -7.422   6.858
  296   1H2*    A  89          1H2*        A  89  -0.294 -13.629   9.416
  297   2H2*    A  89          2H2*        A  89   0.622 -13.517   7.886
  298   1H5*    A  90          1H5*        A  90   0.674 -13.096   4.631
  299   2H5*    A  90          2H5*        A  90   1.580 -14.307   3.708
  300    H4*    A  90           H4*        A  90   2.995 -12.392   4.071
  301    H3*    A  90           H3*        A  90   3.732 -14.981   5.198
  302    H1*    A  90           H1*        A  90   4.534 -11.362   6.234
  303    H8     A  90           H8         A  90   2.682 -13.466   8.954
  304   1H6     A  90          1H6         A  90   3.173  -8.155  12.284
  305   2H6     A  90          2H6         A  90   2.506  -9.787  12.349
  306    H2     A  90           H2         A  90   5.209  -7.545   8.549
  307   1H2*    A  90          1H2*        A  90   4.128 -14.188   7.289
  308   2H2*    A  90          2H2*        A  90   5.605 -13.453   6.608
  309   1H5*    A  91          1H5*        A  91   7.106 -11.942   3.575
  310   2H5*    A  91          2H5*        A  91   8.590 -12.828   3.189
  311    H4*    A  91           H4*        A  91   9.164 -10.797   4.377
  312    H3*    A  91           H3*        A  91   9.434 -13.278   6.121
  313    H1*    A  91           H1*        A  91   8.766  -9.567   7.035
  314    H8     A  91           H8         A  91   7.479 -13.081   7.932
  315   1H6     A  91          1H6         A  91   5.706 -10.161  13.239
  316   2H6     A  91          2H6         A  91   5.676 -11.748  12.462
  317    H2     A  91           H2         A  91   7.754  -7.310  10.773
  318    H3T    A  91           H3T        A  91  11.673 -12.910   5.617
  319   1H2*    A  91          1H2*        A  91  10.218 -11.909   7.850
  320   2H2*    A  91          2H2*        A  91  10.745 -10.619   6.725
  321   1H    HIS   1          1H        HIS   1 -11.092  12.338   0.086
  322   2H    HIS   1          2H        HIS   1  -9.928  11.423  -0.615
  323   3H    HIS   1          3H        HIS   1 -11.012  10.727   0.405
  324    HA   HIS   1           HA       HIS   1 -11.615  10.163  -1.821
  325   2HB   HIS   1          2HB       HIS   1 -13.890  11.027  -1.900
  326    HD1  HIS   1           HD1      HIS   1 -13.709  11.425   1.863
  327    HD2  HIS   1           HD2      HIS   1 -14.006   8.414  -1.093
  328    HE1  HIS   1           HE1      HIS   1 -14.497   9.324   3.052
  329    H    MET   2           H        MET   2 -12.785  11.046  -3.773
  330    HA   MET   2           HA       MET   2 -13.043  12.258  -5.614
  331   2HB   MET   2          2HB       MET   2 -13.600  14.594  -5.339
  332   2HG   MET   2          2HG       MET   2 -15.189  14.524  -3.524
  333   1HE   MET   2          1HE       MET   2 -16.707  14.352  -5.667
  334   2HE   MET   2          2HE       MET   2 -15.375  13.676  -6.631
  335   3HE   MET   2          3HE       MET   2 -16.950  12.864  -6.608
  336    H    LEU   3           H        LEU   3 -10.018  11.937  -4.730
  337    HA   LEU   3           HA       LEU   3  -8.638  13.940  -6.274
  338   2HB   LEU   3          2HB       LEU   3  -6.807  12.179  -6.342
  339    HG   LEU   3           HG       LEU   3  -7.869  12.363  -3.512
  340   1HD1  LEU   3          1HD1      LEU   3  -5.639  11.178  -4.428
  341   2HD1  LEU   3          2HD1      LEU   3  -5.006  12.800  -4.376
  342   3HD1  LEU   3          3HD1      LEU   3  -5.664  12.057  -2.880
  343   1HD2  LEU   3          1HD2      LEU   3  -8.067  14.645  -4.298
  344   2HD2  LEU   3          2HD2      LEU   3  -6.562  14.542  -3.392
  345   3HD2  LEU   3          3HD2      LEU   3  -6.526  14.517  -5.180
  346    H    THR   4           H        THR   4  -7.323  13.476  -8.115
  347    HA   THR   4           HA       THR   4  -9.045  12.891 -10.429
  348    HB   THR   4           HB       THR   4  -7.162  13.594 -11.824
  349    HG1  THR   4           HG1      THR   4  -5.297  14.357 -10.678
  350   1HG2  THR   4          1HG2      THR   4  -8.571  15.355 -10.919
  351   2HG2  THR   4          2HG2      THR   4  -7.547  15.474  -9.479
  352   3HG2  THR   4          3HG2      THR   4  -6.891  15.889 -11.076
  353    H    GLN   5           H        GLN   5  -7.481  11.829 -12.337
  354    HA   GLN   5           HA       GLN   5  -7.561   9.053 -12.128
  355   2HB   GLN   5          2HB       GLN   5  -7.385  10.353 -14.195
  356   2HG   GLN   5          2HG       GLN   5  -4.413  10.633 -13.564
  357   1HE2  GLN   5          1HE2      GLN   5  -6.529  12.505 -15.782
  358   2HE2  GLN   5          2HE2      GLN   5  -5.657  11.999 -17.228
  359    HN2  GLY   6           HN2      GLY   6  -5.014  11.157 -10.850
  360   1HA   GLY   6          1HA       GLY   6  -4.110   9.015  -9.201
  361   2HA   GLY   6          2HA       GLY   6  -2.949   9.287 -10.508
  362    H    GLU   7           H        GLU   7  -4.824  11.769  -8.467
  363    HA   GLU   7           HA       GLU   7  -2.559  13.423  -8.227
  364   2HB   GLU   7          2HB       GLU   7  -4.413  13.919  -6.126
  365   2HG   GLU   7          2HG       GLU   7  -4.281  15.169  -8.886
  366    H    LEU   8           H        LEU   8  -3.331  10.560  -6.533
  367    HA   LEU   8           HA       LEU   8  -1.135  11.143  -4.572
  368   2HB   LEU   8          2HB       LEU   8  -3.384  10.705  -3.637
  369    HG   LEU   8           HG       LEU   8  -3.602   8.541  -5.360
  370   1HD1  LEU   8          1HD1      LEU   8  -2.953   7.521  -2.547
  371   2HD1  LEU   8          2HD1      LEU   8  -3.486   6.513  -3.882
  372   3HD1  LEU   8          3HD1      LEU   8  -1.893   7.298  -3.960
  373   1HD2  LEU   8          1HD2      LEU   8  -5.663   9.046  -4.581
  374   2HD2  LEU   8          2HD2      LEU   8  -5.366   7.700  -3.488
  375   3HD2  LEU   8          3HD2      LEU   8  -5.099   9.362  -2.928
  376    H    MET   9           H        MET   9  -1.797   9.477  -7.413
  377    HA   MET   9           HA       MET   9  -0.183   7.057  -6.934
  378   2HB   MET   9          2HB       MET   9  -2.177   7.908  -8.888
  379   2HG   MET   9          2HG       MET   9   0.287   6.580  -9.946
  380   1HE   MET   9          1HE       MET   9   0.459   5.567 -12.397
  381   2HE   MET   9          2HE       MET   9  -0.871   5.640 -13.570
  382   3HE   MET   9          3HE       MET   9  -0.113   7.141 -12.993
  383    H    LYS  10           H        LYS  10   0.067   9.840  -9.117
  384    HA   LYS  10           HA       LYS  10   2.805   9.120  -9.894
  385   2HB   LYS  10          2HB       LYS  10   1.177   9.951 -11.492
  386   2HG   LYS  10          2HG       LYS  10   1.419  12.783 -10.553
  387   2HD   LYS  10          2HD       LYS  10  -1.030  11.343 -11.650
  388   2HE   LYS  10          2HE       LYS  10  -0.118  14.248 -11.552
  389   1HZ   LYS  10          1HZ       LYS  10  -1.411  13.761 -13.550
  390   2HZ   LYS  10          2HZ       LYS  10  -2.621  13.104 -12.665
  391   3HZ   LYS  10          3HZ       LYS  10  -2.278  14.697 -12.534
  392    H    LEU  11           H        LEU  11   2.276   9.804  -7.114
  393    HA   LEU  11           HA       LEU  11   4.138  12.052  -6.510
  394   2HB   LEU  11          2HB       LEU  11   2.660  12.466  -4.505
  395    HG   LEU  11           HG       LEU  11   0.885  13.734  -5.448
  396   1HD1  LEU  11          1HD1      LEU  11   3.310  13.925  -7.268
  397   2HD1  LEU  11          2HD1      LEU  11   2.126  15.211  -6.943
  398   3HD1  LEU  11          3HD1      LEU  11   3.189  14.636  -5.641
  399   1HD2  LEU  11          1HD2      LEU  11   0.350  11.909  -7.251
  400   2HD2  LEU  11          2HD2      LEU  11   0.096  13.623  -7.668
  401   3HD2  LEU  11          3HD2      LEU  11   1.547  12.789  -8.218
  402    H    ILE  12           H        ILE  12   2.624   8.927  -5.427
  403    HA   ILE  12           HA       ILE  12   4.167   8.851  -2.986
  404    HB   ILE  12           HB       ILE  12   3.778   6.360  -3.095
  405   2HG1  ILE  12          2HG1      ILE  12   3.164   6.626  -5.773
  406   1HG2  ILE  12          1HG2      ILE  12   1.485   8.338  -3.095
  407   2HG2  ILE  12          2HG2      ILE  12   1.326   6.647  -2.610
  408   3HG2  ILE  12          3HG2      ILE  12   2.412   7.738  -1.717
  409   1HD1  ILE  12          1HD1      ILE  12   2.028   4.367  -5.510
  410   2HD1  ILE  12          2HD1      ILE  12   3.564   4.458  -4.637
  411   3HD1  ILE  12          3HD1      ILE  12   2.023   4.603  -3.764
  412    H    LYS  13           H        LYS  13   4.883   7.846  -6.255
  413    HA   LYS  13           HA       LYS  13   7.504   6.650  -5.407
  414   2HB   LYS  13          2HB       LYS  13   6.325   5.357  -6.953
  415   2HG   LYS  13          2HG       LYS  13   4.874   7.092  -8.044
  416   2HD   LYS  13          2HD       LYS  13   6.457   8.765  -8.892
  417   2HE   LYS  13          2HE       LYS  13   7.545   6.475 -10.588
  418   1HZ   LYS  13          1HZ       LYS  13   8.170   9.387 -10.690
  419   2HZ   LYS  13          2HZ       LYS  13   7.389   8.541 -11.849
  420   3HZ   LYS  13          3HZ       LYS  13   8.957   8.225 -11.527
  421    H    GLU  14           H        GLU  14   6.454   9.665  -6.149
  422    HA   GLU  14           HA       GLU  14   8.856  10.555  -7.667
  423   2HB   GLU  14          2HB       GLU  14   6.347  12.150  -7.046
  424   2HG   GLU  14          2HG       GLU  14   8.162  13.496  -8.016
  425    H    ILE  15           H        ILE  15   7.437  10.720  -4.486
  426    HA   ILE  15           HA       ILE  15   9.491  12.683  -3.606
  427    HB   ILE  15           HB       ILE  15   8.311  12.895  -1.563
  428   2HG1  ILE  15          2HG1      ILE  15   6.832  10.453  -2.420
  429   1HG2  ILE  15          1HG2      ILE  15   6.315  13.133  -3.841
  430   2HG2  ILE  15          2HG2      ILE  15   6.310  14.023  -2.310
  431   3HG2  ILE  15          3HG2      ILE  15   7.615  14.291  -3.475
  432   1HD1  ILE  15          1HD1      ILE  15   7.178  11.815   0.291
  433   2HD1  ILE  15          2HD1      ILE  15   6.588  10.168  -0.004
  434   3HD1  ILE  15          3HD1      ILE  15   8.277  10.589  -0.377
  435    H    VAL  16           H        VAL  16   8.230   9.307  -2.975
  436    HA   VAL  16           HA       VAL  16  10.190   8.838  -0.991
  437    HB   VAL  16           HB       VAL  16   8.702   6.822  -2.729
  438   1HG1  VAL  16          1HG1      VAL  16  10.458   6.479  -0.281
  439   2HG1  VAL  16          2HG1      VAL  16   9.257   5.256  -0.791
  440   3HG1  VAL  16          3HG1      VAL  16  10.603   5.673  -1.858
  441   1HG2  VAL  16          1HG2      VAL  16   8.229   7.765   0.141
  442   2HG2  VAL  16          2HG2      VAL  16   7.242   8.216  -1.243
  443   3HG2  VAL  16          3HG2      VAL  16   7.296   6.529  -0.733
  444    H    GLU  17           H        GLU  17  10.383   8.502  -4.522
  445    HA   GLU  17           HA       GLU  17  13.005   7.070  -4.298
  446   2HB   GLU  17          2HB       GLU  17  13.110   7.235  -6.762
  447   2HG   GLU  17          2HG       GLU  17  11.118   5.869  -7.342
  448    H    ASN  18           H        ASN  18  12.138  10.179  -3.734
  449    HA   ASN  18           HA       ASN  18  14.545  11.424  -4.942
  450   2HB   ASN  18          2HB       ASN  18  12.712  13.324  -3.792
  451   1HD2  ASN  18          1HD2      ASN  18  11.288  13.059  -6.622
  452   2HD2  ASN  18          2HD2      ASN  18  12.450  13.897  -7.659
  453    H    GLU  19           H        GLU  19  13.207  10.380  -1.917
  454    HA   GLU  19           HA       GLU  19  14.704  12.392  -0.347
  455   2HB   GLU  19          2HB       GLU  19  13.380  11.324   1.561
  456   2HG   GLU  19          2HG       GLU  19  11.126  12.147   0.757
  457    H    ASP  20           H        ASP  20  14.187   9.149   0.861
  458    HA   ASP  20           HA       ASP  20  17.077   8.522   0.705
  459   2HB   ASP  20          2HB       ASP  20  16.852   7.654   3.139
  460    H    LYS  21           H        LYS  21  16.506   7.149  -0.865
  461    HA   LYS  21           HA       LYS  21  14.894   4.766  -0.596
  462   2HB   LYS  21          2HB       LYS  21  16.404   3.872  -2.393
  463   2HG   LYS  21          2HG       LYS  21  15.395   6.726  -2.837
  464   2HD   LYS  21          2HD       LYS  21  15.018   5.930  -5.178
  465   2HE   LYS  21          2HE       LYS  21  17.341   5.961  -6.008
  466   1HZ   LYS  21          1HZ       LYS  21  16.261   8.066  -5.280
  467   2HZ   LYS  21          2HZ       LYS  21  17.898   8.119  -5.194
  468   3HZ   LYS  21          3HZ       LYS  21  17.012   7.947  -3.836
  469    H    ARG  22           H        ARG  22  17.836   5.626   0.869
  470    HA   ARG  22           HA       ARG  22  18.719   3.013   1.857
  471   2HB   ARG  22          2HB       ARG  22  20.257   4.173   3.192
  472   2HG   ARG  22          2HG       ARG  22  20.333   4.833   0.543
  473   2HD   ARG  22          2HD       ARG  22  20.359   7.453   2.123
  474    HE   ARG  22           HE       ARG  22  21.463   6.813  -0.464
  475   1HH1  ARG  22          1HH1      ARG  22  19.774   9.453   1.179
  476   2HH1  ARG  22          2HH1      ARG  22  20.434  10.628   0.067
  477   1HH2  ARG  22          1HH2      ARG  22  22.241   8.382  -1.795
  478   2HH2  ARG  22          2HH2      ARG  22  21.784  10.048  -1.544
  479    H    LYS  23           H        LYS  23  16.221   5.157   2.801
  480    HA   LYS  23           HA       LYS  23  15.486   3.645   5.255
  481   2HB   LYS  23          2HB       LYS  23  15.278   5.748   6.559
  482   2HG   LYS  23          2HG       LYS  23  18.157   5.323   5.650
  483   2HD   LYS  23          2HD       LYS  23  18.669   5.980   7.992
  484   2HE   LYS  23          2HE       LYS  23  17.150   8.111   6.421
  485   1HZ   LYS  23          1HZ       LYS  23  18.662   9.605   7.568
  486   2HZ   LYS  23          2HZ       LYS  23  17.766   8.801   8.670
  487   3HZ   LYS  23          3HZ       LYS  23  19.326   8.380   8.420
  488    HA   PRO  24           HA       PRO  24  12.237   5.047   2.241
  489   2HB   PRO  24          2HB       PRO  24  12.305   2.941   1.257
  490   2HG   PRO  24          2HG       PRO  24  12.644   0.966   2.576
  491   2HD   PRO  24          2HD       PRO  24  14.476   2.329   2.942
  492    H    TYR  25           H        TYR  25   9.963   5.427   2.375
  493    HA   TYR  25           HA       TYR  25   8.799   5.766   5.070
  494   2HB   TYR  25          2HB       TYR  25   6.916   6.783   3.871
  495    HD1  TYR  25           HD1      TYR  25   9.907   7.436   1.689
  496    HD2  TYR  25           HD2      TYR  25   7.374   8.842   4.878
  497    HE1  TYR  25           HE1      TYR  25  11.039   9.638   1.612
  498    HE2  TYR  25           HE2      TYR  25   8.566  11.013   4.874
  499    HH   TYR  25           HH       TYR  25  10.202  12.248   3.943
  500    H    SER  26           H        SER  26   6.171   5.173   4.740
  501    HA   SER  26           HA       SER  26   5.851   2.354   3.891
  502   2HB   SER  26          2HB       SER  26   6.384   2.168   6.265
  503    HG   SER  26           HG       SER  26   5.948   4.125   7.109
  504    H    ASP  27           H        ASP  27   3.463   1.815   3.817
  505    HA   ASP  27           HA       ASP  27   1.945   3.754   2.496
  506   2HB   ASP  27          2HB       ASP  27   1.480   1.470   2.183
  507    H    GLN  28           H        GLN  28   2.133   3.318   6.039
  508    HA   GLN  28           HA       GLN  28   0.001   5.229   6.585
  509   2HB   GLN  28          2HB       GLN  28   2.324   4.146   8.215
  510   2HG   GLN  28          2HG       GLN  28   1.851   6.347   9.112
  511   1HE2  GLN  28          1HE2      GLN  28   0.206   7.688   7.930
  512   2HE2  GLN  28          2HE2      GLN  28  -1.451   7.675   8.516
  513    H    GLU  29           H        GLU  29   3.620   5.518   6.473
  514    HA   GLU  29           HA       GLU  29   3.585   8.283   7.122
  515   2HB   GLU  29          2HB       GLU  29   5.951   8.129   6.277
  516   2HG   GLU  29          2HG       GLU  29   4.959   6.098   8.300
  517    H    ILE  30           H        ILE  30   3.836   6.749   3.864
  518    HA   ILE  30           HA       ILE  30   3.834   9.282   2.479
  519    HB   ILE  30           HB       ILE  30   3.335   8.149   0.479
  520   2HG1  ILE  30          2HG1      ILE  30   1.613   6.656   0.962
  521   1HG2  ILE  30          1HG2      ILE  30   5.621   8.041   1.512
  522   2HG2  ILE  30          2HG2      ILE  30   5.223   6.399   2.078
  523   3HG2  ILE  30          3HG2      ILE  30   5.270   6.766   0.344
  524   1HD1  ILE  30          1HD1      ILE  30   3.214   5.689  -0.746
  525   2HD1  ILE  30          2HD1      ILE  30   3.928   4.724   0.568
  526   3HD1  ILE  30          3HD1      ILE  30   2.239   4.486   0.116
  527    H    ALA  31           H        ALA  31   1.127   7.356   3.763
  528    HA   ALA  31           HA       ALA  31  -0.923   8.966   2.432
  529   1HB   ALA  31          1HB       ALA  31  -2.375   8.059   4.314
  530   2HB   ALA  31          2HB       ALA  31  -1.545   6.826   3.362
  531   3HB   ALA  31          3HB       ALA  31  -0.934   7.258   4.966
  532    H    ASN  32           H        ASN  32   0.935   9.338   5.413
  533    HA   ASN  32           HA       ASN  32  -0.614  11.477   6.558
  534   2HB   ASN  32          2HB       ASN  32   2.253  10.575   7.009
  535   1HD2  ASN  32          1HD2      ASN  32   3.456  11.948   8.277
  536   2HD2  ASN  32          2HD2      ASN  32   2.744  13.122   9.379
  537    H    ILE  33           H        ILE  33   2.504  11.577   4.805
  538    HA   ILE  33           HA       ILE  33   2.757  14.446   4.907
  539    HB   ILE  33           HB       ILE  33   3.853  12.618   2.772
  540   2HG1  ILE  33          2HG1      ILE  33   4.391  12.398   5.563
  541   1HG2  ILE  33          1HG2      ILE  33   4.790  15.341   3.713
  542   2HG2  ILE  33          2HG2      ILE  33   5.761  14.243   2.696
  543   3HG2  ILE  33          3HG2      ILE  33   4.219  14.843   2.100
  544   1HD1  ILE  33          1HD1      ILE  33   4.693  10.844   3.592
  545   2HD1  ILE  33          2HD1      ILE  33   6.261  11.617   3.320
  546   3HD1  ILE  33          3HD1      ILE  33   5.922  10.765   4.868
  547    H    LEU  34           H        LEU  34   1.095  12.351   2.644
  548    HA   LEU  34           HA       LEU  34   0.513  14.273   0.563
  549   2HB   LEU  34          2HB       LEU  34  -1.451  12.449   0.340
  550    HG   LEU  34           HG       LEU  34   0.044  12.426  -1.431
  551   1HD1  LEU  34          1HD1      LEU  34   2.292  11.700   0.477
  552   2HD1  LEU  34          2HD1      LEU  34   2.421  11.666  -1.299
  553   3HD1  LEU  34          3HD1      LEU  34   2.104  13.190  -0.467
  554   1HD2  LEU  34          1HD2      LEU  34  -0.912  10.189  -0.894
  555   2HD2  LEU  34          2HD2      LEU  34   0.619  10.105  -1.777
  556   3HD2  LEU  34          3HD2      LEU  34   0.579   9.775  -0.035
  557    H    LYS  35           H        LYS  35  -0.729  13.846   3.737
  558    HA   LYS  35           HA       LYS  35  -3.247  15.336   3.120
  559   2HB   LYS  35          2HB       LYS  35  -2.717  13.398   4.952
  560   2HG   LYS  35          2HG       LYS  35  -3.015  15.907   6.640
  561   2HD   LYS  35          2HD       LYS  35  -2.026  13.115   7.346
  562   2HE   LYS  35          2HE       LYS  35  -2.775  13.804   9.649
  563   1HZ   LYS  35          1HZ       LYS  35  -0.924  15.294  10.080
  564   2HZ   LYS  35          2HZ       LYS  35  -0.457  14.098   9.065
  565   3HZ   LYS  35          3HZ       LYS  35  -0.734  15.611   8.486
  566    H    GLU  36           H        GLU  36  -0.031  16.166   3.730
  567    HA   GLU  36           HA       GLU  36  -0.670  18.696   5.153
  568   2HB   GLU  36          2HB       GLU  36   1.734  19.014   5.255
  569   2HG   GLU  36          2HG       GLU  36   1.165  16.109   5.955
  570    H    LYS  37           H        LYS  37  -0.456  17.593   1.911
  571    HA   LYS  37           HA       LYS  37   0.001  20.406   0.949
  572   2HB   LYS  37          2HB       LYS  37   1.997  19.173   0.681
  573   2HG   LYS  37          2HG       LYS  37   0.439  17.237  -1.056
  574   2HD   LYS  37          2HD       LYS  37   2.948  17.740  -1.546
  575   2HE   LYS  37          2HE       LYS  37   3.238  16.000   0.931
  576   1HZ   LYS  37          1HZ       LYS  37   5.076  15.936  -0.683
  577   2HZ   LYS  37          2HZ       LYS  37   5.248  17.560  -0.608
  578   3HZ   LYS  37          3HZ       LYS  37   5.578  16.645   0.702
  579    HN2  GLY  38           HN2      GLY  38  -2.008  17.484   0.357
  580   1HA   GLY  38          1HA       GLY  38  -4.154  19.128   0.339
  581   2HA   GLY  38          2HA       GLY  38  -3.714  19.202  -1.364
  582    H    PHE  39           H        PHE  39  -2.951  16.060  -0.265
  583    HA   PHE  39           HA       PHE  39  -5.113  15.173  -1.977
  584   2HB   PHE  39          2HB       PHE  39  -3.834  13.109  -2.098
  585    HD1  PHE  39           HD2      PHE  39  -3.879  14.797  -4.159
  586    HD2  PHE  39           HD1      PHE  39  -0.771  14.676  -1.148
  587    HE1  PHE  39           HE2      PHE  39  -2.371  16.006  -5.670
  588    HE2  PHE  39           HE1      PHE  39   0.756  15.836  -2.710
  589    HZ   PHE  39           HZ       PHE  39  -0.033  16.545  -4.962
  590    H    LYS  40           H        LYS  40  -4.289  15.104   1.309
  591    HA   LYS  40           HA       LYS  40  -4.708  13.666   3.106
  592   2HB   LYS  40          2HB       LYS  40  -5.896  15.678   3.509
  593   2HG   LYS  40          2HG       LYS  40  -7.813  14.640   1.472
  594   2HD   LYS  40          2HD       LYS  40  -9.578  16.220   2.380
  595   2HE   LYS  40          2HE       LYS  40  -8.885  13.754   4.030
  596   1HZ   LYS  40          1HZ       LYS  40 -11.477  15.179   3.784
  597   2HZ   LYS  40          2HZ       LYS  40 -11.244  13.771   4.576
  598   3HZ   LYS  40          3HZ       LYS  40 -10.558  15.142   5.133
  599    H    VAL  41           H        VAL  41  -4.492  11.980   1.214
  600    HA   VAL  41           HA       VAL  41  -6.773  10.089   1.264
  601    HB   VAL  41           HB       VAL  41  -5.802  10.139  -0.877
  602   1HG1  VAL  41          1HG1      VAL  41  -3.382   9.535  -1.219
  603   2HG1  VAL  41          2HG1      VAL  41  -3.613  11.091  -0.427
  604   3HG1  VAL  41          3HG1      VAL  41  -3.123   9.665   0.521
  605   1HG2  VAL  41          1HG2      VAL  41  -5.022   7.812  -1.210
  606   2HG2  VAL  41          2HG2      VAL  41  -4.670   7.641   0.490
  607   3HG2  VAL  41          3HG2      VAL  41  -6.354   7.841  -0.044
  608    H    ALA  42           H        ALA  42  -6.703   8.140   2.348
  609    HA   ALA  42           HA       ALA  42  -5.000   7.881   4.712
  610   1HB   ALA  42          1HB       ALA  42  -7.478   7.747   4.843
  611   2HB   ALA  42          2HB       ALA  42  -7.451   6.351   3.743
  612   3HB   ALA  42          3HB       ALA  42  -6.726   6.225   5.359
  613    H    ARG  43           H        ARG  43  -4.368   5.748   5.358
  614    HA   ARG  43           HA       ARG  43  -2.411   4.657   3.635
  615   2HB   ARG  43          2HB       ARG  43  -3.510   3.772   6.319
  616   2HG   ARG  43          2HG       ARG  43  -0.988   2.774   6.282
  617   2HD   ARG  43          2HD       ARG  43  -3.620   1.494   5.596
  618    HE   ARG  43           HE       ARG  43  -1.123   0.251   4.954
  619   1HH1  ARG  43          1HH1      ARG  43  -3.954  -0.633   6.712
  620   2HH1  ARG  43          2HH1      ARG  43  -3.916  -2.280   6.128
  621   1HH2  ARG  43          1HH2      ARG  43  -1.116  -1.644   4.191
  622   2HH2  ARG  43          2HH2      ARG  43  -2.374  -2.842   4.552
  623    H    ARG  44           H        ARG  44  -5.721   3.660   3.912
  624    HA   ARG  44           HA       ARG  44  -5.285   0.865   3.028
  625   2HB   ARG  44          2HB       ARG  44  -7.942   1.429   2.498
  626   2HG   ARG  44          2HG       ARG  44  -7.100  -0.464   3.811
  627   2HD   ARG  44          2HD       ARG  44  -5.603   0.770   5.389
  628    HE   ARG  44           HE       ARG  44  -7.739   2.382   6.072
  629   1HH1  ARG  44          1HH1      ARG  44  -5.937   0.128   8.053
  630   2HH1  ARG  44          2HH1      ARG  44  -6.071   1.145   9.464
  631   1HH2  ARG  44          1HH2      ARG  44  -7.851   3.633   7.906
  632   2HH2  ARG  44          2HH2      ARG  44  -7.166   3.014   9.386
  633    H    THR  45           H        THR  45  -5.910   3.984   1.446
  634    HA   THR  45           HA       THR  45  -6.534   2.931  -1.125
  635    HB   THR  45           HB       THR  45  -5.650   5.706  -0.310
  636    HG1  THR  45           HG1      THR  45  -7.517   6.186   0.608
  637   1HG2  THR  45          1HG2      THR  45  -7.278   6.405  -1.971
  638   2HG2  THR  45          2HG2      THR  45  -6.162   5.239  -2.678
  639   3HG2  THR  45          3HG2      THR  45  -7.785   4.703  -2.191
  640    H    VAL  46           H        VAL  46  -3.917   4.716   0.499
  641    HA   VAL  46           HA       VAL  46  -2.392   5.038  -1.775
  642    HB   VAL  46           HB       VAL  46  -2.386   6.174   0.613
  643   1HG1  VAL  46          1HG1      VAL  46   0.060   4.370   0.854
  644   2HG1  VAL  46          2HG1      VAL  46  -0.394   5.715   1.887
  645   3HG1  VAL  46          3HG1      VAL  46  -1.407   4.252   1.834
  646   1HG2  VAL  46          1HG2      VAL  46  -0.351   7.326   0.055
  647   2HG2  VAL  46          2HG2      VAL  46   0.209   5.952  -0.931
  648   3HG2  VAL  46          3HG2      VAL  46  -1.150   6.947  -1.468
  649    H    ALA  47           H        ALA  47  -2.606   2.397   0.484
  650    HA   ALA  47           HA       ALA  47  -0.201   1.000  -0.106
  651   1HB   ALA  47          1HB       ALA  47  -1.376  -0.862   1.079
  652   2HB   ALA  47          2HB       ALA  47  -1.455   0.663   1.975
  653   3HB   ALA  47          3HB       ALA  47  -2.871   0.107   1.061
  654    H    LYS  48           H        LYS  48  -3.453   1.060  -1.495
  655    HA   LYS  48           HA       LYS  48  -3.083  -1.266  -3.238
  656   2HB   LYS  48          2HB       LYS  48  -5.195  -0.235  -4.327
  657   2HG   LYS  48          2HG       LYS  48  -5.280  -0.780  -1.326
  658   2HD   LYS  48          2HD       LYS  48  -7.464  -1.012  -3.441
  659   2HE   LYS  48          2HE       LYS  48  -7.587  -1.226  -0.402
  660   1HZ   LYS  48          1HZ       LYS  48  -9.753  -2.264  -0.965
  661   2HZ   LYS  48          2HZ       LYS  48  -9.559  -1.865  -2.535
  662   3HZ   LYS  48          3HZ       LYS  48  -9.716  -0.701  -1.388
  663    H    TYR  49           H        TYR  49  -2.219   2.071  -3.411
  664    HA   TYR  49           HA       TYR  49  -2.072   2.134  -6.333
  665   2HB   TYR  49          2HB       TYR  49  -0.875   4.381  -5.736
  666    HD1  TYR  49           HD1      TYR  49  -4.210   2.706  -5.179
  667    HD2  TYR  49           HD2      TYR  49  -2.094   6.271  -6.298
  668    HE1  TYR  49           HE1      TYR  49  -6.287   3.623  -6.205
  669    HE2  TYR  49           HE2      TYR  49  -4.147   7.161  -7.410
  670    HH   TYR  49           HH       TYR  49  -7.083   6.118  -6.705
  671    H    ARG  50           H        ARG  50   0.402   2.062  -3.751
  672    HA   ARG  50           HA       ARG  50   2.721   2.005  -5.412
  673   2HB   ARG  50          2HB       ARG  50   3.100   2.065  -3.069
  674   2HG   ARG  50          2HG       ARG  50   1.396  -0.424  -2.962
  675   2HD   ARG  50          2HD       ARG  50   2.274  -0.294  -0.414
  676    HE   ARG  50           HE       ARG  50   4.011  -2.073  -1.895
  677   1HH1  ARG  50          1HH1      ARG  50   0.570  -1.689  -1.272
  678   2HH1  ARG  50          2HH1      ARG  50   0.385  -3.372  -0.873
  679   1HH2  ARG  50          1HH2      ARG  50   3.610  -4.195  -1.756
  680   2HH2  ARG  50          2HH2      ARG  50   1.991  -4.797  -1.386
  681    H    GLU  51           H        GLU  51   0.298  -0.414  -5.094
  682    HA   GLU  51           HA       GLU  51   1.913  -2.659  -6.098
  683   2HB   GLU  51          2HB       GLU  51  -1.105  -2.387  -5.803
  684   2HG   GLU  51          2HG       GLU  51   0.703  -4.824  -6.050
  685    H    MET  52           H        MET  52  -0.191  -0.225  -7.569
  686    HA   MET  52           HA       MET  52  -0.156  -1.675 -10.172
  687   2HB   MET  52          2HB       MET  52  -2.311  -0.849  -9.254
  688   2HG   MET  52          2HG       MET  52  -1.264   1.871 -10.126
  689   1HE   MET  52          1HE       MET  52  -4.352   4.044  -9.289
  690   2HE   MET  52          2HE       MET  52  -2.904   3.675  -8.325
  691   3HE   MET  52          3HE       MET  52  -2.753   3.986 -10.064
  692    H    LEU  53           H        LEU  53   1.353   1.126  -8.692
  693    HA   LEU  53           HA       LEU  53   2.418   2.213 -11.187
  694   2HB   LEU  53          2HB       LEU  53   4.018   3.304  -9.427
  695    HG   LEU  53           HG       LEU  53   1.150   3.789 -10.075
  696   1HD1  LEU  53          1HD1      LEU  53   1.075   3.824  -7.561
  697   2HD1  LEU  53          2HD1      LEU  53   2.279   5.127  -7.600
  698   3HD1  LEU  53          3HD1      LEU  53   0.667   5.345  -8.307
  699   1HD2  LEU  53          1HD2      LEU  53   3.248   4.799 -11.092
  700   2HD2  LEU  53          2HD2      LEU  53   2.061   6.005 -10.585
  701   3HD2  LEU  53          3HD2      LEU  53   3.459   5.675  -9.561
  702    HN2  GLY  54           HN2      GLY  54   4.098   0.561  -8.502
  703   1HA   GLY  54          1HA       GLY  54   5.016  -1.665  -9.880
  704   2HA   GLY  54          2HA       GLY  54   6.214  -0.433 -10.253
  705    H    ILE  55           H        ILE  55   5.301   0.243  -7.128
  706    HA   ILE  55           HA       ILE  55   7.818  -0.732  -6.071
  707    HB   ILE  55           HB       ILE  55   5.526   0.875  -4.972
  708   2HG1  ILE  55          2HG1      ILE  55   7.522   1.683  -6.527
  709   1HG2  ILE  55          1HG2      ILE  55   7.927  -0.162  -3.401
  710   2HG2  ILE  55          2HG2      ILE  55   6.882   1.166  -2.857
  711   3HG2  ILE  55          3HG2      ILE  55   6.210  -0.449  -3.034
  712   1HD1  ILE  55          1HD1      ILE  55   6.862   3.196  -3.959
  713   2HD1  ILE  55          2HD1      ILE  55   7.594   3.872  -5.424
  714   3HD1  ILE  55          3HD1      ILE  55   5.931   3.247  -5.478
  715    HA   PRO  56           HA       PRO  56   6.022  -4.598  -4.478
  716   2HB   PRO  56          2HB       PRO  56   7.992  -5.632  -5.022
  717   2HG   PRO  56          2HG       PRO  56  10.017  -4.469  -5.043
  718   2HD   PRO  56          2HD       PRO  56   8.850  -2.738  -6.076
  719    H    SER  57           H        SER  57   8.371  -3.179  -2.198
  720    HA   SER  57           HA       SER  57   6.203  -1.952  -0.628
  721   2HB   SER  57          2HB       SER  57   6.553  -4.233   0.359
  722    HG   SER  57           HG       SER  57   8.421  -4.646   1.439
  723    H    SER  58           H        SER  58   9.290  -1.876  -1.806
  724    HA   SER  58           HA       SER  58  11.198  -0.735  -1.624
  725   2HB   SER  58          2HB       SER  58  11.212   1.598  -0.739
  726    HG   SER  58           HG       SER  58   9.635   2.260  -2.378
  727    H    ARG  59           H        ARG  59   9.775  -1.808   1.254
  728    HA   ARG  59           HA       ARG  59  12.069  -1.370   3.063
  729   2HB   ARG  59          2HB       ARG  59   9.510  -3.007   3.073
  730   2HG   ARG  59          2HG       ARG  59  11.665  -3.177   5.218
  731   2HD   ARG  59          2HD       ARG  59   8.798  -4.189   4.978
  732    HE   ARG  59           HE       ARG  59  10.905  -5.551   6.342
  733   1HH1  ARG  59          1HH1      ARG  59   7.630  -4.460   6.971
  734   2HH1  ARG  59          2HH1      ARG  59   7.345  -5.700   8.160
  735   1HH2  ARG  59          1HH2      ARG  59  10.451  -7.163   7.779
  736   2HH2  ARG  59          2HH2      ARG  59   8.859  -7.307   8.474
  737    H    GLU  60           H        GLU  60  10.750  -3.827   0.905
  738    HA   GLU  60           HA       GLU  60  12.874  -5.690   1.433
  739   2HB   GLU  60          2HB       GLU  60  10.582  -6.364   0.882
  740   2HG   GLU  60          2HG       GLU  60  10.529  -4.738  -1.302
  741    H    ARG  61           H        ARG  61  12.507  -3.129  -0.825
  742    HA   ARG  61           HA       ARG  61  14.758  -3.795  -2.585
  743   2HB   ARG  61          2HB       ARG  61  14.556  -1.396  -3.275
  744   2HG   ARG  61          2HG       ARG  61  11.959  -2.985  -3.204
  745   2HD   ARG  61          2HD       ARG  61  11.361  -0.710  -3.729
  746    HE   ARG  61           HE       ARG  61  13.566  -0.764  -5.774
  747   1HH1  ARG  61          1HH1      ARG  61  11.333   1.229  -3.875
  748   2HH1  ARG  61          2HH1      ARG  61  12.016   2.692  -4.551
  749   1HH2  ARG  61          1HH2      ARG  61  14.292   1.158  -6.569
  750   2HH2  ARG  61          2HH2      ARG  61  13.497   2.646  -6.081
  751    H    ARG  62           H        ARG  62  14.310  -1.757   0.353
  752    HA   ARG  62           HA       ARG  62  16.973  -0.682   0.350
  753   2HB   ARG  62          2HB       ARG  62  14.645  -0.824   2.296
  754   2HG   ARG  62          2HG       ARG  62  16.320   1.413   2.847
  755   2HD   ARG  62          2HD       ARG  62  15.862  -1.140   4.417
  756    HE   ARG  62           HE       ARG  62  17.203   1.334   5.120
  757   1HH1  ARG  62          1HH1      ARG  62  14.966  -0.916   6.601
  758   2HH1  ARG  62          2HH1      ARG  62  15.444  -0.460   8.217
  759   1HH2  ARG  62          1HH2      ARG  62  17.803   1.820   7.163
  760   2HH2  ARG  62          2HH2      ARG  62  17.010   1.064   8.523
  761    H    ILE  63           H        ILE  63  15.426  -3.046   2.481
  762    HA   ILE  63           HA       ILE  63  17.531  -3.364   4.258
  763    HB   ILE  63           HB       ILE  63  15.104  -3.998   4.542
  764   2HG1  ILE  63          2HG1      ILE  63  17.184  -5.961   5.585
  765   1HG2  ILE  63          1HG2      ILE  63  15.937  -6.711   3.439
  766   2HG2  ILE  63          2HG2      ILE  63  14.338  -6.216   4.019
  767   3HG2  ILE  63          3HG2      ILE  63  14.992  -5.523   2.527
  768   1HD1  ILE  63          1HD1      ILE  63  15.872  -3.491   6.829
  769   2HD1  ILE  63          2HD1      ILE  63  16.905  -4.651   7.692
  770   3HD1  ILE  63          3HD1      ILE  63  17.592  -3.654   6.398
  Start of MODEL   15
    1   1H5*    T  64          1H5*        T  64  10.954  -4.444  18.370
    2   2H5*    T  64          2H5*        T  64  10.040  -5.820  17.735
    3    H4*    T  64           H4*        T  64  12.315  -4.389  16.309
    4    H3*    T  64           H3*        T  64   9.315  -4.186  16.036
    5   1H2*    T  64          1H2*        T  64   9.505  -4.058  13.752
    6   2H2*    T  64          2H2*        T  64  11.236  -3.584  13.801
    7    H1*    T  64           H1*        T  64  11.629  -5.728  13.355
    8    H3     T  64           H3         T  64   8.461  -8.082  11.272
    9   1H5M    T  64          1H5M        T  64   7.838  -8.558  16.653
   10   2H5M    T  64          2H5M        T  64   6.332  -8.283  15.745
   11   3H5M    T  64          3H5M        T  64   7.233  -9.800  15.539
   12    H6     T  64           H6         T  64   9.219  -6.785  15.848
   13    H5T    T  64           H5T        T  64  12.150  -6.921  17.585
   14   1H5*    T  65          1H5*        T  65  11.126  -1.465  13.387
   15   2H5*    T  65          2H5*        T  65  10.372   0.126  13.265
   16    H4*    T  65           H4*        T  65  10.432  -1.183  11.078
   17    H3*    T  65           H3*        T  65   8.069   0.053  12.290
   18   1H2*    T  65          1H2*        T  65   6.590  -1.460  11.777
   19   2H2*    T  65          2H2*        T  65   6.967  -1.308  10.049
   20    H1*    T  65           H1*        T  65   8.393  -3.064  10.010
   21    H3     T  65           H3         T  65   5.552  -6.531  10.811
   22   1H5M    T  65          1H5M        T  65   5.975  -3.726  15.409
   23   2H5M    T  65          2H5M        T  65   4.999  -5.201  15.301
   24   3H5M    T  65          3H5M        T  65   6.748  -5.318  15.585
   25    H6     T  65           H6         T  65   7.383  -3.026  13.571
   26   1H5*    T  66          1H5*        T  66   8.727  -0.743   8.050
   27   2H5*    T  66          2H5*        T  66   8.382   0.472   6.815
   28    H4*    T  66           H4*        T  66   7.735  -1.759   6.049
   29    H3*    T  66           H3*        T  66   5.985   0.448   5.979
   30   1H2*    T  66          1H2*        T  66   4.604  -0.396   7.691
   31   2H2*    T  66          2H2*        T  66   3.792  -1.145   6.293
   32    H1*    T  66           H1*        T  66   5.143  -3.143   6.485
   33    H3     T  66           H3         T  66   2.535  -5.567   9.268
   34   1H5M    T  66          1H5M        T  66   4.570  -2.407  12.665
   35   2H5M    T  66          2H5M        T  66   3.798  -1.003  11.892
   36   3H5M    T  66          3H5M        T  66   2.797  -2.263  12.629
   37    H6     T  66           H6         T  66   4.802  -1.340   9.758
   38   1H5*    T  67          1H5*        T  67   4.983  -3.714   4.320
   39   2H5*    T  67          2H5*        T  67   4.750  -3.459   2.587
   40    H4*    T  67           H4*        T  67   3.511  -5.440   3.307
   41    H3*    T  67           H3*        T  67   2.440  -3.300   1.853
   42   1H2*    T  67          1H2*        T  67   1.065  -2.530   3.652
   43   2H2*    T  67          2H2*        T  67  -0.075  -3.722   2.939
   44    H1*    T  67           H1*        T  67   0.758  -5.479   4.382
   45    H3     T  67           H3         T  67  -1.926  -4.757   7.965
   46   1H5M    T  67          1H5M        T  67   1.142  -1.540   9.559
   47   2H5M    T  67          2H5M        T  67   2.134  -1.161   8.146
   48   3H5M    T  67          3H5M        T  67   0.533  -0.420   8.321
   49    H6     T  67           H6         T  67   1.834  -2.368   6.127
   50   1H5*    G  68          1H5*        G  68   0.136  -7.658   1.568
   51   2H5*    G  68          2H5*        G  68  -0.267  -7.793  -0.147
   52    H4*    G  68           H4*        G  68  -1.907  -8.946   1.230
   53    H3*    G  68           H3*        G  68  -2.664  -7.220  -0.807
   54    H1*    G  68           H1*        G  68  -4.380  -7.392   2.544
   55    H8     G  68           H8         G  68  -2.496  -3.982   2.360
   56    H1     G  68           H1         G  68  -5.689  -5.193   7.850
   57   1H2     G  68          1H2         G  68  -6.904  -7.082   7.508
   58   2H2     G  68          2H2         G  68  -6.533  -8.106   6.126
   59   1H2*    G  68          1H2*        G  68  -3.112  -5.379   0.641
   60   2H2*    G  68          2H2*        G  68  -4.746  -6.109   0.571
   61   1H5*    G  69          1H5*        G  69  -5.653 -10.378   1.225
   62   2H5*    G  69          2H5*        G  69  -6.443 -11.129  -0.165
   63    H4*    G  69           H4*        G  69  -7.776 -11.450   1.815
   64    H3*    G  69           H3*        G  69  -8.862 -10.506  -0.532
   65    H1*    G  69           H1*        G  69  -9.766  -8.931   2.880
   66    H8     G  69           H8         G  69  -7.379  -6.663   0.787
   67    H1     G  69           H1         G  69  -9.288  -4.248   6.465
   68   1H2     G  69          1H2         G  69 -10.694  -5.659   7.414
   69   2H2     G  69          2H2         G  69 -11.101  -7.171   6.612
   70   1H2*    G  69          1H2*        G  69  -8.900  -8.229   0.058
   71   2H2*    G  69          2H2*        G  69 -10.509  -8.687   0.660
   72   1H5*    C  70          1H5*        C  70 -12.024 -10.911   3.060
   73   2H5*    C  70          2H5*        C  70 -13.463 -11.711   2.414
   74    H4*    C  70           H4*        C  70 -14.145 -10.045   4.006
   75    H3*    C  70           H3*        C  70 -15.119  -9.996   1.336
   76    H1*    C  70           H1*        C  70 -14.525  -7.175   3.704
   77   1H4     C  70          1H4         C  70 -10.715  -2.253   2.781
   78   2H4     C  70          2H4         C  70  -9.904  -3.012   1.404
   79    H5     C  70           H5         C  70 -10.396  -5.224   0.694
   80    H6     C  70           H6         C  70 -11.935  -7.133   0.996
   81   1H2*    C  70          1H2*        C  70 -14.003  -7.996   0.808
   82   2H2*    C  70          2H2*        C  70 -15.498  -7.292   1.487
   83   1H5*    A  71          1H5*        A  71 -17.864  -7.875   4.922
   84   2H5*    A  71          2H5*        A  71 -19.535  -7.924   4.348
   85    H4*    A  71           H4*        A  71 -19.116  -5.868   5.589
   86    H3*    A  71           H3*        A  71 -19.612  -5.555   2.632
   87    H1*    A  71           H1*        A  71 -17.294  -3.251   4.799
   88    H8     A  71           H8         A  71 -16.946  -5.649   1.787
   89   1H6     A  71          1H6         A  71 -12.805  -1.226   0.058
   90   2H6     A  71          2H6         A  71 -13.336  -2.850  -0.417
   91    H2     A  71           H2         A  71 -15.045   0.308   3.309
   92   1H2*    A  71          1H2*        A  71 -19.175  -3.254   2.747
   93   2H2*    A  71          2H2*        A  71 -19.493  -3.196   4.507
   94   1H5*    C  72          1H5*        C  72 -21.606  -2.925   5.808
   95   2H5*    C  72          2H5*        C  72 -23.208  -2.325   5.363
   96    H4*    C  72           H4*        C  72 -21.826  -0.523   6.290
   97    H3*    C  72           H3*        C  72 -22.415  -0.305   3.332
   98    H1*    C  72           H1*        C  72 -19.336   1.080   5.195
   99   1H4     C  72          1H4         C  72 -15.911   0.262  -0.076
  100   2H4     C  72          2H4         C  72 -17.164  -0.687  -0.775
  101    H5     C  72           H5         C  72 -19.076  -1.483   0.425
  102    H6     C  72           H6         C  72 -20.458  -1.098   2.429
  103   1H2*    C  72          1H2*        C  72 -21.269   1.706   3.288
  104   2H2*    C  72          2H2*        C  72 -21.400   1.957   5.054
  105   1H5*    G  73          1H5*        G  73 -23.213   3.470   5.150
  106   2H5*    G  73          2H5*        G  73 -24.581   4.365   4.460
  107    H4*    G  73           H4*        G  73 -22.504   5.688   4.442
  108    H3*    G  73           H3*        G  73 -23.541   4.908   1.709
  109    H1*    G  73           H1*        G  73 -19.791   5.232   2.527
  110    H8     G  73           H8         G  73 -22.454   2.638   1.609
  111    H1     G  73           H1         G  73 -17.188   2.752  -2.142
  112   1H2     G  73          1H2         G  73 -16.375   4.842  -2.073
  113   2H2     G  73          2H2         G  73 -16.899   5.916  -0.774
  114   1H2*    G  73          1H2*        G  73 -21.669   6.165   0.807
  115   2H2*    G  73          2H2*        G  73 -21.338   6.911   2.397
  116   1H5*    T  74          1H5*        T  74 -22.098   8.800   1.765
  117   2H5*    T  74          2H5*        T  74 -23.143  10.076   1.118
  118    H4*    T  74           H4*        T  74 -20.794  10.187   0.239
  119    H3*    T  74           H3*        T  74 -23.177  10.041  -1.410
  120   1H2*    T  74          1H2*        T  74 -22.500   8.541  -2.864
  121   2H2*    T  74          2H2*        T  74 -21.196   9.624  -3.396
  122    H1*    T  74           H1*        T  74 -19.625   8.648  -2.045
  123    H3     T  74           H3         T  74 -19.483   4.562  -4.302
  124   1H5M    T  74          1H5M        T  74 -23.600   4.585  -0.778
  125   2H5M    T  74          2H5M        T  74 -24.147   4.367  -2.456
  126   3H5M    T  74          3H5M        T  74 -23.150   3.122  -1.673
  127    H6     T  74           H6         T  74 -22.462   6.754  -1.219
  128   1H5*    T  75          1H5*        T  75 -19.669  11.665  -3.700
  129   2H5*    T  75          2H5*        T  75 -20.059  13.168  -4.554
  130    H4*    T  75           H4*        T  75 -18.922  11.663  -6.075
  131    H3*    T  75           H3*        T  75 -21.717  12.450  -6.552
  132   1H2*    T  75          1H2*        T  75 -22.473  10.548  -7.284
  133   2H2*    T  75          2H2*        T  75 -21.314  10.576  -8.632
  134    H1*    T  75           H1*        T  75 -19.821   9.274  -7.612
  135    H3     T  75           H3         T  75 -21.255   5.020  -7.113
  136   1H5M    T  75          1H5M        T  75 -24.564   8.390  -4.377
  137   2H5M    T  75          2H5M        T  75 -25.212   6.906  -5.105
  138   3H5M    T  75          3H5M        T  75 -24.194   6.809  -3.655
  139    H6     T  75           H6         T  75 -22.646   9.338  -5.502
  140   1H5*    T  76          1H5*        T  76 -18.589  11.622  -9.856
  141   2H5*    T  76          2H5*        T  76 -18.708  12.655 -11.289
  142    H4*    T  76           H4*        T  76 -18.195  10.332 -11.915
  143    H3*    T  76           H3*        T  76 -20.723  11.613 -12.793
  144   1H2*    T  76          1H2*        T  76 -21.948   9.734 -12.862
  145   2H2*    T  76          2H2*        T  76 -20.711   8.919 -13.850
  146    H1*    T  76           H1*        T  76 -19.732   7.866 -12.163
  147    H3     T  76           H3         T  76 -22.700   5.085 -10.067
  148   1H5M    T  76          1H5M        T  76 -25.361   9.010  -9.075
  149   2H5M    T  76          2H5M        T  76 -24.174   9.027  -7.744
  150   3H5M    T  76          3H5M        T  76 -24.070  10.238  -9.023
  151    H6     T  76           H6         T  76 -22.361   9.875 -10.485
  152   1H5*    C  77          1H5*        C  77 -18.422   8.730 -15.637
  153   2H5*    C  77          2H5*        C  77 -18.702   9.049 -17.354
  154    H4*    C  77           H4*        C  77 -18.998   6.688 -16.955
  155    H3*    C  77           H3*        C  77 -21.681   8.031 -17.300
  156    H1*    C  77           H1*        C  77 -20.646   4.777 -15.429
  157   1H4     C  77          1H4         C  77 -25.828   5.633 -11.902
  158   2H4     C  77          2H4         C  77 -25.852   7.381 -12.182
  159    H5     C  77           H5         C  77 -24.220   8.466 -13.617
  160    H6     C  77           H6         C  77 -22.230   8.020 -15.092
  161    H3T    C  77           H3T        C  77 -21.423   7.106 -19.420
  162   1H2*    C  77          1H2*        C  77 -22.620   5.875 -17.171
  163   2H2*    C  77          2H2*        C  77 -21.088   5.075 -17.635
  164   1H5*    G  78          1H5*        G  78 -32.059  -2.852 -12.149
  165   2H5*    G  78          2H5*        G  78 -31.396  -4.149 -11.141
  166    H4*    G  78           H4*        G  78 -30.010  -3.969 -13.073
  167    H3*    G  78           H3*        G  78 -28.728  -2.797 -10.597
  168    H1*    G  78           H1*        G  78 -28.158  -1.442 -14.233
  169    H8     G  78           H8         G  78 -29.875  -0.283 -11.097
  170    H1     G  78           H1         G  78 -24.990   3.495 -12.971
  171   1H2     G  78          1H2         G  78 -23.734   2.335 -14.390
  172   2H2     G  78          2H2         G  78 -24.298   0.774 -14.994
  173   1H2*    G  78          1H2*        G  78 -26.929  -2.058 -11.819
  174   2H2*    G  78          2H2*        G  78 -27.208  -3.217 -13.166
  175    H5T    G  78           H5T        G  78 -32.018  -2.301  -9.904
  176   1H5*    A  79          1H5*        A  79 -25.733  -4.833 -12.775
  177   2H5*    A  79          2H5*        A  79 -24.646  -5.810 -11.783
  178    H4*    A  79           H4*        A  79 -23.453  -4.054 -13.144
  179    H3*    A  79           H3*        A  79 -23.268  -4.122 -10.159
  180    H1*    A  79           H1*        A  79 -23.013  -1.040 -12.644
  181    H8     A  79           H8         A  79 -25.625  -1.771  -9.962
  182   1H6     A  79          1H6         A  79 -24.782   4.324  -8.579
  183   2H6     A  79          2H6         A  79 -25.839   2.957  -8.187
  184    H2     A  79           H2         A  79 -21.675   3.191 -11.247
  185   1H2*    A  79          1H2*        A  79 -22.242  -2.078 -10.065
  186   2H2*    A  79          2H2*        A  79 -21.471  -2.285 -11.662
  187   1H5*    A  80          1H5*        A  80 -19.870  -3.508 -13.044
  188   2H5*    A  80          2H5*        A  80 -18.282  -4.198 -12.659
  189    H4*    A  80           H4*        A  80 -18.168  -1.752 -13.399
  190    H3*    A  80           H3*        A  80 -17.244  -2.494 -10.598
  191    H1*    A  80           H1*        A  80 -18.776   0.835 -11.874
  192    H8     A  80           H8         A  80 -19.903  -1.901  -9.441
  193   1H6     A  80          1H6         A  80 -22.430   2.993  -6.374
  194   2H6     A  80          2H6         A  80 -22.426   1.229  -6.394
  195    H2     A  80           H2         A  80 -19.743   4.538  -9.321
  196   1H2*    A  80          1H2*        A  80 -16.947  -0.286 -10.160
  197   2H2*    A  80          2H2*        A  80 -16.728   0.165 -11.871
  198   1H5*    A  81          1H5*        A  81 -14.649   0.374 -12.614
  199   2H5*    A  81          2H5*        A  81 -12.930   0.126 -12.276
  200    H4*    A  81           H4*        A  81 -13.680   2.429 -11.620
  201    H3*    A  81           H3*        A  81 -12.573   0.465  -9.682
  202    H1*    A  81           H1*        A  81 -15.035   3.469  -9.195
  203    H8     A  81           H8         A  81 -15.717  -0.257  -8.555
  204   1H6     A  81          1H6         A  81 -20.024   1.960  -4.527
  205   2H6     A  81          2H6         A  81 -19.309   0.442  -5.090
  206    H2     A  81           H2         A  81 -18.139   5.304  -6.413
  207   1H2*    A  81          1H2*        A  81 -13.581   1.242  -7.894
  208   2H2*    A  81          2H2*        A  81 -13.108   2.924  -8.255
  209   1H5*    C  82          1H5*        C  82 -11.555   4.942  -9.043
  210   2H5*    C  82          2H5*        C  82  -9.907   5.186  -8.441
  211    H4*    C  82           H4*        C  82 -11.425   6.426  -7.020
  212    H3*    C  82           H3*        C  82 -10.138   3.993  -5.862
  213    H1*    C  82           H1*        C  82 -13.424   5.884  -5.016
  214   1H4     C  82          1H4         C  82 -17.413   1.410  -3.071
  215   2H4     C  82          2H4         C  82 -16.303   0.227  -3.648
  216    H5     C  82           H5         C  82 -14.460   0.708  -5.151
  217    H6     C  82           H6         C  82 -13.046   2.427  -6.022
  218   1H2*    C  82          1H2*        C  82 -11.613   3.692  -4.231
  219   2H2*    C  82          2H2*        C  82 -11.610   5.423  -3.781
  220   1H5*    G  83          1H5*        G  83  -9.906   7.988  -3.254
  221   2H5*    G  83          2H5*        G  83  -8.355   7.936  -2.403
  222    H4*    G  83           H4*        G  83 -10.100   8.799  -0.985
  223    H3*    G  83           H3*        G  83  -8.303   7.155  -0.059
  224    H1*    G  83           H1*        G  83 -12.022   6.321   0.643
  225    H8     G  83           H8         G  83 -10.147   3.912  -1.733
  226    H1     G  83           H1         G  83 -15.868   1.818   0.399
  227   1H2     G  83          1H2         G  83 -16.477   3.151   2.066
  228   2H2     G  83          2H2         G  83 -15.678   4.702   2.298
  229   1H2*    G  83          1H2*        G  83  -9.405   5.155  -0.309
  230   2H2*    G  83          2H2*        G  83  -9.971   5.480   1.330
  231   1H5*    T  84          1H5*        T  84 -11.889   7.572   3.351
  232   2H5*    T  84          2H5*        T  84 -10.886   8.194   4.686
  233    H4*    T  84           H4*        T  84 -12.448   6.566   5.587
  234    H3*    T  84           H3*        T  84  -9.664   6.436   5.999
  235   1H2*    T  84          1H2*        T  84  -9.286   4.658   4.527
  236   2H2*    T  84          2H2*        T  84  -9.621   3.702   5.998
  237    H1*    T  84           H1*        T  84 -11.919   3.467   5.468
  238    H3     T  84           H3         T  84 -13.188   0.724   2.052
  239   1H5M    T  84          1H5M        T  84  -8.753   2.402   0.211
  240   2H5M    T  84          2H5M        T  84  -7.980   1.625   1.616
  241   3H5M    T  84          3H5M        T  84  -8.858   0.648   0.438
  242    H6     T  84           H6         T  84  -9.224   3.310   2.928
  243   1H5*    G  85          1H5*        G  85 -12.778   5.110   9.522
  244   2H5*    G  85          2H5*        G  85 -11.889   5.088  11.057
  245    H4*    G  85           H4*        G  85 -13.530   3.317  11.181
  246    H3*    G  85           H3*        G  85 -10.720   2.363  10.663
  247    H1*    G  85           H1*        G  85 -13.919   0.638   9.233
  248    H8     G  85           H8         G  85 -10.609   2.303   8.193
  249    H1     G  85           H1         G  85 -12.534  -2.541   4.416
  250   1H2     G  85          1H2         G  85 -14.225  -3.592   5.451
  251   2H2     G  85          2H2         G  85 -14.902  -2.928   6.938
  252   1H2*    G  85          1H2*        G  85 -11.370   0.224  10.273
  253   2H2*    G  85          2H2*        G  85 -12.882   0.367  11.226
  254   1H5*    C  86          1H5*        C  86 -12.730  -0.312  13.438
  255   2H5*    C  86          2H5*        C  86 -11.750  -0.583  14.882
  256    H4*    C  86           H4*        C  86 -12.653  -2.686  14.023
  257    H3*    C  86           H3*        C  86  -9.824  -2.195  14.416
  258    H1*    C  86           H1*        C  86 -11.490  -4.451  11.607
  259   1H4     C  86          1H4         C  86  -9.057  -2.456   6.044
  260   2H4     C  86          2H4         C  86  -8.652  -0.938   6.777
  261    H5     C  86           H5         C  86  -8.981  -0.366   9.027
  262    H6     C  86           H6         C  86  -9.730  -1.213  11.216
  263   1H2*    C  86          1H2*        C  86  -9.011  -3.057  12.527
  264   2H2*    C  86          2H2*        C  86  -9.679  -4.637  12.959
  265   1H5*    C  87          1H5*        C  87 -11.297  -6.614  14.651
  266   2H5*    C  87          2H5*        C  87 -10.367  -7.619  15.773
  267    H4*    C  87           H4*        C  87 -10.617  -8.752  13.623
  268    H3*    C  87           H3*        C  87  -7.802  -7.757  14.168
  269    H1*    C  87           H1*        C  87  -9.623  -8.338  10.780
  270   1H4     C  87          1H4         C  87  -6.771  -3.523   7.972
  271   2H4     C  87          2H4         C  87  -6.245  -2.868   9.509
  272    H5     C  87           H5         C  87  -6.497  -3.939  11.514
  273    H6     C  87           H6         C  87  -7.542  -5.869  12.710
  274   1H2*    C  87          1H2*        C  87  -7.149  -8.727  12.099
  275   2H2*    C  87          2H2*        C  87  -8.563  -9.811  12.071
  276   1H5*    A  88          1H5*        A  88  -7.905 -11.742  12.882
  277   2H5*    A  88          2H5*        A  88  -6.853 -12.891  13.697
  278    H4*    A  88           H4*        A  88  -6.694 -12.842  11.196
  279    H3*    A  88           H3*        A  88  -4.602 -13.207  13.006
  280    H1*    A  88           H1*        A  88  -4.292 -10.873   9.861
  281    H8     A  88           H8         A  88  -4.896  -9.039  13.260
  282   1H6     A  88          1H6         A  88  -2.575  -4.088  10.205
  283   2H6     A  88          2H6         A  88  -3.293  -4.578  11.741
  284    H2     A  88           H2         A  88  -2.541  -7.391   7.469
  285   1H2*    A  88          1H2*        A  88  -3.651 -11.111  12.808
  286   2H2*    A  88          2H2*        A  88  -2.820 -11.839  11.413
  287   1H5*    A  89          1H5*        A  89  -4.291 -13.217   8.535
  288   2H5*    A  89          2H5*        A  89  -3.645 -14.744   7.925
  289    H4*    A  89           H4*        A  89  -3.306 -12.893   6.358
  290    H3*    A  89           H3*        A  89  -1.358 -14.746   7.053
  291    H1*    A  89           H1*        A  89  -0.626 -10.996   6.676
  292    H8     A  89           H8         A  89  -0.660 -12.172  10.400
  293   1H6     A  89          1H6         A  89   1.558  -6.392  11.463
  294   2H6     A  89          2H6         A  89   1.145  -7.908  12.272
  295    H2     A  89           H2         A  89   0.766  -6.737   7.241
  296   1H2*    A  89          1H2*        A  89  -0.153 -13.379   8.493
  297   2H2*    A  89          2H2*        A  89   0.677 -12.933   6.980
  298   1H5*    A  90          1H5*        A  90  -0.194 -11.490   3.993
  299   2H5*    A  90          2H5*        A  90   0.579 -12.193   2.567
  300    H4*    A  90           H4*        A  90   1.571 -10.047   3.069
  301    H3*    A  90           H3*        A  90   3.136 -12.447   2.887
  302    H1*    A  90           H1*        A  90   3.703  -9.295   4.985
  303    H8     A  90           H8         A  90   2.717 -12.325   7.242
  304   1H6     A  90          1H6         A  90   4.545  -8.469  11.858
  305   2H6     A  90          2H6         A  90   3.791 -10.037  11.568
  306    H2     A  90           H2         A  90   5.533  -6.593   8.113
  307   1H2*    A  90          1H2*        A  90   3.911 -12.337   5.071
  308   2H2*    A  90          2H2*        A  90   5.079 -11.171   4.389
  309   1H5*    A  91          1H5*        A  91   4.723  -8.078   1.856
  310   2H5*    A  91          2H5*        A  91   5.890  -8.161   0.529
  311    H4*    A  91           H4*        A  91   6.423  -6.324   2.053
  312    H3*    A  91           H3*        A  91   8.311  -8.605   1.714
  313    H1*    A  91           H1*        A  91   7.715  -6.382   4.957
  314    H8     A  91           H8         A  91   7.228 -10.144   4.314
  315   1H6     A  91          1H6         A  91   7.685 -10.306  10.612
  316   2H6     A  91          2H6         A  91   7.383 -11.377   9.238
  317    H2     A  91           H2         A  91   8.653  -6.354   9.321
  318    H3T    A  91           H3T        A  91   9.473  -7.033   0.746
  319   1H2*    A  91          1H2*        A  91   9.458  -8.313   3.646
  320   2H2*    A  91          2H2*        A  91   9.432  -6.535   3.501
  321   1H    HIS   1          1H        HIS   1 -16.672   8.963  -4.257
  322   2H    HIS   1          2H        HIS   1 -15.982   8.562  -2.822
  323   3H    HIS   1          3H        HIS   1 -16.272   7.398  -3.937
  324    HA   HIS   1           HA       HIS   1 -13.957   7.900  -3.903
  325   2HB   HIS   1          2HB       HIS   1 -14.902   7.202  -6.031
  326    HD1  HIS   1           HD1      HIS   1 -14.293  10.764  -7.336
  327    HD2  HIS   1           HD2      HIS   1 -17.360   7.900  -6.857
  328    HE1  HIS   1           HE1      HIS   1 -16.271  11.602  -8.701
  329    H    MET   2           H        MET   2 -12.480   9.255  -3.220
  330    HA   MET   2           HA       MET   2 -13.049  12.133  -2.923
  331   2HB   MET   2          2HB       MET   2 -10.600  10.488  -2.189
  332   2HG   MET   2          2HG       MET   2 -10.089  12.890  -2.289
  333   1HE   MET   2          1HE       MET   2 -10.098  15.372  -1.564
  334   2HE   MET   2          2HE       MET   2 -11.101  16.012  -0.242
  335   3HE   MET   2          3HE       MET   2  -9.866  14.778   0.096
  336    H    LEU   3           H        LEU   3 -10.484  10.160  -4.498
  337    HA   LEU   3           HA       LEU   3  -9.497  12.525  -5.972
  338   2HB   LEU   3          2HB       LEU   3  -7.457  10.956  -6.133
  339    HG   LEU   3           HG       LEU   3  -8.266  11.579  -3.268
  340   1HD1  LEU   3          1HD1      LEU   3  -6.352  10.311  -3.155
  341   2HD1  LEU   3          2HD1      LEU   3  -5.653  10.932  -4.693
  342   3HD1  LEU   3          3HD1      LEU   3  -5.680  11.916  -3.213
  343   1HD2  LEU   3          1HD2      LEU   3  -8.486  13.670  -4.444
  344   2HD2  LEU   3          2HD2      LEU   3  -6.936  13.695  -3.611
  345   3HD2  LEU   3          3HD2      LEU   3  -7.000  13.363  -5.359
  346    H    THR   4           H        THR   4  -8.193  11.824  -7.925
  347    HA   THR   4           HA       THR   4 -10.071  10.917  -9.992
  348    HB   THR   4           HB       THR   4  -8.297  11.474 -11.592
  349    HG1  THR   4           HG1      THR   4  -6.398  12.424 -10.708
  350   1HG2  THR   4          1HG2      THR   4  -9.727  13.290 -10.858
  351   2HG2  THR   4          2HG2      THR   4  -8.645  13.640  -9.502
  352   3HG2  THR   4          3HG2      THR   4  -8.080  13.861 -11.172
  353    H    GLN   5           H        GLN   5  -8.621   9.647 -11.854
  354    HA   GLN   5           HA       GLN   5  -8.635   6.927 -11.289
  355   2HB   GLN   5          2HB       GLN   5  -8.613   7.962 -13.512
  356   2HG   GLN   5          2HG       GLN   5  -5.610   8.320 -13.123
  357   1HE2  GLN   5          1HE2      GLN   5  -7.914   9.912 -15.386
  358   2HE2  GLN   5          2HE2      GLN   5  -7.130   9.254 -16.821
  359    HN2  GLY   6           HN2      GLY   6  -6.023   9.187 -10.474
  360   1HA   GLY   6          1HA       GLY   6  -5.002   7.313  -8.595
  361   2HA   GLY   6          2HA       GLY   6  -3.940   7.339 -10.012
  362    H    GLU   7           H        GLU   7  -5.660  10.115  -8.289
  363    HA   GLU   7           HA       GLU   7  -3.500  11.845  -8.592
  364   2HB   GLU   7          2HB       GLU   7  -5.109  12.487  -6.268
  365   2HG   GLU   7          2HG       GLU   7  -5.140  13.584  -9.106
  366    H    LEU   8           H        LEU   8  -3.886   9.339  -6.283
  367    HA   LEU   8           HA       LEU   8  -1.469  10.294  -4.784
  368   2HB   LEU   8          2HB       LEU   8  -3.590   9.998  -3.514
  369    HG   LEU   8           HG       LEU   8  -3.948   7.610  -4.821
  370   1HD1  LEU   8          1HD1      LEU   8  -2.909   6.974  -2.017
  371   2HD1  LEU   8          2HD1      LEU   8  -3.572   5.796  -3.142
  372   3HD1  LEU   8          3HD1      LEU   8  -2.014   6.572  -3.503
  373   1HD2  LEU   8          1HD2      LEU   8  -5.808   8.364  -3.833
  374   2HD2  LEU   8          2HD2      LEU   8  -5.458   7.002  -2.766
  375   3HD2  LEU   8          3HD2      LEU   8  -5.033   8.647  -2.263
  376    H    MET   9           H        MET   9  -2.452   8.071  -7.153
  377    HA   MET   9           HA       MET   9  -0.752   5.802  -6.403
  378   2HB   MET   9          2HB       MET   9  -2.984   6.264  -8.202
  379   2HG   MET   9          2HG       MET   9  -0.636   4.809  -9.364
  380   1HE   MET   9          1HE       MET   9  -1.598   4.973 -12.404
  381   2HE   MET   9          2HE       MET   9  -0.820   3.519 -11.737
  382   3HE   MET   9          3HE       MET   9  -2.343   3.377 -12.638
  383    H    LYS  10           H        LYS  10  -0.787   8.143  -9.069
  384    HA   LYS  10           HA       LYS  10   1.829   7.251 -10.048
  385   2HB   LYS  10          2HB       LYS  10   0.073   7.811 -11.576
  386   2HG   LYS  10          2HG       LYS  10   0.260  10.759 -11.213
  387   2HD   LYS  10          2HD       LYS  10  -2.168   8.957 -11.619
  388   2HE   LYS  10          2HE       LYS  10  -2.616  11.266 -10.820
  389   1HZ   LYS  10          1HZ       LYS  10  -0.848  12.459 -12.002
  390   2HZ   LYS  10          2HZ       LYS  10  -1.490  12.057 -13.455
  391   3HZ   LYS  10          3HZ       LYS  10  -2.300  13.053 -12.450
  392    H    LEU  11           H        LEU  11   1.568   8.495  -7.381
  393    HA   LEU  11           HA       LEU  11   3.583  10.695  -7.417
  394   2HB   LEU  11          2HB       LEU  11   2.354  11.540  -5.383
  395    HG   LEU  11           HG       LEU  11   0.462  12.636  -6.342
  396   1HD1  LEU  11          1HD1      LEU  11   2.686  12.457  -8.406
  397   2HD1  LEU  11          2HD1      LEU  11   1.520  13.785  -8.224
  398   3HD1  LEU  11          3HD1      LEU  11   2.714  13.468  -6.943
  399   1HD2  LEU  11          1HD2      LEU  11   0.818  11.175  -8.946
  400   2HD2  LEU  11          2HD2      LEU  11  -0.278  10.533  -7.710
  401   3HD2  LEU  11          3HD2      LEU  11  -0.556  12.140  -8.417
  402    H    ILE  12           H        ILE  12   2.136   7.902  -5.597
  403    HA   ILE  12           HA       ILE  12   3.965   8.181  -3.383
  404    HB   ILE  12           HB       ILE  12   3.440   5.751  -2.954
  405   2HG1  ILE  12          2HG1      ILE  12   2.515   5.608  -5.559
  406   1HG2  ILE  12          1HG2      ILE  12   1.253   7.841  -3.044
  407   2HG2  ILE  12          2HG2      ILE  12   1.069   6.264  -2.264
  408   3HG2  ILE  12          3HG2      ILE  12   2.310   7.409  -1.694
  409   1HD1  ILE  12          1HD1      ILE  12   1.387   3.485  -4.797
  410   2HD1  ILE  12          2HD1      ILE  12   3.041   3.663  -4.191
  411   3HD1  ILE  12          3HD1      ILE  12   1.644   3.983  -3.123
  412    H    LYS  13           H        LYS  13   4.244   6.540  -6.470
  413    HA   LYS  13           HA       LYS  13   6.823   5.251  -5.660
  414   2HB   LYS  13          2HB       LYS  13   5.306   4.001  -7.042
  415   2HG   LYS  13          2HG       LYS  13   4.438   6.024  -8.444
  416   2HD   LYS  13          2HD       LYS  13   6.632   6.659  -9.555
  417   2HE   LYS  13          2HE       LYS  13   6.245   3.942 -10.893
  418   1HZ   LYS  13          1HZ       LYS  13   8.200   4.598 -12.158
  419   2HZ   LYS  13          2HZ       LYS  13   8.235   6.069 -11.459
  420   3HZ   LYS  13          3HZ       LYS  13   6.993   5.658 -12.442
  421    H    GLU  14           H        GLU  14   5.950   8.206  -6.805
  422    HA   GLU  14           HA       GLU  14   8.322   8.705  -8.538
  423   2HB   GLU  14          2HB       GLU  14   5.835  10.424  -8.161
  424   2HG   GLU  14          2HG       GLU  14   7.989  10.319 -10.320
  425    H    ILE  15           H        ILE  15   7.110   9.439  -5.353
  426    HA   ILE  15           HA       ILE  15   9.340  11.377  -4.962
  427    HB   ILE  15           HB       ILE  15   8.347  12.039  -2.923
  428   2HG1  ILE  15          2HG1      ILE  15   6.599   9.650  -3.249
  429   1HG2  ILE  15          1HG2      ILE  15   6.412  13.231  -3.744
  430   2HG2  ILE  15          2HG2      ILE  15   7.643  13.146  -5.017
  431   3HG2  ILE  15          3HG2      ILE  15   6.213  12.094  -5.089
  432   1HD1  ILE  15          1HD1      ILE  15   6.501   9.825  -0.811
  433   2HD1  ILE  15          2HD1      ILE  15   8.187  10.020  -1.349
  434   3HD1  ILE  15          3HD1      ILE  15   7.237  11.438  -0.861
  435    H    VAL  16           H        VAL  16   7.857   8.343  -3.563
  436    HA   VAL  16           HA       VAL  16   9.906   8.087  -1.657
  437    HB   VAL  16           HB       VAL  16   8.207   5.858  -2.861
  438   1HG1  VAL  16          1HG1      VAL  16   8.742   4.765  -0.603
  439   2HG1  VAL  16          2HG1      VAL  16  10.062   4.833  -1.772
  440   3HG1  VAL  16          3HG1      VAL  16  10.028   6.000  -0.447
  441   1HG2  VAL  16          1HG2      VAL  16   6.876   7.655  -1.715
  442   2HG2  VAL  16          2HG2      VAL  16   6.846   6.120  -0.852
  443   3HG2  VAL  16          3HG2      VAL  16   7.872   7.447  -0.270
  444    H    GLU  17           H        GLU  17   9.787   6.905  -5.016
  445    HA   GLU  17           HA       GLU  17  12.344   5.410  -4.546
  446   2HB   GLU  17          2HB       GLU  17  12.203   4.642  -6.840
  447   2HG   GLU  17          2HG       GLU  17  10.027   3.459  -6.863
  448    H    ASN  18           H        ASN  18  11.712   8.582  -4.836
  449    HA   ASN  18           HA       ASN  18  14.161   9.183  -6.369
  450   2HB   ASN  18          2HB       ASN  18  11.961  11.195  -5.964
  451   1HD2  ASN  18          1HD2      ASN  18  13.371   9.287  -8.618
  452   2HD2  ASN  18          2HD2      ASN  18  14.099  10.664  -9.445
  453    H    GLU  19           H        GLU  19  12.843   9.277  -3.219
  454    HA   GLU  19           HA       GLU  19  14.321  11.714  -2.382
  455   2HB   GLU  19          2HB       GLU  19  13.244  11.074  -0.123
  456   2HG   GLU  19          2HG       GLU  19  10.917  11.685  -0.786
  457    H    ASP  20           H        ASP  20  14.107   8.817  -0.365
  458    HA   ASP  20           HA       ASP  20  17.060   8.569  -0.553
  459   2HB   ASP  20          2HB       ASP  20  15.675   8.332   2.110
  460    H    LYS  21           H        LYS  21  17.053   6.875  -1.723
  461    HA   LYS  21           HA       LYS  21  15.759   4.340  -1.346
  462   2HB   LYS  21          2HB       LYS  21  17.686   3.434  -2.662
  463   2HG   LYS  21          2HG       LYS  21  16.538   6.044  -3.750
  464   2HD   LYS  21          2HD       LYS  21  17.588   3.567  -5.182
  465   2HE   LYS  21          2HE       LYS  21  16.440   6.205  -6.207
  466   1HZ   LYS  21          1HZ       LYS  21  16.732   5.166  -8.373
  467   2HZ   LYS  21          2HZ       LYS  21  17.434   3.849  -7.713
  468   3HZ   LYS  21          3HZ       LYS  21  18.186   5.299  -7.643
  469    H    ARG  22           H        ARG  22  18.196   5.777   0.627
  470    HA   ARG  22           HA       ARG  22  18.739   3.224   2.071
  471   2HB   ARG  22          2HB       ARG  22  20.569   4.310   3.111
  472   2HG   ARG  22          2HG       ARG  22  20.654   3.750   0.478
  473   2HD   ARG  22          2HD       ARG  22  21.467   6.684   0.669
  474    HE   ARG  22           HE       ARG  22  22.396   4.680  -1.124
  475   1HH1  ARG  22          1HH1      ARG  22  21.103   7.921  -1.334
  476   2HH1  ARG  22          2HH1      ARG  22  21.940   8.255  -2.832
  477   1HH2  ARG  22          1HH2      ARG  22  23.421   5.149  -3.020
  478   2HH2  ARG  22          2HH2      ARG  22  23.210   6.714  -3.760
  479    H    LYS  23           H        LYS  23  16.656   5.914   2.314
  480    HA   LYS  23           HA       LYS  23  15.783   4.982   5.008
  481   2HB   LYS  23          2HB       LYS  23  15.431   7.302   5.790
  482   2HG   LYS  23          2HG       LYS  23  18.369   6.792   5.164
  483   2HD   LYS  23          2HD       LYS  23  18.711   7.870   7.381
  484   2HE   LYS  23          2HE       LYS  23  17.231   9.638   5.383
  485   1HZ   LYS  23          1HZ       LYS  23  19.288  10.327   7.409
  486   2HZ   LYS  23          2HZ       LYS  23  17.708  10.726   7.515
  487   3HZ   LYS  23          3HZ       LYS  23  18.638  11.361   6.331
  488    HA   PRO  24           HA       PRO  24  12.415   5.483   1.853
  489   2HB   PRO  24          2HB       PRO  24  12.624   3.243   1.273
  490   2HG   PRO  24          2HG       PRO  24  13.249   1.596   2.899
  491   2HD   PRO  24          2HD       PRO  24  14.934   3.161   2.905
  492    H    TYR  25           H        TYR  25  10.099   5.668   2.108
  493    HA   TYR  25           HA       TYR  25   9.150   6.420   4.809
  494   2HB   TYR  25          2HB       TYR  25   7.147   7.206   3.666
  495    HD1  TYR  25           HD1      TYR  25   9.813   7.544   1.055
  496    HD2  TYR  25           HD2      TYR  25   7.698   9.381   4.324
  497    HE1  TYR  25           HE1      TYR  25  10.871   9.688   0.484
  498    HE2  TYR  25           HE2      TYR  25   8.821  11.557   3.810
  499    HH   TYR  25           HH       TYR  25  11.103  11.938   1.106
  500    H    SER  26           H        SER  26   6.603   5.717   4.966
  501    HA   SER  26           HA       SER  26   6.264   2.808   4.442
  502   2HB   SER  26          2HB       SER  26   7.027   3.057   6.800
  503    HG   SER  26           HG       SER  26   5.742   4.161   8.239
  504    H    ASP  27           H        ASP  27   3.878   2.212   4.661
  505    HA   ASP  27           HA       ASP  27   2.199   3.952   3.273
  506   2HB   ASP  27          2HB       ASP  27   1.760   1.645   3.324
  507    H    GLN  28           H        GLN  28   2.711   3.995   6.817
  508    HA   GLN  28           HA       GLN  28   0.626   5.972   7.288
  509   2HB   GLN  28          2HB       GLN  28   3.068   5.075   8.853
  510   2HG   GLN  28          2HG       GLN  28   2.669   7.383   9.501
  511   1HE2  GLN  28          1HE2      GLN  28   0.922   8.579   8.313
  512   2HE2  GLN  28          2HE2      GLN  28  -0.673   8.660   9.054
  513    H    GLU  29           H        GLU  29   4.249   6.229   6.815
  514    HA   GLU  29           HA       GLU  29   4.213   9.053   7.125
  515   2HB   GLU  29          2HB       GLU  29   6.469   8.865   6.051
  516   2HG   GLU  29          2HG       GLU  29   6.040   6.903   8.327
  517    H    ILE  30           H        ILE  30   4.149   7.129   4.066
  518    HA   ILE  30           HA       ILE  30   3.983   9.484   2.414
  519    HB   ILE  30           HB       ILE  30   3.267   8.142   0.619
  520   2HG1  ILE  30          2HG1      ILE  30   1.632   6.710   1.470
  521   1HG2  ILE  30          1HG2      ILE  30   5.178   6.766   0.421
  522   2HG2  ILE  30          2HG2      ILE  30   5.659   8.143   1.414
  523   3HG2  ILE  30          3HG2      ILE  30   5.328   6.565   2.175
  524   1HD1  ILE  30          1HD1      ILE  30   3.051   5.590  -0.314
  525   2HD1  ILE  30          2HD1      ILE  30   3.916   4.768   1.008
  526   3HD1  ILE  30          3HD1      ILE  30   2.201   4.466   0.757
  527    H    ALA  31           H        ALA  31   1.451   7.703   4.172
  528    HA   ALA  31           HA       ALA  31  -0.744   9.088   2.855
  529   1HB   ALA  31          1HB       ALA  31  -0.485   7.733   5.584
  530   2HB   ALA  31          2HB       ALA  31  -2.005   8.432   4.985
  531   3HB   ALA  31          3HB       ALA  31  -1.252   7.093   4.121
  532    H    ASN  32           H        ASN  32   1.357   9.919   5.553
  533    HA   ASN  32           HA       ASN  32  -0.146  12.173   6.525
  534   2HB   ASN  32          2HB       ASN  32   2.769  11.370   6.835
  535   1HD2  ASN  32          1HD2      ASN  32   4.062  12.939   7.737
  536   2HD2  ASN  32          2HD2      ASN  32   3.441  14.271   8.706
  537    H    ILE  33           H        ILE  33   2.809  12.075   4.519
  538    HA   ILE  33           HA       ILE  33   2.984  14.924   4.172
  539    HB   ILE  33           HB       ILE  33   3.932  12.845   2.200
  540   2HG1  ILE  33          2HG1      ILE  33   4.740  13.007   4.944
  541   1HG2  ILE  33          1HG2      ILE  33   4.172  14.979   1.241
  542   2HG2  ILE  33          2HG2      ILE  33   4.883  15.673   2.719
  543   3HG2  ILE  33          3HG2      ILE  33   5.780  14.477   1.747
  544   1HD1  ILE  33          1HD1      ILE  33   6.363  11.887   2.641
  545   2HD1  ILE  33          2HD1      ILE  33   6.199  11.264   4.321
  546   3HD1  ILE  33          3HD1      ILE  33   4.838  11.182   3.189
  547    H    LEU  34           H        LEU  34   1.202  12.501   2.385
  548    HA   LEU  34           HA       LEU  34   0.377  14.097   0.111
  549   2HB   LEU  34          2HB       LEU  34  -1.511  12.205   0.279
  550    HG   LEU  34           HG       LEU  34  -0.123  11.992  -1.569
  551   1HD1  LEU  34          1HD1      LEU  34   2.267  11.573   0.258
  552   2HD1  LEU  34          2HD1      LEU  34   2.277  11.338  -1.503
  553   3HD1  LEU  34          3HD1      LEU  34   1.959  12.942  -0.835
  554   1HD2  LEU  34          1HD2      LEU  34   0.600   9.644  -1.582
  555   2HD2  LEU  34          2HD2      LEU  34   0.488   9.587   0.191
  556   3HD2  LEU  34          3HD2      LEU  34  -0.965   9.836  -0.783
  557    H    LYS  35           H        LYS  35  -0.616  14.060   3.394
  558    HA   LYS  35           HA       LYS  35  -3.222  15.377   2.781
  559   2HB   LYS  35          2HB       LYS  35  -2.473  13.725   4.804
  560   2HG   LYS  35          2HG       LYS  35  -2.763  16.426   6.161
  561   2HD   LYS  35          2HD       LYS  35  -1.602  13.795   7.158
  562   2HE   LYS  35          2HE       LYS  35  -2.206  14.758   9.406
  563   1HZ   LYS  35          1HZ       LYS  35  -0.408  16.363   9.482
  564   2HZ   LYS  35          2HZ       LYS  35   0.049  15.067   8.595
  565   3HZ   LYS  35          3HZ       LYS  35  -0.354  16.473   7.851
  566    H    GLU  36           H        GLU  36   0.001  16.381   3.064
  567    HA   GLU  36           HA       GLU  36  -0.623  19.064   4.164
  568   2HB   GLU  36          2HB       GLU  36   1.757  19.490   3.930
  569   2HG   GLU  36          2HG       GLU  36   1.433  16.701   5.095
  570    H    LYS  37           H        LYS  37  -0.636  17.538   1.072
  571    HA   LYS  37           HA       LYS  37  -0.371  20.208  -0.291
  572   2HB   LYS  37          2HB       LYS  37   1.645  19.002  -0.533
  573   2HG   LYS  37          2HG       LYS  37   0.041  16.807  -1.881
  574   2HD   LYS  37          2HD       LYS  37   2.488  17.305  -2.621
  575   2HE   LYS  37          2HE       LYS  37   3.029  15.943   0.042
  576   1HZ   LYS  37          1HZ       LYS  37   4.854  17.330  -1.853
  577   2HZ   LYS  37          2HZ       LYS  37   5.315  16.631  -0.455
  578   3HZ   LYS  37          3HZ       LYS  37   4.749  15.707  -1.678
  579    HN2  GLY  38           HN2      GLY  38  -2.285  17.166  -0.353
  580   1HA   GLY  38          1HA       GLY  38  -4.506  18.702  -0.410
  581   2HA   GLY  38          2HA       GLY  38  -4.186  18.593  -2.139
  582    H    PHE  39           H        PHE  39  -3.210  15.645  -0.693
  583    HA   PHE  39           HA       PHE  39  -5.414  14.439  -2.152
  584   2HB   PHE  39          2HB       PHE  39  -4.082  12.392  -1.924
  585    HD1  PHE  39           HD2      PHE  39  -4.251  13.470  -4.345
  586    HD2  PHE  39           HD1      PHE  39  -1.059  14.274  -1.508
  587    HE1  PHE  39           HE2      PHE  39  -2.913  14.492  -6.115
  588    HE2  PHE  39           HE1      PHE  39   0.302  15.205  -3.346
  589    HZ   PHE  39           HZ       PHE  39  -0.621  15.367  -5.652
  590    H    LYS  40           H        LYS  40  -4.432  14.873   1.083
  591    HA   LYS  40           HA       LYS  40  -4.715  13.680   3.076
  592   2HB   LYS  40          2HB       LYS  40  -5.960  15.659   3.311
  593   2HG   LYS  40          2HG       LYS  40  -7.922  14.373   1.466
  594   2HD   LYS  40          2HD       LYS  40  -9.665  16.051   2.265
  595   2HE   LYS  40          2HE       LYS  40  -8.917  13.718   4.082
  596   1HZ   LYS  40          1HZ       LYS  40 -10.592  15.175   5.095
  597   2HZ   LYS  40          2HZ       LYS  40 -11.532  15.089   3.760
  598   3HZ   LYS  40          3HZ       LYS  40 -11.267  13.754   4.662
  599    H    VAL  41           H        VAL  41  -4.489  11.769   1.444
  600    HA   VAL  41           HA       VAL  41  -6.694   9.788   1.689
  601    HB   VAL  41           HB       VAL  41  -5.685   9.681  -0.407
  602   1HG1  VAL  41          1HG1      VAL  41  -2.982   9.441   0.975
  603   2HG1  VAL  41          2HG1      VAL  41  -3.274   9.212  -0.758
  604   3HG1  VAL  41          3HG1      VAL  41  -3.550  10.792  -0.037
  605   1HG2  VAL  41          1HG2      VAL  41  -4.721   7.371  -0.492
  606   2HG2  VAL  41          2HG2      VAL  41  -4.510   7.388   1.235
  607   3HG2  VAL  41          3HG2      VAL  41  -6.144   7.454   0.539
  608    H    ALA  42           H        ALA  42  -6.586   7.996   3.045
  609    HA   ALA  42           HA       ALA  42  -4.914   8.124   5.434
  610   1HB   ALA  42          1HB       ALA  42  -7.391   7.769   5.546
  611   2HB   ALA  42          2HB       ALA  42  -7.161   6.208   4.718
  612   3HB   ALA  42          3HB       ALA  42  -6.455   6.478   6.316
  613    H    ARG  43           H        ARG  43  -4.118   6.079   6.261
  614    HA   ARG  43           HA       ARG  43  -2.117   4.960   4.551
  615   2HB   ARG  43          2HB       ARG  43  -2.989   4.441   7.407
  616   2HG   ARG  43          2HG       ARG  43  -0.544   3.395   7.455
  617   2HD   ARG  43          2HD       ARG  43  -3.200   2.109   6.985
  618    HE   ARG  43           HE       ARG  43  -0.691   0.722   6.311
  619   1HH1  ARG  43          1HH1      ARG  43  -3.923   0.103   7.404
  620   2HH1  ARG  43          2HH1      ARG  43  -3.931  -1.488   6.681
  621   1HH2  ARG  43          1HH2      ARG  43  -0.792  -1.044   5.317
  622   2HH2  ARG  43          2HH2      ARG  43  -2.252  -2.053   5.274
  623    H    ARG  44           H        ARG  44  -5.342   3.897   5.034
  624    HA   ARG  44           HA       ARG  44  -4.899   1.011   4.651
  625   2HB   ARG  44          2HB       ARG  44  -7.468   1.265   4.096
  626   2HG   ARG  44          2HG       ARG  44  -6.401   0.349   6.251
  627   2HD   ARG  44          2HD       ARG  44  -7.340   3.039   7.345
  628    HE   ARG  44           HE       ARG  44  -6.171   0.625   8.717
  629   1HH1  ARG  44          1HH1      ARG  44  -8.198   3.548   9.132
  630   2HH1  ARG  44          2HH1      ARG  44  -8.571   2.998  10.755
  631   1HH2  ARG  44          1HH2      ARG  44  -6.746   0.186  10.795
  632   2HH2  ARG  44          2HH2      ARG  44  -7.882   1.271  11.589
  633    H    THR  45           H        THR  45  -5.642   3.808   2.560
  634    HA   THR  45           HA       THR  45  -6.203   2.285   0.213
  635    HB   THR  45           HB       THR  45  -5.646   5.245   0.718
  636    HG1  THR  45           HG1      THR  45  -7.526   5.479   1.587
  637   1HG2  THR  45          1HG2      THR  45  -7.460   3.904  -1.309
  638   2HG2  THR  45          2HG2      THR  45  -7.128   5.645  -1.150
  639   3HG2  THR  45          3HG2      THR  45  -5.840   4.553  -1.662
  640    H    VAL  46           H        VAL  46  -3.713   4.492   1.472
  641    HA   VAL  46           HA       VAL  46  -2.238   4.553  -0.868
  642    HB   VAL  46           HB       VAL  46  -2.293   6.047   1.325
  643   1HG1  VAL  46          1HG1      VAL  46   0.257   4.456   1.793
  644   2HG1  VAL  46          2HG1      VAL  46  -0.269   5.910   2.625
  645   3HG1  VAL  46          3HG1      VAL  46  -1.191   4.398   2.793
  646   1HG2  VAL  46          1HG2      VAL  46   0.276   5.770  -0.265
  647   2HG2  VAL  46          2HG2      VAL  46  -1.163   6.594  -0.872
  648   3HG2  VAL  46          3HG2      VAL  46  -0.347   7.232   0.545
  649    H    ALA  47           H        ALA  47  -2.222   2.295   1.804
  650    HA   ALA  47           HA       ALA  47   0.259   1.001   1.369
  651   1HB   ALA  47          1HB       ALA  47  -1.033   0.802   3.462
  652   2HB   ALA  47          2HB       ALA  47  -2.378   0.051   2.598
  653   3HB   ALA  47          3HB       ALA  47  -0.818  -0.801   2.742
  654    H    LYS  48           H        LYS  48  -3.064   0.423   0.255
  655    HA   LYS  48           HA       LYS  48  -2.409  -2.021  -1.188
  656   2HB   LYS  48          2HB       LYS  48  -4.852  -1.388  -2.154
  657   2HG   LYS  48          2HG       LYS  48  -4.242  -2.372   0.674
  658   2HD   LYS  48          2HD       LYS  48  -6.401  -3.748   0.131
  659   2HE   LYS  48          2HE       LYS  48  -7.953  -1.890   0.876
  660   1HZ   LYS  48          1HZ       LYS  48  -5.476  -2.122   2.486
  661   2HZ   LYS  48          2HZ       LYS  48  -6.970  -1.772   3.044
  662   3HZ   LYS  48          3HZ       LYS  48  -6.666  -3.259   2.455
  663    H    TYR  49           H        TYR  49  -2.107   1.285  -1.955
  664    HA   TYR  49           HA       TYR  49  -2.195   0.923  -4.852
  665   2HB   TYR  49          2HB       TYR  49  -1.147   3.303  -4.708
  666    HD1  TYR  49           HD1      TYR  49  -4.247   1.498  -3.536
  667    HD2  TYR  49           HD2      TYR  49  -2.593   4.987  -5.443
  668    HE1  TYR  49           HE1      TYR  49  -6.435   1.947  -4.609
  669    HE2  TYR  49           HE2      TYR  49  -4.804   5.416  -6.561
  670    HH   TYR  49           HH       TYR  49  -7.593   3.883  -5.590
  671    H    ARG  50           H        ARG  50   0.481   1.411  -2.506
  672    HA   ARG  50           HA       ARG  50   2.533   1.245  -4.526
  673   2HB   ARG  50          2HB       ARG  50   3.227   2.096  -2.461
  674   2HG   ARG  50          2HG       ARG  50   2.399  -0.508  -1.142
  675   2HD   ARG  50          2HD       ARG  50   4.576  -0.100  -0.269
  676    HE   ARG  50           HE       ARG  50   4.100   2.699  -0.692
  677   1HH1  ARG  50          1HH1      ARG  50   5.806   0.667   1.623
  678   2HH1  ARG  50          2HH1      ARG  50   7.053   1.875   1.841
  679   1HH2  ARG  50          1HH2      ARG  50   5.786   4.102  -0.410
  680   2HH2  ARG  50          2HH2      ARG  50   7.051   3.700   0.723
  681    H    GLU  51           H        GLU  51   0.532  -1.189  -3.362
  682    HA   GLU  51           HA       GLU  51   2.166  -3.514  -4.060
  683   2HB   GLU  51          2HB       GLU  51  -0.871  -3.349  -3.842
  684   2HG   GLU  51          2HG       GLU  51  -0.504  -5.662  -2.814
  685    H    MET  52           H        MET  52  -0.361  -1.658  -5.754
  686    HA   MET  52           HA       MET  52  -0.326  -3.536  -8.027
  687   2HB   MET  52          2HB       MET  52  -2.452  -2.650  -7.135
  688   2HG   MET  52          2HG       MET  52  -1.570  -0.061  -8.473
  689   1HE   MET  52          1HE       MET  52  -3.070   1.995  -8.649
  690   2HE   MET  52          2HE       MET  52  -4.701   2.121  -7.949
  691   3HE   MET  52          3HE       MET  52  -3.285   1.922  -6.890
  692    H    LEU  53           H        LEU  53   1.037  -0.385  -7.336
  693    HA   LEU  53           HA       LEU  53   1.677   0.318 -10.083
  694   2HB   LEU  53          2HB       LEU  53   3.344   1.852  -8.739
  695    HG   LEU  53           HG       LEU  53   0.365   1.912  -9.062
  696   1HD1  LEU  53          1HD1      LEU  53   0.535   2.493  -6.679
  697   2HD1  LEU  53          2HD1      LEU  53   1.720   3.760  -7.067
  698   3HD1  LEU  53          3HD1      LEU  53   0.035   3.866  -7.624
  699   1HD2  LEU  53          1HD2      LEU  53   2.222   2.813 -10.568
  700   2HD2  LEU  53          2HD2      LEU  53   0.933   3.972 -10.207
  701   3HD2  LEU  53          3HD2      LEU  53   2.473   4.059  -9.329
  702    HN2  GLY  54           HN2      GLY  54   3.821  -0.755  -7.441
  703   1HA   GLY  54          1HA       GLY  54   4.910  -2.987  -8.747
  704   2HA   GLY  54          2HA       GLY  54   5.890  -1.633  -9.289
  705    H    ILE  55           H        ILE  55   4.945  -1.238  -5.973
  706    HA   ILE  55           HA       ILE  55   7.760  -1.764  -5.224
  707    HB   ILE  55           HB       ILE  55   5.600   0.000  -4.141
  708   2HG1  ILE  55          2HG1      ILE  55   7.347   0.528  -6.068
  709   1HG2  ILE  55          1HG2      ILE  55   8.235  -0.653  -2.755
  710   2HG2  ILE  55          2HG2      ILE  55   7.167   0.694  -2.315
  711   3HG2  ILE  55          3HG2      ILE  55   6.601  -0.962  -2.113
  712   1HD1  ILE  55          1HD1      ILE  55   5.827   2.226  -5.093
  713   2HD1  ILE  55          2HD1      ILE  55   6.984   2.500  -3.770
  714   3HD1  ILE  55          3HD1      ILE  55   7.439   2.878  -5.441
  715    HA   PRO  56           HA       PRO  56   6.318  -5.375  -2.907
  716   2HB   PRO  56          2HB       PRO  56   8.297  -6.376  -3.373
  717   2HG   PRO  56          2HG       PRO  56  10.246  -5.124  -3.719
  718   2HD   PRO  56          2HD       PRO  56   8.846  -3.728  -4.966
  719    H    SER  57           H        SER  57   8.585  -3.374  -1.071
  720    HA   SER  57           HA       SER  57   6.463  -2.255   0.623
  721   2HB   SER  57          2HB       SER  57   7.045  -4.320   1.784
  722    HG   SER  57           HG       SER  57   8.996  -4.896   1.643
  723    H    SER  58           H        SER  58   9.307  -1.936  -0.909
  724    HA   SER  58           HA       SER  58  11.061  -0.557  -1.100
  725   2HB   SER  58          2HB       SER  58   9.395   1.208  -1.276
  726    HG   SER  58           HG       SER  58   8.905   0.872   1.137
  727    H    ARG  59           H        ARG  59  10.349  -1.775   1.997
  728    HA   ARG  59           HA       ARG  59  12.861  -0.673   3.174
  729   2HB   ARG  59          2HB       ARG  59  11.031  -0.853   4.744
  730   2HG   ARG  59          2HG       ARG  59  11.055  -3.845   4.141
  731   2HD   ARG  59          2HD       ARG  59   9.458  -4.024   6.048
  732    HE   ARG  59           HE       ARG  59  12.314  -3.798   6.375
  733   1HH1  ARG  59          1HH1      ARG  59   9.423  -4.210   8.292
  734   2HH1  ARG  59          2HH1      ARG  59  10.329  -4.802   9.675
  735   1HH2  ARG  59          1HH2      ARG  59  13.377  -4.622   8.127
  736   2HH2  ARG  59          2HH2      ARG  59  12.474  -5.062   9.553
  737    H    GLU  60           H        GLU  60  11.615  -3.536   1.630
  738    HA   GLU  60           HA       GLU  60  14.033  -5.055   2.065
  739   2HB   GLU  60          2HB       GLU  60  11.789  -6.054   1.727
  740   2HG   GLU  60          2HG       GLU  60  11.276  -4.746  -0.493
  741    H    ARG  61           H        ARG  61  13.086  -2.710  -0.344
  742    HA   ARG  61           HA       ARG  61  15.291  -3.175  -2.192
  743   2HB   ARG  61          2HB       ARG  61  14.677  -0.889  -3.005
  744   2HG   ARG  61          2HG       ARG  61  12.256  -2.700  -2.589
  745   2HD   ARG  61          2HD       ARG  61  12.987  -0.621  -4.660
  746    HE   ARG  61           HE       ARG  61  11.699  -3.081  -5.180
  747   1HH1  ARG  61          1HH1      ARG  61  11.040   0.317  -5.927
  748   2HH1  ARG  61          2HH1      ARG  61  10.018  -0.148  -7.264
  749   1HH2  ARG  61          1HH2      ARG  61  10.442  -3.523  -6.896
  750   2HH2  ARG  61          2HH2      ARG  61   9.596  -2.247  -7.712
  751    H    ARG  62           H        ARG  62  14.846  -1.140   0.700
  752    HA   ARG  62           HA       ARG  62  17.333   0.302   0.488
  753   2HB   ARG  62          2HB       ARG  62  15.253  -0.204   2.640
  754   2HG   ARG  62          2HG       ARG  62  16.760   2.266   2.953
  755   2HD   ARG  62          2HD       ARG  62  16.327  -0.146   4.724
  756    HE   ARG  62           HE       ARG  62  17.572   2.461   5.260
  757   1HH1  ARG  62          1HH1      ARG  62  15.724  -0.021   6.892
  758   2HH1  ARG  62          2HH1      ARG  62  16.274   0.497   8.468
  759   1HH2  ARG  62          1HH2      ARG  62  18.247   3.042   7.242
  760   2HH2  ARG  62          2HH2      ARG  62  17.672   2.193   8.655
  761    H    ILE  63           H        ILE  63  16.289  -2.265   2.711
  762    HA   ILE  63           HA       ILE  63  18.613  -2.292   4.246
  763    HB   ILE  63           HB       ILE  63  16.331  -3.197   4.822
  764   2HG1  ILE  63          2HG1      ILE  63  18.721  -4.918   5.590
  765   1HG2  ILE  63          1HG2      ILE  63  17.329  -5.806   3.610
  766   2HG2  ILE  63          2HG2      ILE  63  15.761  -5.489   4.376
  767   3HG2  ILE  63          3HG2      ILE  63  16.160  -4.734   2.824
  768   1HD1  ILE  63          1HD1      ILE  63  18.570  -3.615   7.721
  769   2HD1  ILE  63          2HD1      ILE  63  19.005  -2.578   6.355
  770   3HD1  ILE  63          3HD1      ILE  63  17.343  -2.566   6.984
  Start of MODEL   16
    1   1H5*    T  64          1H5*        T  64   9.413  -2.994  19.156
    2   2H5*    T  64          2H5*        T  64   9.156  -1.334  18.621
    3    H4*    T  64           H4*        T  64  10.463  -2.425  16.978
    4    H3*    T  64           H3*        T  64   7.625  -2.131  15.982
    5   1H2*    T  64          1H2*        T  64   8.314  -3.057  13.967
    6   2H2*    T  64          2H2*        T  64  10.049  -2.755  14.302
    7    H1*    T  64           H1*        T  64  10.055  -4.930  14.953
    8    H3     T  64           H3         T  64   6.840  -7.600  13.356
    9   1H5M    T  64          1H5M        T  64   4.730  -4.824  17.490
   10   2H5M    T  64          2H5M        T  64   3.831  -6.111  16.670
   11   3H5M    T  64          3H5M        T  64   4.999  -6.523  17.941
   12    H6     T  64           H6         T  64   7.043  -4.360  16.911
   13    H5T    T  64           H5T        T  64   7.035  -1.771  18.180
   14   1H5*    T  65          1H5*        T  65  10.277  -0.899  12.992
   15   2H5*    T  65          2H5*        T  65   9.821   0.567  12.110
   16    H4*    T  65           H4*        T  65  10.113  -1.470  10.629
   17    H3*    T  65           H3*        T  65   7.619   0.128  10.773
   18   1H2*    T  65          1H2*        T  65   6.223  -1.449  10.178
   19   2H2*    T  65          2H2*        T  65   7.226  -1.967   8.797
   20    H1*    T  65           H1*        T  65   8.234  -3.617   9.928
   21    H3     T  65           H3         T  65   4.656  -6.238  10.883
   22   1H5M    T  65          1H5M        T  65   5.247  -2.855  14.993
   23   2H5M    T  65          2H5M        T  65   3.822  -2.295  14.086
   24   3H5M    T  65          3H5M        T  65   3.812  -3.887  14.865
   25    H6     T  65           H6         T  65   6.443  -2.220  12.863
   26   1H5*    T  66          1H5*        T  66   8.672  -1.695   6.773
   27   2H5*    T  66          2H5*        T  66   8.496  -0.569   5.417
   28    H4*    T  66           H4*        T  66   7.472  -2.672   4.787
   29    H3*    T  66           H3*        T  66   6.030  -0.240   4.788
   30   1H2*    T  66          1H2*        T  66   4.596  -0.805   6.476
   31   2H2*    T  66          2H2*        T  66   3.668  -1.599   5.200
   32    H1*    T  66           H1*        T  66   4.720  -3.711   5.561
   33    H3     T  66           H3         T  66   2.181  -5.511   8.837
   34   1H5M    T  66          1H5M        T  66   2.246  -1.507  11.267
   35   2H5M    T  66          2H5M        T  66   4.017  -1.425  11.354
   36   3H5M    T  66          3H5M        T  66   3.128  -0.418  10.190
   37    H6     T  66           H6         T  66   4.604  -1.358   8.490
   38   1H5*    T  67          1H5*        T  67   4.596  -4.054   3.250
   39   2H5*    T  67          2H5*        T  67   4.098  -3.950   1.558
   40    H4*    T  67           H4*        T  67   2.975  -5.786   2.674
   41    H3*    T  67           H3*        T  67   1.673  -3.784   1.189
   42   1H2*    T  67          1H2*        T  67   0.599  -2.864   3.130
   43   2H2*    T  67          2H2*        T  67  -0.635  -4.085   2.685
   44    H1*    T  67           H1*        T  67   0.449  -5.763   4.072
   45    H3     T  67           H3         T  67  -1.883  -5.049   7.860
   46   1H5M    T  67          1H5M        T  67   0.665  -1.243   8.858
   47   2H5M    T  67          2H5M        T  67   1.748  -1.088   7.463
   48   3H5M    T  67          3H5M        T  67   0.116  -0.395   7.402
   49    H6     T  67           H6         T  67   1.384  -2.422   5.474
   50   1H5*    G  68          1H5*        G  68   0.112  -8.323   1.544
   51   2H5*    G  68          2H5*        G  68  -0.497  -8.736  -0.063
   52    H4*    G  68           H4*        G  68  -1.477 -10.150   1.666
   53    H3*    G  68           H3*        G  68  -2.991  -8.992  -0.317
   54    H1*    G  68           H1*        G  68  -4.150  -8.943   3.370
   55    H8     G  68           H8         G  68  -2.462  -5.580   2.328
   56    H1     G  68           H1         G  68  -5.880  -5.465   7.813
   57   1H2     G  68          1H2         G  68  -7.149  -7.366   7.835
   58   2H2     G  68          2H2         G  68  -6.729  -8.683   6.749
   59   1H2*    G  68          1H2*        G  68  -3.759  -7.158   0.946
   60   2H2*    G  68          2H2*        G  68  -5.084  -8.296   1.303
   61   1H5*    G  69          1H5*        G  69  -5.472 -11.526   2.960
   62   2H5*    G  69          2H5*        G  69  -6.308 -12.734   1.982
   63    H4*    G  69           H4*        G  69  -7.645 -12.285   3.902
   64    H3*    G  69           H3*        G  69  -8.685 -12.028   1.313
   65    H1*    G  69           H1*        G  69  -9.559  -9.766   4.271
   66    H8     G  69           H8         G  69  -7.342  -7.892   1.670
   67    H1     G  69           H1         G  69  -9.536  -4.258   6.519
   68   1H2     G  69          1H2         G  69 -11.015  -5.468   7.707
   69   2H2     G  69          2H2         G  69 -11.304  -7.149   7.283
   70   1H2*    G  69          1H2*        G  69  -8.762  -9.685   1.330
   71   2H2*    G  69          2H2*        G  69 -10.373  -9.993   2.036
   72   1H5*    C  70          1H5*        C  70 -11.857 -11.508   4.765
   73   2H5*    C  70          2H5*        C  70 -13.361 -12.346   4.351
   74    H4*    C  70           H4*        C  70 -13.876 -10.223   5.366
   75    H3*    C  70           H3*        C  70 -14.692 -10.727   2.588
   76    H1*    C  70           H1*        C  70 -14.061  -7.652   4.729
   77   1H4     C  70          1H4         C  70 -10.539  -2.890   2.662
   78   2H4     C  70          2H4         C  70  -9.689  -3.891   1.473
   79    H5     C  70           H5         C  70 -10.185  -6.202   1.172
   80    H6     C  70           H6         C  70 -11.633  -8.062   1.911
   81   1H2*    C  70          1H2*        C  70 -13.987  -8.676   1.862
   82   2H2*    C  70          2H2*        C  70 -15.369  -7.999   2.765
   83   1H5*    A  71          1H5*        A  71 -17.358  -8.182   5.536
   84   2H5*    A  71          2H5*        A  71 -19.084  -8.223   5.138
   85    H4*    A  71           H4*        A  71 -18.314  -5.944   5.688
   86    H3*    A  71           H3*        A  71 -19.142  -6.394   2.813
   87    H1*    A  71           H1*        A  71 -16.769  -3.854   4.573
   88    H8     A  71           H8         A  71 -16.116  -6.216   1.569
   89   1H6     A  71          1H6         A  71 -12.286  -1.503  -0.108
   90   2H6     A  71          2H6         A  71 -12.712  -3.159  -0.587
   91    H2     A  71           H2         A  71 -14.546  -0.187   3.223
   92   1H2*    A  71          1H2*        A  71 -18.538  -4.218   2.290
   93   2H2*    A  71          2H2*        A  71 -18.876  -3.620   3.938
   94   1H5*    C  72          1H5*        C  72 -21.031  -3.304   5.738
   95   2H5*    C  72          2H5*        C  72 -22.662  -2.797   5.275
   96    H4*    C  72           H4*        C  72 -21.350  -0.863   5.984
   97    H3*    C  72           H3*        C  72 -21.857  -0.960   3.000
   98    H1*    C  72           H1*        C  72 -18.947   0.700   4.892
   99   1H4     C  72          1H4         C  72 -15.255  -0.039  -0.224
  100   2H4     C  72          2H4         C  72 -16.444  -1.037  -0.964
  101    H5     C  72           H5         C  72 -18.337  -1.955   0.189
  102    H6     C  72           H6         C  72 -19.792  -1.652   2.156
  103   1H2*    C  72          1H2*        C  72 -20.801   1.106   2.833
  104   2H2*    C  72          2H2*        C  72 -21.017   1.482   4.569
  105   1H5*    G  73          1H5*        G  73 -22.952   2.894   4.547
  106   2H5*    G  73          2H5*        G  73 -24.293   3.701   3.711
  107    H4*    G  73           H4*        G  73 -22.239   5.087   3.807
  108    H3*    G  73           H3*        G  73 -23.124   4.224   1.048
  109    H1*    G  73           H1*        G  73 -19.407   4.620   2.076
  110    H8     G  73           H8         G  73 -21.947   1.944   1.068
  111    H1     G  73           H1         G  73 -16.460   2.114  -2.315
  112   1H2     G  73          1H2         G  73 -15.821   4.273  -2.394
  113   2H2     G  73          2H2         G  73 -16.367   5.345  -1.103
  114   1H2*    G  73          1H2*        G  73 -21.213   5.385   0.190
  115   2H2*    G  73          2H2*        G  73 -20.953   6.253   1.734
  116   1H5*    T  74          1H5*        T  74 -21.636   8.221   1.161
  117   2H5*    T  74          2H5*        T  74 -22.470   9.430   0.170
  118    H4*    T  74           H4*        T  74 -19.958   9.280  -0.242
  119    H3*    T  74           H3*        T  74 -21.829   8.643  -2.531
  120   1H2*    T  74          1H2*        T  74 -19.888   8.337  -3.859
  121   2H2*    T  74          2H2*        T  74 -18.853   9.215  -2.692
  122    H1*    T  74           H1*        T  74 -18.326   7.253  -1.835
  123    H3     T  74           H3         T  74 -18.685   3.883  -4.973
  124   1H5M    T  74          1H5M        T  74 -22.588   2.659  -2.476
  125   2H5M    T  74          2H5M        T  74 -23.111   4.211  -1.802
  126   3H5M    T  74          3H5M        T  74 -23.405   3.846  -3.517
  127    H6     T  74           H6         T  74 -21.614   6.082  -1.849
  128   1H5*    T  75          1H5*        T  75 -18.453  11.119  -3.430
  129   2H5*    T  75          2H5*        T  75 -18.794  12.524  -4.424
  130    H4*    T  75           H4*        T  75 -16.869  11.209  -5.238
  131    H3*    T  75           H3*        T  75 -19.084  12.165  -6.745
  132   1H2*    T  75          1H2*        T  75 -19.840  10.319  -7.619
  133   2H2*    T  75          2H2*        T  75 -18.432  10.333  -8.695
  134    H1*    T  75           H1*        T  75 -17.276   8.834  -7.476
  135    H3     T  75           H3         T  75 -19.293   4.783  -7.920
  136   1H5M    T  75          1H5M        T  75 -23.267   6.573  -6.084
  137   2H5M    T  75          2H5M        T  75 -22.402   6.973  -4.583
  138   3H5M    T  75          3H5M        T  75 -22.827   8.255  -5.738
  139    H6     T  75           H6         T  75 -20.462   9.050  -6.008
  140   1H5*    T  76          1H5*        T  76 -15.178  10.651  -8.741
  141   2H5*    T  76          2H5*        T  76 -14.558  11.708 -10.019
  142    H4*    T  76           H4*        T  76 -14.288   9.354 -10.656
  143    H3*    T  76           H3*        T  76 -16.104  11.140 -12.201
  144   1H2*    T  76          1H2*        T  76 -17.475   9.532 -12.932
  145   2H2*    T  76          2H2*        T  76 -16.098   8.525 -13.463
  146    H1*    T  76           H1*        T  76 -16.042   7.261 -11.661
  147    H3     T  76           H3         T  76 -19.989   5.044 -11.152
  148   1H5M    T  76          1H5M        T  76 -20.749  10.280  -9.896
  149   2H5M    T  76          2H5M        T  76 -22.131   9.296 -10.437
  150   3H5M    T  76          3H5M        T  76 -21.420   9.041  -8.825
  151    H6     T  76           H6         T  76 -18.708   9.673 -10.749
  152   1H5*    C  77          1H5*        C  77 -13.516   8.071 -14.590
  153   2H5*    C  77          2H5*        C  77 -13.177   8.635 -16.231
  154    H4*    C  77           H4*        C  77 -14.013   6.387 -16.382
  155    H3*    C  77           H3*        C  77 -16.183   8.337 -17.168
  156    H1*    C  77           H1*        C  77 -16.350   4.716 -15.736
  157   1H4     C  77          1H4         C  77 -22.177   6.243 -13.803
  158   2H4     C  77          2H4         C  77 -21.806   7.972 -13.709
  159    H5     C  77           H5         C  77 -19.620   8.837 -14.319
  160    H6     C  77           H6         C  77 -17.358   8.148 -15.189
  161    H3T    C  77           H3T        C  77 -15.481   7.659 -19.276
  162   1H2*    C  77          1H2*        C  77 -17.496   6.459 -17.689
  163   2H2*    C  77          2H2*        C  77 -16.070   5.395 -17.885
  164   1H5*    G  78          1H5*        G  78 -29.253  -0.654 -17.541
  165   2H5*    G  78          2H5*        G  78 -29.211  -2.140 -16.580
  166    H4*    G  78           H4*        G  78 -27.223  -2.084 -17.897
  167    H3*    G  78           H3*        G  78 -26.726  -1.434 -14.983
  168    H1*    G  78           H1*        G  78 -24.693   0.093 -17.975
  169    H8     G  78           H8         G  78 -27.199   1.322 -15.453
  170    H1     G  78           H1         G  78 -21.401   4.120 -14.975
  171   1H2     G  78          1H2         G  78 -19.947   2.866 -16.095
  172   2H2     G  78          2H2         G  78 -20.517   1.530 -17.098
  173   1H2*    G  78          1H2*        G  78 -24.530  -0.953 -15.400
  174   2H2*    G  78          2H2*        G  78 -24.474  -1.913 -16.924
  175    H5T    G  78           H5T        G  78 -29.917  -0.313 -15.357
  176   1H5*    A  79          1H5*        A  79 -23.495  -3.783 -16.252
  177   2H5*    A  79          2H5*        A  79 -23.017  -5.041 -15.105
  178    H4*    A  79           H4*        A  79 -21.163  -3.424 -15.627
  179    H3*    A  79           H3*        A  79 -22.180  -3.734 -12.819
  180    H1*    A  79           H1*        A  79 -20.492  -0.645 -14.629
  181    H8     A  79           H8         A  79 -23.987  -0.951 -13.133
  182   1H6     A  79          1H6         A  79 -22.555   4.625 -10.547
  183   2H6     A  79          2H6         A  79 -23.914   3.505 -10.733
  184    H2     A  79           H2         A  79 -19.014   3.119 -12.349
  185   1H2*    A  79          1H2*        A  79 -20.908  -1.959 -12.090
  186   2H2*    A  79          2H2*        A  79 -19.660  -2.233 -13.336
  187   1H5*    A  80          1H5*        A  80 -17.935  -3.727 -14.284
  188   2H5*    A  80          2H5*        A  80 -16.712  -4.714 -13.463
  189    H4*    A  80           H4*        A  80 -15.948  -2.319 -13.914
  190    H3*    A  80           H3*        A  80 -16.149  -3.236 -11.012
  191    H1*    A  80           H1*        A  80 -16.577   0.316 -12.484
  192    H8     A  80           H8         A  80 -18.829  -2.219 -10.730
  193   1H6     A  80          1H6         A  80 -21.021   2.882  -7.734
  194   2H6     A  80          2H6         A  80 -21.356   1.160  -7.960
  195    H2     A  80           H2         A  80 -17.505   4.021  -9.883
  196   1H2*    A  80          1H2*        A  80 -15.556  -1.136 -10.400
  197   2H2*    A  80          2H2*        A  80 -14.764  -0.755 -11.958
  198   1H5*    A  81          1H5*        A  81 -12.553  -1.049 -12.080
  199   2H5*    A  81          2H5*        A  81 -11.082  -1.559 -11.241
  200    H4*    A  81           H4*        A  81 -11.612   0.883 -10.878
  201    H3*    A  81           H3*        A  81 -11.398  -1.092  -8.658
  202    H1*    A  81           H1*        A  81 -13.433   2.257  -8.976
  203    H8     A  81           H8         A  81 -14.794  -1.319  -8.544
  204   1H6     A  81          1H6         A  81 -19.349   1.484  -5.252
  205   2H6     A  81          2H6         A  81 -18.742  -0.103  -5.733
  206    H2     A  81           H2         A  81 -16.660   4.557  -6.684
  207   1H2*    A  81          1H2*        A  81 -12.703  -0.022  -7.231
  208   2H2*    A  81          2H2*        A  81 -11.924   1.535  -7.554
  209   1H5*    C  82          1H5*        C  82 -10.137   3.184  -8.776
  210   2H5*    C  82          2H5*        C  82  -8.746   3.781  -7.869
  211    H4*    C  82           H4*        C  82 -10.622   5.333  -7.684
  212    H3*    C  82           H3*        C  82 -10.021   3.813  -5.139
  213    H1*    C  82           H1*        C  82 -13.430   5.169  -6.128
  214   1H4     C  82          1H4         C  82 -16.608   0.802  -3.449
  215   2H4     C  82          2H4         C  82 -15.315  -0.340  -3.645
  216    H5     C  82           H5         C  82 -13.181   0.202  -4.691
  217    H6     C  82           H6         C  82 -11.796   2.019  -5.493
  218   1H2*    C  82          1H2*        C  82 -11.642   5.172  -4.039
  219   2H2*    C  82          2H2*        C  82 -11.649   6.366  -5.375
  220   1H5*    G  83          1H5*        G  83  -9.607   8.147  -3.556
  221   2H5*    G  83          2H5*        G  83  -8.152   8.000  -2.571
  222    H4*    G  83           H4*        G  83  -9.970   8.961  -1.369
  223    H3*    G  83           H3*        G  83  -8.403   7.484  -0.067
  224    H1*    G  83           H1*        G  83 -12.126   6.531   0.171
  225    H8     G  83           H8         G  83 -10.135   4.274  -2.305
  226    H1     G  83           H1         G  83 -15.284   1.484   0.388
  227   1H2     G  83          1H2         G  83 -15.983   2.812   2.070
  228   2H2     G  83          2H2         G  83 -15.351   4.447   2.224
  229   1H2*    G  83          1H2*        G  83  -9.411   5.374  -0.461
  230   2H2*    G  83          2H2*        G  83 -10.134   5.767   1.119
  231   1H5*    T  84          1H5*        T  84 -12.161   7.511   3.111
  232   2H5*    T  84          2H5*        T  84 -11.341   8.160   4.551
  233    H4*    T  84           H4*        T  84 -12.495   6.164   5.233
  234    H3*    T  84           H3*        T  84  -9.646   6.369   5.516
  235   1H2*    T  84          1H2*        T  84  -9.207   4.787   3.867
  236   2H2*    T  84          2H2*        T  84  -9.345   3.687   5.274
  237    H1*    T  84           H1*        T  84 -11.698   3.368   4.883
  238    H3     T  84           H3         T  84 -12.551   0.200   1.820
  239   1H5M    T  84          1H5M        T  84  -9.119   1.663  -0.956
  240   2H5M    T  84          2H5M        T  84  -8.565   3.146  -0.188
  241   3H5M    T  84          3H5M        T  84  -7.922   1.574   0.347
  242    H6     T  84           H6         T  84  -9.300   3.744   2.010
  243   1H5*    G  85          1H5*        G  85 -13.378   5.325   8.807
  244   2H5*    G  85          2H5*        G  85 -12.930   5.507  10.507
  245    H4*    G  85           H4*        G  85 -13.860   3.313  10.252
  246    H3*    G  85           H3*        G  85 -10.849   3.297  10.478
  247    H1*    G  85           H1*        G  85 -13.450   0.878   8.844
  248    H8     G  85           H8         G  85 -10.351   2.570   7.267
  249    H1     G  85           H1         G  85 -12.195  -2.994   4.547
  250   1H2     G  85          1H2         G  85 -13.786  -3.903   5.840
  251   2H2     G  85          2H2         G  85 -14.355  -3.057   7.283
  252   1H2*    G  85          1H2*        G  85 -10.681   1.160   9.820
  253   2H2*    G  85          2H2*        G  85 -12.166   0.651  10.676
  254   1H5*    C  86          1H5*        C  86 -13.093   0.269  13.167
  255   2H5*    C  86          2H5*        C  86 -12.246   0.061  14.706
  256    H4*    C  86           H4*        C  86 -12.823  -2.108  13.717
  257    H3*    C  86           H3*        C  86  -9.997  -1.356  14.184
  258    H1*    C  86           H1*        C  86 -11.661  -3.751  11.544
  259   1H4     C  86          1H4         C  86  -8.806  -2.596   5.990
  260   2H4     C  86          2H4         C  86  -8.133  -1.129   6.618
  261    H5     C  86           H5         C  86  -8.552  -0.226   8.770
  262    H6     C  86           H6         C  86  -9.597  -0.706  10.951
  263   1H2*    C  86          1H2*        C  86  -9.117  -2.477  12.462
  264   2H2*    C  86          2H2*        C  86  -9.922  -3.972  12.960
  265   1H5*    C  87          1H5*        C  87 -11.509  -5.711  14.896
  266   2H5*    C  87          2H5*        C  87 -10.562  -6.654  16.053
  267    H4*    C  87           H4*        C  87 -10.989  -7.935  14.008
  268    H3*    C  87           H3*        C  87  -8.096  -7.101  14.381
  269    H1*    C  87           H1*        C  87 -10.104  -7.841  11.122
  270   1H4     C  87          1H4         C  87  -6.825  -3.736   7.719
  271   2H4     C  87          2H4         C  87  -6.284  -2.912   9.169
  272    H5     C  87           H5         C  87  -6.635  -3.654  11.277
  273    H6     C  87           H6         C  87  -7.876  -5.289  12.716
  274   1H2*    C  87          1H2*        C  87  -7.589  -8.242  12.378
  275   2H2*    C  87          2H2*        C  87  -9.056  -9.253  12.475
  276   1H5*    A  88          1H5*        A  88  -8.530 -11.134  13.319
  277   2H5*    A  88          2H5*        A  88  -7.528 -12.305  14.161
  278    H4*    A  88           H4*        A  88  -7.466 -12.385  11.643
  279    H3*    A  88           H3*        A  88  -5.377 -12.812  13.457
  280    H1*    A  88           H1*        A  88  -4.962 -10.769  10.106
  281    H8     A  88           H8         A  88  -5.349  -8.646  13.357
  282   1H6     A  88          1H6         A  88  -2.571  -4.163   9.977
  283   2H6     A  88          2H6         A  88  -3.334  -4.486  11.536
  284    H2     A  88           H2         A  88  -2.725  -7.681   7.522
  285   1H2*    A  88          1H2*        A  88  -4.150 -10.916  13.015
  286   2H2*    A  88          2H2*        A  88  -3.541 -11.850  11.625
  287   1H5*    A  89          1H5*        A  89  -4.551 -13.702   9.055
  288   2H5*    A  89          2H5*        A  89  -3.686 -15.216   8.745
  289    H4*    A  89           H4*        A  89  -2.825 -13.355   7.364
  290    H3*    A  89           H3*        A  89  -1.102 -14.775   9.311
  291    H1*    A  89           H1*        A  89  -1.067 -11.301   7.657
  292    H8     A  89           H8         A  89  -1.250 -11.449  11.554
  293   1H6     A  89          1H6         A  89   0.744  -5.515  11.058
  294   2H6     A  89          2H6         A  89   0.179  -6.706  12.236
  295    H2     A  89           H2         A  89   0.607  -7.213   7.087
  296   1H2*    A  89          1H2*        A  89   0.139 -12.994   9.844
  297   2H2*    A  89          2H2*        A  89   0.619 -12.806   8.128
  298   1H5*    A  90          1H5*        A  90   0.864 -13.445   5.324
  299   2H5*    A  90          2H5*        A  90   1.764 -14.820   4.670
  300    H4*    A  90           H4*        A  90   3.034 -12.821   4.287
  301    H3*    A  90           H3*        A  90   4.107 -15.022   5.705
  302    H1*    A  90           H1*        A  90   4.810 -11.285   6.432
  303    H8     A  90           H8         A  90   2.725 -13.096   9.192
  304   1H6     A  90          1H6         A  90   3.102  -7.538  12.093
  305   2H6     A  90          2H6         A  90   2.401  -9.149  12.246
  306    H2     A  90           H2         A  90   5.406  -7.268   8.474
  307   1H2*    A  90          1H2*        A  90   4.283 -13.977   7.750
  308   2H2*    A  90          2H2*        A  90   5.808 -13.340   7.081
  309   1H5*    A  91          1H5*        A  91   7.349 -11.846   3.962
  310   2H5*    A  91          2H5*        A  91   8.835 -12.734   3.597
  311    H4*    A  91           H4*        A  91   9.453 -10.677   4.683
  312    H3*    A  91           H3*        A  91   9.617 -13.023   6.628
  313    H1*    A  91           H1*        A  91   9.005  -9.264   7.275
  314    H8     A  91           H8         A  91   7.724 -12.740   8.320
  315   1H6     A  91          1H6         A  91   5.590  -9.521  13.308
  316   2H6     A  91          2H6         A  91   5.625 -11.150  12.632
  317    H2     A  91           H2         A  91   7.809  -6.811  10.823
  318    H3T    A  91           H3T        A  91  11.130 -13.084   4.886
  319   1H2*    A  91          1H2*        A  91  10.448 -11.534   8.236
  320   2H2*    A  91          2H2*        A  91  10.977 -10.347   7.004
  321   1H    HIS   1          1H        HIS   1 -15.954   8.294  -4.504
  322   2H    HIS   1          2H        HIS   1 -14.875   7.615  -3.476
  323   3H    HIS   1          3H        HIS   1 -15.090   6.973  -4.960
  324    HA   HIS   1           HA       HIS   1 -13.030   8.215  -4.907
  325   2HB   HIS   1          2HB       HIS   1 -13.601   9.951  -6.706
  326    HD1  HIS   1           HD1      HIS   1 -15.757   6.959  -7.829
  327    HD2  HIS   1           HD2      HIS   1 -11.759   8.353  -7.780
  328    HE1  HIS   1           HE1      HIS   1 -14.473   5.469  -9.388
  329    H    MET   2           H        MET   2 -11.906  10.086  -4.626
  330    HA   MET   2           HA       MET   2 -13.135  12.355  -3.149
  331   2HB   MET   2          2HB       MET   2 -10.728  10.778  -2.174
  332   2HG   MET   2          2HG       MET   2 -10.519  13.144  -1.594
  333   1HE   MET   2          1HE       MET   2 -14.424  13.006   0.927
  334   2HE   MET   2          2HE       MET   2 -13.990  11.662  -0.146
  335   3HE   MET   2          3HE       MET   2 -12.962  12.050   1.254
  336    H    LEU   3           H        LEU   3  -9.982  11.055  -4.346
  337    HA   LEU   3           HA       LEU   3  -9.129  13.713  -5.302
  338   2HB   LEU   3          2HB       LEU   3  -7.008  12.306  -5.769
  339    HG   LEU   3           HG       LEU   3  -7.872  12.223  -2.863
  340   1HD1  LEU   3          1HD1      LEU   3  -5.646  11.940  -2.345
  341   2HD1  LEU   3          2HD1      LEU   3  -5.650  11.139  -3.938
  342   3HD1  LEU   3          3HD1      LEU   3  -5.067  12.776  -3.809
  343   1HD2  LEU   3          1HD2      LEU   3  -6.626  14.443  -2.751
  344   2HD2  LEU   3          2HD2      LEU   3  -6.695  14.478  -4.534
  345   3HD2  LEU   3          3HD2      LEU   3  -8.185  14.519  -3.561
  346    H    THR   4           H        THR   4  -7.725  13.400  -7.360
  347    HA   THR   4           HA       THR   4  -9.582  12.939  -9.590
  348    HB   THR   4           HB       THR   4  -7.763  13.710 -11.036
  349    HG1  THR   4           HG1      THR   4  -5.856  14.431  -9.942
  350   1HG2  THR   4          1HG2      THR   4  -9.149  15.412  -9.988
  351   2HG2  THR   4          2HG2      THR   4  -8.076  15.461  -8.577
  352   3HG2  THR   4          3HG2      THR   4  -7.475  15.970 -10.171
  353    H    GLN   5           H        GLN   5  -8.149  11.949 -11.620
  354    HA   GLN   5           HA       GLN   5  -8.260   9.181 -11.522
  355   2HB   GLN   5          2HB       GLN   5  -8.164  10.576 -13.535
  356   2HG   GLN   5          2HG       GLN   5  -5.155  10.748 -13.075
  357   1HE2  GLN   5          1HE2      GLN   5  -7.329  12.890 -14.970
  358   2HE2  GLN   5          2HE2      GLN   5  -6.589  12.463 -16.510
  359    HN2  GLY   6           HN2      GLY   6  -5.590  11.167 -10.301
  360   1HA   GLY   6          1HA       GLY   6  -4.690   8.971  -8.723
  361   2HA   GLY   6          2HA       GLY   6  -3.598   9.187 -10.098
  362    H    GLU   7           H        GLU   7  -5.230  11.729  -7.934
  363    HA   GLU   7           HA       GLU   7  -2.941  13.357  -7.938
  364   2HB   GLU   7          2HB       GLU   7  -4.589  13.806  -5.621
  365   2HG   GLU   7          2HG       GLU   7  -4.592  15.257  -8.281
  366    H    LEU   8           H        LEU   8  -3.561  10.533  -6.130
  367    HA   LEU   8           HA       LEU   8  -1.198  11.110  -4.371
  368   2HB   LEU   8          2HB       LEU   8  -3.387  10.678  -3.279
  369    HG   LEU   8           HG       LEU   8  -3.694   8.488  -4.947
  370   1HD1  LEU   8          1HD1      LEU   8  -2.845   7.505  -2.174
  371   2HD1  LEU   8          2HD1      LEU   8  -3.422   6.478  -3.473
  372   3HD1  LEU   8          3HD1      LEU   8  -1.851   7.295  -3.632
  373   1HD2  LEU   8          1HD2      LEU   8  -4.976   9.280  -2.374
  374   2HD2  LEU   8          2HD2      LEU   8  -5.679   9.013  -3.986
  375   3HD2  LEU   8          3HD2      LEU   8  -5.299   7.639  -2.968
  376    H    MET   9           H        MET   9  -2.140   9.312  -7.133
  377    HA   MET   9           HA       MET   9  -0.450   6.950  -6.773
  378   2HB   MET   9          2HB       MET   9  -2.480   7.923  -8.683
  379   2HG   MET   9          2HG       MET   9  -0.114   6.413  -9.730
  380   1HE   MET   9          1HE       MET   9  -0.621   6.815 -12.789
  381   2HE   MET   9          2HE       MET   9  -0.021   5.294 -12.088
  382   3HE   MET   9          3HE       MET   9  -1.381   5.268 -13.230
  383    H    LYS  10           H        LYS  10  -0.396   9.694  -8.983
  384    HA   LYS  10           HA       LYS  10   2.291   9.010  -9.924
  385   2HB   LYS  10          2HB       LYS  10   0.590   9.722 -11.453
  386   2HG   LYS  10          2HG       LYS  10   0.624  12.602 -10.732
  387   2HD   LYS  10          2HD       LYS  10  -1.737  10.761 -11.327
  388   2HE   LYS  10          2HE       LYS  10  -2.257  12.986 -10.342
  389   1HZ   LYS  10          1HZ       LYS  10  -1.990  14.902 -11.829
  390   2HZ   LYS  10          2HZ       LYS  10  -0.519  14.319 -11.431
  391   3HZ   LYS  10          3HZ       LYS  10  -1.151  14.009 -12.908
  392    H    LEU  11           H        LEU  11   1.923   9.900  -7.148
  393    HA   LEU  11           HA       LEU  11   3.924  12.096  -6.856
  394   2HB   LEU  11          2HB       LEU  11   2.631  12.709  -4.782
  395    HG   LEU  11           HG       LEU  11   0.809  13.949  -5.683
  396   1HD1  LEU  11          1HD1      LEU  11   1.943  15.272  -7.382
  397   2HD1  LEU  11          2HD1      LEU  11   3.105  14.778  -6.132
  398   3HD1  LEU  11          3HD1      LEU  11   3.080  13.940  -7.704
  399   1HD2  LEU  11          1HD2      LEU  11   1.207  12.807  -8.428
  400   2HD2  LEU  11          2HD2      LEU  11   0.130  11.979  -7.295
  401   3HD2  LEU  11          3HD2      LEU  11  -0.192  13.666  -7.778
  402    H    ILE  12           H        ILE  12   2.457   9.070  -5.485
  403    HA   ILE  12           HA       ILE  12   4.133   9.142  -3.126
  404    HB   ILE  12           HB       ILE  12   3.694   6.671  -3.017
  405   2HG1  ILE  12          2HG1      ILE  12   2.942   6.828  -5.697
  406   1HG2  ILE  12          1HG2      ILE  12   1.433   8.671  -3.008
  407   2HG2  ILE  12          2HG2      ILE  12   1.241   6.998  -2.464
  408   3HG2  ILE  12          3HG2      ILE  12   2.397   8.087  -1.654
  409   1HD1  ILE  12          1HD1      ILE  12   2.038   4.811  -3.600
  410   2HD1  ILE  12          2HD1      ILE  12   2.076   4.545  -5.349
  411   3HD1  ILE  12          3HD1      ILE  12   3.596   4.780  -4.472
  412    H    LYS  13           H        LYS  13   4.653   7.911  -6.368
  413    HA   LYS  13           HA       LYS  13   7.223   6.583  -5.528
  414   2HB   LYS  13          2HB       LYS  13   5.863   5.362  -7.044
  415   2HG   LYS  13          2HG       LYS  13   4.857   7.410  -8.311
  416   2HD   LYS  13          2HD       LYS  13   7.255   6.772 -10.098
  417   2HE   LYS  13          2HE       LYS  13   4.860   8.634 -10.450
  418   1HZ   LYS  13          1HZ       LYS  13   6.899   9.449 -11.516
  419   2HZ   LYS  13          2HZ       LYS  13   7.101   8.025 -12.300
  420   3HZ   LYS  13          3HZ       LYS  13   5.817   8.975 -12.650
  421    H    GLU  14           H        GLU  14   6.311   9.583  -6.404
  422    HA   GLU  14           HA       GLU  14   8.676  10.351  -8.031
  423   2HB   GLU  14          2HB       GLU  14   6.155  11.960  -7.477
  424   2HG   GLU  14          2HG       GLU  14   7.941  13.231  -8.624
  425    H    ILE  15           H        ILE  15   7.335  10.725  -4.849
  426    HA   ILE  15           HA       ILE  15   9.434  12.715  -4.138
  427    HB   ILE  15           HB       ILE  15   8.304  13.080  -2.081
  428   2HG1  ILE  15          2HG1      ILE  15   6.766  10.621  -2.766
  429   1HG2  ILE  15          1HG2      ILE  15   7.604  14.364  -4.069
  430   2HG2  ILE  15          2HG2      ILE  15   6.265  13.225  -4.329
  431   3HG2  ILE  15          3HG2      ILE  15   6.322  14.212  -2.856
  432   1HD1  ILE  15          1HD1      ILE  15   7.176  12.127  -0.148
  433   2HD1  ILE  15          2HD1      ILE  15   6.574  10.466  -0.340
  434   3HD1  ILE  15          3HD1      ILE  15   8.256  10.859  -0.760
  435    H    VAL  16           H        VAL  16   8.133   9.432  -3.240
  436    HA   VAL  16           HA       VAL  16  10.063   8.997  -1.229
  437    HB   VAL  16           HB       VAL  16   8.566   6.979  -2.949
  438   1HG1  VAL  16          1HG1      VAL  16  10.410   6.567  -0.583
  439   2HG1  VAL  16          2HG1      VAL  16   9.152   5.376  -1.038
  440   3HG1  VAL  16          3HG1      VAL  16  10.457   5.772  -2.161
  441   1HG2  VAL  16          1HG2      VAL  16   8.171   7.888  -0.060
  442   2HG2  VAL  16          2HG2      VAL  16   7.163   8.380  -1.415
  443   3HG2  VAL  16          3HG2      VAL  16   7.204   6.683  -0.936
  444    H    GLU  17           H        GLU  17  10.207   8.333  -4.735
  445    HA   GLU  17           HA       GLU  17  12.888   7.047  -4.336
  446   2HB   GLU  17          2HB       GLU  17  12.928   6.681  -6.737
  447   2HG   GLU  17          2HG       GLU  17  10.261   5.786  -5.573
  448    H    ASN  18           H        ASN  18  11.967  10.198  -4.251
  449    HA   ASN  18           HA       ASN  18  14.322  11.225  -5.675
  450   2HB   ASN  18          2HB       ASN  18  12.221  12.914  -4.288
  451   1HD2  ASN  18          1HD2      ASN  18  13.370  12.316  -7.593
  452   2HD2  ASN  18          2HD2      ASN  18  14.066  13.920  -7.828
  453    H    GLU  19           H        GLU  19  13.114  10.461  -2.495
  454    HA   GLU  19           HA       GLU  19  14.889  12.338  -1.106
  455   2HB   GLU  19          2HB       GLU  19  13.693  11.322   0.923
  456   2HG   GLU  19          2HG       GLU  19  11.411  12.209   0.390
  457    H    ASP  20           H        ASP  20  14.257   9.038  -0.083
  458    HA   ASP  20           HA       ASP  20  17.133   8.366  -0.289
  459   2HB   ASP  20          2HB       ASP  20  16.949   7.390   2.079
  460    H    LYS  21           H        LYS  21  16.546   7.029  -1.917
  461    HA   LYS  21           HA       LYS  21  15.052   4.566  -1.678
  462   2HB   LYS  21          2HB       LYS  21  16.789   3.629  -3.208
  463   2HG   LYS  21          2HG       LYS  21  15.906   6.390  -4.148
  464   2HD   LYS  21          2HD       LYS  21  16.408   3.734  -5.565
  465   2HE   LYS  21          2HE       LYS  21  14.597   5.165  -6.612
  466   1HZ   LYS  21          1HZ       LYS  21  15.501   7.051  -7.912
  467   2HZ   LYS  21          2HZ       LYS  21  15.535   7.373  -6.323
  468   3HZ   LYS  21          3HZ       LYS  21  16.918   6.961  -7.110
  469    H    ARG  22           H        ARG  22  18.022   5.557  -0.219
  470    HA   ARG  22           HA       ARG  22  18.930   3.091   0.991
  471   2HB   ARG  22          2HB       ARG  22  20.289   4.600   2.391
  472   2HG   ARG  22          2HG       ARG  22  20.943   4.150  -0.042
  473   2HD   ARG  22          2HD       ARG  22  19.556   5.778  -1.269
  474    HE   ARG  22           HE       ARG  22  19.851   7.658   0.640
  475   1HH1  ARG  22          1HH1      ARG  22  21.327   7.763  -2.550
  476   2HH1  ARG  22          2HH1      ARG  22  21.338   9.508  -2.542
  477   1HH2  ARG  22          1HH2      ARG  22  19.778   9.761   0.515
  478   2HH2  ARG  22          2HH2      ARG  22  20.494  10.635  -0.838
  479    H    LYS  23           H        LYS  23  16.423   5.269   1.851
  480    HA   LYS  23           HA       LYS  23  15.800   3.911   4.432
  481   2HB   LYS  23          2HB       LYS  23  15.669   6.009   5.667
  482   2HG   LYS  23          2HG       LYS  23  18.443   5.828   4.396
  483   2HD   LYS  23          2HD       LYS  23  19.187   6.626   6.633
  484   2HE   LYS  23          2HE       LYS  23  17.309   8.544   5.184
  485   1HZ   LYS  23          1HZ       LYS  23  19.689   9.088   6.870
  486   2HZ   LYS  23          2HZ       LYS  23  18.820  10.211   6.064
  487   3HZ   LYS  23          3HZ       LYS  23  18.142   9.396   7.304
  488    HA   PRO  24           HA       PRO  24  12.404   5.076   1.473
  489   2HB   PRO  24          2HB       PRO  24  12.486   2.926   0.586
  490   2HG   PRO  24          2HG       PRO  24  12.928   1.016   1.982
  491   2HD   PRO  24          2HD       PRO  24  14.733   2.444   2.213
  492    H    TYR  25           H        TYR  25  10.187   5.596   1.746
  493    HA   TYR  25           HA       TYR  25   9.119   5.745   4.510
  494   2HB   TYR  25          2HB       TYR  25   7.223   6.886   3.511
  495    HD1  TYR  25           HD1      TYR  25  10.105   7.702   1.237
  496    HD2  TYR  25           HD2      TYR  25   7.714   8.851   4.621
  497    HE1  TYR  25           HE1      TYR  25  11.176   9.924   1.194
  498    HE2  TYR  25           HE2      TYR  25   8.847  11.082   4.651
  499    HH   TYR  25           HH       TYR  25  11.341  11.981   2.270
  500    H    SER  26           H        SER  26   6.665   5.111   4.584
  501    HA   SER  26           HA       SER  26   6.184   2.433   3.372
  502   2HB   SER  26          2HB       SER  26   7.088   1.955   5.531
  503    HG   SER  26           HG       SER  26   6.316   2.772   7.397
  504    H    ASP  27           H        ASP  27   3.833   1.797   3.686
  505    HA   ASP  27           HA       ASP  27   2.163   3.754   2.635
  506   2HB   ASP  27          2HB       ASP  27   1.730   1.463   2.333
  507    H    GLN  28           H        GLN  28   2.654   3.194   6.159
  508    HA   GLN  28           HA       GLN  28   0.621   5.130   6.915
  509   2HB   GLN  28          2HB       GLN  28   3.037   3.950   8.327
  510   2HG   GLN  28          2HG       GLN  28   2.706   6.144   9.311
  511   1HE2  GLN  28          1HE2      GLN  28   1.000   7.567   8.321
  512   2HE2  GLN  28          2HE2      GLN  28  -0.598   7.575   9.059
  513    H    GLU  29           H        GLU  29   4.241   5.373   6.482
  514    HA   GLU  29           HA       GLU  29   4.302   8.102   7.256
  515   2HB   GLU  29          2HB       GLU  29   6.571   8.000   6.230
  516   2HG   GLU  29          2HG       GLU  29   7.526   6.175   7.631
  517    H    ILE  30           H        ILE  30   4.244   6.733   3.916
  518    HA   ILE  30           HA       ILE  30   4.124   9.322   2.668
  519    HB   ILE  30           HB       ILE  30   3.426   8.302   0.668
  520   2HG1  ILE  30          2HG1      ILE  30   1.752   6.775   1.274
  521   1HG2  ILE  30          1HG2      ILE  30   5.324   6.947   0.264
  522   2HG2  ILE  30          2HG2      ILE  30   5.799   8.120   1.494
  523   3HG2  ILE  30          3HG2      ILE  30   5.429   6.440   1.962
  524   1HD1  ILE  30          1HD1      ILE  30   3.095   6.000  -0.714
  525   2HD1  ILE  30          2HD1      ILE  30   4.011   4.953   0.393
  526   3HD1  ILE  30          3HD1      ILE  30   2.286   4.686   0.160
  527    H    ALA  31           H        ALA  31   1.548   7.329   4.096
  528    HA   ALA  31           HA       ALA  31  -0.638   8.896   2.939
  529   1HB   ALA  31          1HB       ALA  31  -0.432   7.189   5.461
  530   2HB   ALA  31          2HB       ALA  31  -1.939   7.940   4.897
  531   3HB   ALA  31          3HB       ALA  31  -1.128   6.731   3.898
  532    H    ASN  32           H        ASN  32   1.422   9.309   5.774
  533    HA   ASN  32           HA       ASN  32  -0.121  11.390   7.034
  534   2HB   ASN  32          2HB       ASN  32   2.804  10.591   7.324
  535   1HD2  ASN  32          1HD2      ASN  32   3.912  12.264   8.343
  536   2HD2  ASN  32          2HD2      ASN  32   3.191  13.271   9.593
  537    H    ILE  33           H        ILE  33   2.906  11.617   5.128
  538    HA   ILE  33           HA       ILE  33   3.005  14.494   5.276
  539    HB   ILE  33           HB       ILE  33   4.142  12.941   2.951
  540   2HG1  ILE  33          2HG1      ILE  33   4.836  12.518   5.755
  541   1HG2  ILE  33          1HG2      ILE  33   5.069  15.479   4.342
  542   2HG2  ILE  33          2HG2      ILE  33   5.871  14.682   2.966
  543   3HG2  ILE  33          3HG2      ILE  33   4.262  15.371   2.767
  544   1HD1  ILE  33          1HD1      ILE  33   4.812  10.979   3.710
  545   2HD1  ILE  33          2HD1      ILE  33   6.395  11.656   3.296
  546   3HD1  ILE  33          3HD1      ILE  33   6.165  10.784   4.845
  547    H    LEU  34           H        LEU  34   1.367  12.351   3.055
  548    HA   LEU  34           HA       LEU  34   0.624  14.239   1.005
  549   2HB   LEU  34          2HB       LEU  34  -1.325  12.351   0.921
  550    HG   LEU  34           HG       LEU  34   0.070  12.397  -0.953
  551   1HD1  LEU  34          1HD1      LEU  34   2.169  13.162  -0.099
  552   2HD1  LEU  34          2HD1      LEU  34   2.427  11.677   0.826
  553   3HD1  LEU  34          3HD1      LEU  34   2.460  11.649  -0.956
  554   1HD2  LEU  34          1HD2      LEU  34   0.685  10.091  -1.343
  555   2HD2  LEU  34          2HD2      LEU  34   0.688   9.748   0.402
  556   3HD2  LEU  34          3HD2      LEU  34  -0.825  10.152  -0.429
  557    H    LYS  35           H        LYS  35  -0.570  13.725   4.183
  558    HA   LYS  35           HA       LYS  35  -3.102  15.176   3.691
  559   2HB   LYS  35          2HB       LYS  35  -2.409  13.223   5.460
  560   2HG   LYS  35          2HG       LYS  35  -2.723  15.674   7.236
  561   2HD   LYS  35          2HD       LYS  35  -1.782  12.815   7.711
  562   2HE   LYS  35          2HE       LYS  35  -0.619  14.463   9.178
  563   1HZ   LYS  35          1HZ       LYS  35  -3.357  15.009  10.204
  564   2HZ   LYS  35          2HZ       LYS  35  -1.974  15.531  10.892
  565   3HZ   LYS  35          3HZ       LYS  35  -2.414  16.100   9.429
  566    H    GLU  36           H        GLU  36   0.127  16.096   4.180
  567    HA   GLU  36           HA       GLU  36  -0.544  18.596   5.656
  568   2HB   GLU  36          2HB       GLU  36   1.847  18.977   5.728
  569   2HG   GLU  36          2HG       GLU  36   1.379  16.053   6.420
  570    H    LYS  37           H        LYS  37  -0.416  17.543   2.449
  571    HA   LYS  37           HA       LYS  37  -0.105  20.373   1.451
  572   2HB   LYS  37          2HB       LYS  37   1.913  19.586   0.809
  573   2HG   LYS  37          2HG       LYS  37   0.675  16.891   0.144
  574   2HD   LYS  37          2HD       LYS  37   3.542  17.926  -0.127
  575   2HE   LYS  37          2HE       LYS  37   2.299  15.173   0.115
  576   1HZ   LYS  37          1HZ       LYS  37   4.507  14.335  -0.553
  577   2HZ   LYS  37          2HZ       LYS  37   3.855  15.173  -1.798
  578   3HZ   LYS  37          3HZ       LYS  37   5.031  15.845  -0.878
  579    HN2  GLY  38           HN2      GLY  38  -1.989  17.366   0.944
  580   1HA   GLY  38          1HA       GLY  38  -4.225  18.796   1.156
  581   2HA   GLY  38          2HA       GLY  38  -3.906  19.113  -0.547
  582    H    PHE  39           H        PHE  39  -2.884  15.938   0.294
  583    HA   PHE  39           HA       PHE  39  -4.958  14.979  -1.491
  584   2HB   PHE  39          2HB       PHE  39  -3.617  12.962  -1.605
  585    HD1  PHE  39           HD1      PHE  39  -3.671  14.514  -3.686
  586    HD2  PHE  39           HD2      PHE  39  -0.639  14.720  -0.626
  587    HE1  PHE  39           HE1      PHE  39  -2.197  15.674  -5.255
  588    HE2  PHE  39           HE2      PHE  39   0.833  15.959  -2.184
  589    HZ   PHE  39           HZ       PHE  39   0.074  16.459  -4.507
  590    H    LYS  40           H        LYS  40  -4.405  15.056   1.812
  591    HA   LYS  40           HA       LYS  40  -4.948  13.842   3.700
  592   2HB   LYS  40          2HB       LYS  40  -6.477  15.600   3.620
  593   2HG   LYS  40          2HG       LYS  40  -7.781  14.202   1.394
  594   2HD   LYS  40          2HD       LYS  40  -9.985  15.426   2.030
  595   2HE   LYS  40          2HE       LYS  40  -9.523  12.952   1.552
  596   1HZ   LYS  40          1HZ       LYS  40  -9.930  11.488   3.395
  597   2HZ   LYS  40          2HZ       LYS  40 -10.046  12.734   4.469
  598   3HZ   LYS  40          3HZ       LYS  40  -8.616  12.357   3.736
  599    H    VAL  41           H        VAL  41  -4.324  11.886   1.758
  600    HA   VAL  41           HA       VAL  41  -6.529   9.935   1.832
  601    HB   VAL  41           HB       VAL  41  -5.583  10.069  -0.303
  602   1HG1  VAL  41          1HG1      VAL  41  -2.874   9.532   1.026
  603   2HG1  VAL  41          2HG1      VAL  41  -3.181   9.508  -0.719
  604   3HG1  VAL  41          3HG1      VAL  41  -3.382  11.011   0.175
  605   1HG2  VAL  41          1HG2      VAL  41  -6.123   7.758   0.526
  606   2HG2  VAL  41          2HG2      VAL  41  -4.830   7.751  -0.686
  607   3HG2  VAL  41          3HG2      VAL  41  -4.427   7.553   1.004
  608    H    ALA  42           H        ALA  42  -6.499   8.024   2.908
  609    HA   ALA  42           HA       ALA  42  -4.801   7.722   5.254
  610   1HB   ALA  42          1HB       ALA  42  -6.479   5.999   5.847
  611   2HB   ALA  42          2HB       ALA  42  -7.268   7.514   5.375
  612   3HB   ALA  42          3HB       ALA  42  -7.212   6.152   4.238
  613    H    ARG  43           H        ARG  43  -4.053   5.572   5.835
  614    HA   ARG  43           HA       ARG  43  -2.086   4.616   4.065
  615   2HB   ARG  43          2HB       ARG  43  -3.252   3.317   6.563
  616   2HG   ARG  43          2HG       ARG  43  -0.741   2.526   6.666
  617   2HD   ARG  43          2HD       ARG  43  -1.029   0.421   5.618
  618    HE   ARG  43           HE       ARG  43  -3.113   1.232   7.361
  619   1HH1  ARG  43          1HH1      ARG  43  -2.417  -1.302   5.016
  620   2HH1  ARG  43          2HH1      ARG  43  -3.521  -2.415   5.809
  621   1HH2  ARG  43          1HH2      ARG  43  -4.473  -0.335   8.303
  622   2HH2  ARG  43          2HH2      ARG  43  -4.545  -1.916   7.532
  623    H    ARG  44           H        ARG  44  -5.349   3.472   4.367
  624    HA   ARG  44           HA       ARG  44  -4.877   0.751   3.410
  625   2HB   ARG  44          2HB       ARG  44  -7.570   2.024   2.957
  626   2HG   ARG  44          2HG       ARG  44  -8.211   0.016   4.442
  627   2HD   ARG  44          2HD       ARG  44  -7.152  -0.144   1.661
  628    HE   ARG  44           HE       ARG  44  -7.787  -2.702   3.047
  629   1HH1  ARG  44          1HH1      ARG  44  -5.238  -0.880   1.401
  630   2HH1  ARG  44          2HH1      ARG  44  -4.240  -2.306   1.310
  631   1HH2  ARG  44          1HH2      ARG  44  -6.530  -4.457   2.642
  632   2HH2  ARG  44          2HH2      ARG  44  -4.899  -4.200   2.089
  633    H    THR  45           H        THR  45  -5.614   3.841   1.919
  634    HA   THR  45           HA       THR  45  -6.232   2.902  -0.697
  635    HB   THR  45           HB       THR  45  -5.422   5.649   0.302
  636    HG1  THR  45           HG1      THR  45  -7.342   6.045   1.166
  637   1HG2  THR  45          1HG2      THR  45  -7.520   4.748  -1.648
  638   2HG2  THR  45          2HG2      THR  45  -7.018   6.436  -1.346
  639   3HG2  THR  45          3HG2      THR  45  -5.898   5.309  -2.112
  640    H    VAL  46           H        VAL  46  -3.653   4.681   0.961
  641    HA   VAL  46           HA       VAL  46  -2.155   5.080  -1.333
  642    HB   VAL  46           HB       VAL  46  -2.173   6.140   1.132
  643   1HG1  VAL  46          1HG1      VAL  46  -1.080   4.288   2.242
  644   2HG1  VAL  46          2HG1      VAL  46   0.340   4.442   1.195
  645   3HG1  VAL  46          3HG1      VAL  46  -0.095   5.763   2.274
  646   1HG2  VAL  46          1HG2      VAL  46   0.310   6.178  -0.618
  647   2HG2  VAL  46          2HG2      VAL  46  -1.147   7.131  -0.932
  648   3HG2  VAL  46          3HG2      VAL  46  -0.228   7.436   0.530
  649    H    ALA  47           H        ALA  47  -2.283   2.406   0.911
  650    HA   ALA  47           HA       ALA  47   0.145   1.077   0.287
  651   1HB   ALA  47          1HB       ALA  47  -2.515   0.063   1.396
  652   2HB   ALA  47          2HB       ALA  47  -0.982  -0.836   1.424
  653   3HB   ALA  47          3HB       ALA  47  -1.148   0.664   2.348
  654    H    LYS  48           H        LYS  48  -3.143   0.995  -1.062
  655    HA   LYS  48           HA       LYS  48  -2.773  -1.298  -2.796
  656   2HB   LYS  48          2HB       LYS  48  -4.798  -0.171  -3.979
  657   2HG   LYS  48          2HG       LYS  48  -5.040  -0.811  -1.013
  658   2HD   LYS  48          2HD       LYS  48  -7.113  -0.871  -3.250
  659   2HE   LYS  48          2HE       LYS  48  -7.428  -1.292  -0.249
  660   1HZ   LYS  48          1HZ       LYS  48  -9.569  -2.259  -1.035
  661   2HZ   LYS  48          2HZ       LYS  48  -9.267  -1.714  -2.543
  662   3HZ   LYS  48          3HZ       LYS  48  -9.483  -0.662  -1.297
  663    H    TYR  49           H        TYR  49  -2.112   2.118  -3.014
  664    HA   TYR  49           HA       TYR  49  -1.829   2.133  -5.901
  665   2HB   TYR  49          2HB       TYR  49  -0.855   4.483  -5.329
  666    HD1  TYR  49           HD1      TYR  49  -4.002   2.471  -4.835
  667    HD2  TYR  49           HD2      TYR  49  -2.279   6.282  -5.850
  668    HE1  TYR  49           HE1      TYR  49  -6.119   3.140  -5.964
  669    HE2  TYR  49           HE2      TYR  49  -4.421   6.967  -6.948
  670    HH   TYR  49           HH       TYR  49  -6.998   6.012  -6.457
  671    H    ARG  50           H        ARG  50   0.621   2.400  -3.266
  672    HA   ARG  50           HA       ARG  50   2.852   2.332  -5.085
  673   2HB   ARG  50          2HB       ARG  50   3.334   2.881  -2.829
  674   2HG   ARG  50          2HG       ARG  50   2.234   0.163  -2.052
  675   2HD   ARG  50          2HD       ARG  50   4.383   0.174  -1.041
  676    HE   ARG  50           HE       ARG  50   4.094   3.046  -0.717
  677   1HH1  ARG  50          1HH1      ARG  50   5.636   0.282   0.784
  678   2HH1  ARG  50          2HH1      ARG  50   7.048   1.195   1.240
  679   1HH2  ARG  50          1HH2      ARG  50   5.912   4.188   0.013
  680   2HH2  ARG  50          2HH2      ARG  50   7.099   3.335   0.978
  681    H    GLU  51           H        GLU  51   0.717  -0.194  -4.173
  682    HA   GLU  51           HA       GLU  51   2.441  -2.379  -5.117
  683   2HB   GLU  51          2HB       GLU  51  -0.562  -2.542  -4.657
  684   2HG   GLU  51          2HG       GLU  51   0.137  -4.735  -3.587
  685    H    MET  52           H        MET  52  -0.134  -0.392  -6.526
  686    HA   MET  52           HA       MET  52  -0.290  -2.088  -8.930
  687   2HB   MET  52          2HB       MET  52  -2.274  -0.926  -7.765
  688   2HG   MET  52          2HG       MET  52  -1.488   1.296  -9.694
  689   1HE   MET  52          1HE       MET  52  -2.634   3.715  -8.138
  690   2HE   MET  52          2HE       MET  52  -2.830   3.447  -9.885
  691   3HE   MET  52          3HE       MET  52  -4.239   3.862  -8.887
  692    H    LEU  53           H        LEU  53   1.180   1.037  -8.100
  693    HA   LEU  53           HA       LEU  53   1.797   1.838 -10.805
  694   2HB   LEU  53          2HB       LEU  53   3.638   3.139  -9.496
  695    HG   LEU  53           HG       LEU  53   1.129   3.891 -10.255
  696   1HD1  LEU  53          1HD1      LEU  53   0.180   5.129  -8.187
  697   2HD1  LEU  53          2HD1      LEU  53  -0.065   3.382  -8.253
  698   3HD1  LEU  53          3HD1      LEU  53   1.199   4.076  -7.228
  699   1HD2  LEU  53          1HD2      LEU  53   1.848   6.162  -9.718
  700   2HD2  LEU  53          2HD2      LEU  53   2.976   5.537  -8.501
  701   3HD2  LEU  53          3HD2      LEU  53   3.228   5.224 -10.239
  702    HN2  GLY  54           HN2      GLY  54   4.005   0.536  -8.305
  703   1HA   GLY  54          1HA       GLY  54   5.030  -1.587  -9.884
  704   2HA   GLY  54          2HA       GLY  54   6.063  -0.200 -10.197
  705    H    ILE  55           H        ILE  55   5.182   0.095  -6.968
  706    HA   ILE  55           HA       ILE  55   7.808  -0.829  -6.067
  707    HB   ILE  55           HB       ILE  55   5.533   0.698  -4.840
  708   2HG1  ILE  55          2HG1      ILE  55   7.518   1.604  -6.343
  709   1HG2  ILE  55          1HG2      ILE  55   7.912  -0.417  -3.327
  710   2HG2  ILE  55          2HG2      ILE  55   6.858   0.872  -2.719
  711   3HG2  ILE  55          3HG2      ILE  55   6.192  -0.734  -2.997
  712   1HD1  ILE  55          1HD1      ILE  55   6.822   2.975  -3.704
  713   2HD1  ILE  55          2HD1      ILE  55   7.529   3.738  -5.138
  714   3HD1  ILE  55          3HD1      ILE  55   5.879   3.087  -5.207
  715    HA   PRO  56           HA       PRO  56   6.083  -4.793  -4.607
  716   2HB   PRO  56          2HB       PRO  56   8.071  -5.768  -5.127
  717   2HG   PRO  56          2HG       PRO  56  10.077  -4.565  -5.092
  718   2HD   PRO  56          2HD       PRO  56   8.888  -2.832  -6.119
  719    H    SER  57           H        SER  57   8.364  -3.418  -2.283
  720    HA   SER  57           HA       SER  57   6.228  -2.156  -0.716
  721   2HB   SER  57          2HB       SER  57   6.528  -4.491   0.187
  722    HG   SER  57           HG       SER  57   8.353  -4.929   1.342
  723    H    SER  58           H        SER  58   9.162  -2.011  -2.022
  724    HA   SER  58           HA       SER  58  11.123  -0.936  -1.916
  725   2HB   SER  58          2HB       SER  58  11.248   1.320  -0.869
  726    HG   SER  58           HG       SER  58   9.690   2.169  -2.329
  727    H    ARG  59           H        ARG  59  10.027  -2.401   0.851
  728    HA   ARG  59           HA       ARG  59  12.265  -1.759   2.685
  729   2HB   ARG  59          2HB       ARG  59   9.995  -3.792   2.684
  730   2HG   ARG  59          2HG       ARG  59  11.910  -3.220   4.971
  731   2HD   ARG  59          2HD       ARG  59   9.251  -4.690   4.702
  732    HE   ARG  59           HE       ARG  59  11.325  -5.589   6.386
  733   1HH1  ARG  59          1HH1      ARG  59   7.984  -4.561   6.799
  734   2HH1  ARG  59          2HH1      ARG  59   7.733  -5.618   8.150
  735   1HH2  ARG  59          1HH2      ARG  59  10.904  -6.976   8.062
  736   2HH2  ARG  59          2HH2      ARG  59   9.288  -7.085   8.715
  737    H    GLU  60           H        GLU  60  11.198  -4.203   0.428
  738    HA   GLU  60           HA       GLU  60  13.611  -5.818   0.701
  739   2HB   GLU  60          2HB       GLU  60  11.756  -7.140   0.297
  740   2HG   GLU  60          2HG       GLU  60  10.921  -5.192  -1.889
  741    H    ARG  61           H        ARG  61  12.677  -3.173  -1.339
  742    HA   ARG  61           HA       ARG  61  14.824  -3.510  -3.312
  743   2HB   ARG  61          2HB       ARG  61  14.397  -1.099  -3.801
  744   2HG   ARG  61          2HG       ARG  61  11.910  -2.849  -3.645
  745   2HD   ARG  61          2HD       ARG  61  11.319  -0.488  -4.074
  746    HE   ARG  61           HE       ARG  61  13.572  -0.488  -5.905
  747   1HH1  ARG  61          1HH1      ARG  61  10.400   0.914  -5.523
  748   2HH1  ARG  61          2HH1      ARG  61  10.760   2.262  -6.590
  749   1HH2  ARG  61          1HH2      ARG  61  14.015   1.294  -7.153
  750   2HH2  ARG  61          2HH2      ARG  61  12.791   2.535  -7.353
  751    H    ARG  62           H        ARG  62  14.482  -1.731  -0.216
  752    HA   ARG  62           HA       ARG  62  17.050  -0.420  -0.395
  753   2HB   ARG  62          2HB       ARG  62  14.963  -0.837   1.773
  754   2HG   ARG  62          2HG       ARG  62  16.576   1.547   2.109
  755   2HD   ARG  62          2HD       ARG  62  16.221  -0.961   3.761
  756    HE   ARG  62           HE       ARG  62  17.628   1.547   4.337
  757   1HH1  ARG  62          1HH1      ARG  62  15.775  -0.917   5.986
  758   2HH1  ARG  62          2HH1      ARG  62  16.504  -0.551   7.532
  759   1HH2  ARG  62          1HH2      ARG  62  18.523   1.947   6.282
  760   2HH2  ARG  62          2HH2      ARG  62  18.021   1.046   7.694
  761    H    ILE  63           H        ILE  63  15.866  -2.947   1.791
  762    HA   ILE  63           HA       ILE  63  18.173  -3.174   3.308
  763    HB   ILE  63           HB       ILE  63  15.840  -4.027   3.808
  764   2HG1  ILE  63          2HG1      ILE  63  18.200  -5.782   4.595
  765   1HG2  ILE  63          1HG2      ILE  63  16.819  -6.630   2.569
  766   2HG2  ILE  63          2HG2      ILE  63  15.243  -6.301   3.308
  767   3HG2  ILE  63          3HG2      ILE  63  15.679  -5.527   1.779
  768   1HD1  ILE  63          1HD1      ILE  63  18.465  -3.463   5.424
  769   2HD1  ILE  63          2HD1      ILE  63  16.784  -3.473   6.013
  770   3HD1  ILE  63          3HD1      ILE  63  17.998  -4.535   6.751
  Start of MODEL   17
    1   1H5*    T  64          1H5*        T  64  10.091  -4.136  19.302
    2   2H5*    T  64          2H5*        T  64   9.826  -2.431  18.950
    3    H4*    T  64           H4*        T  64  11.040  -3.368  17.142
    4    H3*    T  64           H3*        T  64   8.163  -2.937  16.332
    5   1H2*    T  64          1H2*        T  64   8.719  -3.675  14.202
    6   2H2*    T  64          2H2*        T  64  10.475  -3.418  14.456
    7    H1*    T  64           H1*        T  64  10.509  -5.636  14.902
    8    H3     T  64           H3         T  64   7.223  -8.155  13.210
    9   1H5M    T  64          1H5M        T  64   4.373  -6.991  16.783
   10   2H5M    T  64          2H5M        T  64   5.589  -7.564  17.946
   11   3H5M    T  64          3H5M        T  64   5.332  -5.821  17.707
   12    H6     T  64           H6         T  64   7.598  -5.277  17.050
   13    H5T    T  64           H5T        T  64   7.678  -2.812  18.570
   14   1H5*    T  65          1H5*        T  65  10.669  -1.445  13.313
   15   2H5*    T  65          2H5*        T  65  10.179   0.102  12.608
   16    H4*    T  65           H4*        T  65  10.333  -1.777  10.916
   17    H3*    T  65           H3*        T  65   7.857  -0.215  11.414
   18   1H2*    T  65          1H2*        T  65   6.422  -1.709  10.668
   19   2H2*    T  65          2H2*        T  65   7.399  -2.088   9.222
   20    H1*    T  65           H1*        T  65   8.398  -3.850  10.163
   21    H3     T  65           H3         T  65   4.858  -6.527  11.066
   22   1H5M    T  65          1H5M        T  65   4.268  -4.569  15.296
   23   2H5M    T  65          2H5M        T  65   5.707  -3.545  15.433
   24   3H5M    T  65          3H5M        T  65   4.230  -2.907  14.675
   25    H6     T  65           H6         T  65   6.771  -2.717  13.316
   26   1H5*    T  66          1H5*        T  66   8.805  -1.334   7.138
   27   2H5*    T  66          2H5*        T  66   8.442  -0.075   5.955
   28    H4*    T  66           H4*        T  66   7.678  -2.245   5.117
   29    H3*    T  66           H3*        T  66   6.042   0.022   5.209
   30   1H2*    T  66          1H2*        T  66   4.703  -0.732   6.932
   31   2H2*    T  66          2H2*        T  66   3.791  -1.479   5.614
   32    H1*    T  66           H1*        T  66   4.963  -3.561   5.819
   33    H3     T  66           H3         T  66   2.458  -5.633   8.962
   34   1H5M    T  66          1H5M        T  66   2.513  -1.760  11.643
   35   2H5M    T  66          2H5M        T  66   4.262  -1.936  11.895
   36   3H5M    T  66          3H5M        T  66   3.638  -0.687  10.793
   37    H6     T  66           H6         T  66   4.889  -1.461   8.927
   38   1H5*    T  67          1H5*        T  67   4.814  -3.925   3.645
   39   2H5*    T  67          2H5*        T  67   4.296  -3.816   1.964
   40    H4*    T  67           H4*        T  67   3.215  -5.697   3.086
   41    H3*    T  67           H3*        T  67   1.908  -3.729   1.590
   42   1H2*    T  67          1H2*        T  67   0.834  -2.767   3.510
   43   2H2*    T  67          2H2*        T  67  -0.407  -3.990   3.072
   44    H1*    T  67           H1*        T  67   0.660  -5.656   4.482
   45    H3     T  67           H3         T  67  -1.737  -4.808   8.202
   46   1H5M    T  67          1H5M        T  67   0.467  -0.268   7.801
   47   2H5M    T  67          2H5M        T  67   1.022  -1.135   9.245
   48   3H5M    T  67          3H5M        T  67   2.084  -1.004   7.832
   49    H6     T  67           H6         T  67   1.700  -2.352   5.878
   50   1H5*    G  68          1H5*        G  68   0.107  -8.337   1.762
   51   2H5*    G  68          2H5*        G  68  -0.408  -8.595   0.088
   52    H4*    G  68           H4*        G  68  -1.674 -10.004   1.637
   53    H3*    G  68           H3*        G  68  -2.903  -8.570  -0.364
   54    H1*    G  68           H1*        G  68  -4.315  -8.575   3.215
   55    H8     G  68           H8         G  68  -2.458  -5.227   2.416
   56    H1     G  68           H1         G  68  -5.717  -5.453   8.002
   57   1H2     G  68          1H2         G  68  -6.970  -7.357   7.936
   58   2H2     G  68          2H2         G  68  -6.570  -8.613   6.773
   59   1H2*    G  68          1H2*        G  68  -3.539  -6.717   0.952
   60   2H2*    G  68          2H2*        G  68  -5.011  -7.698   1.154
   61   1H5*    G  69          1H5*        G  69  -5.850 -11.440   2.386
   62   2H5*    G  69          2H5*        G  69  -6.603 -12.379   1.097
   63    H4*    G  69           H4*        G  69  -8.068 -12.346   2.971
   64    H3*    G  69           H3*        G  69  -8.959 -11.642   0.450
   65    H1*    G  69           H1*        G  69  -9.985  -9.634   3.612
   66    H8     G  69           H8         G  69  -7.406  -7.795   1.357
   67    H1     G  69           H1         G  69  -9.249  -4.553   6.623
   68   1H2     G  69          1H2         G  69 -10.905  -5.674   7.612
   69   2H2     G  69          2H2         G  69 -11.413  -7.234   6.972
   70   1H2*    G  69          1H2*        G  69  -8.945  -9.326   0.775
   71   2H2*    G  69          2H2*        G  69 -10.604  -9.648   1.331
   72   1H5*    C  70          1H5*        C  70 -12.367 -11.602   3.801
   73   2H5*    C  70          2H5*        C  70 -13.889 -12.218   3.136
   74    H4*    C  70           H4*        C  70 -14.290 -10.285   4.558
   75    H3*    C  70           H3*        C  70 -14.953 -10.132   1.673
   76    H1*    C  70           H1*        C  70 -14.175  -7.625   4.497
   77   1H4     C  70          1H4         C  70 -10.415  -2.852   2.961
   78   2H4     C  70          2H4         C  70  -9.602  -3.747   1.687
   79    H5     C  70           H5         C  70 -10.232  -6.017   1.098
   80    H6     C  70           H6         C  70 -11.831  -7.824   1.611
   81   1H2*    C  70          1H2*        C  70 -14.397  -7.952   1.487
   82   2H2*    C  70          2H2*        C  70 -15.651  -7.554   2.698
   83   1H5*    A  71          1H5*        A  71 -17.961  -8.251   4.845
   84   2H5*    A  71          2H5*        A  71 -19.619  -8.217   4.228
   85    H4*    A  71           H4*        A  71 -18.987  -6.074   5.273
   86    H3*    A  71           H3*        A  71 -19.475  -6.027   2.290
   87    H1*    A  71           H1*        A  71 -17.173  -3.764   4.513
   88    H8     A  71           H8         A  71 -16.559  -5.991   1.401
   89   1H6     A  71          1H6         A  71 -12.169  -1.614   0.308
   90   2H6     A  71          2H6         A  71 -12.702  -3.200  -0.274
   91    H2     A  71           H2         A  71 -14.644  -0.197   3.467
   92   1H2*    A  71          1H2*        A  71 -18.845  -3.781   2.191
   93   2H2*    A  71          2H2*        A  71 -19.278  -3.493   3.901
   94   1H5*    C  72          1H5*        C  72 -21.535  -3.262   5.393
   95   2H5*    C  72          2H5*        C  72 -23.085  -2.584   4.872
   96    H4*    C  72           H4*        C  72 -21.663  -0.869   5.923
   97    H3*    C  72           H3*        C  72 -22.155  -0.540   2.961
   98    H1*    C  72           H1*        C  72 -19.059   0.627   4.956
   99   1H4     C  72          1H4         C  72 -15.388  -0.198  -0.131
  100   2H4     C  72          2H4         C  72 -16.624  -1.106  -0.911
  101    H5     C  72           H5         C  72 -18.664  -1.817   0.130
  102    H6     C  72           H6         C  72 -20.133  -1.439   2.078
  103   1H2*    C  72          1H2*        C  72 -20.850   1.361   2.955
  104   2H2*    C  72          2H2*        C  72 -21.022   1.629   4.718
  105   1H5*    G  73          1H5*        G  73 -22.609   3.246   4.912
  106   2H5*    G  73          2H5*        G  73 -23.846   4.323   4.239
  107    H4*    G  73           H4*        G  73 -21.578   5.345   4.332
  108    H3*    G  73           H3*        G  73 -22.821   4.993   1.610
  109    H1*    G  73           H1*        G  73 -19.000   4.664   2.295
  110    H8     G  73           H8         G  73 -21.968   2.472   1.306
  111    H1     G  73           H1         G  73 -16.584   1.897  -2.199
  112   1H2     G  73          1H2         G  73 -15.625   3.944  -2.282
  113   2H2     G  73          2H2         G  73 -16.055   5.113  -1.040
  114   1H2*    G  73          1H2*        G  73 -20.811   5.879   0.651
  115   2H2*    G  73          2H2*        G  73 -20.265   6.527   2.225
  116   1H5*    T  74          1H5*        T  74 -20.614   8.657   2.370
  117   2H5*    T  74          2H5*        T  74 -21.233  10.159   1.667
  118    H4*    T  74           H4*        T  74 -18.776   9.719   1.185
  119    H3*    T  74           H3*        T  74 -20.696   9.844  -1.152
  120   1H2*    T  74          1H2*        T  74 -18.777   9.576  -2.545
  121   2H2*    T  74          2H2*        T  74 -17.663  10.021  -1.225
  122    H1*    T  74           H1*        T  74 -17.443   7.861  -0.835
  123    H3     T  74           H3         T  74 -18.198   4.922  -4.268
  124   1H5M    T  74          1H5M        T  74 -22.774   4.873  -3.094
  125   2H5M    T  74          2H5M        T  74 -22.324   4.481  -1.420
  126   3H5M    T  74          3H5M        T  74 -22.889   6.115  -1.836
  127    H6     T  74           H6         T  74 -20.898   7.303  -1.067
  128   1H5*    T  75          1H5*        T  75 -17.028  12.042  -1.484
  129   2H5*    T  75          2H5*        T  75 -17.144  13.651  -2.187
  130    H4*    T  75           H4*        T  75 -15.377  12.284  -3.217
  131    H3*    T  75           H3*        T  75 -17.398  13.754  -4.583
  132   1H2*    T  75          1H2*        T  75 -18.288  12.201  -5.813
  133   2H2*    T  75          2H2*        T  75 -16.818  12.180  -6.793
  134    H1*    T  75           H1*        T  75 -15.975  10.353  -5.814
  135    H3     T  75           H3         T  75 -18.514   6.680  -6.833
  136   1H5M    T  75          1H5M        T  75 -21.561   8.853  -3.517
  137   2H5M    T  75          2H5M        T  75 -21.627  10.397  -4.395
  138   3H5M    T  75          3H5M        T  75 -22.314   8.936  -5.126
  139    H6     T  75           H6         T  75 -19.208  10.836  -4.503
  140   1H5*    T  76          1H5*        T  76 -13.640  12.122  -6.519
  141   2H5*    T  76          2H5*        T  76 -12.742  13.184  -7.609
  142    H4*    T  76           H4*        T  76 -12.748  10.846  -8.426
  143    H3*    T  76           H3*        T  76 -13.894  13.060  -9.996
  144   1H2*    T  76          1H2*        T  76 -15.559  11.915 -10.918
  145   2H2*    T  76          2H2*        T  76 -14.410  10.711 -11.554
  146    H1*    T  76           H1*        T  76 -14.695   9.238  -9.921
  147    H3     T  76           H3         T  76 -19.029   7.739  -9.834
  148   1H5M    T  76          1H5M        T  76 -18.864  12.870  -8.054
  149   2H5M    T  76          2H5M        T  76 -20.332  12.321  -8.910
  150   3H5M    T  76          3H5M        T  76 -19.941  11.691  -7.288
  151    H6     T  76           H6         T  76 -16.940  12.011  -8.998
  152   1H5*    C  77          1H5*        C  77 -12.014   9.550 -12.327
  153   2H5*    C  77          2H5*        C  77 -11.276  10.035 -13.858
  154    H4*    C  77           H4*        C  77 -12.739   8.215 -14.346
  155    H3*    C  77           H3*        C  77 -14.178  10.767 -15.099
  156    H1*    C  77           H1*        C  77 -15.509   7.261 -14.083
  157   1H4     C  77          1H4         C  77 -20.775  10.216 -12.191
  158   2H4     C  77          2H4         C  77 -19.942  11.762 -11.978
  159    H5     C  77           H5         C  77 -17.595  12.037 -12.508
  160    H6     C  77           H6         C  77 -15.565  10.808 -13.346
  161    H3T    C  77           H3T        C  77 -12.254  10.348 -16.304
  162   1H2*    C  77          1H2*        C  77 -15.861   9.368 -15.973
  163   2H2*    C  77          2H2*        C  77 -14.759   7.969 -16.113
  164   1H5*    G  78          1H5*        G  78 -29.549   6.148 -15.914
  165   2H5*    G  78          2H5*        G  78 -29.969   4.539 -15.299
  166    H4*    G  78           H4*        G  78 -28.088   4.285 -16.738
  167    H3*    G  78           H3*        G  78 -27.400   4.039 -13.805
  168    H1*    G  78           H1*        G  78 -24.994   5.519 -16.548
  169    H8     G  78           H8         G  78 -26.961   6.892 -13.638
  170    H1     G  78           H1         G  78 -20.625   8.110 -13.427
  171   1H2     G  78          1H2         G  78 -19.605   6.698 -14.795
  172   2H2     G  78          2H2         G  78 -20.550   5.676 -15.878
  173   1H2*    G  78          1H2*        G  78 -25.157   3.964 -14.245
  174   2H2*    G  78          2H2*        G  78 -25.381   3.381 -15.930
  175    H5T    G  78           H5T        G  78 -30.043   6.158 -13.655
  176   1H5*    A  79          1H5*        A  79 -25.082   1.180 -15.870
  177   2H5*    A  79          2H5*        A  79 -25.028  -0.402 -15.082
  178    H4*    A  79           H4*        A  79 -22.755   0.610 -15.363
  179    H3*    A  79           H3*        A  79 -23.860  -0.075 -12.679
  180    H1*    A  79           H1*        A  79 -21.216   2.663 -13.797
  181    H8     A  79           H8         A  79 -24.636   3.151 -12.146
  182   1H6     A  79          1H6         A  79 -21.711   7.889  -9.194
  183   2H6     A  79          2H6         A  79 -23.301   7.117  -9.331
  184    H2     A  79           H2         A  79 -18.784   5.830 -11.530
  185   1H2*    A  79          1H2*        A  79 -22.429   1.222 -11.531
  186   2H2*    A  79          2H2*        A  79 -21.063   0.795 -12.567
  187   1H5*    A  80          1H5*        A  80 -19.851  -0.682 -14.510
  188   2H5*    A  80          2H5*        A  80 -18.830  -2.077 -14.124
  189    H4*    A  80           H4*        A  80 -17.534   0.098 -14.193
  190    H3*    A  80           H3*        A  80 -17.708  -1.326 -11.501
  191    H1*    A  80           H1*        A  80 -17.309   2.441 -12.252
  192    H8     A  80           H8         A  80 -19.948   0.214 -10.598
  193   1H6     A  80          1H6         A  80 -20.664   5.180  -6.815
  194   2H6     A  80          2H6         A  80 -21.379   3.615  -7.214
  195    H2     A  80           H2         A  80 -17.058   5.768  -9.090
  196   1H2*    A  80          1H2*        A  80 -16.508   0.406 -10.624
  197   2H2*    A  80          2H2*        A  80 -15.817   0.897 -12.193
  198   1H5*    A  81          1H5*        A  81 -13.832   0.169 -12.627
  199   2H5*    A  81          2H5*        A  81 -12.464  -0.838 -12.146
  200    H4*    A  81           H4*        A  81 -12.297   1.502 -11.230
  201    H3*    A  81           H3*        A  81 -12.280  -0.961  -9.611
  202    H1*    A  81           H1*        A  81 -13.411   2.682  -8.722
  203    H8     A  81           H8         A  81 -15.640  -0.397  -8.961
  204   1H6     A  81          1H6         A  81 -19.369   2.624  -4.896
  205   2H6     A  81          2H6         A  81 -19.147   1.052  -5.678
  206    H2     A  81           H2         A  81 -16.144   5.258  -5.920
  207   1H2*    A  81          1H2*        A  81 -13.400  -0.214  -7.911
  208   2H2*    A  81          2H2*        A  81 -12.203   1.044  -7.643
  209   1H5*    C  82          1H5*        C  82 -10.444   2.978  -8.961
  210   2H5*    C  82          2H5*        C  82  -8.869   3.268  -8.209
  211    H4*    C  82           H4*        C  82 -10.621   4.830  -7.364
  212    H3*    C  82           H3*        C  82  -9.254   2.897  -5.568
  213    H1*    C  82           H1*        C  82 -12.758   4.562  -5.414
  214   1H4     C  82          1H4         C  82 -16.955   0.622  -3.279
  215   2H4     C  82          2H4         C  82 -15.958  -0.740  -3.659
  216    H5     C  82           H5         C  82 -13.807  -0.539  -4.875
  217    H6     C  82           H6         C  82 -12.077   1.023  -5.540
  218   1H2*    C  82          1H2*        C  82 -10.824   2.732  -4.072
  219   2H2*    C  82          2H2*        C  82 -11.031   4.500  -3.919
  220   1H5*    G  83          1H5*        G  83  -9.555   7.661  -3.437
  221   2H5*    G  83          2H5*        G  83  -8.113   7.508  -2.444
  222    H4*    G  83           H4*        G  83  -9.938   8.629  -1.338
  223    H3*    G  83           H3*        G  83  -8.354   7.261   0.109
  224    H1*    G  83           H1*        G  83 -12.080   6.258   0.396
  225    H8     G  83           H8         G  83  -9.904   3.844  -1.744
  226    H1     G  83           H1         G  83 -15.365   1.306   0.527
  227   1H2     G  83          1H2         G  83 -16.069   2.642   2.198
  228   2H2     G  83          2H2         G  83 -15.403   4.260   2.370
  229   1H2*    G  83          1H2*        G  83  -9.328   5.133  -0.094
  230   2H2*    G  83          2H2*        G  83 -10.085   5.646   1.427
  231   1H5*    T  84          1H5*        T  84 -12.089   7.519   3.298
  232   2H5*    T  84          2H5*        T  84 -11.258   8.221   4.701
  233    H4*    T  84           H4*        T  84 -12.413   6.267   5.485
  234    H3*    T  84           H3*        T  84  -9.569   6.446   5.751
  235   1H2*    T  84          1H2*        T  84  -9.176   4.850   4.091
  236   2H2*    T  84          2H2*        T  84  -9.255   3.773   5.518
  237    H1*    T  84           H1*        T  84 -11.637   3.440   5.209
  238    H3     T  84           H3         T  84 -12.639   0.234   2.174
  239   1H5M    T  84          1H5M        T  84  -8.788   1.040  -0.207
  240   2H5M    T  84          2H5M        T  84  -8.415   2.721   0.208
  241   3H5M    T  84          3H5M        T  84  -7.742   1.381   1.172
  242    H6     T  84           H6         T  84  -9.141   3.539   2.442
  243   1H5*    G  85          1H5*        G  85 -13.310   5.431   9.000
  244   2H5*    G  85          2H5*        G  85 -12.914   5.497  10.719
  245    H4*    G  85           H4*        G  85 -13.866   3.341  10.265
  246    H3*    G  85           H3*        G  85 -10.873   3.264  10.662
  247    H1*    G  85           H1*        G  85 -13.438   0.995   8.790
  248    H8     G  85           H8         G  85 -10.184   2.617   7.478
  249    H1     G  85           H1         G  85 -12.018  -2.829   4.525
  250   1H2     G  85          1H2         G  85 -13.703  -3.725   5.674
  251   2H2     G  85          2H2         G  85 -14.342  -2.881   7.081
  252   1H2*    G  85          1H2*        G  85 -10.734   1.122   9.961
  253   2H2*    G  85          2H2*        G  85 -12.297   0.653  10.693
  254   1H5*    C  86          1H5*        C  86 -13.269   0.130  13.044
  255   2H5*    C  86          2H5*        C  86 -12.523  -0.121  14.627
  256    H4*    C  86           H4*        C  86 -13.003  -2.267  13.570
  257    H3*    C  86           H3*        C  86 -10.202  -1.482  14.142
  258    H1*    C  86           H1*        C  86 -11.778  -3.884  11.474
  259   1H4     C  86          1H4         C  86  -8.650  -2.860   6.054
  260   2H4     C  86          2H4         C  86  -8.050  -1.350   6.665
  261    H5     C  86           H5         C  86  -8.620  -0.377   8.744
  262    H6     C  86           H6         C  86  -9.749  -0.836  10.897
  263   1H2*    C  86          1H2*        C  86  -9.265  -2.597  12.451
  264   2H2*    C  86          2H2*        C  86 -10.073  -4.102  12.926
  265   1H5*    C  87          1H5*        C  87 -11.693  -5.861  14.766
  266   2H5*    C  87          2H5*        C  87 -10.793  -6.787  15.971
  267    H4*    C  87           H4*        C  87 -11.079  -8.094  13.927
  268    H3*    C  87           H3*        C  87  -8.240  -7.143  14.396
  269    H1*    C  87           H1*        C  87 -10.066  -7.970  11.058
  270   1H4     C  87          1H4         C  87  -6.688  -3.759   7.862
  271   2H4     C  87          2H4         C  87  -6.245  -2.924   9.338
  272    H5     C  87           H5         C  87  -6.732  -3.685  11.427
  273    H6     C  87           H6         C  87  -8.005  -5.364  12.781
  274   1H2*    C  87          1H2*        C  87  -7.608  -8.304  12.432
  275   2H2*    C  87          2H2*        C  87  -9.056  -9.350  12.482
  276   1H5*    A  88          1H5*        A  88  -8.361 -11.185  13.365
  277   2H5*    A  88          2H5*        A  88  -7.331 -12.280  14.275
  278    H4*    A  88           H4*        A  88  -7.116 -12.389  11.777
  279    H3*    A  88           H3*        A  88  -5.084 -12.644  13.677
  280    H1*    A  88           H1*        A  88  -4.680 -10.606  10.361
  281    H8     A  88           H8         A  88  -5.407  -8.411  13.501
  282   1H6     A  88          1H6         A  88  -2.472  -3.938  10.233
  283   2H6     A  88          2H6         A  88  -3.340  -4.247  11.737
  284    H2     A  88           H2         A  88  -2.452  -7.507   7.817
  285   1H2*    A  88          1H2*        A  88  -4.096 -10.576  13.335
  286   2H2*    A  88          2H2*        A  88  -3.237 -11.435  12.031
  287   1H5*    A  89          1H5*        A  89  -4.408 -13.247   9.167
  288   2H5*    A  89          2H5*        A  89  -3.765 -14.872   8.914
  289    H4*    A  89           H4*        A  89  -3.104 -13.393   7.104
  290    H3*    A  89           H3*        A  89  -1.336 -15.037   8.487
  291    H1*    A  89           H1*        A  89  -0.493 -11.465   7.389
  292    H8     A  89           H8         A  89  -1.028 -11.754  11.246
  293   1H6     A  89          1H6         A  89   1.033  -5.822  11.192
  294   2H6     A  89          2H6         A  89   0.468  -7.096  12.280
  295    H2     A  89           H2         A  89   0.836  -7.187   7.106
  296   1H2*    A  89          1H2*        A  89  -0.305 -13.372   9.742
  297   2H2*    A  89          2H2*        A  89   0.732 -13.259   8.292
  298   1H5*    A  90          1H5*        A  90   0.713 -12.757   4.797
  299   2H5*    A  90          2H5*        A  90   1.521 -14.024   3.865
  300    H4*    A  90           H4*        A  90   2.857 -12.038   3.773
  301    H3*    A  90           H3*        A  90   3.910 -14.487   4.748
  302    H1*    A  90           H1*        A  90   4.784 -10.938   6.005
  303    H8     A  90           H8         A  90   2.908 -13.142   8.623
  304   1H6     A  90          1H6         A  90   3.374  -7.989  12.189
  305   2H6     A  90          2H6         A  90   2.697  -9.617  12.178
  306    H2     A  90           H2         A  90   5.466  -7.226   8.515
  307   1H2*    A  90          1H2*        A  90   4.243 -13.794   6.916
  308   2H2*    A  90          2H2*        A  90   5.749 -13.096   6.260
  309   1H5*    A  91          1H5*        A  91   7.098 -11.147   3.306
  310   2H5*    A  91          2H5*        A  91   8.568 -11.956   2.737
  311    H4*    A  91           H4*        A  91   9.213 -10.069   4.104
  312    H3*    A  91           H3*        A  91   9.526 -12.700   5.619
  313    H1*    A  91           H1*        A  91   8.927  -9.089   6.858
  314    H8     A  91           H8         A  91   7.670 -12.666   7.527
  315   1H6     A  91          1H6         A  91   5.940 -10.094  13.030
  316   2H6     A  91          2H6         A  91   5.895 -11.629  12.158
  317    H2     A  91           H2         A  91   8.008  -7.110  10.759
  318    H3T    A  91           H3T        A  91  10.937 -12.428   3.808
  319   1H2*    A  91          1H2*        A  91  10.403 -11.491   7.409
  320   2H2*    A  91          2H2*        A  91  10.885 -10.113   6.374
  321   1H    HIS   1          1H        HIS   1 -15.005   7.573  -3.748
  322   2H    HIS   1          2H        HIS   1 -14.419   6.210  -4.425
  323   3H    HIS   1          3H        HIS   1 -14.805   7.512  -5.373
  324    HA   HIS   1           HA       HIS   1 -12.631   7.360  -3.403
  325   2HB   HIS   1          2HB       HIS   1 -11.704   6.286  -5.206
  326    HD1  HIS   1           HD1      HIS   1 -13.876   5.432  -7.009
  327    HD2  HIS   1           HD2      HIS   1 -11.578   8.899  -7.793
  328    HE1  HIS   1           HE1      HIS   1 -14.234   5.980  -9.419
  329    H    MET   2           H        MET   2 -12.006   9.154  -2.496
  330    HA   MET   2           HA       MET   2 -13.374  11.620  -2.949
  331   2HB   MET   2          2HB       MET   2 -10.813  11.115  -1.375
  332   2HG   MET   2          2HG       MET   2 -11.384  13.515  -1.599
  333   1HE   MET   2          1HE       MET   2 -12.820  15.218   0.595
  334   2HE   MET   2          2HE       MET   2 -12.700  15.704  -1.115
  335   3HE   MET   2          3HE       MET   2 -14.267  15.770  -0.280
  336    H    LEU   3           H        LEU   3 -10.064  10.589  -3.905
  337    HA   LEU   3           HA       LEU   3  -9.439  13.185  -5.104
  338   2HB   LEU   3          2HB       LEU   3  -7.289  11.866  -5.659
  339    HG   LEU   3           HG       LEU   3  -7.984  11.798  -2.704
  340   1HD1  LEU   3          1HD1      LEU   3  -5.299  12.523  -3.891
  341   2HD1  LEU   3          2HD1      LEU   3  -5.705  11.739  -2.335
  342   3HD1  LEU   3          3HD1      LEU   3  -5.774  10.843  -3.868
  343   1HD2  LEU   3          1HD2      LEU   3  -7.034  14.078  -4.478
  344   2HD2  LEU   3          2HD2      LEU   3  -8.489  14.066  -3.443
  345   3HD2  LEU   3          3HD2      LEU   3  -6.904  14.095  -2.699
  346    H    THR   4           H        THR   4  -8.161  12.942  -7.241
  347    HA   THR   4           HA       THR   4 -10.121  12.295  -9.312
  348    HB   THR   4           HB       THR   4  -8.477  13.140 -10.886
  349    HG1  THR   4           HG1      THR   4  -6.481  13.865 -10.067
  350   1HG2  THR   4          1HG2      THR   4  -8.503  14.927  -8.425
  351   2HG2  THR   4          2HG2      THR   4  -8.189  15.412 -10.103
  352   3HG2  THR   4          3HG2      THR   4  -9.791  14.814  -9.644
  353    H    GLN   5           H        GLN   5  -8.983  11.282 -11.351
  354    HA   GLN   5           HA       GLN   5  -8.701   8.569 -11.301
  355   2HB   GLN   5          2HB       GLN   5  -8.891   9.998 -13.251
  356   2HG   GLN   5          2HG       GLN   5  -5.887  10.473 -13.131
  357   1HE2  GLN   5          1HE2      GLN   5  -8.817  12.221 -14.352
  358   2HE2  GLN   5          2HE2      GLN   5  -8.237  12.279 -16.018
  359    HN2  GLY   6           HN2      GLY   6  -6.075  10.756 -10.228
  360   1HA   GLY   6          1HA       GLY   6  -4.903   8.546  -8.841
  361   2HA   GLY   6          2HA       GLY   6  -3.932   8.954 -10.257
  362    H    GLU   7           H        GLU   7  -5.621  11.331  -7.920
  363    HA   GLU   7           HA       GLU   7  -3.329  12.955  -7.965
  364   2HB   GLU   7          2HB       GLU   7  -4.965  13.609  -5.765
  365   2HG   GLU   7          2HG       GLU   7  -4.858  14.542  -8.662
  366    H    LEU   8           H        LEU   8  -3.902  10.178  -6.182
  367    HA   LEU   8           HA       LEU   8  -1.470  10.788  -4.503
  368   2HB   LEU   8          2HB       LEU   8  -3.548  10.347  -3.260
  369    HG   LEU   8           HG       LEU   8  -3.991   8.165  -4.937
  370   1HD1  LEU   8          1HD1      LEU   8  -2.988   7.113  -2.246
  371   2HD1  LEU   8          2HD1      LEU   8  -3.704   6.150  -3.546
  372   3HD1  LEU   8          3HD1      LEU   8  -2.123   6.915  -3.788
  373   1HD2  LEU   8          1HD2      LEU   8  -5.909   8.696  -3.884
  374   2HD2  LEU   8          2HD2      LEU   8  -5.470   7.406  -2.779
  375   3HD2  LEU   8          3HD2      LEU   8  -5.113   9.087  -2.342
  376    H    MET   9           H        MET   9  -2.422   9.053  -7.232
  377    HA   MET   9           HA       MET   9  -0.643   6.720  -6.918
  378   2HB   MET   9          2HB       MET   9  -2.687   7.625  -8.890
  379   2HG   MET   9          2HG       MET   9  -0.181   6.259  -9.754
  380   1HE   MET   9          1HE       MET   9  -3.483   6.962 -11.777
  381   2HE   MET   9          2HE       MET   9  -4.198   5.342 -11.905
  382   3HE   MET   9          3HE       MET   9  -4.135   6.155 -10.329
  383    H    LYS  10           H        LYS  10  -0.765   9.521  -9.102
  384    HA   LYS  10           HA       LYS  10   1.927   8.964 -10.087
  385   2HB   LYS  10          2HB       LYS  10   0.164   9.750 -11.536
  386   2HG   LYS  10          2HG       LYS  10   0.281  12.578 -10.602
  387   2HD   LYS  10          2HD       LYS  10  -2.118  10.871 -11.410
  388   2HE   LYS  10          2HE       LYS  10  -2.584  13.011 -10.224
  389   1HZ   LYS  10          1HZ       LYS  10  -0.788  14.381 -11.148
  390   2HZ   LYS  10          2HZ       LYS  10  -2.231  15.051 -11.507
  391   3HZ   LYS  10          3HZ       LYS  10  -1.402  14.248 -12.658
  392    H    LEU  11           H        LEU  11   1.558   9.709  -7.228
  393    HA   LEU  11           HA       LEU  11   3.463  11.973  -6.841
  394   2HB   LEU  11          2HB       LEU  11   2.196  12.323  -4.680
  395    HG   LEU  11           HG       LEU  11   0.254  13.482  -5.430
  396   1HD1  LEU  11          1HD1      LEU  11   1.247  15.044  -7.019
  397   2HD1  LEU  11          2HD1      LEU  11   2.460  14.533  -5.825
  398   3HD1  LEU  11          3HD1      LEU  11   2.479  13.842  -7.467
  399   1HD2  LEU  11          1HD2      LEU  11  -0.375  11.663  -7.194
  400   2HD2  LEU  11          2HD2      LEU  11  -0.733  13.361  -7.574
  401   3HD2  LEU  11          3HD2      LEU  11   0.692  12.590  -8.266
  402    H    ILE  12           H        ILE  12   2.156   8.878  -5.450
  403    HA   ILE  12           HA       ILE  12   4.074   8.859  -3.307
  404    HB   ILE  12           HB       ILE  12   3.538   6.477  -3.044
  405   2HG1  ILE  12          2HG1      ILE  12   2.485   6.655  -5.760
  406   1HG2  ILE  12          1HG2      ILE  12   1.085   6.871  -2.540
  407   2HG2  ILE  12          2HG2      ILE  12   2.261   7.979  -1.794
  408   3HG2  ILE  12          3HG2      ILE  12   1.306   8.497  -3.190
  409   1HD1  ILE  12          1HD1      ILE  12   2.349   4.171  -5.460
  410   2HD1  ILE  12          2HD1      ILE  12   3.917   4.809  -4.922
  411   3HD1  ILE  12          3HD1      ILE  12   2.663   4.368  -3.737
  412    H    LYS  13           H        LYS  13   4.264   7.695  -6.597
  413    HA   LYS  13           HA       LYS  13   6.908   6.372  -6.114
  414   2HB   LYS  13          2HB       LYS  13   5.396   5.315  -7.647
  415   2HG   LYS  13          2HG       LYS  13   4.367   7.532  -8.610
  416   2HD   LYS  13          2HD       LYS  13   6.586   6.983 -10.640
  417   2HE   LYS  13          2HE       LYS  13   4.262   8.960 -10.620
  418   1HZ   LYS  13          1HZ       LYS  13   6.348   8.489 -12.676
  419   2HZ   LYS  13          2HZ       LYS  13   6.237   9.826 -11.737
  420   3HZ   LYS  13          3HZ       LYS  13   5.074   9.498 -12.838
  421    H    GLU  14           H        GLU  14   5.896   9.469  -6.622
  422    HA   GLU  14           HA       GLU  14   8.147  10.350  -8.354
  423   2HB   GLU  14          2HB       GLU  14   5.718  11.947  -7.453
  424   2HG   GLU  14          2HG       GLU  14   7.444  13.317  -8.563
  425    H    ILE  15           H        ILE  15   7.164  10.372  -5.021
  426    HA   ILE  15           HA       ILE  15   9.340  12.297  -4.365
  427    HB   ILE  15           HB       ILE  15   8.404  12.542  -2.209
  428   2HG1  ILE  15          2HG1      ILE  15   6.745  10.172  -2.894
  429   1HG2  ILE  15          1HG2      ILE  15   6.178  12.891  -4.246
  430   2HG2  ILE  15          2HG2      ILE  15   6.392  13.770  -2.719
  431   3HG2  ILE  15          3HG2      ILE  15   7.564  13.980  -4.030
  432   1HD1  ILE  15          1HD1      ILE  15   7.427  11.518  -0.245
  433   2HD1  ILE  15          2HD1      ILE  15   6.742   9.893  -0.468
  434   3HD1  ILE  15          3HD1      ILE  15   8.393  10.247  -1.023
  435    H    VAL  16           H        VAL  16   8.029   8.971  -3.601
  436    HA   VAL  16           HA       VAL  16  10.222   8.455  -1.884
  437    HB   VAL  16           HB       VAL  16   8.504   6.383  -3.312
  438   1HG1  VAL  16          1HG1      VAL  16  10.436   6.273  -0.963
  439   2HG1  VAL  16          2HG1      VAL  16   9.221   4.998  -1.272
  440   3HG1  VAL  16          3HG1      VAL  16  10.489   5.320  -2.457
  441   1HG2  VAL  16          1HG2      VAL  16   7.159   7.912  -1.845
  442   2HG2  VAL  16          2HG2      VAL  16   7.260   6.279  -1.194
  443   3HG2  VAL  16          3HG2      VAL  16   8.255   7.579  -0.505
  444    H    GLU  17           H        GLU  17   9.933   8.126  -5.401
  445    HA   GLU  17           HA       GLU  17  12.503   6.589  -5.518
  446   2HB   GLU  17          2HB       GLU  17  12.305   6.723  -7.961
  447   2HG   GLU  17          2HG       GLU  17  10.186   5.496  -8.329
  448    H    ASN  18           H        ASN  18  11.821   9.706  -4.815
  449    HA   ASN  18           HA       ASN  18  14.140  10.861  -6.264
  450   2HB   ASN  18          2HB       ASN  18  12.509  12.881  -5.104
  451   1HD2  ASN  18          1HD2      ASN  18  10.672  12.541  -7.647
  452   2HD2  ASN  18          2HD2      ASN  18  11.718  13.172  -8.925
  453    H    GLU  19           H        GLU  19  13.095   9.862  -3.105
  454    HA   GLU  19           HA       GLU  19  14.774  11.901  -1.756
  455   2HB   GLU  19          2HB       GLU  19  13.563  10.982   0.293
  456   2HG   GLU  19          2HG       GLU  19  11.276  11.853  -0.405
  457    H    ASP  20           H        ASP  20  14.259   8.821  -0.245
  458    HA   ASP  20           HA       ASP  20  17.098   8.047  -0.629
  459   2HB   ASP  20          2HB       ASP  20  17.102   7.453   1.875
  460    H    LYS  21           H        LYS  21  16.254   6.529  -2.024
  461    HA   LYS  21           HA       LYS  21  14.679   4.245  -1.219
  462   2HB   LYS  21          2HB       LYS  21  15.904   3.071  -3.050
  463   2HG   LYS  21          2HG       LYS  21  14.929   5.883  -3.744
  464   2HD   LYS  21          2HD       LYS  21  16.053   4.795  -5.674
  465   2HE   LYS  21          2HE       LYS  21  14.005   2.628  -5.088
  466   1HZ   LYS  21          1HZ       LYS  21  14.591   1.756  -7.285
  467   2HZ   LYS  21          2HZ       LYS  21  15.435   3.111  -7.635
  468   3HZ   LYS  21          3HZ       LYS  21  13.809   3.185  -7.397
  469    H    ARG  22           H        ARG  22  17.853   5.183  -0.352
  470    HA   ARG  22           HA       ARG  22  18.849   2.777   0.930
  471   2HB   ARG  22          2HB       ARG  22  20.403   4.355   2.017
  472   2HG   ARG  22          2HG       ARG  22  20.741   3.673  -0.426
  473   2HD   ARG  22          2HD       ARG  22  19.267   5.225  -1.631
  474    HE   ARG  22           HE       ARG  22  19.880   7.266   0.054
  475   1HH1  ARG  22          1HH1      ARG  22  20.737   6.994  -3.340
  476   2HH1  ARG  22          2HH1      ARG  22  20.734   8.731  -3.543
  477   1HH2  ARG  22          1HH2      ARG  22  19.757   9.370  -0.307
  478   2HH2  ARG  22          2HH2      ARG  22  20.209  10.054  -1.859
  479    H    LYS  23           H        LYS  23  16.536   5.139   1.880
  480    HA   LYS  23           HA       LYS  23  16.152   4.033   4.616
  481   2HB   LYS  23          2HB       LYS  23  16.270   6.235   5.666
  482   2HG   LYS  23          2HG       LYS  23  18.858   5.810   4.105
  483   2HD   LYS  23          2HD       LYS  23  19.897   6.747   6.163
  484   2HE   LYS  23          2HE       LYS  23  17.922   8.634   4.805
  485   1HZ   LYS  23          1HZ       LYS  23  19.074   9.599   6.726
  486   2HZ   LYS  23          2HZ       LYS  23  19.599  10.285   5.340
  487   3HZ   LYS  23          3HZ       LYS  23  20.531   9.187   6.107
  488    HA   PRO  24           HA       PRO  24  12.659   5.221   1.816
  489   2HB   PRO  24          2HB       PRO  24  12.615   3.053   0.986
  490   2HG   PRO  24          2HG       PRO  24  12.975   1.172   2.410
  491   2HD   PRO  24          2HD       PRO  24  14.863   2.488   2.626
  492    H    TYR  25           H        TYR  25  10.337   5.543   2.025
  493    HA   TYR  25           HA       TYR  25   9.309   6.110   4.732
  494   2HB   TYR  25          2HB       TYR  25   7.334   6.950   3.570
  495    HD1  TYR  25           HD1      TYR  25  10.019   7.483   1.015
  496    HD2  TYR  25           HD2      TYR  25   7.878   9.067   4.404
  497    HE1  TYR  25           HE1      TYR  25  11.042   9.701   0.602
  498    HE2  TYR  25           HE2      TYR  25   8.962  11.276   4.052
  499    HH   TYR  25           HH       TYR  25  11.297  11.890   1.451
  500    H    SER  26           H        SER  26   6.686   5.395   4.566
  501    HA   SER  26           HA       SER  26   6.380   2.533   3.927
  502   2HB   SER  26          2HB       SER  26   7.114   2.451   6.257
  503    HG   SER  26           HG       SER  26   6.702   4.431   7.053
  504    H    ASP  27           H        ASP  27   3.957   1.949   4.116
  505    HA   ASP  27           HA       ASP  27   2.344   3.820   2.827
  506   2HB   ASP  27          2HB       ASP  27   1.857   1.521   2.694
  507    H    GLN  28           H        GLN  28   2.758   3.580   6.382
  508    HA   GLN  28           HA       GLN  28   0.692   5.533   6.962
  509   2HB   GLN  28          2HB       GLN  28   3.131   4.543   8.472
  510   2HG   GLN  28          2HG       GLN  28   2.708   6.796   9.270
  511   1HE2  GLN  28          1HE2      GLN  28   0.955   8.012   8.100
  512   2HE2  GLN  28          2HE2      GLN  28  -0.648   8.051   8.825
  513    H    GLU  29           H        GLU  29   4.291   5.805   6.525
  514    HA   GLU  29           HA       GLU  29   4.303   8.600   7.019
  515   2HB   GLU  29          2HB       GLU  29   6.586   8.408   5.987
  516   2HG   GLU  29          2HG       GLU  29   5.781   6.477   8.185
  517    H    ILE  30           H        ILE  30   4.294   6.893   3.825
  518    HA   ILE  30           HA       ILE  30   4.170   9.371   2.339
  519    HB   ILE  30           HB       ILE  30   3.559   8.181   0.427
  520   2HG1  ILE  30          2HG1      ILE  30   1.900   6.669   1.152
  521   1HG2  ILE  30          1HG2      ILE  30   5.566   6.487   1.938
  522   2HG2  ILE  30          2HG2      ILE  30   5.512   6.839   0.201
  523   3HG2  ILE  30          3HG2      ILE  30   5.913   8.129   1.336
  524   1HD1  ILE  30          1HD1      ILE  30   3.242   5.834  -0.796
  525   2HD1  ILE  30          2HD1      ILE  30   4.207   4.861   0.340
  526   3HD1  ILE  30          3HD1      ILE  30   2.483   4.542   0.149
  527    H    ALA  31           H        ALA  31   1.585   7.501   3.919
  528    HA   ALA  31           HA       ALA  31  -0.557   9.049   2.673
  529   1HB   ALA  31          1HB       ALA  31  -0.363   7.420   5.249
  530   2HB   ALA  31          2HB       ALA  31  -1.851   8.214   4.721
  531   3HB   ALA  31          3HB       ALA  31  -1.124   6.957   3.717
  532    H    ASN  32           H        ASN  32   1.511   9.550   5.483
  533    HA   ASN  32           HA       ASN  32   0.023  11.710   6.667
  534   2HB   ASN  32          2HB       ASN  32   2.929  10.856   6.921
  535   1HD2  ASN  32          1HD2      ASN  32   4.201  12.287   8.046
  536   2HD2  ASN  32          2HD2      ASN  32   3.563  13.473   9.179
  537    H    ILE  33           H        ILE  33   2.987  11.764   4.659
  538    HA   ILE  33           HA       ILE  33   3.246  14.627   4.631
  539    HB   ILE  33           HB       ILE  33   4.093  12.712   2.456
  540   2HG1  ILE  33          2HG1      ILE  33   4.951  12.618   5.178
  541   1HG2  ILE  33          1HG2      ILE  33   5.108  15.470   3.183
  542   2HG2  ILE  33          2HG2      ILE  33   5.971  14.344   2.107
  543   3HG2  ILE  33          3HG2      ILE  33   4.363  14.907   1.662
  544   1HD1  ILE  33          1HD1      ILE  33   6.382  10.932   4.380
  545   2HD1  ILE  33          2HD1      ILE  33   5.016  10.976   3.255
  546   3HD1  ILE  33          3HD1      ILE  33   6.549  11.714   2.768
  547    H    LEU  34           H        LEU  34   1.400  12.429   2.581
  548    HA   LEU  34           HA       LEU  34   0.576  14.284   0.527
  549   2HB   LEU  34          2HB       LEU  34  -1.348  12.412   0.528
  550    HG   LEU  34           HG       LEU  34  -0.010  12.377  -1.369
  551   1HD1  LEU  34          1HD1      LEU  34   2.416  11.791   0.364
  552   2HD1  LEU  34          2HD1      LEU  34   2.396  11.722  -1.416
  553   3HD1  LEU  34          3HD1      LEU  34   2.084  13.252  -0.590
  554   1HD2  LEU  34          1HD2      LEU  34   0.734   9.798   0.058
  555   2HD2  LEU  34          2HD2      LEU  34  -0.831  10.130  -0.706
  556   3HD2  LEU  34          3HD2      LEU  34   0.638  10.078  -1.692
  557    H    LYS  35           H        LYS  35  -0.413  13.884   3.792
  558    HA   LYS  35           HA       LYS  35  -2.987  15.321   3.338
  559   2HB   LYS  35          2HB       LYS  35  -2.245  13.507   5.206
  560   2HG   LYS  35          2HG       LYS  35  -2.426  16.103   6.779
  561   2HD   LYS  35          2HD       LYS  35  -1.330  13.369   7.544
  562   2HE   LYS  35          2HE       LYS  35  -1.848  14.214   9.868
  563   1HZ   LYS  35          1HZ       LYS  35   0.047  15.709   9.994
  564   2HZ   LYS  35          2HZ       LYS  35   0.078  15.896   8.370
  565   3HZ   LYS  35          3HZ       LYS  35   0.403  14.431   9.038
  566    H    GLU  36           H        GLU  36   0.248  16.280   3.620
  567    HA   GLU  36           HA       GLU  36  -0.340  18.917   4.860
  568   2HB   GLU  36          2HB       GLU  36   2.011  19.357   4.615
  569   2HG   GLU  36          2HG       GLU  36   1.820  16.436   5.470
  570    H    LYS  37           H        LYS  37  -0.230  17.461   1.707
  571    HA   LYS  37           HA       LYS  37   0.191  19.955   0.196
  572   2HB   LYS  37          2HB       LYS  37   0.355  18.508  -1.682
  573   2HG   LYS  37          2HG       LYS  37   1.360  16.294  -0.866
  574   2HD   LYS  37          2HD       LYS  37   2.501  19.000  -0.024
  575   2HE   LYS  37          2HE       LYS  37   3.625  16.225   0.396
  576   1HZ   LYS  37          1HZ       LYS  37   5.070  18.822   0.547
  577   2HZ   LYS  37          2HZ       LYS  37   5.352  17.662  -0.569
  578   3HZ   LYS  37          3HZ       LYS  37   5.690  17.385   1.002
  579    HN2  GLY  38           HN2      GLY  38  -2.180  17.408   0.334
  580   1HA   GLY  38          1HA       GLY  38  -4.492  18.677   1.148
  581   2HA   GLY  38          2HA       GLY  38  -4.431  19.140  -0.558
  582    H    PHE  39           H        PHE  39  -3.094  15.975  -0.053
  583    HA   PHE  39           HA       PHE  39  -5.314  14.879  -1.585
  584   2HB   PHE  39          2HB       PHE  39  -3.914  12.892  -1.736
  585    HD1  PHE  39           HD2      PHE  39  -4.232  14.512  -3.833
  586    HD2  PHE  39           HD1      PHE  39  -0.868  14.572  -1.118
  587    HE1  PHE  39           HE2      PHE  39  -2.902  15.660  -5.534
  588    HE2  PHE  39           HE1      PHE  39   0.504  15.693  -2.891
  589    HZ   PHE  39           HZ       PHE  39  -0.518  16.284  -5.073
  590    H    LYS  40           H        LYS  40  -4.366  15.028   1.650
  591    HA   LYS  40           HA       LYS  40  -4.646  13.764   3.581
  592   2HB   LYS  40          2HB       LYS  40  -6.110  15.626   3.736
  593   2HG   LYS  40          2HG       LYS  40  -7.798  14.147   1.810
  594   2HD   LYS  40          2HD       LYS  40  -9.888  15.293   2.635
  595   2HE   LYS  40          2HE       LYS  40  -8.725  13.112   4.427
  596   1HZ   LYS  40          1HZ       LYS  40 -11.056  12.528   4.732
  597   2HZ   LYS  40          2HZ       LYS  40 -11.552  13.819   3.864
  598   3HZ   LYS  40          3HZ       LYS  40 -10.797  14.039   5.298
  599    H    VAL  41           H        VAL  41  -4.296  11.880   1.689
  600    HA   VAL  41           HA       VAL  41  -6.504   9.917   1.898
  601    HB   VAL  41           HB       VAL  41  -5.661   9.933  -0.290
  602   1HG1  VAL  41          1HG1      VAL  41  -2.883   9.631   0.924
  603   2HG1  VAL  41          2HG1      VAL  41  -3.257   9.453  -0.792
  604   3HG1  VAL  41          3HG1      VAL  41  -3.511  11.011  -0.013
  605   1HG2  VAL  41          1HG2      VAL  41  -6.040   7.649   0.679
  606   2HG2  VAL  41          2HG2      VAL  41  -4.804   7.635  -0.594
  607   3HG2  VAL  41          3HG2      VAL  41  -4.316   7.546   1.080
  608    H    ALA  42           H        ALA  42  -6.429   8.043   3.022
  609    HA   ALA  42           HA       ALA  42  -4.740   7.883   5.367
  610   1HB   ALA  42          1HB       ALA  42  -7.185   7.499   5.441
  611   2HB   ALA  42          2HB       ALA  42  -7.005   6.115   4.338
  612   3HB   ALA  42          3HB       ALA  42  -6.305   6.052   5.966
  613    H    ARG  43           H        ARG  43  -3.719   5.898   6.010
  614    HA   ARG  43           HA       ARG  43  -1.817   4.814   4.207
  615   2HB   ARG  43          2HB       ARG  43  -2.794   4.005   6.961
  616   2HG   ARG  43          2HG       ARG  43  -0.400   2.777   6.842
  617   2HD   ARG  43          2HD       ARG  43  -3.170   1.741   6.299
  618    HE   ARG  43           HE       ARG  43  -0.813   0.290   5.436
  619   1HH1  ARG  43          1HH1      ARG  43  -3.812  -0.342   7.092
  620   2HH1  ARG  43          2HH1      ARG  43  -3.879  -1.981   6.491
  621   1HH2  ARG  43          1HH2      ARG  43  -1.010  -1.617   4.614
  622   2HH2  ARG  43          2HH2      ARG  43  -2.402  -2.652   4.931
  623    H    ARG  44           H        ARG  44  -5.071   3.664   4.747
  624    HA   ARG  44           HA       ARG  44  -4.501   0.910   3.928
  625   2HB   ARG  44          2HB       ARG  44  -7.307   1.609   3.506
  626   2HG   ARG  44          2HG       ARG  44  -7.686   0.122   5.415
  627   2HD   ARG  44          2HD       ARG  44  -6.429  -1.911   4.733
  628    HE   ARG  44           HE       ARG  44  -8.393  -0.861   3.249
  629   1HH1  ARG  44          1HH1      ARG  44  -5.470  -2.469   2.248
  630   2HH1  ARG  44          2HH1      ARG  44  -6.139  -2.953   0.715
  631   1HH2  ARG  44          1HH2      ARG  44  -9.142  -1.335   1.190
  632   2HH2  ARG  44          2HH2      ARG  44  -8.147  -2.314   0.147
  633    H    THR  45           H        THR  45  -5.339   3.869   2.285
  634    HA   THR  45           HA       THR  45  -6.171   2.756  -0.214
  635    HB   THR  45           HB       THR  45  -5.376   5.556   0.640
  636    HG1  THR  45           HG1      THR  45  -7.322   5.918   1.469
  637   1HG2  THR  45          1HG2      THR  45  -7.470   4.574  -1.283
  638   2HG2  THR  45          2HG2      THR  45  -6.940   6.264  -1.061
  639   3HG2  THR  45          3HG2      THR  45  -5.846   5.094  -1.782
  640    H    VAL  46           H        VAL  46  -3.516   4.704   1.156
  641    HA   VAL  46           HA       VAL  46  -2.138   4.951  -1.237
  642    HB   VAL  46           HB       VAL  46  -2.036   6.180   1.134
  643   1HG1  VAL  46          1HG1      VAL  46   0.495   4.498   1.210
  644   2HG1  VAL  46          2HG1      VAL  46   0.079   5.867   2.235
  645   3HG1  VAL  46          3HG1      VAL  46  -0.873   4.374   2.323
  646   1HG2  VAL  46          1HG2      VAL  46  -0.116   7.416   0.365
  647   2HG2  VAL  46          2HG2      VAL  46   0.376   6.063  -0.685
  648   3HG2  VAL  46          3HG2      VAL  46  -1.095   7.001  -1.040
  649    H    ALA  47           H        ALA  47  -2.197   2.403   1.085
  650    HA   ALA  47           HA       ALA  47   0.229   1.037   0.518
  651   1HB   ALA  47          1HB       ALA  47  -1.018   0.725   2.620
  652   2HB   ALA  47          2HB       ALA  47  -2.423   0.118   1.708
  653   3HB   ALA  47          3HB       ALA  47  -0.911  -0.813   1.753
  654    H    LYS  48           H        LYS  48  -3.093   0.905  -0.804
  655    HA   LYS  48           HA       LYS  48  -2.654  -1.459  -2.463
  656   2HB   LYS  48          2HB       LYS  48  -4.595  -0.378  -3.781
  657   2HG   LYS  48          2HG       LYS  48  -5.265  -0.488  -0.818
  658   2HD   LYS  48          2HD       LYS  48  -7.495  -1.105  -1.637
  659   2HE   LYS  48          2HE       LYS  48  -6.414   1.311  -3.156
  660   1HZ   LYS  48          1HZ       LYS  48  -8.569   2.079  -3.254
  661   2HZ   LYS  48          2HZ       LYS  48  -8.630   0.573  -3.900
  662   3HZ   LYS  48          3HZ       LYS  48  -9.226   0.834  -2.390
  663    H    TYR  49           H        TYR  49  -2.129   1.971  -2.858
  664    HA   TYR  49           HA       TYR  49  -2.004   1.780  -5.730
  665   2HB   TYR  49          2HB       TYR  49  -0.995   4.190  -5.403
  666    HD1  TYR  49           HD1      TYR  49  -4.098   2.213  -4.577
  667    HD2  TYR  49           HD2      TYR  49  -2.473   5.893  -6.059
  668    HE1  TYR  49           HE1      TYR  49  -6.276   2.731  -5.663
  669    HE2  TYR  49           HE2      TYR  49  -4.654   6.427  -7.159
  670    HH   TYR  49           HH       TYR  49  -7.488   4.856  -6.472
  671    H    ARG  50           H        ARG  50   0.579   1.862  -3.348
  672    HA   ARG  50           HA       ARG  50   2.820   1.929  -5.140
  673   2HB   ARG  50          2HB       ARG  50   3.368   1.924  -2.834
  674   2HG   ARG  50          2HG       ARG  50   1.687  -0.576  -2.688
  675   2HD   ARG  50          2HD       ARG  50   2.793  -0.489  -0.205
  676    HE   ARG  50           HE       ARG  50   4.299  -2.332  -1.851
  677   1HH1  ARG  50          1HH1      ARG  50   0.972  -1.802  -0.894
  678   2HH1  ARG  50          2HH1      ARG  50   0.710  -3.484  -0.559
  679   1HH2  ARG  50          1HH2      ARG  50   3.845  -4.432  -1.642
  680   2HH2  ARG  50          2HH2      ARG  50   2.241  -4.972  -1.125
  681    H    GLU  51           H        GLU  51   0.493  -0.637  -4.805
  682    HA   GLU  51           HA       GLU  51   2.187  -2.723  -5.975
  683   2HB   GLU  51          2HB       GLU  51  -0.845  -2.691  -5.776
  684   2HG   GLU  51          2HG       GLU  51   1.159  -4.985  -5.706
  685    H    MET  52           H        MET  52  -0.096  -0.354  -7.284
  686    HA   MET  52           HA       MET  52  -0.170  -1.726  -9.919
  687   2HB   MET  52          2HB       MET  52  -2.268  -0.900  -9.037
  688   2HG   MET  52          2HG       MET  52  -1.016   1.852  -9.339
  689   1HE   MET  52          1HE       MET  52  -5.452   1.296  -8.119
  690   2HE   MET  52          2HE       MET  52  -4.440  -0.113  -8.490
  691   3HE   MET  52          3HE       MET  52  -4.046   0.930  -7.100
  692    H    LEU  53           H        LEU  53   1.549   0.900  -8.459
  693    HA   LEU  53           HA       LEU  53   2.412   2.097 -10.998
  694   2HB   LEU  53          2HB       LEU  53   3.788   3.485  -9.290
  695    HG   LEU  53           HG       LEU  53   0.802   3.317  -9.677
  696   1HD1  LEU  53          1HD1      LEU  53   1.043   3.689  -7.227
  697   2HD1  LEU  53          2HD1      LEU  53   1.945   5.169  -7.575
  698   3HD1  LEU  53          3HD1      LEU  53   0.239   4.987  -8.073
  699   1HD2  LEU  53          1HD2      LEU  53   2.818   4.576 -10.926
  700   2HD2  LEU  53          2HD2      LEU  53   1.162   5.181 -10.927
  701   3HD2  LEU  53          3HD2      LEU  53   2.349   5.851  -9.778
  702    HN2  GLY  54           HN2      GLY  54   4.270   0.738  -8.267
  703   1HA   GLY  54          1HA       GLY  54   5.370  -1.421  -9.657
  704   2HA   GLY  54          2HA       GLY  54   6.488  -0.093  -9.959
  705    H    ILE  55           H        ILE  55   5.485   0.498  -6.861
  706    HA   ILE  55           HA       ILE  55   8.039  -0.409  -5.819
  707    HB   ILE  55           HB       ILE  55   5.780   1.216  -4.681
  708   2HG1  ILE  55          2HG1      ILE  55   7.675   1.991  -6.399
  709   1HG2  ILE  55          1HG2      ILE  55   8.320   0.299  -3.256
  710   2HG2  ILE  55          2HG2      ILE  55   7.269   1.608  -2.682
  711   3HG2  ILE  55          3HG2      ILE  55   6.645  -0.037  -2.759
  712   1HD1  ILE  55          1HD1      ILE  55   6.099   3.553  -5.342
  713   2HD1  ILE  55          2HD1      ILE  55   7.114   3.597  -3.877
  714   3HD1  ILE  55          3HD1      ILE  55   7.745   4.220  -5.413
  715    HA   PRO  56           HA       PRO  56   6.298  -4.323  -4.461
  716   2HB   PRO  56          2HB       PRO  56   8.299  -5.270  -5.054
  717   2HG   PRO  56          2HG       PRO  56  10.328  -4.090  -4.868
  718   2HD   PRO  56          2HD       PRO  56   9.071  -2.398  -5.881
  719    H    SER  57           H        SER  57   8.527  -3.009  -2.025
  720    HA   SER  57           HA       SER  57   6.261  -2.016  -0.436
  721   2HB   SER  57          2HB       SER  57   6.778  -4.255   0.547
  722    HG   SER  57           HG       SER  57   8.679  -4.532   1.630
  723    H    SER  58           H        SER  58   9.232  -1.619  -1.676
  724    HA   SER  58           HA       SER  58  11.050  -0.360  -1.573
  725   2HB   SER  58          2HB       SER  58   9.580   1.558  -1.644
  726    HG   SER  58           HG       SER  58   8.758   1.019   0.616
  727    H    ARG  59           H        ARG  59   9.880  -1.643   1.379
  728    HA   ARG  59           HA       ARG  59  12.279  -1.153   3.019
  729   2HB   ARG  59          2HB       ARG  59   9.728  -2.784   3.229
  730   2HG   ARG  59          2HG       ARG  59  12.024  -2.969   5.225
  731   2HD   ARG  59          2HD       ARG  59   9.137  -3.930   5.195
  732    HE   ARG  59           HE       ARG  59  11.332  -5.302   6.453
  733   1HH1  ARG  59          1HH1      ARG  59   8.031  -4.305   7.132
  734   2HH1  ARG  59          2HH1      ARG  59   7.781  -5.588   8.276
  735   1HH2  ARG  59          1HH2      ARG  59  10.920  -6.969   7.847
  736   2HH2  ARG  59          2HH2      ARG  59   9.324  -7.159   8.535
  737    H    GLU  60           H        GLU  60  10.897  -3.643   0.963
  738    HA   GLU  60           HA       GLU  60  12.872  -5.597   1.653
  739   2HB   GLU  60          2HB       GLU  60  10.585  -6.172   1.029
  740   2HG   GLU  60          2HG       GLU  60  10.684  -4.582  -1.160
  741    H    ARG  61           H        ARG  61  12.743  -3.176  -0.805
  742    HA   ARG  61           HA       ARG  61  15.037  -3.977  -2.397
  743   2HB   ARG  61          2HB       ARG  61  14.964  -1.659  -3.171
  744   2HG   ARG  61          2HG       ARG  61  12.060  -2.501  -2.782
  745   2HD   ARG  61          2HD       ARG  61  11.761  -1.518  -5.000
  746    HE   ARG  61           HE       ARG  61  12.783   0.188  -2.834
  747   1HH1  ARG  61          1HH1      ARG  61  11.568   0.392  -6.152
  748   2HH1  ARG  61          2HH1      ARG  61  11.262   2.121  -5.911
  749   1HH2  ARG  61          1HH2      ARG  61  12.254   2.383  -2.740
  750   2HH2  ARG  61          2HH2      ARG  61  11.565   3.086  -4.207
  751    H    ARG  62           H        ARG  62  14.580  -1.805   0.438
  752    HA   ARG  62           HA       ARG  62  17.276  -0.844   0.522
  753   2HB   ARG  62          2HB       ARG  62  14.858  -0.800   2.369
  754   2HG   ARG  62          2HG       ARG  62  16.576   1.439   2.794
  755   2HD   ARG  62          2HD       ARG  62  15.900  -0.940   4.528
  756    HE   ARG  62           HE       ARG  62  17.518   1.339   5.146
  757   1HH1  ARG  62          1HH1      ARG  62  14.828  -0.339   6.620
  758   2HH1  ARG  62          2HH1      ARG  62  15.267   0.181   8.230
  759   1HH2  ARG  62          1HH2      ARG  62  18.043   1.940   7.204
  760   2HH2  ARG  62          2HH2      ARG  62  17.045   1.432   8.542
  761    H    ILE  63           H        ILE  63  15.530  -2.996   2.702
  762    HA   ILE  63           HA       ILE  63  17.514  -3.270   4.629
  763    HB   ILE  63           HB       ILE  63  15.043  -3.765   4.801
  764   2HG1  ILE  63          2HG1      ILE  63  16.961  -5.735   6.113
  765   1HG2  ILE  63          1HG2      ILE  63  15.801  -6.588   3.948
  766   2HG2  ILE  63          2HG2      ILE  63  14.199  -5.975   4.393
  767   3HG2  ILE  63          3HG2      ILE  63  14.971  -5.423   2.900
  768   1HD1  ILE  63          1HD1      ILE  63  17.434  -3.401   6.792
  769   2HD1  ILE  63          2HD1      ILE  63  15.699  -3.119   7.083
  770   3HD1  ILE  63          3HD1      ILE  63  16.606  -4.257   8.100
  Start of MODEL   18
    1   1H5*    T  64          1H5*        T  64   8.304  -4.647  20.596
    2   2H5*    T  64          2H5*        T  64   8.042  -2.978  20.083
    3    H4*    T  64           H4*        T  64   9.494  -4.056  18.532
    4    H3*    T  64           H3*        T  64   6.759  -3.568  17.340
    5   1H2*    T  64          1H2*        T  64   7.557  -4.415  15.330
    6   2H2*    T  64          2H2*        T  64   9.274  -4.216  15.810
    7    H1*    T  64           H1*        T  64   9.142  -6.418  16.321
    8    H3     T  64           H3         T  64   5.964  -8.850  14.334
    9   1H5M    T  64          1H5M        T  64   2.764  -7.408  17.491
   10   2H5M    T  64          2H5M        T  64   3.807  -7.960  18.822
   11   3H5M    T  64          3H5M        T  64   3.657  -6.224  18.462
   12    H6     T  64           H6         T  64   6.014  -5.826  18.079
   13    H5T    T  64           H5T        T  64   6.085  -3.986  20.776
   14   1H5*    T  65          1H5*        T  65   9.737  -2.335  14.664
   15   2H5*    T  65          2H5*        T  65   9.447  -0.804  13.826
   16    H4*    T  65           H4*        T  65   9.747  -2.777  12.264
   17    H3*    T  65           H3*        T  65   7.312  -1.069  12.303
   18   1H2*    T  65          1H2*        T  65   5.953  -2.516  11.299
   19   2H2*    T  65          2H2*        T  65   7.201  -3.008  10.114
   20    H1*    T  65           H1*        T  65   7.840  -4.781  11.291
   21    H3     T  65           H3         T  65   4.061  -7.231  11.721
   22   1H5M    T  65          1H5M        T  65   3.147  -3.489  15.152
   23   2H5M    T  65          2H5M        T  65   3.016  -5.136  15.795
   24   3H5M    T  65          3H5M        T  65   4.477  -4.184  16.104
   25    H6     T  65           H6         T  65   5.831  -3.435  14.119
   26   1H5*    T  66          1H5*        T  66   8.291  -2.132   8.053
   27   2H5*    T  66          2H5*        T  66   8.000  -0.746   6.978
   28    H4*    T  66           H4*        T  66   6.848  -2.769   6.204
   29    H3*    T  66           H3*        T  66   5.369  -0.296   6.843
   30   1H2*    T  66          1H2*        T  66   3.670  -1.375   7.836
   31   2H2*    T  66          2H2*        T  66   3.264  -2.122   6.286
   32    H1*    T  66           H1*        T  66   4.579  -4.049   6.680
   33    H3     T  66           H3         T  66   1.584  -6.300   9.341
   34   1H5M    T  66          1H5M        T  66   3.541  -2.456  12.425
   35   2H5M    T  66          2H5M        T  66   2.084  -1.696  11.738
   36   3H5M    T  66          3H5M        T  66   1.941  -3.134  12.768
   37    H6     T  66           H6         T  66   4.066  -2.201   9.899
   38   1H5*    T  67          1H5*        T  67   4.690  -3.562   3.994
   39   2H5*    T  67          2H5*        T  67   4.268  -3.125   2.330
   40    H4*    T  67           H4*        T  67   3.263  -5.295   3.010
   41    H3*    T  67           H3*        T  67   1.922  -3.205   1.739
   42   1H2*    T  67          1H2*        T  67   0.706  -2.591   3.699
   43   2H2*    T  67          2H2*        T  67  -0.448  -3.768   3.016
   44    H1*    T  67           H1*        T  67   0.599  -5.599   4.234
   45    H3     T  67           H3         T  67  -1.649  -5.513   8.179
   46   1H5M    T  67          1H5M        T  67   0.555  -0.617   7.518
   47   2H5M    T  67          2H5M        T  67  -0.359  -1.039   8.977
   48   3H5M    T  67          3H5M        T  67   1.353  -1.494   8.843
   49    H6     T  67           H6         T  67   1.163  -2.312   5.920
   50   1H5*    G  68          1H5*        G  68   0.249  -7.831   1.409
   51   2H5*    G  68          2H5*        G  68  -0.391  -7.963  -0.227
   52    H4*    G  68           H4*        G  68  -1.427  -9.556   1.305
   53    H3*    G  68           H3*        G  68  -2.914  -8.124  -0.495
   54    H1*    G  68           H1*        G  68  -4.046  -8.479   3.172
   55    H8     G  68           H8         G  68  -2.132  -5.140   2.605
   56    H1     G  68           H1         G  68  -5.686  -5.448   7.977
   57   1H2     G  68          1H2         G  68  -7.104  -7.220   7.743
   58   2H2     G  68          2H2         G  68  -6.780  -8.414   6.495
   59   1H2*    G  68          1H2*        G  68  -3.545  -6.406   1.004
   60   2H2*    G  68          2H2*        G  68  -4.946  -7.496   1.214
   61   1H5*    G  69          1H5*        G  69  -5.484 -11.102   2.461
   62   2H5*    G  69          2H5*        G  69  -6.320 -12.109   1.279
   63    H4*    G  69           H4*        G  69  -7.602 -11.998   3.310
   64    H3*    G  69           H3*        G  69  -8.761 -11.566   0.842
   65    H1*    G  69           H1*        G  69  -9.598  -9.383   3.892
   66    H8     G  69           H8         G  69  -7.322  -7.522   1.348
   67    H1     G  69           H1         G  69  -9.165  -4.032   6.450
   68   1H2     G  69          1H2         G  69 -10.646  -5.230   7.636
   69   2H2     G  69          2H2         G  69 -11.023  -6.874   7.144
   70   1H2*    G  69          1H2*        G  69  -8.756  -9.216   0.969
   71   2H2*    G  69          2H2*        G  69 -10.371  -9.528   1.650
   72   1H5*    C  70          1H5*        C  70 -11.706 -11.214   4.602
   73   2H5*    C  70          2H5*        C  70 -13.207 -12.068   4.228
   74    H4*    C  70           H4*        C  70 -13.675 -10.122   5.571
   75    H3*    C  70           H3*        C  70 -14.954 -10.530   3.050
   76    H1*    C  70           H1*        C  70 -14.083  -7.346   4.848
   77   1H4     C  70          1H4         C  70 -10.416  -2.780   2.615
   78   2H4     C  70          2H4         C  70  -9.667  -3.817   1.391
   79    H5     C  70           H5         C  70 -10.329  -6.086   1.080
   80    H6     C  70           H6         C  70 -11.815  -7.882   1.914
   81   1H2*    C  70          1H2*        C  70 -14.011  -8.623   2.077
   82   2H2*    C  70          2H2*        C  70 -15.390  -7.816   2.878
   83   1H5*    A  71          1H5*        A  71 -17.072  -7.698   6.408
   84   2H5*    A  71          2H5*        A  71 -18.831  -7.749   6.222
   85    H4*    A  71           H4*        A  71 -17.994  -5.483   6.785
   86    H3*    A  71           H3*        A  71 -19.353  -5.898   4.132
   87    H1*    A  71           H1*        A  71 -16.624  -3.318   5.307
   88    H8     A  71           H8         A  71 -16.496  -5.910   2.448
   89   1H6     A  71          1H6         A  71 -12.722  -1.533  -0.088
   90   2H6     A  71          2H6         A  71 -13.253  -3.202  -0.361
   91    H2     A  71           H2         A  71 -14.543   0.156   3.359
   92   1H2*    A  71          1H2*        A  71 -18.705  -3.849   3.335
   93   2H2*    A  71          2H2*        A  71 -18.793  -3.085   4.944
   94   1H5*    C  72          1H5*        C  72 -20.420  -2.366   6.950
   95   2H5*    C  72          2H5*        C  72 -22.100  -1.820   6.824
   96    H4*    C  72           H4*        C  72 -20.490   0.073   6.837
   97    H3*    C  72           H3*        C  72 -22.145  -0.402   4.382
   98    H1*    C  72           H1*        C  72 -18.751   1.328   5.066
   99   1H4     C  72          1H4         C  72 -15.545   0.318  -0.393
  100   2H4     C  72          2H4         C  72 -16.499  -1.062  -0.670
  101    H5     C  72           H5         C  72 -18.196  -1.936   0.742
  102    H6     C  72           H6         C  72 -19.463  -1.527   2.812
  103   1H2*    C  72          1H2*        C  72 -20.906   0.893   3.086
  104   2H2*    C  72          2H2*        C  72 -20.681   2.147   4.349
  105   1H5*    G  73          1H5*        G  73 -21.951   3.912   6.099
  106   2H5*    G  73          2H5*        G  73 -23.365   4.906   5.698
  107    H4*    G  73           H4*        G  73 -21.292   6.152   5.379
  108    H3*    G  73           H3*        G  73 -22.701   5.486   2.788
  109    H1*    G  73           H1*        G  73 -18.852   5.652   3.144
  110    H8     G  73           H8         G  73 -21.707   3.191   2.503
  111    H1     G  73           H1         G  73 -16.827   3.062  -1.724
  112   1H2     G  73          1H2         G  73 -16.025   5.170  -1.850
  113   2H2     G  73          2H2         G  73 -16.341   6.275  -0.513
  114   1H2*    G  73          1H2*        G  73 -20.910   6.632   1.663
  115   2H2*    G  73          2H2*        G  73 -20.348   7.387   3.182
  116   1H5*    T  74          1H5*        T  74 -21.075   9.404   2.624
  117   2H5*    T  74          2H5*        T  74 -22.108  10.649   1.903
  118    H4*    T  74           H4*        T  74 -19.824  10.516   0.830
  119    H3*    T  74           H3*        T  74 -22.197   9.775  -0.894
  120   1H2*    T  74          1H2*        T  74 -20.642   9.445  -2.672
  121   2H2*    T  74          2H2*        T  74 -19.377  10.385  -1.833
  122    H1*    T  74           H1*        T  74 -18.601   8.474  -1.071
  123    H3     T  74           H3         T  74 -19.535   4.850  -3.753
  124   1H5M    T  74          1H5M        T  74 -22.931   3.812  -0.591
  125   2H5M    T  74          2H5M        T  74 -23.182   5.354   0.246
  126   3H5M    T  74          3H5M        T  74 -23.901   5.089  -1.360
  127    H6     T  74           H6         T  74 -21.784   7.267  -0.252
  128   1H5*    T  75          1H5*        T  75 -19.317  12.225  -2.885
  129   2H5*    T  75          2H5*        T  75 -20.003  13.593  -3.746
  130    H4*    T  75           H4*        T  75 -18.439  12.309  -5.142
  131    H3*    T  75           H3*        T  75 -21.102  13.073  -5.821
  132   1H2*    T  75          1H2*        T  75 -21.980  11.150  -6.330
  133   2H2*    T  75          2H2*        T  75 -20.998  11.149  -7.806
  134    H1*    T  75           H1*        T  75 -19.431   9.774  -6.963
  135    H3     T  75           H3         T  75 -21.233   5.629  -6.470
  136   1H5M    T  75          1H5M        T  75 -24.245   9.067  -3.663
  137   2H5M    T  75          2H5M        T  75 -24.445   7.317  -3.483
  138   3H5M    T  75          3H5M        T  75 -23.262   8.182  -2.482
  139    H6     T  75           H6         T  75 -21.958   9.974  -4.525
  140   1H5*    T  76          1H5*        T  76 -18.061  11.758  -9.117
  141   2H5*    T  76          2H5*        T  76 -18.086  12.782 -10.560
  142    H4*    T  76           H4*        T  76 -17.861  10.410 -11.179
  143    H3*    T  76           H3*        T  76 -20.237  11.977 -12.010
  144   1H2*    T  76          1H2*        T  76 -21.684  10.268 -12.021
  145   2H2*    T  76          2H2*        T  76 -20.591   9.294 -13.035
  146    H1*    T  76           H1*        T  76 -19.695   8.148 -11.366
  147    H3     T  76           H3         T  76 -22.908   5.751  -9.172
  148   1H5M    T  76          1H5M        T  76 -23.603  11.032  -8.091
  149   2H5M    T  76          2H5M        T  76 -25.038   9.972  -8.104
  150   3H5M    T  76          3H5M        T  76 -23.820   9.831  -6.810
  151    H6     T  76           H6         T  76 -22.018  10.464  -9.642
  152   1H5*    C  77          1H5*        C  77 -18.579   8.787 -14.946
  153   2H5*    C  77          2H5*        C  77 -18.882   9.184 -16.640
  154    H4*    C  77           H4*        C  77 -19.610   6.931 -16.297
  155    H3*    C  77           H3*        C  77 -22.049   8.723 -16.299
  156    H1*    C  77           H1*        C  77 -21.400   5.252 -14.681
  157   1H4     C  77          1H4         C  77 -26.106   6.741 -10.724
  158   2H4     C  77          2H4         C  77 -25.886   8.482 -10.951
  159    H5     C  77           H5         C  77 -24.186   9.369 -12.448
  160    H6     C  77           H6         C  77 -22.388   8.685 -14.076
  161    H3T    C  77           H3T        C  77 -20.882   8.678 -18.294
  162   1H2*    C  77          1H2*        C  77 -23.309   6.743 -16.188
  163   2H2*    C  77          2H2*        C  77 -21.972   5.741 -16.829
  164   1H5*    G  78          1H5*        G  78 -33.234  -0.997 -10.226
  165   2H5*    G  78          2H5*        G  78 -32.639  -2.379  -9.289
  166    H4*    G  78           H4*        G  78 -31.444  -2.348 -11.350
  167    H3*    G  78           H3*        G  78 -29.792  -1.389  -9.009
  168    H1*    G  78           H1*        G  78 -29.409  -0.057 -12.687
  169    H8     G  78           H8         G  78 -30.672   1.288  -9.410
  170    H1     G  78           H1         G  78 -25.644   4.526 -11.843
  171   1H2     G  78          1H2         G  78 -24.664   3.224 -13.354
  172   2H2     G  78          2H2         G  78 -25.441   1.723 -13.867
  173   1H2*    G  78          1H2*        G  78 -28.043  -0.824 -10.389
  174   2H2*    G  78          2H2*        G  78 -28.565  -1.929 -11.708
  175    H5T    G  78           H5T        G  78 -32.899  -0.486  -7.995
  176   1H5*    A  79          1H5*        A  79 -27.266  -3.734 -11.479
  177   2H5*    A  79          2H5*        A  79 -26.241  -4.866 -10.587
  178    H4*    A  79           H4*        A  79 -24.925  -3.271 -12.015
  179    H3*    A  79           H3*        A  79 -24.547  -3.347  -9.050
  180    H1*    A  79           H1*        A  79 -24.082  -0.349 -11.597
  181    H8     A  79           H8         A  79 -26.549  -0.719  -8.704
  182   1H6     A  79          1H6         A  79 -24.934   5.262  -7.575
  183   2H6     A  79          2H6         A  79 -26.093   4.025  -7.067
  184    H2     A  79           H2         A  79 -22.188   3.728 -10.456
  185   1H2*    A  79          1H2*        A  79 -23.258  -1.457  -9.061
  186   2H2*    A  79          2H2*        A  79 -22.632  -1.770 -10.706
  187   1H5*    A  80          1H5*        A  80 -21.233  -3.255 -12.129
  188   2H5*    A  80          2H5*        A  80 -19.756  -4.164 -11.768
  189    H4*    A  80           H4*        A  80 -19.272  -1.798 -12.567
  190    H3*    A  80           H3*        A  80 -18.472  -2.553  -9.727
  191    H1*    A  80           H1*        A  80 -19.461   0.906 -11.148
  192    H8     A  80           H8         A  80 -20.900  -1.544  -8.576
  193   1H6     A  80          1H6         A  80 -22.572   3.736  -5.581
  194   2H6     A  80          2H6         A  80 -22.786   1.986  -5.532
  195    H2     A  80           H2         A  80 -19.920   4.824  -8.767
  196   1H2*    A  80          1H2*        A  80 -17.771  -0.395  -9.439
  197   2H2*    A  80          2H2*        A  80 -17.543  -0.095 -11.178
  198   1H5*    A  81          1H5*        A  81 -15.389  -0.338 -11.909
  199   2H5*    A  81          2H5*        A  81 -13.734  -0.838 -11.520
  200    H4*    A  81           H4*        A  81 -14.130   1.616 -11.069
  201    H3*    A  81           H3*        A  81 -13.332  -0.301  -8.927
  202    H1*    A  81           H1*        A  81 -15.398   3.041  -8.779
  203    H8     A  81           H8         A  81 -16.517  -0.537  -7.853
  204   1H6     A  81          1H6         A  81 -20.263   2.423  -3.779
  205   2H6     A  81          2H6         A  81 -19.739   0.814  -4.279
  206    H2     A  81           H2         A  81 -18.081   5.419  -5.989
  207   1H2*    A  81          1H2*        A  81 -14.111   0.909  -7.226
  208   2H2*    A  81          2H2*        A  81 -13.504   2.439  -7.913
  209   1H5*    C  82          1H5*        C  82 -11.723   3.998  -9.227
  210   2H5*    C  82          2H5*        C  82 -10.102   4.284  -8.580
  211    H4*    C  82           H4*        C  82 -11.640   6.025  -7.837
  212    H3*    C  82           H3*        C  82 -10.764   4.127  -5.649
  213    H1*    C  82           H1*        C  82 -14.084   6.028  -5.765
  214   1H4     C  82          1H4         C  82 -17.225   1.744  -2.713
  215   2H4     C  82          2H4         C  82 -16.114   0.524  -3.234
  216    H5     C  82           H5         C  82 -14.296   0.919  -4.785
  217    H6     C  82           H6         C  82 -12.924   2.631  -5.816
  218   1H2*    C  82          1H2*        C  82 -11.971   5.489  -4.098
  219   2H2*    C  82          2H2*        C  82 -12.047   6.850  -5.246
  220   1H5*    G  83          1H5*        G  83  -9.998   8.236  -3.903
  221   2H5*    G  83          2H5*        G  83  -8.403   8.127  -3.149
  222    H4*    G  83           H4*        G  83 -10.036   8.985  -1.596
  223    H3*    G  83           H3*        G  83  -8.220   7.331  -0.795
  224    H1*    G  83           H1*        G  83 -11.860   6.450   0.082
  225    H8     G  83           H8         G  83 -10.319   4.263  -2.725
  226    H1     G  83           H1         G  83 -15.291   1.618   0.437
  227   1H2     G  83          1H2         G  83 -15.834   2.995   2.145
  228   2H2     G  83          2H2         G  83 -15.051   4.565   2.276
  229   1H2*    G  83          1H2*        G  83  -9.347   5.332  -1.177
  230   2H2*    G  83          2H2*        G  83  -9.769   5.521   0.532
  231   1H5*    T  84          1H5*        T  84 -11.629   7.399   3.078
  232   2H5*    T  84          2H5*        T  84 -10.415   7.940   4.256
  233    H4*    T  84           H4*        T  84 -11.825   6.236   5.281
  234    H3*    T  84           H3*        T  84  -9.019   6.167   5.303
  235   1H2*    T  84          1H2*        T  84  -8.798   4.529   3.647
  236   2H2*    T  84          2H2*        T  84  -8.858   3.472   5.080
  237    H1*    T  84           H1*        T  84 -11.206   3.179   4.908
  238    H3     T  84           H3         T  84 -12.583   0.222   1.822
  239   1H5M    T  84          1H5M        T  84  -8.912   3.053  -0.688
  240   2H5M    T  84          2H5M        T  84  -7.982   1.693  -0.021
  241   3H5M    T  84          3H5M        T  84  -9.288   1.417  -1.190
  242    H6     T  84           H6         T  84  -9.175   3.616   1.768
  243   1H5*    G  85          1H5*        G  85 -12.307   5.371   9.128
  244   2H5*    G  85          2H5*        G  85 -11.574   5.534  10.727
  245    H4*    G  85           H4*        G  85 -12.722   3.410  10.623
  246    H3*    G  85           H3*        G  85  -9.719   3.234  10.567
  247    H1*    G  85           H1*        G  85 -12.556   0.902   9.178
  248    H8     G  85           H8         G  85  -9.555   2.500   7.327
  249    H1     G  85           H1         G  85 -11.957  -2.865   4.646
  250   1H2     G  85          1H2         G  85 -13.495  -3.714   6.047
  251   2H2     G  85          2H2         G  85 -13.881  -2.883   7.559
  252   1H2*    G  85          1H2*        G  85  -9.689   1.127   9.830
  253   2H2*    G  85          2H2*        G  85 -11.075   0.624  10.841
  254   1H5*    C  86          1H5*        C  86 -12.036   0.363  13.417
  255   2H5*    C  86          2H5*        C  86 -11.118   0.037  14.895
  256    H4*    C  86           H4*        C  86 -12.074  -2.023  13.932
  257    H3*    C  86           H3*        C  86  -9.187  -1.693  14.355
  258    H1*    C  86           H1*        C  86 -11.108  -3.759  11.582
  259   1H4     C  86          1H4         C  86  -8.259  -2.432   6.053
  260   2H4     C  86          2H4         C  86  -7.434  -1.093   6.778
  261    H5     C  86           H5         C  86  -7.701  -0.352   9.014
  262    H6     C  86           H6         C  86  -8.759  -0.887  11.171
  263   1H2*    C  86          1H2*        C  86  -8.455  -2.789  12.539
  264   2H2*    C  86          2H2*        C  86  -9.408  -4.220  12.978
  265   1H5*    C  87          1H5*        C  87 -11.179  -5.950  14.965
  266   2H5*    C  87          2H5*        C  87 -10.271  -7.014  16.045
  267    H4*    C  87           H4*        C  87 -10.948  -8.160  13.974
  268    H3*    C  87           H3*        C  87  -7.973  -7.728  14.319
  269    H1*    C  87           H1*        C  87 -10.004  -7.942  10.992
  270   1H4     C  87          1H4         C  87  -6.423  -3.661   8.210
  271   2H4     C  87          2H4         C  87  -5.756  -3.139   9.741
  272    H5     C  87           H5         C  87  -6.107  -4.215  11.723
  273    H6     C  87           H6         C  87  -7.480  -5.924  12.922
  274   1H2*    C  87          1H2*        C  87  -7.634  -8.812  12.223
  275   2H2*    C  87          2H2*        C  87  -9.240  -9.584  12.280
  276   1H5*    A  88          1H5*        A  88  -8.779 -11.597  12.869
  277   2H5*    A  88          2H5*        A  88  -7.907 -12.920  13.633
  278    H4*    A  88           H4*        A  88  -7.763 -12.822  11.129
  279    H3*    A  88           H3*        A  88  -5.776 -13.582  12.902
  280    H1*    A  88           H1*        A  88  -5.054 -11.233   9.866
  281    H8     A  88           H8         A  88  -5.386  -9.383  13.290
  282   1H6     A  88          1H6         A  88  -2.576  -4.682  10.265
  283   2H6     A  88          2H6         A  88  -3.327  -5.136  11.796
  284    H2     A  88           H2         A  88  -2.849  -7.992   7.508
  285   1H2*    A  88          1H2*        A  88  -4.526 -11.622  12.825
  286   2H2*    A  88          2H2*        A  88  -3.771 -12.434  11.429
  287   1H5*    A  89          1H5*        A  89  -4.858 -13.820   8.283
  288   2H5*    A  89          2H5*        A  89  -4.349 -15.478   7.948
  289    H4*    A  89           H4*        A  89  -3.274 -13.967   6.403
  290    H3*    A  89           H3*        A  89  -1.864 -15.832   7.917
  291    H1*    A  89           H1*        A  89  -0.618 -12.283   7.197
  292    H8     A  89           H8         A  89  -1.547 -12.794  10.950
  293   1H6     A  89          1H6         A  89   0.089  -6.761  11.413
  294   2H6     A  89          2H6         A  89  -0.520  -8.128  12.351
  295    H2     A  89           H2         A  89   0.503  -7.921   7.270
  296   1H2*    A  89          1H2*        A  89  -0.913 -14.334   9.418
  297   2H2*    A  89          2H2*        A  89   0.341 -14.216   8.150
  298   1H5*    A  90          1H5*        A  90   1.080 -13.658   4.860
  299   2H5*    A  90          2H5*        A  90   2.079 -14.914   4.115
  300    H4*    A  90           H4*        A  90   3.498 -13.066   4.701
  301    H3*    A  90           H3*        A  90   3.890 -15.663   5.981
  302    H1*    A  90           H1*        A  90   4.684 -12.062   7.083
  303    H8     A  90           H8         A  90   2.301 -14.022   9.475
  304   1H6     A  90          1H6         A  90   2.405  -8.649  12.739
  305   2H6     A  90          2H6         A  90   1.695 -10.264  12.728
  306    H2     A  90           H2         A  90   5.024  -8.172   9.363
  307   1H2*    A  90          1H2*        A  90   3.967 -14.840   8.097
  308   2H2*    A  90          2H2*        A  90   5.570 -14.185   7.669
  309   1H5*    A  91          1H5*        A  91   7.682 -12.875   4.888
  310   2H5*    A  91          2H5*        A  91   9.154 -13.854   4.799
  311    H4*    A  91           H4*        A  91   9.628 -11.818   6.020
  312    H3*    A  91           H3*        A  91   9.429 -14.247   7.844
  313    H1*    A  91           H1*        A  91   8.835 -10.482   8.533
  314    H8     A  91           H8         A  91   7.211 -13.892   9.284
  315   1H6     A  91          1H6         A  91   4.667 -10.689  14.084
  316   2H6     A  91          2H6         A  91   4.718 -12.302  13.372
  317    H2     A  91           H2         A  91   7.241  -8.009  11.908
  318    H3T    A  91           H3T        A  91  11.738 -14.033   7.744
  319   1H2*    A  91          1H2*        A  91   9.978 -12.865   9.650
  320   2H2*    A  91          2H2*        A  91  10.766 -11.644   8.607
  321   1H    HIS   1          1H        HIS   1 -16.064   9.143  -3.467
  322   2H    HIS   1          2H        HIS   1 -14.776   8.381  -2.791
  323   3H    HIS   1          3H        HIS   1 -15.515   7.720  -4.089
  324    HA   HIS   1           HA       HIS   1 -13.461   8.725  -4.782
  325   2HB   HIS   1          2HB       HIS   1 -14.363  10.451  -6.406
  326    HD1  HIS   1           HD1      HIS   1 -13.350   8.345  -7.829
  327    HD2  HIS   1           HD2      HIS   1 -17.338   8.084  -6.458
  328    HE1  HIS   1           HE1      HIS   1 -14.426   6.443  -9.125
  329    H    MET   2           H        MET   2 -12.000  10.341  -4.725
  330    HA   MET   2           HA       MET   2 -12.639  12.901  -3.348
  331   2HB   MET   2          2HB       MET   2 -10.579  12.827  -2.024
  332   2HG   MET   2          2HG       MET   2 -12.194  10.327  -1.441
  333   1HE   MET   2          1HE       MET   2 -13.040  10.682   1.419
  334   2HE   MET   2          2HE       MET   2 -12.178   9.234   0.844
  335   3HE   MET   2          3HE       MET   2 -11.654  10.045   2.333
  336    H    LEU   3           H        LEU   3 -10.022  11.080  -5.072
  337    HA   LEU   3           HA       LEU   3  -8.994  13.608  -6.188
  338   2HB   LEU   3          2HB       LEU   3  -6.952  12.114  -6.520
  339    HG   LEU   3           HG       LEU   3  -7.876  12.118  -3.627
  340   1HD1  LEU   3          1HD1      LEU   3  -5.633  11.917  -3.066
  341   2HD1  LEU   3          2HD1      LEU   3  -5.702  10.933  -4.541
  342   3HD1  LEU   3          3HD1      LEU   3  -5.057  12.554  -4.654
  343   1HD2  LEU   3          1HD2      LEU   3  -6.610  14.331  -3.557
  344   2HD2  LEU   3          2HD2      LEU   3  -6.670  14.319  -5.341
  345   3HD2  LEU   3          3HD2      LEU   3  -8.160  14.394  -4.375
  346    H    THR   4           H        THR   4  -7.655  13.149  -8.161
  347    HA   THR   4           HA       THR   4  -9.521  12.697 -10.381
  348    HB   THR   4           HB       THR   4  -7.739  13.492 -11.826
  349    HG1  THR   4           HG1      THR   4  -5.786  14.159 -10.750
  350   1HG2  THR   4          1HG2      THR   4  -7.868  15.195  -9.312
  351   2HG2  THR   4          2HG2      THR   4  -7.398  15.723 -10.942
  352   3HG2  THR   4          3HG2      THR   4  -9.058  15.186 -10.630
  353    H    GLN   5           H        GLN   5  -8.036  11.700 -12.414
  354    HA   GLN   5           HA       GLN   5  -8.164   8.922 -12.296
  355   2HB   GLN   5          2HB       GLN   5  -8.027  10.273 -14.322
  356   2HG   GLN   5          2HG       GLN   5  -5.031  10.490 -13.784
  357   1HE2  GLN   5          1HE2      GLN   5  -7.327  12.338 -15.895
  358   2HE2  GLN   5          2HE2      GLN   5  -6.446  11.938 -17.365
  359    HN2  GLY   6           HN2      GLY   6  -5.516  10.935 -11.045
  360   1HA   GLY   6          1HA       GLY   6  -4.595   8.749  -9.458
  361   2HA   GLY   6          2HA       GLY   6  -3.505   8.992 -10.830
  362    H    GLU   7           H        GLU   7  -5.193  11.488  -8.662
  363    HA   GLU   7           HA       GLU   7  -2.887  13.122  -8.682
  364   2HB   GLU   7          2HB       GLU   7  -4.578  13.714  -6.439
  365   2HG   GLU   7          2HG       GLU   7  -4.378  14.927  -9.218
  366    H    LEU   8           H        LEU   8  -3.568  10.356  -6.844
  367    HA   LEU   8           HA       LEU   8  -1.218  10.963  -5.073
  368   2HB   LEU   8          2HB       LEU   8  -3.401  10.531  -3.952
  369    HG   LEU   8           HG       LEU   8  -3.685   8.321  -5.597
  370   1HD1  LEU   8          1HD1      LEU   8  -2.764   7.392  -2.821
  371   2HD1  LEU   8          2HD1      LEU   8  -3.400   6.330  -4.071
  372   3HD1  LEU   8          3HD1      LEU   8  -1.841   7.143  -4.320
  373   1HD2  LEU   8          1HD2      LEU   8  -5.282   7.480  -3.595
  374   2HD2  LEU   8          2HD2      LEU   8  -4.993   9.149  -3.063
  375   3HD2  LEU   8          3HD2      LEU   8  -5.672   8.809  -4.675
  376    H    MET   9           H        MET   9  -2.111   9.182  -7.824
  377    HA   MET   9           HA       MET   9  -0.441   6.791  -7.396
  378   2HB   MET   9          2HB       MET   9  -2.377   7.726  -9.442
  379   2HG   MET   9          2HG       MET   9   0.119   6.311 -10.254
  380   1HE   MET   9          1HE       MET   9  -3.805   6.301 -10.960
  381   2HE   MET   9          2HE       MET   9  -3.092   7.092 -12.386
  382   3HE   MET   9          3HE       MET   9  -3.840   5.484 -12.532
  383    H    LYS  10           H        LYS  10  -0.331   9.532  -9.625
  384    HA   LYS  10           HA       LYS  10   2.358   8.763 -10.507
  385   2HB   LYS  10          2HB       LYS  10   0.649   9.539 -12.052
  386   2HG   LYS  10          2HG       LYS  10   0.908  12.408 -11.250
  387   2HD   LYS  10          2HD       LYS  10  -1.609  10.899 -12.071
  388   2HE   LYS  10          2HE       LYS  10  -0.705  13.805 -12.202
  389   1HZ   LYS  10          1HZ       LYS  10  -2.183  13.220 -14.040
  390   2HZ   LYS  10          2HZ       LYS  10  -3.291  12.596 -13.013
  391   3HZ   LYS  10          3HZ       LYS  10  -2.959  14.199 -12.990
  392    H    LEU  11           H        LEU  11   1.939   9.699  -7.730
  393    HA   LEU  11           HA       LEU  11   3.920  11.911  -7.417
  394   2HB   LEU  11          2HB       LEU  11   2.588  12.485  -5.340
  395    HG   LEU  11           HG       LEU  11   0.765  13.715  -6.251
  396   1HD1  LEU  11          1HD1      LEU  11   3.078  13.765  -8.222
  397   2HD1  LEU  11          2HD1      LEU  11   1.929  15.081  -7.902
  398   3HD1  LEU  11          3HD1      LEU  11   3.065  14.569  -6.634
  399   1HD2  LEU  11          1HD2      LEU  11   0.106  11.793  -7.898
  400   2HD2  LEU  11          2HD2      LEU  11  -0.155  13.479  -8.412
  401   3HD2  LEU  11          3HD2      LEU  11   1.254  12.583  -8.989
  402    H    ILE  12           H        ILE  12   2.410   8.961  -5.953
  403    HA   ILE  12           HA       ILE  12   4.081   8.949  -3.636
  404    HB   ILE  12           HB       ILE  12   3.626   6.473  -3.598
  405   2HG1  ILE  12          2HG1      ILE  12   2.983   6.626  -6.288
  406   1HG2  ILE  12          1HG2      ILE  12   1.118   6.858  -3.191
  407   2HG2  ILE  12          2HG2      ILE  12   2.273   7.830  -2.241
  408   3HG2  ILE  12          3HG2      ILE  12   1.429   8.543  -3.621
  409   1HD1  ILE  12          1HD1      ILE  12   1.843   4.725  -4.178
  410   2HD1  ILE  12          2HD1      ILE  12   1.849   4.402  -5.907
  411   3HD1  ILE  12          3HD1      ILE  12   3.391   4.531  -5.046
  412    H    LYS  13           H        LYS  13   4.658   7.751  -6.886
  413    HA   LYS  13           HA       LYS  13   7.233   6.469  -6.048
  414   2HB   LYS  13          2HB       LYS  13   5.941   5.261  -7.594
  415   2HG   LYS  13          2HG       LYS  13   4.842   7.321  -8.789
  416   2HD   LYS  13          2HD       LYS  13   7.164   6.705 -10.682
  417   2HE   LYS  13          2HE       LYS  13   4.737   8.547 -10.888
  418   1HZ   LYS  13          1HZ       LYS  13   6.995   8.115 -12.763
  419   2HZ   LYS  13          2HZ       LYS  13   5.598   8.842 -13.183
  420   3HZ   LYS  13          3HZ       LYS  13   6.558   9.543 -12.070
  421    H    GLU  14           H        GLU  14   6.296   9.526  -6.969
  422    HA   GLU  14           HA       GLU  14   8.877  10.243  -8.279
  423   2HB   GLU  14          2HB       GLU  14   6.306  11.851  -8.408
  424   2HG   GLU  14          2HG       GLU  14   8.818  11.570 -10.110
  425    H    ILE  15           H        ILE  15   7.132  10.710  -5.354
  426    HA   ILE  15           HA       ILE  15   9.001  12.874  -4.528
  427    HB   ILE  15           HB       ILE  15   7.770  13.080  -2.517
  428   2HG1  ILE  15          2HG1      ILE  15   6.489  10.514  -3.287
  429   1HG2  ILE  15          1HG2      ILE  15   7.035  14.368  -4.472
  430   2HG2  ILE  15          2HG2      ILE  15   5.834  13.119  -4.859
  431   3HG2  ILE  15          3HG2      ILE  15   5.704  14.038  -3.348
  432   1HD1  ILE  15          1HD1      ILE  15   6.641  12.033  -0.649
  433   2HD1  ILE  15          2HD1      ILE  15   6.181  10.329  -0.875
  434   3HD1  ILE  15          3HD1      ILE  15   7.844  10.858  -1.227
  435    H    VAL  16           H        VAL  16   7.971   9.456  -3.702
  436    HA   VAL  16           HA       VAL  16   9.925   9.252  -1.675
  437    HB   VAL  16           HB       VAL  16   8.642   7.044  -3.347
  438   1HG1  VAL  16          1HG1      VAL  16  10.631   6.089  -2.423
  439   2HG1  VAL  16          2HG1      VAL  16  10.397   6.929  -0.877
  440   3HG1  VAL  16          3HG1      VAL  16   9.310   5.595  -1.361
  441   1HG2  VAL  16          1HG2      VAL  16   8.072   8.020  -0.504
  442   2HG2  VAL  16          2HG2      VAL  16   7.070   8.372  -1.910
  443   3HG2  VAL  16          3HG2      VAL  16   7.249   6.703  -1.371
  444    H    GLU  17           H        GLU  17  10.212   8.683  -5.188
  445    HA   GLU  17           HA       GLU  17  12.975   7.611  -4.766
  446   2HB   GLU  17          2HB       GLU  17  13.085   7.298  -7.184
  447   2HG   GLU  17          2HG       GLU  17  10.510   6.072  -6.135
  448    H    ASN  18           H        ASN  18  11.813  10.626  -4.515
  449    HA   ASN  18           HA       ASN  18  14.118  11.918  -5.863
  450   2HB   ASN  18          2HB       ASN  18  11.370  12.893  -4.992
  451   1HD2  ASN  18          1HD2      ASN  18  11.998  14.777  -3.913
  452   2HD2  ASN  18          2HD2      ASN  18  12.791  16.085  -4.779
  453    H    GLU  19           H        GLU  19  12.690  11.148  -2.767
  454    HA   GLU  19           HA       GLU  19  14.086  13.300  -1.306
  455   2HB   GLU  19          2HB       GLU  19  12.872  12.254   0.660
  456   2HG   GLU  19          2HG       GLU  19  10.524  12.749  -0.089
  457    H    ASP  20           H        ASP  20  13.797   9.966  -0.169
  458    HA   ASP  20           HA       ASP  20  16.727   9.678  -0.072
  459   2HB   ASP  20          2HB       ASP  20  16.450   8.940   2.389
  460    H    LYS  21           H        LYS  21  16.245   8.172  -1.695
  461    HA   LYS  21           HA       LYS  21  14.978   5.604  -1.190
  462   2HB   LYS  21          2HB       LYS  21  16.581   4.782  -2.958
  463   2HG   LYS  21          2HG       LYS  21  15.130   7.329  -3.768
  464   2HD   LYS  21          2HD       LYS  21  16.429   6.164  -5.578
  465   2HE   LYS  21          2HE       LYS  21  14.582   3.865  -4.796
  466   1HZ   LYS  21          1HZ       LYS  21  16.059   4.254  -7.337
  467   2HZ   LYS  21          2HZ       LYS  21  14.433   4.047  -7.145
  468   3HZ   LYS  21          3HZ       LYS  21  15.460   2.814  -6.844
  469    H    ARG  22           H        ARG  22  17.880   6.950  -0.024
  470    HA   ARG  22           HA       ARG  22  19.156   4.567   1.070
  471   2HB   ARG  22          2HB       ARG  22  20.432   6.568   0.593
  472   2HG   ARG  22          2HG       ARG  22  18.743   7.967   2.724
  473   2HD   ARG  22          2HD       ARG  22  21.183   8.525   2.783
  474    HE   ARG  22           HE       ARG  22  22.076   8.765   0.625
  475   1HH1  ARG  22          1HH1      ARG  22  19.233  10.864   0.797
  476   2HH1  ARG  22          2HH1      ARG  22  19.613  11.579  -0.749
  477   1HH2  ARG  22          1HH2      ARG  22  22.463   9.741  -1.298
  478   2HH2  ARG  22          2HH2      ARG  22  21.381  10.977  -1.885
  479    H    LYS  23           H        LYS  23  16.590   6.606   2.185
  480    HA   LYS  23           HA       LYS  23  16.105   4.956   4.612
  481   2HB   LYS  23          2HB       LYS  23  15.677   7.078   5.947
  482   2HG   LYS  23          2HG       LYS  23  17.782   5.461   6.103
  483   2HD   LYS  23          2HD       LYS  23  19.298   6.752   4.610
  484   2HE   LYS  23          2HE       LYS  23  18.415   9.065   4.999
  485   1HZ   LYS  23          1HZ       LYS  23  19.803   8.813   7.613
  486   2HZ   LYS  23          2HZ       LYS  23  19.189  10.198   7.005
  487   3HZ   LYS  23          3HZ       LYS  23  18.186   8.982   7.426
  488    HA   PRO  24           HA       PRO  24  12.584   6.122   1.881
  489   2HB   PRO  24          2HB       PRO  24  12.876   4.046   0.852
  490   2HG   PRO  24          2HG       PRO  24  13.391   2.088   2.158
  491   2HD   PRO  24          2HD       PRO  24  15.091   3.649   2.417
  492    H    TYR  25           H        TYR  25  10.259   6.037   2.023
  493    HA   TYR  25           HA       TYR  25   9.086   6.287   4.716
  494   2HB   TYR  25          2HB       TYR  25   7.113   7.068   3.492
  495    HD1  TYR  25           HD2      TYR  25   9.748   7.937   1.031
  496    HD2  TYR  25           HD1      TYR  25   7.656   9.120   4.606
  497    HE1  TYR  25           HE2      TYR  25  10.719  10.216   0.832
  498    HE2  TYR  25           HE1      TYR  25   8.701  11.378   4.464
  499    HH   TYR  25           HH       TYR  25  10.088  12.735   3.305
  500    H    SER  26           H        SER  26   6.565   5.390   4.369
  501    HA   SER  26           HA       SER  26   6.460   2.592   3.473
  502   2HB   SER  26          2HB       SER  26   7.078   2.329   5.829
  503    HG   SER  26           HG       SER  26   6.466   4.191   6.778
  504    H    ASP  27           H        ASP  27   3.917   1.906   3.765
  505    HA   ASP  27           HA       ASP  27   2.599   3.932   2.193
  506   2HB   ASP  27          2HB       ASP  27   0.669   2.526   2.095
  507    H    GLN  28           H        GLN  28   2.574   3.338   5.686
  508    HA   GLN  28           HA       GLN  28   0.370   5.171   6.225
  509   2HB   GLN  28          2HB       GLN  28   2.686   4.112   7.875
  510   2HG   GLN  28          2HG       GLN  28   2.155   6.290   8.805
  511   1HE2  GLN  28          1HE2      GLN  28   0.505   7.638   7.661
  512   2HE2  GLN  28          2HE2      GLN  28  -1.159   7.578   8.231
  513    H    GLU  29           H        GLU  29   3.988   5.565   6.134
  514    HA   GLU  29           HA       GLU  29   3.886   8.309   6.865
  515   2HB   GLU  29          2HB       GLU  29   6.237   8.264   6.001
  516   2HG   GLU  29          2HG       GLU  29   5.358   6.089   7.932
  517    H    ILE  30           H        ILE  30   4.132   6.877   3.552
  518    HA   ILE  30           HA       ILE  30   4.063   9.462   2.263
  519    HB   ILE  30           HB       ILE  30   3.568   8.404   0.221
  520   2HG1  ILE  30          2HG1      ILE  30   1.887   6.825   0.713
  521   1HG2  ILE  30          1HG2      ILE  30   5.508   6.637   1.729
  522   2HG2  ILE  30          2HG2      ILE  30   5.534   7.080   0.016
  523   3HG2  ILE  30          3HG2      ILE  30   5.870   8.313   1.235
  524   1HD1  ILE  30          1HD1      ILE  30   3.446   6.083  -1.142
  525   2HD1  ILE  30          2HD1      ILE  30   4.263   5.045   0.050
  526   3HD1  ILE  30          3HD1      ILE  30   2.566   4.770  -0.343
  527    H    ALA  31           H        ALA  31   1.444   7.405   3.490
  528    HA   ALA  31           HA       ALA  31  -0.671   8.925   2.179
  529   1HB   ALA  31          1HB       ALA  31  -2.105   7.918   3.970
  530   2HB   ALA  31          2HB       ALA  31  -1.157   6.729   3.071
  531   3HB   ALA  31          3HB       ALA  31  -0.653   7.214   4.703
  532    H    ASN  32           H        ASN  32   1.139   9.332   5.165
  533    HA   ASN  32           HA       ASN  32  -0.506  11.402   6.303
  534   2HB   ASN  32          2HB       ASN  32   2.401  10.667   6.816
  535   1HD2  ASN  32          1HD2      ASN  32   3.301  12.424   7.912
  536   2HD2  ASN  32          2HD2      ASN  32   2.441  13.299   9.174
  537    H    ILE  33           H        ILE  33   2.650  11.637   4.579
  538    HA   ILE  33           HA       ILE  33   2.746  14.518   4.695
  539    HB   ILE  33           HB       ILE  33   3.960  12.780   2.545
  540   2HG1  ILE  33          2HG1      ILE  33   4.492  12.569   5.356
  541   1HG2  ILE  33          1HG2      ILE  33   4.181  15.067   1.962
  542   2HG2  ILE  33          2HG2      ILE  33   4.757  15.520   3.580
  543   3HG2  ILE  33          3HG2      ILE  33   5.759  14.511   2.506
  544   1HD1  ILE  33          1HD1      ILE  33   6.360  11.823   3.093
  545   2HD1  ILE  33          2HD1      ILE  33   6.072  10.973   4.649
  546   3HD1  ILE  33          3HD1      ILE  33   4.823  11.007   3.391
  547    H    LEU  34           H        LEU  34   1.216  12.339   2.413
  548    HA   LEU  34           HA       LEU  34   0.536  14.231   0.337
  549   2HB   LEU  34          2HB       LEU  34  -1.343  12.337   0.106
  550    HG   LEU  34           HG       LEU  34   0.156  12.378  -1.658
  551   1HD1  LEU  34          1HD1      LEU  34   2.564  11.722  -1.522
  552   2HD1  LEU  34          2HD1      LEU  34   2.181  13.231  -0.690
  553   3HD1  LEU  34          3HD1      LEU  34   2.433  11.752   0.252
  554   1HD2  LEU  34          1HD2      LEU  34  -0.701  10.091  -1.131
  555   2HD2  LEU  34          2HD2      LEU  34   0.831  10.095  -2.016
  556   3HD2  LEU  34          3HD2      LEU  34   0.818   9.749  -0.278
  557    H    LYS  35           H        LYS  35  -0.693  13.771   3.494
  558    HA   LYS  35           HA       LYS  35  -3.269  15.147   2.877
  559   2HB   LYS  35          2HB       LYS  35  -2.638  13.269   4.747
  560   2HG   LYS  35          2HG       LYS  35  -3.000  15.784   6.412
  561   2HD   LYS  35          2HD       LYS  35  -1.900  13.027   7.082
  562   2HE   LYS  35          2HE       LYS  35  -2.770  15.340   8.879
  563   1HZ   LYS  35          1HZ       LYS  35  -1.748  13.994  10.593
  564   2HZ   LYS  35          2HZ       LYS  35  -2.882  13.077   9.852
  565   3HZ   LYS  35          3HZ       LYS  35  -1.287  12.852   9.520
  566    H    GLU  36           H        GLU  36  -0.084  16.117   3.502
  567    HA   GLU  36           HA       GLU  36  -0.830  18.640   4.867
  568   2HB   GLU  36          2HB       GLU  36   1.551  19.042   5.009
  569   2HG   GLU  36          2HG       GLU  36   1.105  16.116   5.706
  570    H    LYS  37           H        LYS  37  -0.507  17.513   1.627
  571    HA   LYS  37           HA       LYS  37  -0.153  20.338   0.656
  572   2HB   LYS  37          2HB       LYS  37   1.886  19.153   0.396
  573   2HG   LYS  37          2HG       LYS  37   0.371  17.191  -1.354
  574   2HD   LYS  37          2HD       LYS  37   2.870  17.794  -1.833
  575   2HE   LYS  37          2HE       LYS  37   3.220  15.960   0.564
  576   1HZ   LYS  37          1HZ       LYS  37   5.161  17.679  -0.891
  577   2HZ   LYS  37          2HZ       LYS  37   5.063  16.054  -1.036
  578   3HZ   LYS  37          3HZ       LYS  37   5.527  16.726   0.380
  579    HN2  GLY  38           HN2      GLY  38  -2.078  17.359   0.116
  580   1HA   GLY  38          1HA       GLY  38  -4.269  18.911   0.118
  581   2HA   GLY  38          2HA       GLY  38  -3.855  19.022  -1.591
  582    H    PHE  39           H        PHE  39  -2.966  15.906  -0.516
  583    HA   PHE  39           HA       PHE  39  -5.065  14.936  -2.257
  584   2HB   PHE  39          2HB       PHE  39  -3.757  12.884  -2.283
  585    HD1  PHE  39           HD2      PHE  39  -3.817  14.407  -4.415
  586    HD2  PHE  39           HD1      PHE  39  -0.748  14.601  -1.371
  587    HE1  PHE  39           HE2      PHE  39  -2.341  15.551  -5.994
  588    HE2  PHE  39           HE1      PHE  39   0.743  15.747  -2.981
  589    HZ   PHE  39           HZ       PHE  39  -0.037  16.256  -5.292
  590    H    LYS  40           H        LYS  40  -4.442  15.006   1.057
  591    HA   LYS  40           HA       LYS  40  -4.897  13.648   2.898
  592   2HB   LYS  40          2HB       LYS  40  -6.271  15.571   3.059
  593   2HG   LYS  40          2HG       LYS  40  -7.916  14.257   0.953
  594   2HD   LYS  40          2HD       LYS  40  -9.920  15.621   1.630
  595   2HE   LYS  40          2HE       LYS  40  -9.105  13.369   3.511
  596   1HZ   LYS  40          1HZ       LYS  40 -11.114  14.561   4.237
  597   2HZ   LYS  40          2HZ       LYS  40 -11.495  13.060   3.731
  598   3HZ   LYS  40          3HZ       LYS  40 -11.809  14.348   2.776
  599    H    VAL  41           H        VAL  41  -4.444  11.854   1.033
  600    HA   VAL  41           HA       VAL  41  -6.585   9.791   1.101
  601    HB   VAL  41           HB       VAL  41  -5.563   9.941  -0.999
  602   1HG1  VAL  41          1HG1      VAL  41  -2.880   9.568   0.402
  603   2HG1  VAL  41          2HG1      VAL  41  -3.132   9.505  -1.350
  604   3HG1  VAL  41          3HG1      VAL  41  -3.439  11.007  -0.487
  605   1HG2  VAL  41          1HG2      VAL  41  -4.626   7.680  -1.358
  606   2HG2  VAL  41          2HG2      VAL  41  -4.356   7.472   0.345
  607   3HG2  VAL  41          3HG2      VAL  41  -6.016   7.614  -0.278
  608    H    ALA  42           H        ALA  42  -6.123   7.680   2.065
  609    HA   ALA  42           HA       ALA  42  -4.323   7.650   4.427
  610   1HB   ALA  42          1HB       ALA  42  -5.934   6.124   5.397
  611   2HB   ALA  42          2HB       ALA  42  -6.812   7.544   4.795
  612   3HB   ALA  42          3HB       ALA  42  -6.820   6.020   3.867
  613    H    ARG  43           H        ARG  43  -3.777   5.440   5.101
  614    HA   ARG  43           HA       ARG  43  -1.866   4.431   3.310
  615   2HB   ARG  43          2HB       ARG  43  -2.962   3.181   5.871
  616   2HG   ARG  43          2HG       ARG  43  -0.390   2.494   5.928
  617   2HD   ARG  43          2HD       ARG  43  -0.704   0.321   4.874
  618    HE   ARG  43           HE       ARG  43  -2.297   1.171   7.056
  619   1HH1  ARG  43          1HH1      ARG  43  -2.316  -1.420   4.686
  620   2HH1  ARG  43          2HH1      ARG  43  -3.181  -2.494   5.757
  621   1HH2  ARG  43          1HH2      ARG  43  -3.404  -0.310   8.367
  622   2HH2  ARG  43          2HH2      ARG  43  -3.750  -1.899   7.701
  623    H    ARG  44           H        ARG  44  -5.124   3.392   3.653
  624    HA   ARG  44           HA       ARG  44  -4.705   0.627   2.749
  625   2HB   ARG  44          2HB       ARG  44  -7.408   1.851   2.337
  626   2HG   ARG  44          2HG       ARG  44  -7.989  -0.053   3.944
  627   2HD   ARG  44          2HD       ARG  44  -6.978  -0.347   1.182
  628    HE   ARG  44           HE       ARG  44  -7.299  -2.868   2.749
  629   1HH1  ARG  44          1HH1      ARG  44  -5.038  -0.979   0.782
  630   2HH1  ARG  44          2HH1      ARG  44  -3.975  -2.353   0.639
  631   1HH2  ARG  44          1HH2      ARG  44  -6.024  -4.564   2.221
  632   2HH2  ARG  44          2HH2      ARG  44  -4.505  -4.283   1.403
  633    H    THR  45           H        THR  45  -5.486   3.741   1.224
  634    HA   THR  45           HA       THR  45  -6.102   2.669  -1.351
  635    HB   THR  45           HB       THR  45  -5.458   5.497  -0.442
  636    HG1  THR  45           HG1      THR  45  -7.297   5.640   0.607
  637   1HG2  THR  45          1HG2      THR  45  -7.461   4.370  -2.411
  638   2HG2  THR  45          2HG2      THR  45  -7.083   6.100  -2.154
  639   3HG2  THR  45          3HG2      THR  45  -5.872   5.027  -2.862
  640    H    VAL  46           H        VAL  46  -3.542   4.516   0.266
  641    HA   VAL  46           HA       VAL  46  -2.059   4.938  -2.053
  642    HB   VAL  46           HB       VAL  46  -2.023   6.017   0.389
  643   1HG1  VAL  46          1HG1      VAL  46   0.477   4.297   0.445
  644   2HG1  VAL  46          2HG1      VAL  46   0.019   5.606   1.539
  645   3HG1  VAL  46          3HG1      VAL  46  -0.950   4.117   1.478
  646   1HG2  VAL  46          1HG2      VAL  46   0.495   5.964  -1.295
  647   2HG2  VAL  46          2HG2      VAL  46  -0.946   6.909  -1.728
  648   3HG2  VAL  46          3HG2      VAL  46  -0.089   7.276  -0.239
  649    H    ALA  47           H        ALA  47  -2.128   2.251   0.258
  650    HA   ALA  47           HA       ALA  47   0.140   0.829  -0.660
  651   1HB   ALA  47          1HB       ALA  47  -0.852   0.493   1.556
  652   2HB   ALA  47          2HB       ALA  47  -2.382  -0.033   0.820
  653   3HB   ALA  47          3HB       ALA  47  -0.917  -1.025   0.645
  654    H    LYS  48           H        LYS  48  -3.279   0.888  -1.632
  655    HA   LYS  48           HA       LYS  48  -3.148  -1.368  -3.444
  656   2HB   LYS  48          2HB       LYS  48  -5.234  -0.066  -4.422
  657   2HG   LYS  48          2HG       LYS  48  -5.247  -1.066  -1.549
  658   2HD   LYS  48          2HD       LYS  48  -7.511  -0.799  -3.576
  659   2HE   LYS  48          2HE       LYS  48  -7.563  -1.600  -0.635
  660   1HZ   LYS  48          1HZ       LYS  48  -9.807  -2.394  -1.305
  661   2HZ   LYS  48          2HZ       LYS  48  -9.697  -0.778  -1.390
  662   3HZ   LYS  48          3HZ       LYS  48  -9.637  -1.680  -2.762
  663    H    TYR  49           H        TYR  49  -2.311   1.988  -3.648
  664    HA   TYR  49           HA       TYR  49  -2.137   2.025  -6.559
  665   2HB   TYR  49          2HB       TYR  49  -1.021   4.305  -5.992
  666    HD1  TYR  49           HD1      TYR  49  -4.286   2.543  -5.285
  667    HD2  TYR  49           HD2      TYR  49  -2.316   6.131  -6.582
  668    HE1  TYR  49           HE1      TYR  49  -6.415   3.352  -6.307
  669    HE2  TYR  49           HE2      TYR  49  -4.439   6.946  -7.616
  670    HH   TYR  49           HH       TYR  49  -7.155   6.126  -6.836
  671    H    ARG  50           H        ARG  50   0.374   2.300  -3.987
  672    HA   ARG  50           HA       ARG  50   2.586   2.106  -5.781
  673   2HB   ARG  50          2HB       ARG  50   2.878   2.774  -3.479
  674   2HG   ARG  50          2HG       ARG  50   1.401   0.538  -2.667
  675   2HD   ARG  50          2HD       ARG  50   3.325  -0.099  -0.855
  676    HE   ARG  50           HE       ARG  50   3.429  -1.772  -3.262
  677   1HH1  ARG  50          1HH1      ARG  50   1.757  -1.164  -0.189
  678   2HH1  ARG  50          2HH1      ARG  50   0.887  -2.688  -0.316
  679   1HH2  ARG  50          1HH2      ARG  50   2.507  -3.763  -3.138
  680   2HH2  ARG  50          2HH2      ARG  50   1.505  -4.201  -1.779
  681    H    GLU  51           H        GLU  51   0.377  -0.348  -4.861
  682    HA   GLU  51           HA       GLU  51   2.004  -2.664  -5.620
  683   2HB   GLU  51          2HB       GLU  51  -1.023  -2.365  -5.488
  684   2HG   GLU  51          2HG       GLU  51   0.778  -4.819  -5.359
  685    H    MET  52           H        MET  52  -0.201  -0.512  -7.392
  686    HA   MET  52           HA       MET  52  -0.044  -2.242  -9.805
  687   2HB   MET  52          2HB       MET  52  -2.251  -1.447  -8.989
  688   2HG   MET  52          2HG       MET  52  -1.373   1.219 -10.168
  689   1HE   MET  52          1HE       MET  52  -4.624   3.262  -9.441
  690   2HE   MET  52          2HE       MET  52  -3.172   3.056  -8.441
  691   3HE   MET  52          3HE       MET  52  -3.016   3.282 -10.195
  692    H    LEU  53           H        LEU  53   1.291   0.777  -8.668
  693    HA   LEU  53           HA       LEU  53   2.233   1.705 -11.270
  694   2HB   LEU  53          2HB       LEU  53   3.816   3.027  -9.618
  695    HG   LEU  53           HG       LEU  53   0.942   3.303 -10.361
  696   1HD1  LEU  53          1HD1      LEU  53   0.876   3.578  -7.831
  697   2HD1  LEU  53          2HD1      LEU  53   1.873   5.023  -8.049
  698   3HD1  LEU  53          3HD1      LEU  53   0.248   4.902  -8.755
  699   1HD2  LEU  53          1HD2      LEU  53   1.679   5.436 -11.149
  700   2HD2  LEU  53          2HD2      LEU  53   3.008   5.478  -9.978
  701   3HD2  LEU  53          3HD2      LEU  53   3.071   4.367 -11.366
  702    HN2  GLY  54           HN2      GLY  54   4.160   0.454  -8.526
  703   1HA   GLY  54          1HA       GLY  54   5.353  -1.710  -9.967
  704   2HA   GLY  54          2HA       GLY  54   6.376  -0.299 -10.210
  705    H    ILE  55           H        ILE  55   4.902  -0.539  -7.044
  706    HA   ILE  55           HA       ILE  55   7.624  -1.114  -5.957
  707    HB   ILE  55           HB       ILE  55   5.546   0.918  -5.217
  708   2HG1  ILE  55          2HG1      ILE  55   8.100   0.949  -6.710
  709   1HG2  ILE  55          1HG2      ILE  55   8.063   0.306  -3.633
  710   2HG2  ILE  55          2HG2      ILE  55   6.959   1.687  -3.411
  711   3HG2  ILE  55          3HG2      ILE  55   6.390   0.055  -3.083
  712   1HD1  ILE  55          1HD1      ILE  55   6.017   3.103  -6.172
  713   2HD1  ILE  55          2HD1      ILE  55   7.270   3.134  -7.435
  714   3HD1  ILE  55          3HD1      ILE  55   5.952   1.943  -7.523
  715    HA   PRO  56           HA       PRO  56   5.648  -4.269  -3.408
  716   2HB   PRO  56          2HB       PRO  56   7.630  -5.410  -3.633
  717   2HG   PRO  56          2HG       PRO  56   9.732  -4.282  -3.652
  718   2HD   PRO  56          2HD       PRO  56   8.501  -3.173  -5.307
  719    H    SER  57           H        SER  57   7.766  -1.999  -1.714
  720    HA   SER  57           HA       SER  57   5.705  -1.083   0.192
  721   2HB   SER  57          2HB       SER  57   6.531  -3.248   1.165
  722    HG   SER  57           HG       SER  57   8.609  -3.361   1.880
  723    H    SER  58           H        SER  58   8.510  -0.610  -1.482
  724    HA   SER  58           HA       SER  58  10.229   0.830  -1.672
  725   2HB   SER  58          2HB       SER  58  10.271   3.038  -0.668
  726    HG   SER  58           HG       SER  58   7.643   2.322  -1.445
  727    H    ARG  59           H        ARG  59   9.751  -0.977   1.070
  728    HA   ARG  59           HA       ARG  59  11.975   0.104   2.696
  729   2HB   ARG  59          2HB       ARG  59  10.490  -2.496   3.207
  730   2HG   ARG  59          2HG       ARG  59  11.388  -0.225   5.030
  731   2HD   ARG  59          2HD       ARG  59  10.589  -3.048   5.854
  732    HE   ARG  59           HE       ARG  59  10.135  -0.678   7.576
  733   1HH1  ARG  59          1HH1      ARG  59  12.507  -3.179   6.936
  734   2HH1  ARG  59          2HH1      ARG  59  13.224  -2.969   8.517
  735   1HH2  ARG  59          1HH2      ARG  59  10.974  -0.507   9.428
  736   2HH2  ARG  59          2HH2      ARG  59  12.382  -1.441   9.932
  737    H    GLU  60           H        GLU  60  11.142  -2.593   0.670
  738    HA   GLU  60           HA       GLU  60  13.859  -3.732   0.797
  739   2HB   GLU  60          2HB       GLU  60  12.323  -5.430   1.022
  740   2HG   GLU  60          2HG       GLU  60  10.718  -4.137  -1.193
  741    H    ARG  61           H        ARG  61  12.359  -1.476  -1.137
  742    HA   ARG  61           HA       ARG  61  14.099  -1.780  -3.493
  743   2HB   ARG  61          2HB       ARG  61  13.530   0.597  -3.942
  744   2HG   ARG  61          2HG       ARG  61  11.112  -1.105  -3.222
  745   2HD   ARG  61          2HD       ARG  61  10.620   1.297  -3.845
  746    HE   ARG  61           HE       ARG  61  11.866   2.085  -5.655
  747   1HH1  ARG  61          1HH1      ARG  61  10.606  -1.037  -6.638
  748   2HH1  ARG  61          2HH1      ARG  61  10.975  -0.732  -8.314
  749   1HH2  ARG  61          1HH2      ARG  61  12.243   2.421  -7.775
  750   2HH2  ARG  61          2HH2      ARG  61  11.921   1.140  -8.927
  751    H    ARG  62           H        ARG  62  14.377  -0.263  -0.311
  752    HA   ARG  62           HA       ARG  62  16.999   0.947  -0.793
  753   2HB   ARG  62          2HB       ARG  62  15.116   0.614   1.563
  754   2HG   ARG  62          2HG       ARG  62  16.927   2.797   1.976
  755   2HD   ARG  62          2HD       ARG  62  16.741   0.117   3.369
  756    HE   ARG  62           HE       ARG  62  18.197   2.514   4.021
  757   1HH1  ARG  62          1HH1      ARG  62  15.948   0.470   5.756
  758   2HH1  ARG  62          2HH1      ARG  62  16.560   0.988   7.308
  759   1HH2  ARG  62          1HH2      ARG  62  18.975   3.045   5.969
  760   2HH2  ARG  62          2HH2      ARG  62  18.249   2.405   7.422
  761    H    ILE  63           H        ILE  63  15.831  -1.516   1.502
  762    HA   ILE  63           HA       ILE  63  18.350  -2.412   2.456
  763    HB   ILE  63           HB       ILE  63  15.685  -3.597   2.441
  764   2HG1  ILE  63          2HG1      ILE  63  15.648  -3.187   4.843
  765   1HG2  ILE  63          1HG2      ILE  63  16.499  -5.279   4.155
  766   2HG2  ILE  63          2HG2      ILE  63  17.089  -5.565   2.523
  767   3HG2  ILE  63          3HG2      ILE  63  18.158  -4.815   3.724
  768   1HD1  ILE  63          1HD1      ILE  63  18.115  -3.122   5.344
  769   2HD1  ILE  63          2HD1      ILE  63  18.210  -1.567   4.483
  770   3HD1  ILE  63          3HD1      ILE  63  17.223  -1.721   5.944
  Start of MODEL   19
    1   1H5*    T  64          1H5*        T  64   7.902  -5.179  20.702
    2   2H5*    T  64          2H5*        T  64   7.671  -3.472  20.319
    3    H4*    T  64           H4*        T  64   9.163  -4.431  18.729
    4    H3*    T  64           H3*        T  64   6.469  -3.835  17.495
    5   1H2*    T  64          1H2*        T  64   7.331  -4.524  15.453
    6   2H2*    T  64          2H2*        T  64   9.033  -4.374  15.999
    7    H1*    T  64           H1*        T  64   8.869  -6.611  16.327
    8    H3     T  64           H3         T  64   5.754  -8.886  14.096
    9   1H5M    T  64          1H5M        T  64   3.479  -8.284  18.581
   10   2H5M    T  64          2H5M        T  64   3.308  -6.536  18.306
   11   3H5M    T  64          3H5M        T  64   2.460  -7.680  17.254
   12    H6     T  64           H6         T  64   5.685  -6.121  18.034
   13    H5T    T  64           H5T        T  64   5.686  -4.522  20.866
   14   1H5*    T  65          1H5*        T  65   9.481  -2.347  14.921
   15   2H5*    T  65          2H5*        T  65   9.105  -0.766  14.214
   16    H4*    T  65           H4*        T  65   9.430  -2.539  12.458
   17    H3*    T  65           H3*        T  65   6.726  -1.262  12.801
   18   1H2*    T  65          1H2*        T  65   5.721  -2.670  11.396
   19   2H2*    T  65          2H2*        T  65   7.167  -2.902  10.361
   20    H1*    T  65           H1*        T  65   7.753  -4.744  11.458
   21    H3     T  65           H3         T  65   3.985  -7.239  11.595
   22   1H5M    T  65          1H5M        T  65   4.116  -4.382  16.125
   23   2H5M    T  65          2H5M        T  65   2.872  -3.621  15.110
   24   3H5M    T  65          3H5M        T  65   2.664  -5.292  15.670
   25    H6     T  65           H6         T  65   5.611  -3.566  14.260
   26   1H5*    T  66          1H5*        T  66   8.281  -1.699   8.629
   27   2H5*    T  66          2H5*        T  66   7.964  -0.262   7.650
   28    H4*    T  66           H4*        T  66   7.445  -2.358   6.394
   29    H3*    T  66           H3*        T  66   5.767  -0.097   6.583
   30   1H2*    T  66          1H2*        T  66   4.172  -1.068   7.887
   31   2H2*    T  66          2H2*        T  66   3.546  -1.691   6.366
   32    H1*    T  66           H1*        T  66   4.674  -3.784   6.584
   33    H3     T  66           H3         T  66   1.859  -6.110   9.287
   34   1H5M    T  66          1H5M        T  66   1.692  -2.616  12.404
   35   2H5M    T  66          2H5M        T  66   3.454  -2.442  12.529
   36   3H5M    T  66          3H5M        T  66   2.508  -1.306  11.538
   37    H6     T  66           H6         T  66   4.215  -1.935   9.824
   38   1H5*    T  67          1H5*        T  67   5.147  -3.832   4.331
   39   2H5*    T  67          2H5*        T  67   4.860  -3.583   2.602
   40    H4*    T  67           H4*        T  67   3.800  -5.682   3.375
   41    H3*    T  67           H3*        T  67   2.591  -3.642   1.889
   42   1H2*    T  67          1H2*        T  67   1.151  -2.968   3.658
   43   2H2*    T  67          2H2*        T  67   0.105  -4.253   2.985
   44    H1*    T  67           H1*        T  67   1.063  -5.909   4.466
   45    H3     T  67           H3         T  67  -1.667  -5.217   8.056
   46   1H5M    T  67          1H5M        T  67   1.175  -0.664   7.232
   47   2H5M    T  67          2H5M        T  67  -0.163  -0.730   8.392
   48   3H5M    T  67          3H5M        T  67   1.434  -1.372   8.839
   49    H6     T  67           H6         T  67   1.667  -2.514   5.872
   50   1H5*    G  68          1H5*        G  68   0.805  -8.147   1.820
   51   2H5*    G  68          2H5*        G  68   0.341  -8.420   0.138
   52    H4*    G  68           H4*        G  68  -0.934  -9.820   1.666
   53    H3*    G  68           H3*        G  68  -2.116  -8.397  -0.399
   54    H1*    G  68           H1*        G  68  -3.661  -8.592   3.126
   55    H8     G  68           H8         G  68  -1.907  -5.177   2.462
   56    H1     G  68           H1         G  68  -5.673  -5.453   7.714
   57   1H2     G  68          1H2         G  68  -6.888  -7.375   7.546
   58   2H2     G  68          2H2         G  68  -6.381  -8.613   6.405
   59   1H2*    G  68          1H2*        G  68  -2.930  -6.640   0.919
   60   2H2*    G  68          2H2*        G  68  -4.343  -7.725   1.040
   61   1H5*    G  69          1H5*        G  69  -4.895 -11.099   2.389
   62   2H5*    G  69          2H5*        G  69  -5.683 -12.204   1.260
   63    H4*    G  69           H4*        G  69  -7.113 -11.914   3.151
   64    H3*    G  69           H3*        G  69  -8.021 -11.434   0.544
   65    H1*    G  69           H1*        G  69  -9.041  -9.427   3.636
   66    H8     G  69           H8         G  69  -6.699  -7.322   1.326
   67    H1     G  69           H1         G  69  -9.163  -4.150   6.371
   68   1H2     G  69          1H2         G  69 -10.732  -5.449   7.331
   69   2H2     G  69          2H2         G  69 -10.994  -7.082   6.729
   70   1H2*    G  69          1H2*        G  69  -8.090  -9.099   0.758
   71   2H2*    G  69          2H2*        G  69  -9.735  -9.466   1.345
   72   1H5*    C  70          1H5*        C  70 -11.228 -11.339   4.000
   73   2H5*    C  70          2H5*        C  70 -12.707 -12.163   3.495
   74    H4*    C  70           H4*        C  70 -13.248 -10.234   4.838
   75    H3*    C  70           H3*        C  70 -14.281 -10.512   2.151
   76    H1*    C  70           H1*        C  70 -13.580  -7.518   4.320
   77   1H4     C  70          1H4         C  70 -10.224  -2.561   2.505
   78   2H4     C  70          2H4         C  70  -9.315  -3.445   1.269
   79    H5     C  70           H5         C  70  -9.675  -5.806   0.905
   80    H6     C  70           H6         C  70 -11.086  -7.740   1.533
   81   1H2*    C  70          1H2*        C  70 -13.371  -8.496   1.439
   82   2H2*    C  70          2H2*        C  70 -14.796  -7.792   2.255
   83   1H5*    A  71          1H5*        A  71 -16.661  -8.254   5.668
   84   2H5*    A  71          2H5*        A  71 -18.410  -8.236   5.394
   85    H4*    A  71           H4*        A  71 -17.566  -6.127   6.384
   86    H3*    A  71           H3*        A  71 -18.767  -5.971   3.615
   87    H1*    A  71           H1*        A  71 -15.964  -3.718   5.163
   88    H8     A  71           H8         A  71 -16.264  -6.022   2.079
   89   1H6     A  71          1H6         A  71 -12.596  -1.491  -0.348
   90   2H6     A  71          2H6         A  71 -13.162  -3.126  -0.744
   91    H2     A  71           H2         A  71 -14.126  -0.096   3.332
   92   1H2*    A  71          1H2*        A  71 -18.256  -3.671   3.520
   93   2H2*    A  71          2H2*        A  71 -18.164  -3.535   5.300
   94   1H5*    C  72          1H5*        C  72 -19.850  -3.255   7.139
   95   2H5*    C  72          2H5*        C  72 -21.513  -2.653   7.107
   96    H4*    C  72           H4*        C  72 -19.991  -0.842   7.686
   97    H3*    C  72           H3*        C  72 -21.137  -0.622   4.893
   98    H1*    C  72           H1*        C  72 -17.810   0.790   6.208
   99   1H4     C  72          1H4         C  72 -15.447   0.386   0.344
  100   2H4     C  72          2H4         C  72 -16.807  -0.536  -0.177
  101    H5     C  72           H5         C  72 -18.392  -1.532   1.340
  102    H6     C  72           H6         C  72 -19.364  -1.306   3.602
  103   1H2*    C  72          1H2*        C  72 -20.079   1.444   4.710
  104   2H2*    C  72          2H2*        C  72 -19.888   1.631   6.480
  105   1H5*    G  73          1H5*        G  73 -21.818   3.086   6.852
  106   2H5*    G  73          2H5*        G  73 -23.384   3.830   6.471
  107    H4*    G  73           H4*        G  73 -21.571   5.403   6.052
  108    H3*    G  73           H3*        G  73 -22.863   4.362   3.520
  109    H1*    G  73           H1*        G  73 -19.122   5.244   3.779
  110    H8     G  73           H8         G  73 -21.508   2.293   3.279
  111    H1     G  73           H1         G  73 -17.036   3.099  -1.308
  112   1H2     G  73          1H2         G  73 -16.499   5.304  -1.335
  113   2H2     G  73          2H2         G  73 -16.922   6.289   0.063
  114   1H2*    G  73          1H2*        G  73 -21.351   5.798   2.318
  115   2H2*    G  73          2H2*        G  73 -20.911   6.692   3.806
  116   1H5*    T  74          1H5*        T  74 -22.073   8.291   2.780
  117   2H5*    T  74          2H5*        T  74 -23.417   9.239   2.115
  118    H4*    T  74           H4*        T  74 -21.364   9.409   0.687
  119    H3*    T  74           H3*        T  74 -23.706   7.901  -0.497
  120   1H2*    T  74          1H2*        T  74 -22.398   7.645  -2.466
  121   2H2*    T  74          2H2*        T  74 -21.297   8.970  -1.998
  122    H1*    T  74           H1*        T  74 -19.964   7.425  -1.136
  123    H3     T  74           H3         T  74 -20.363   3.367  -3.260
  124   1H5M    T  74          1H5M        T  74 -24.375   3.063  -0.261
  125   2H5M    T  74          2H5M        T  74 -23.097   2.000   0.368
  126   3H5M    T  74          3H5M        T  74 -23.462   3.529   1.191
  127    H6     T  74           H6         T  74 -22.598   5.648   0.342
  128   1H5*    T  75          1H5*        T  75 -21.930  10.656  -3.216
  129   2H5*    T  75          2H5*        T  75 -23.090  11.705  -4.030
  130    H4*    T  75           H4*        T  75 -21.527  10.674  -5.621
  131    H3*    T  75           H3*        T  75 -24.396  10.570  -5.779
  132   1H2*    T  75          1H2*        T  75 -24.717   8.424  -6.048
  133   2H2*    T  75          2H2*        T  75 -23.967   8.542  -7.651
  134    H1*    T  75           H1*        T  75 -21.966   7.774  -6.952
  135    H3     T  75           H3         T  75 -22.480   3.397  -5.882
  136   1H5M    T  75          1H5M        T  75 -24.597   6.080  -1.868
  137   2H5M    T  75          2H5M        T  75 -26.011   5.955  -2.937
  138   3H5M    T  75          3H5M        T  75 -25.265   4.489  -2.273
  139    H6     T  75           H6         T  75 -24.037   7.587  -4.110
  140   1H5*    T  76          1H5*        T  76 -21.725   9.893  -9.551
  141   2H5*    T  76          2H5*        T  76 -22.343  10.691 -11.006
  142    H4*    T  76           H4*        T  76 -21.482   8.467 -11.555
  143    H3*    T  76           H3*        T  76 -24.380   9.057 -11.885
  144   1H2*    T  76          1H2*        T  76 -25.087   6.939 -11.619
  145   2H2*    T  76          2H2*        T  76 -23.874   6.337 -12.775
  146    H1*    T  76           H1*        T  76 -22.398   5.727 -11.252
  147    H3     T  76           H3         T  76 -24.265   2.587  -8.513
  148   1H5M    T  76          1H5M        T  76 -25.953   6.439  -6.081
  149   2H5M    T  76          2H5M        T  76 -26.534   7.410  -7.441
  150   3H5M    T  76          3H5M        T  76 -27.386   5.909  -6.997
  151    H6     T  76           H6         T  76 -25.006   7.306  -9.143
  152   1H5*    C  77          1H5*        C  77 -22.109   6.512 -15.049
  153   2H5*    C  77          2H5*        C  77 -22.829   6.592 -16.662
  154    H4*    C  77           H4*        C  77 -22.443   4.275 -16.113
  155    H3*    C  77           H3*        C  77 -25.379   4.933 -15.865
  156    H1*    C  77           H1*        C  77 -23.199   2.189 -14.172
  157   1H4     C  77          1H4         C  77 -27.673   2.070  -9.701
  158   2H4     C  77          2H4         C  77 -28.157   3.747  -9.994
  159    H5     C  77           H5         C  77 -27.114   5.087 -11.733
  160    H6     C  77           H6         C  77 -25.392   5.005 -13.571
  161    H3T    C  77           H3T        C  77 -25.378   3.896 -17.948
  162   1H2*    C  77          1H2*        C  77 -25.718   2.651 -15.433
  163   2H2*    C  77          2H2*        C  77 -24.181   2.170 -16.219
  164   1H5*    G  78          1H5*        G  78 -31.588  -7.734  -8.821
  165   2H5*    G  78          2H5*        G  78 -30.468  -8.748  -7.893
  166    H4*    G  78           H4*        G  78 -29.483  -8.359 -10.030
  167    H3*    G  78           H3*        G  78 -28.190  -6.754  -7.819
  168    H1*    G  78           H1*        G  78 -28.525  -5.538 -11.535
  169    H8     G  78           H8         G  78 -30.040  -4.624  -8.221
  170    H1     G  78           H1         G  78 -26.571   0.107 -10.914
  171   1H2     G  78          1H2         G  78 -25.260  -0.809 -12.461
  172   2H2     G  78          2H2         G  78 -25.479  -2.504 -12.910
  173   1H2*    G  78          1H2*        G  78 -26.855  -5.646  -9.312
  174   2H2*    G  78          2H2*        G  78 -26.990  -6.920 -10.574
  175    H5T    G  78           H5T        G  78 -31.363  -7.032  -6.630
  176   1H5*    A  79          1H5*        A  79 -25.044  -7.985 -10.303
  177   2H5*    A  79          2H5*        A  79 -23.656  -8.626  -9.418
  178    H4*    A  79           H4*        A  79 -23.037  -6.675 -10.845
  179    H3*    A  79           H3*        A  79 -22.762  -6.467  -7.857
  180    H1*    A  79           H1*        A  79 -23.347  -3.702 -10.615
  181    H8     A  79           H8         A  79 -25.569  -4.693  -7.678
  182   1H6     A  79          1H6         A  79 -25.897   1.535  -6.752
  183   2H6     A  79          2H6         A  79 -26.621   0.019  -6.197
  184    H2     A  79           H2         A  79 -22.879   0.856  -9.665
  185   1H2*    A  79          1H2*        A  79 -22.211  -4.247  -8.010
  186   2H2*    A  79          2H2*        A  79 -21.488  -4.433  -9.637
  187   1H5*    A  80          1H5*        A  80 -19.625  -5.440 -10.881
  188   2H5*    A  80          2H5*        A  80 -17.926  -5.743 -10.482
  189    H4*    A  80           H4*        A  80 -18.371  -3.443 -11.497
  190    H3*    A  80           H3*        A  80 -17.035  -3.782  -8.816
  191    H1*    A  80           H1*        A  80 -19.304  -0.885 -10.213
  192    H8     A  80           H8         A  80 -20.068  -3.443  -7.442
  193   1H6     A  80          1H6         A  80 -23.169   1.340  -4.746
  194   2H6     A  80          2H6         A  80 -22.852  -0.389  -4.566
  195    H2     A  80           H2         A  80 -21.114   2.867  -8.195
  196   1H2*    A  80          1H2*        A  80 -17.603  -1.889  -8.068
  197   2H2*    A  80          2H2*        A  80 -17.154  -1.010  -9.570
  198   1H5*    A  81          1H5*        A  81 -15.282  -0.437 -11.348
  199   2H5*    A  81          2H5*        A  81 -13.512  -0.398 -11.215
  200    H4*    A  81           H4*        A  81 -14.495   1.833 -10.640
  201    H3*    A  81           H3*        A  81 -13.058   0.215  -8.567
  202    H1*    A  81           H1*        A  81 -15.955   2.839  -8.241
  203    H8     A  81           H8         A  81 -15.877  -0.936  -7.206
  204   1H6     A  81          1H6         A  81 -20.382   0.886  -3.209
  205   2H6     A  81          2H6         A  81 -19.400  -0.513  -3.652
  206    H2     A  81           H2         A  81 -19.350   4.265  -5.640
  207   1H2*    A  81          1H2*        A  81 -13.976   1.258  -6.809
  208   2H2*    A  81          2H2*        A  81 -13.890   2.864  -7.592
  209   1H5*    C  82          1H5*        C  82 -12.459   4.813  -8.879
  210   2H5*    C  82          2H5*        C  82 -10.822   5.299  -8.420
  211    H4*    C  82           H4*        C  82 -12.385   6.818  -7.398
  212    H3*    C  82           H3*        C  82 -11.169   4.866  -5.428
  213    H1*    C  82           H1*        C  82 -14.617   6.518  -5.135
  214   1H4     C  82          1H4         C  82 -17.291   1.766  -2.303
  215   2H4     C  82          2H4         C  82 -16.087   0.700  -2.938
  216    H5     C  82           H5         C  82 -14.407   1.345  -4.541
  217    H6     C  82           H6         C  82 -13.219   3.217  -5.501
  218   1H2*    C  82          1H2*        C  82 -12.316   6.032  -3.696
  219   2H2*    C  82          2H2*        C  82 -12.595   7.451  -4.732
  220   1H5*    G  83          1H5*        G  83 -10.383   8.724  -3.630
  221   2H5*    G  83          2H5*        G  83  -8.753   8.700  -2.956
  222    H4*    G  83           H4*        G  83 -10.275   9.377  -1.301
  223    H3*    G  83           H3*        G  83  -8.459   7.696  -0.656
  224    H1*    G  83           H1*        G  83 -12.089   6.874   0.369
  225    H8     G  83           H8         G  83 -10.644   4.692  -2.476
  226    H1     G  83           H1         G  83 -15.377   1.935   0.930
  227   1H2     G  83          1H2         G  83 -15.715   3.206   2.742
  228   2H2     G  83          2H2         G  83 -15.084   4.849   2.798
  229   1H2*    G  83          1H2*        G  83  -9.624   5.724  -0.968
  230   2H2*    G  83          2H2*        G  83  -9.990   5.935   0.756
  231   1H5*    T  84          1H5*        T  84 -11.715   7.830   3.018
  232   2H5*    T  84          2H5*        T  84 -10.676   8.312   4.382
  233    H4*    T  84           H4*        T  84 -12.210   6.555   5.121
  234    H3*    T  84           H3*        T  84  -9.407   6.401   5.475
  235   1H2*    T  84          1H2*        T  84  -9.088   4.820   3.745
  236   2H2*    T  84          2H2*        T  84  -9.311   3.725   5.137
  237    H1*    T  84           H1*        T  84 -11.672   3.595   4.768
  238    H3     T  84           H3         T  84 -12.564   0.350   1.799
  239   1H5M    T  84          1H5M        T  84  -8.134   1.961  -0.031
  240   2H5M    T  84          2H5M        T  84  -9.439   1.874  -1.231
  241   3H5M    T  84          3H5M        T  84  -8.964   3.435  -0.597
  242    H6     T  84           H6         T  84  -9.437   4.009   1.750
  243   1H5*    G  85          1H5*        G  85 -13.236   5.417   8.710
  244   2H5*    G  85          2H5*        G  85 -12.759   5.587  10.403
  245    H4*    G  85           H4*        G  85 -13.878   3.469  10.161
  246    H3*    G  85           H3*        G  85 -10.901   3.274  10.502
  247    H1*    G  85           H1*        G  85 -13.491   0.932   8.677
  248    H8     G  85           H8         G  85 -10.417   2.753   7.240
  249    H1     G  85           H1         G  85 -11.880  -2.870   4.420
  250   1H2     G  85          1H2         G  85 -13.383  -3.918   5.721
  251   2H2     G  85          2H2         G  85 -14.013  -3.130   7.172
  252   1H2*    G  85          1H2*        G  85 -10.751   1.187   9.727
  253   2H2*    G  85          2H2*        G  85 -12.254   0.652  10.533
  254   1H5*    C  86          1H5*        C  86 -13.331   0.123  12.881
  255   2H5*    C  86          2H5*        C  86 -12.577  -0.176  14.453
  256    H4*    C  86           H4*        C  86 -13.120  -2.280  13.312
  257    H3*    C  86           H3*        C  86 -10.324  -1.607  14.005
  258    H1*    C  86           H1*        C  86 -11.833  -3.827  11.126
  259   1H4     C  86          1H4         C  86  -8.539  -2.401   5.905
  260   2H4     C  86          2H4         C  86  -7.978  -0.927   6.620
  261    H5     C  86           H5         C  86  -8.592  -0.124   8.772
  262    H6     C  86           H6         C  86  -9.794  -0.735  10.840
  263   1H2*    C  86          1H2*        C  86  -9.346  -2.642  12.279
  264   2H2*    C  86          2H2*        C  86 -10.196  -4.152  12.641
  265   1H5*    C  87          1H5*        C  87 -11.846  -6.013  14.299
  266   2H5*    C  87          2H5*        C  87 -11.013  -6.982  15.522
  267    H4*    C  87           H4*        C  87 -11.181  -8.210  13.419
  268    H3*    C  87           H3*        C  87  -8.371  -7.300  14.095
  269    H1*    C  87           H1*        C  87 -10.048  -8.029  10.649
  270   1H4     C  87          1H4         C  87  -6.651  -3.769   7.545
  271   2H4     C  87          2H4         C  87  -6.273  -2.932   9.032
  272    H5     C  87           H5         C  87  -6.805  -3.692  11.109
  273    H6     C  87           H6         C  87  -8.077  -5.404  12.432
  274   1H2*    C  87          1H2*        C  87  -7.624  -8.340  12.118
  275   2H2*    C  87          2H2*        C  87  -9.033  -9.429  12.046
  276   1H5*    A  88          1H5*        A  88  -8.566 -11.364  12.912
  277   2H5*    A  88          2H5*        A  88  -7.624 -12.505  13.863
  278    H4*    A  88           H4*        A  88  -7.287 -12.617  11.373
  279    H3*    A  88           H3*        A  88  -5.391 -13.042  13.327
  280    H1*    A  88           H1*        A  88  -4.660 -10.886  10.201
  281    H8     A  88           H8         A  88  -5.473  -8.689  13.331
  282   1H6     A  88          1H6         A  88  -2.702  -4.175   9.988
  283   2H6     A  88          2H6         A  88  -3.552  -4.486  11.504
  284    H2     A  88           H2         A  88  -2.595  -7.768   7.619
  285   1H2*    A  88          1H2*        A  88  -4.425 -10.896  13.234
  286   2H2*    A  88          2H2*        A  88  -3.395 -11.709  12.024
  287   1H5*    A  89          1H5*        A  89  -4.355 -13.832   8.729
  288   2H5*    A  89          2H5*        A  89  -3.764 -15.497   8.703
  289    H4*    A  89           H4*        A  89  -2.894 -14.262   6.810
  290    H3*    A  89           H3*        A  89  -1.299 -15.776   8.469
  291    H1*    A  89           H1*        A  89  -0.202 -12.241   7.354
  292    H8     A  89           H8         A  89  -1.298 -12.550  11.085
  293   1H6     A  89          1H6         A  89   0.188  -6.469  11.291
  294   2H6     A  89          2H6         A  89  -0.418  -7.801  12.278
  295    H2     A  89           H2         A  89   0.742  -7.816   7.221
  296   1H2*    A  89          1H2*        A  89  -0.343 -14.094   9.724
  297   2H2*    A  89          2H2*        A  89   0.819 -14.040   8.371
  298   1H5*    A  90          1H5*        A  90   1.522 -13.926   5.073
  299   2H5*    A  90          2H5*        A  90   2.465 -15.284   4.439
  300    H4*    A  90           H4*        A  90   3.925 -13.402   4.683
  301    H3*    A  90           H3*        A  90   4.428 -15.843   6.106
  302    H1*    A  90           H1*        A  90   5.229 -12.200   7.157
  303    H8     A  90           H8         A  90   2.841 -14.128   9.536
  304   1H6     A  90          1H6         A  90   2.381  -8.597  12.481
  305   2H6     A  90          2H6         A  90   1.804 -10.262  12.520
  306    H2     A  90           H2         A  90   5.064  -8.080   9.145
  307   1H2*    A  90          1H2*        A  90   4.376 -14.933   8.196
  308   2H2*    A  90          2H2*        A  90   6.015 -14.342   7.822
  309   1H5*    A  91          1H5*        A  91   8.265 -13.023   5.036
  310   2H5*    A  91          2H5*        A  91   9.716 -14.035   5.016
  311    H4*    A  91           H4*        A  91  10.235 -12.003   6.204
  312    H3*    A  91           H3*        A  91   9.800 -14.313   8.149
  313    H1*    A  91           H1*        A  91   9.275 -10.535   8.691
  314    H8     A  91           H8         A  91   7.737 -14.003   9.387
  315   1H6     A  91          1H6         A  91   4.602 -10.781  13.812
  316   2H6     A  91          2H6         A  91   4.800 -12.411  13.164
  317    H2     A  91           H2         A  91   7.205  -8.034  11.760
  318    H3T    A  91           H3T        A  91  11.646 -14.517   6.768
  319   1H2*    A  91          1H2*        A  91  10.428 -12.835   9.882
  320   2H2*    A  91          2H2*        A  91  11.219 -11.703   8.746
  321   1H    HIS   1          1H        HIS   1  -8.477  13.358  -0.413
  322   2H    HIS   1          2H        HIS   1  -9.011  13.063   1.110
  323   3H    HIS   1          3H        HIS   1  -9.776  14.173   0.166
  324    HA   HIS   1           HA       HIS   1  -9.649  11.288  -0.351
  325   2HB   HIS   1          2HB       HIS   1 -11.844  11.033   0.344
  326    HD1  HIS   1           HD1      HIS   1  -9.784  10.844   2.671
  327    HD2  HIS   1           HD2      HIS   1 -12.844  13.765   2.398
  328    HE1  HIS   1           HE1      HIS   1 -10.158  11.689   4.996
  329    H    MET   2           H        MET   2 -11.618  10.760  -1.869
  330    HA   MET   2           HA       MET   2 -12.329  10.718  -4.040
  331   2HB   MET   2          2HB       MET   2 -14.136  12.356  -4.311
  332   2HG   MET   2          2HG       MET   2 -15.321  11.971  -2.199
  333   1HE   MET   2          1HE       MET   2 -16.220   9.662  -1.017
  334   2HE   MET   2          2HE       MET   2 -15.555   8.060  -1.399
  335   3HE   MET   2          3HE       MET   2 -14.574   9.230  -0.496
  336    H    LEU   3           H        LEU   3  -9.793  11.472  -4.205
  337    HA   LEU   3           HA       LEU   3  -9.155  13.712  -5.817
  338   2HB   LEU   3          2HB       LEU   3  -7.055  12.294  -6.261
  339    HG   LEU   3           HG       LEU   3  -7.853  12.301  -3.330
  340   1HD1  LEU   3          1HD1      LEU   3  -5.627  12.047  -2.861
  341   2HD1  LEU   3          2HD1      LEU   3  -5.652  11.216  -4.439
  342   3HD1  LEU   3          3HD1      LEU   3  -5.084  12.858  -4.361
  343   1HD2  LEU   3          1HD2      LEU   3  -8.208  14.571  -4.111
  344   2HD2  LEU   3          2HD2      LEU   3  -6.645  14.535  -3.308
  345   3HD2  LEU   3          3HD2      LEU   3  -6.726  14.507  -5.093
  346    H    THR   4           H        THR   4  -7.840  13.349  -7.874
  347    HA   THR   4           HA       THR   4  -9.749  12.828 -10.026
  348    HB   THR   4           HB       THR   4  -7.989  13.549 -11.547
  349    HG1  THR   4           HG1      THR   4  -6.003  14.203 -10.598
  350   1HG2  THR   4          1HG2      THR   4  -9.267  15.307 -10.445
  351   2HG2  THR   4          2HG2      THR   4  -8.105  15.347  -9.108
  352   3HG2  THR   4          3HG2      THR   4  -7.595  15.809 -10.748
  353    H    GLN   5           H        GLN   5  -8.389  11.779 -12.086
  354    HA   GLN   5           HA       GLN   5  -8.484   9.006 -11.938
  355   2HB   GLN   5          2HB       GLN   5  -8.445  10.359 -13.979
  356   2HG   GLN   5          2HG       GLN   5  -5.429  10.571 -13.570
  357   1HE2  GLN   5          1HE2      GLN   5  -7.683  12.576 -15.534
  358   2HE2  GLN   5          2HE2      GLN   5  -6.939  12.110 -17.062
  359    HN2  GLY   6           HN2      GLY   6  -5.804  11.031 -10.815
  360   1HA   GLY   6          1HA       GLY   6  -4.792   8.829  -9.284
  361   2HA   GLY   6          2HA       GLY   6  -3.765   9.124 -10.694
  362    H    GLU   7           H        GLU   7  -5.365  11.652  -8.460
  363    HA   GLU   7           HA       GLU   7  -3.017  13.201  -8.494
  364   2HB   GLU   7          2HB       GLU   7  -4.656  13.823  -6.237
  365   2HG   GLU   7          2HG       GLU   7  -4.662  15.060  -9.011
  366    H    LEU   8           H        LEU   8  -3.714  10.424  -6.691
  367    HA   LEU   8           HA       LEU   8  -1.322  10.939  -4.945
  368   2HB   LEU   8          2HB       LEU   8  -3.480  10.627  -3.781
  369    HG   LEU   8           HG       LEU   8  -3.935   8.425  -5.422
  370   1HD1  LEU   8          1HD1      LEU   8  -3.036   7.434  -2.664
  371   2HD1  LEU   8          2HD1      LEU   8  -3.780   6.438  -3.912
  372   3HD1  LEU   8          3HD1      LEU   8  -2.168   7.125  -4.184
  373   1HD2  LEU   8          1HD2      LEU   8  -5.868   9.084  -4.464
  374   2HD2  LEU   8          2HD2      LEU   8  -5.559   7.746  -3.380
  375   3HD2  LEU   8          3HD2      LEU   8  -5.132   9.398  -2.880
  376    H    MET   9           H        MET   9  -2.322   9.209  -7.673
  377    HA   MET   9           HA       MET   9  -0.706   6.778  -7.321
  378   2HB   MET   9          2HB       MET   9  -2.525   7.915  -9.417
  379   2HG   MET   9          2HG       MET   9  -0.294   6.040 -10.085
  380   1HE   MET   9          1HE       MET   9  -0.639   6.126 -13.221
  381   2HE   MET   9          2HE       MET   9  -0.135   4.676 -12.325
  382   3HE   MET   9          3HE       MET   9  -1.449   4.573 -13.518
  383    H    LYS  10           H        LYS  10  -0.598   9.491  -9.560
  384    HA   LYS  10           HA       LYS  10   2.133   8.874 -10.407
  385   2HB   LYS  10          2HB       LYS  10   0.439   9.580 -11.970
  386   2HG   LYS  10          2HG       LYS  10   0.502  12.455 -11.244
  387   2HD   LYS  10          2HD       LYS  10  -1.882  10.654 -11.864
  388   2HE   LYS  10          2HE       LYS  10  -2.358  12.896 -10.884
  389   1HZ   LYS  10          1HZ       LYS  10  -0.595  14.185 -11.971
  390   2HZ   LYS  10          2HZ       LYS  10  -1.235  13.896 -13.448
  391   3HZ   LYS  10          3HZ       LYS  10  -2.056  14.799 -12.365
  392    H    LEU  11           H        LEU  11   1.674   9.715  -7.620
  393    HA   LEU  11           HA       LEU  11   3.630  11.930  -7.261
  394   2HB   LEU  11          2HB       LEU  11   2.284  12.559  -5.224
  395    HG   LEU  11           HG       LEU  11   0.550  13.848  -6.190
  396   1HD1  LEU  11          1HD1      LEU  11   2.844  13.743  -8.174
  397   2HD1  LEU  11          2HD1      LEU  11   1.752  15.112  -7.883
  398   3HD1  LEU  11          3HD1      LEU  11   2.881  14.593  -6.609
  399   1HD2  LEU  11          1HD2      LEU  11  -0.136  11.872  -7.808
  400   2HD2  LEU  11          2HD2      LEU  11  -0.434  13.566  -8.282
  401   3HD2  LEU  11          3HD2      LEU  11   0.964  12.697  -8.920
  402    H    ILE  12           H        ILE  12   2.185   8.865  -5.929
  403    HA   ILE  12           HA       ILE  12   3.836   8.988  -3.542
  404    HB   ILE  12           HB       ILE  12   3.511   6.511  -3.441
  405   2HG1  ILE  12          2HG1      ILE  12   2.772   6.686  -6.164
  406   1HG2  ILE  12          1HG2      ILE  12   1.053   6.717  -2.942
  407   2HG2  ILE  12          2HG2      ILE  12   2.133   7.862  -2.119
  408   3HG2  ILE  12          3HG2      ILE  12   1.159   8.396  -3.490
  409   1HD1  ILE  12          1HD1      ILE  12   3.715   4.709  -4.912
  410   2HD1  ILE  12          2HD1      ILE  12   2.101   4.460  -4.194
  411   3HD1  ILE  12          3HD1      ILE  12   2.344   4.304  -5.942
  412    H    LYS  13           H        LYS  13   4.447   7.915  -6.798
  413    HA   LYS  13           HA       LYS  13   7.122   6.781  -6.005
  414   2HB   LYS  13          2HB       LYS  13   5.895   5.348  -7.374
  415   2HG   LYS  13          2HG       LYS  13   4.365   6.960  -8.530
  416   2HD   LYS  13          2HD       LYS  13   5.849   8.610  -9.545
  417   2HE   LYS  13          2HE       LYS  13   6.966   6.257 -11.133
  418   1HZ   LYS  13          1HZ       LYS  13   8.296   7.994 -12.210
  419   2HZ   LYS  13          2HZ       LYS  13   7.491   9.177 -11.417
  420   3HZ   LYS  13          3HZ       LYS  13   6.710   8.242 -12.507
  421    H    GLU  14           H        GLU  14   5.949   9.699  -6.831
  422    HA   GLU  14           HA       GLU  14   8.287  10.629  -8.431
  423   2HB   GLU  14          2HB       GLU  14   5.764  12.202  -7.843
  424   2HG   GLU  14          2HG       GLU  14   7.528  13.471  -8.996
  425    H    ILE  15           H        ILE  15   7.026  10.695  -5.212
  426    HA   ILE  15           HA       ILE  15   9.040  12.742  -4.430
  427    HB   ILE  15           HB       ILE  15   7.955  12.937  -2.337
  428   2HG1  ILE  15          2HG1      ILE  15   6.497  10.464  -3.115
  429   1HG2  ILE  15          1HG2      ILE  15   5.856  13.150  -4.523
  430   2HG2  ILE  15          2HG2      ILE  15   5.898  14.029  -2.987
  431   3HG2  ILE  15          3HG2      ILE  15   7.152  14.325  -4.205
  432   1HD1  ILE  15          1HD1      ILE  15   8.009  10.648  -1.140
  433   2HD1  ILE  15          2HD1      ILE  15   6.918  11.862  -0.439
  434   3HD1  ILE  15          3HD1      ILE  15   6.349  10.200  -0.689
  435    H    VAL  16           H        VAL  16   7.885   9.349  -3.704
  436    HA   VAL  16           HA       VAL  16   9.979   8.938  -1.848
  437    HB   VAL  16           HB       VAL  16   8.434   6.850  -3.437
  438   1HG1  VAL  16          1HG1      VAL  16  10.344   6.645  -1.088
  439   2HG1  VAL  16          2HG1      VAL  16   9.164   5.362  -1.478
  440   3HG1  VAL  16          3HG1      VAL  16  10.429   5.787  -2.638
  441   1HG2  VAL  16          1HG2      VAL  16   7.028   8.254  -1.894
  442   2HG2  VAL  16          2HG2      VAL  16   7.160   6.578  -1.354
  443   3HG2  VAL  16          3HG2      VAL  16   8.108   7.858  -0.565
  444    H    GLU  17           H        GLU  17   9.928   8.520  -5.385
  445    HA   GLU  17           HA       GLU  17  12.609   7.211  -5.308
  446   2HB   GLU  17          2HB       GLU  17  12.547   7.302  -7.772
  447   2HG   GLU  17          2HG       GLU  17  10.563   5.885  -8.209
  448    H    ASN  18           H        ASN  18  11.662  10.321  -4.750
  449    HA   ASN  18           HA       ASN  18  13.974  11.559  -6.099
  450   2HB   ASN  18          2HB       ASN  18  11.733  13.105  -4.794
  451   1HD2  ASN  18          1HD2      ASN  18  12.966  12.510  -8.077
  452   2HD2  ASN  18          2HD2      ASN  18  13.560  14.148  -8.334
  453    H    GLU  19           H        GLU  19  12.828  10.560  -2.987
  454    HA   GLU  19           HA       GLU  19  14.397  12.600  -1.538
  455   2HB   GLU  19          2HB       GLU  19  13.234  11.492   0.461
  456   2HG   GLU  19          2HG       GLU  19  10.914  12.267  -0.161
  457    H    ASP  20           H        ASP  20  14.025   9.302  -0.404
  458    HA   ASP  20           HA       ASP  20  16.932   8.818  -0.645
  459   2HB   ASP  20          2HB       ASP  20  16.822   7.911   1.773
  460    H    LYS  21           H        LYS  21  16.372   7.401  -2.232
  461    HA   LYS  21           HA       LYS  21  14.957   4.918  -1.878
  462   2HB   LYS  21          2HB       LYS  21  16.364   4.034  -3.624
  463   2HG   LYS  21          2HG       LYS  21  16.007   6.941  -4.407
  464   2HD   LYS  21          2HD       LYS  21  15.321   4.363  -5.879
  465   2HE   LYS  21          2HE       LYS  21  16.014   7.094  -7.031
  466   1HZ   LYS  21          1HZ       LYS  21  14.786   6.242  -8.895
  467   2HZ   LYS  21          2HZ       LYS  21  14.255   4.938  -8.061
  468   3HZ   LYS  21          3HZ       LYS  21  15.846   5.067  -8.488
  469    H    ARG  22           H        ARG  22  17.860   6.019  -0.470
  470    HA   ARG  22           HA       ARG  22  18.917   3.488   0.574
  471   2HB   ARG  22          2HB       ARG  22  20.374   4.901   1.912
  472   2HG   ARG  22          2HG       ARG  22  20.762   4.728  -0.678
  473   2HD   ARG  22          2HD       ARG  22  19.387   6.686  -1.396
  474    HE   ARG  22           HE       ARG  22  19.523   8.447   0.215
  475   1HH1  ARG  22          1HH1      ARG  22  22.778   7.849  -0.966
  476   2HH1  ARG  22          2HH1      ARG  22  23.353   9.339  -0.256
  477   1HH2  ARG  22          1HH2      ARG  22  20.260  10.174   1.033
  478   2HH2  ARG  22          2HH2      ARG  22  21.952  10.663   0.878
  479    H    LYS  23           H        LYS  23  16.401   5.615   1.547
  480    HA   LYS  23           HA       LYS  23  15.894   4.194   4.117
  481   2HB   LYS  23          2HB       LYS  23  15.691   6.320   5.363
  482   2HG   LYS  23          2HG       LYS  23  18.500   6.040   4.205
  483   2HD   LYS  23          2HD       LYS  23  19.182   6.818   6.462
  484   2HE   LYS  23          2HE       LYS  23  17.388   8.788   4.979
  485   1HZ   LYS  23          1HZ       LYS  23  18.161   9.598   7.137
  486   2HZ   LYS  23          2HZ       LYS  23  18.900  10.418   5.933
  487   3HZ   LYS  23          3HZ       LYS  23  19.716   9.268   6.757
  488    HA   PRO  24           HA       PRO  24  12.325   5.304   1.360
  489   2HB   PRO  24          2HB       PRO  24  12.417   3.179   0.429
  490   2HG   PRO  24          2HG       PRO  24  13.011   1.271   1.753
  491   2HD   PRO  24          2HD       PRO  24  14.772   2.760   1.897
  492    H    TYR  25           H        TYR  25  10.050   5.536   1.680
  493    HA   TYR  25           HA       TYR  25   9.120   5.954   4.450
  494   2HB   TYR  25          2HB       TYR  25   7.104   6.857   3.367
  495    HD1  TYR  25           HD1      TYR  25   9.813   7.597   0.894
  496    HD2  TYR  25           HD2      TYR  25   7.650   8.902   4.389
  497    HE1  TYR  25           HE1      TYR  25  10.822   9.847   0.656
  498    HE2  TYR  25           HE2      TYR  25   8.757  11.121   4.237
  499    HH   TYR  25           HH       TYR  25  11.045  11.950   1.648
  500    H    SER  26           H        SER  26   6.407   5.257   4.191
  501    HA   SER  26           HA       SER  26   6.071   2.492   3.341
  502   2HB   SER  26          2HB       SER  26   5.275   1.752   5.616
  503    HG   SER  26           HG       SER  26   7.803   2.283   4.740
  504    H    ASP  27           H        ASP  27   3.627   1.849   3.972
  505    HA   ASP  27           HA       ASP  27   2.193   3.825   2.511
  506   2HB   ASP  27          2HB       ASP  27   1.638   1.616   2.131
  507    H    GLN  28           H        GLN  28   2.260   3.405   6.057
  508    HA   GLN  28           HA       GLN  28   0.264   5.454   6.549
  509   2HB   GLN  28          2HB       GLN  28   2.565   4.315   8.163
  510   2HG   GLN  28          2HG       GLN  28   2.270   6.584   8.976
  511   1HE2  GLN  28          1HE2      GLN  28   0.657   7.974   7.824
  512   2HE2  GLN  28          2HE2      GLN  28  -0.966   8.096   8.493
  513    H    GLU  29           H        GLU  29   3.892   5.566   6.181
  514    HA   GLU  29           HA       GLU  29   4.042   8.320   6.841
  515   2HB   GLU  29          2HB       GLU  29   6.316   8.109   5.927
  516   2HG   GLU  29          2HG       GLU  29   5.602   5.658   7.575
  517    H    ILE  30           H        ILE  30   4.028   6.789   3.581
  518    HA   ILE  30           HA       ILE  30   4.023   9.317   2.181
  519    HB   ILE  30           HB       ILE  30   3.362   8.180   0.216
  520   2HG1  ILE  30          2HG1      ILE  30   1.673   6.678   0.936
  521   1HG2  ILE  30          1HG2      ILE  30   5.285   6.787  -0.026
  522   2HG2  ILE  30          2HG2      ILE  30   5.715   8.070   1.109
  523   3HG2  ILE  30          3HG2      ILE  30   5.334   6.432   1.712
  524   1HD1  ILE  30          1HD1      ILE  30   2.995   5.831  -1.035
  525   2HD1  ILE  30          2HD1      ILE  30   3.946   4.835   0.094
  526   3HD1  ILE  30          3HD1      ILE  30   2.214   4.554  -0.088
  527    H    ALA  31           H        ALA  31   1.346   7.494   3.639
  528    HA   ALA  31           HA       ALA  31  -0.734   9.084   2.336
  529   1HB   ALA  31          1HB       ALA  31  -1.349   6.991   3.385
  530   2HB   ALA  31          2HB       ALA  31  -0.669   7.489   4.943
  531   3HB   ALA  31          3HB       ALA  31  -2.125   8.277   4.304
  532    H    ASN  32           H        ASN  32   1.252   9.526   5.222
  533    HA   ASN  32           HA       ASN  32  -0.240  11.706   6.353
  534   2HB   ASN  32          2HB       ASN  32   2.653  10.857   6.743
  535   1HD2  ASN  32          1HD2      ASN  32   3.739  12.538   7.778
  536   2HD2  ASN  32          2HD2      ASN  32   2.984  13.559   8.997
  537    H    ILE  33           H        ILE  33   2.833  11.742   4.488
  538    HA   ILE  33           HA       ILE  33   3.086  14.605   4.492
  539    HB   ILE  33           HB       ILE  33   4.092  12.750   2.334
  540   2HG1  ILE  33          2HG1      ILE  33   4.758  12.619   5.132
  541   1HG2  ILE  33          1HG2      ILE  33   4.401  15.006   1.681
  542   2HG2  ILE  33          2HG2      ILE  33   5.091  15.461   3.253
  543   3HG2  ILE  33          3HG2      ILE  33   5.974  14.373   2.148
  544   1HD1  ILE  33          1HD1      ILE  33   6.146  10.852   4.423
  545   2HD1  ILE  33          2HD1      ILE  33   4.825  10.929   3.236
  546   3HD1  ILE  33          3HD1      ILE  33   6.408  11.593   2.806
  547    H    LEU  34           H        LEU  34   1.317  12.458   2.360
  548    HA   LEU  34           HA       LEU  34   0.631  14.338   0.270
  549   2HB   LEU  34          2HB       LEU  34  -1.328  12.533   0.149
  550    HG   LEU  34           HG       LEU  34   0.117  12.452  -1.662
  551   1HD1  LEU  34          1HD1      LEU  34   2.212  13.229  -0.764
  552   2HD1  LEU  34          2HD1      LEU  34   2.420  11.740   0.184
  553   3HD1  LEU  34          3HD1      LEU  34   2.489  11.696  -1.594
  554   1HD2  LEU  34          1HD2      LEU  34   0.699  10.118  -1.951
  555   2HD2  LEU  34          2HD2      LEU  34   0.659   9.843  -0.199
  556   3HD2  LEU  34          3HD2      LEU  34  -0.834  10.243  -1.068
  557    H    LYS  35           H        LYS  35  -0.469  14.007   3.497
  558    HA   LYS  35           HA       LYS  35  -2.999  15.495   2.975
  559   2HB   LYS  35          2HB       LYS  35  -2.373  13.607   4.835
  560   2HG   LYS  35          2HG       LYS  35  -2.525  16.155   6.496
  561   2HD   LYS  35          2HD       LYS  35  -1.552  14.669   8.245
  562   2HE   LYS  35          2HE       LYS  35  -4.080  13.528   6.973
  563   1HZ   LYS  35          1HZ       LYS  35  -3.141  13.482   9.790
  564   2HZ   LYS  35          2HZ       LYS  35  -3.182  12.185   8.801
  565   3HZ   LYS  35          3HZ       LYS  35  -4.572  12.903   9.265
  566    H    GLU  36           H        GLU  36   0.254  16.309   3.413
  567    HA   GLU  36           HA       GLU  36  -0.292  18.889   4.773
  568   2HB   GLU  36          2HB       GLU  36   2.113  19.176   4.777
  569   2HG   GLU  36          2HG       GLU  36   1.545  16.300   5.580
  570    H    LYS  37           H        LYS  37  -0.193  17.693   1.548
  571    HA   LYS  37           HA       LYS  37   0.277  20.478   0.508
  572   2HB   LYS  37          2HB       LYS  37   2.246  19.180   0.208
  573   2HG   LYS  37          2HG       LYS  37   0.564  17.284  -1.463
  574   2HD   LYS  37          2HD       LYS  37   3.066  17.767  -2.067
  575   2HE   LYS  37          2HE       LYS  37   3.449  15.930   0.315
  576   1HZ   LYS  37          1HZ       LYS  37   5.389  17.587  -1.208
  577   2HZ   LYS  37          2HZ       LYS  37   5.774  16.602   0.033
  578   3HZ   LYS  37          3HZ       LYS  37   5.219  15.971  -1.370
  579    HN2  GLY  38           HN2      GLY  38  -1.815  17.583   0.049
  580   1HA   GLY  38          1HA       GLY  38  -3.921  19.275   0.049
  581   2HA   GLY  38          2HA       GLY  38  -3.523  19.295  -1.667
  582    H    PHE  39           H        PHE  39  -2.828  16.161  -0.447
  583    HA   PHE  39           HA       PHE  39  -5.053  15.267  -2.094
  584   2HB   PHE  39          2HB       PHE  39  -3.851  13.153  -2.135
  585    HD1  PHE  39           HD2      PHE  39  -3.910  14.690  -4.305
  586    HD2  PHE  39           HD1      PHE  39  -0.715  14.709  -1.382
  587    HE1  PHE  39           HE2      PHE  39  -2.435  15.751  -5.940
  588    HE2  PHE  39           HE1      PHE  39   0.772  15.762  -3.057
  589    HZ   PHE  39           HZ       PHE  39  -0.071  16.327  -5.325
  590    H    LYS  40           H        LYS  40  -4.034  15.202   1.167
  591    HA   LYS  40           HA       LYS  40  -4.478  13.762   2.969
  592   2HB   LYS  40          2HB       LYS  40  -5.416  15.790   3.607
  593   2HG   LYS  40          2HG       LYS  40  -7.552  15.247   1.577
  594   2HD   LYS  40          2HD       LYS  40  -8.874  17.132   2.693
  595   2HE   LYS  40          2HE       LYS  40  -8.631  14.401   4.022
  596   1HZ   LYS  40          1HZ       LYS  40 -10.854  14.893   4.881
  597   2HZ   LYS  40          2HZ       LYS  40 -10.770  16.440   4.361
  598   3HZ   LYS  40          3HZ       LYS  40  -9.762  15.922   5.543
  599    H    VAL  41           H        VAL  41  -4.391  12.168   1.238
  600    HA   VAL  41           HA       VAL  41  -6.674  10.227   1.327
  601    HB   VAL  41           HB       VAL  41  -5.681  10.327  -0.852
  602   1HG1  VAL  41          1HG1      VAL  41  -3.001   9.759   0.500
  603   2HG1  VAL  41          2HG1      VAL  41  -3.296   9.779  -1.242
  604   3HG1  VAL  41          3HG1      VAL  41  -3.482  11.263  -0.323
  605   1HG2  VAL  41          1HG2      VAL  41  -4.735   7.982  -1.140
  606   2HG2  VAL  41          2HG2      VAL  41  -4.716   7.805   0.582
  607   3HG2  VAL  41          3HG2      VAL  41  -6.263   8.045  -0.259
  608    H    ALA  42           H        ALA  42  -6.522   8.337   2.459
  609    HA   ALA  42           HA       ALA  42  -4.734   8.102   4.774
  610   1HB   ALA  42          1HB       ALA  42  -6.399   6.578   5.600
  611   2HB   ALA  42          2HB       ALA  42  -7.263   7.984   4.952
  612   3HB   ALA  42          3HB       ALA  42  -7.168   6.472   4.009
  613    H    ARG  43           H        ARG  43  -4.292   5.910   5.397
  614    HA   ARG  43           HA       ARG  43  -2.287   4.895   3.666
  615   2HB   ARG  43          2HB       ARG  43  -3.394   4.001   6.354
  616   2HG   ARG  43          2HG       ARG  43  -0.917   2.984   6.400
  617   2HD   ARG  43          2HD       ARG  43  -3.461   1.646   5.445
  618    HE   ARG  43           HE       ARG  43  -0.791   0.532   5.301
  619   1HH1  ARG  43          1HH1      ARG  43  -3.962  -0.447   6.302
  620   2HH1  ARG  43          2HH1      ARG  43  -3.708  -2.105   5.848
  621   1HH2  ARG  43          1HH2      ARG  43  -0.635  -1.370   4.385
  622   2HH2  ARG  43          2HH2      ARG  43  -1.870  -2.626   4.610
  623    H    ARG  44           H        ARG  44  -5.573   3.849   3.891
  624    HA   ARG  44           HA       ARG  44  -4.955   1.074   3.037
  625   2HB   ARG  44          2HB       ARG  44  -7.738   1.904   2.528
  626   2HG   ARG  44          2HG       ARG  44  -8.153   0.220   4.376
  627   2HD   ARG  44          2HD       ARG  44  -8.129  -0.451   1.962
  628    HE   ARG  44           HE       ARG  44  -5.901  -0.502   1.185
  629   1HH1  ARG  44          1HH1      ARG  44  -6.097  -2.795   3.846
  630   2HH1  ARG  44          2HH1      ARG  44  -4.488  -3.398   3.489
  631   1HH2  ARG  44          1HH2      ARG  44  -4.004  -1.467   0.734
  632   2HH2  ARG  44          2HH2      ARG  44  -3.385  -2.709   1.792
  633    H    THR  45           H        THR  45  -5.835   4.134   1.472
  634    HA   THR  45           HA       THR  45  -6.409   3.028  -1.116
  635    HB   THR  45           HB       THR  45  -5.659   5.852  -0.285
  636    HG1  THR  45           HG1      THR  45  -7.477   6.111   0.740
  637   1HG2  THR  45          1HG2      THR  45  -7.680   4.793  -2.290
  638   2HG2  THR  45          2HG2      THR  45  -7.238   6.499  -2.027
  639   3HG2  THR  45          3HG2      THR  45  -6.047   5.373  -2.696
  640    H    VAL  46           H        VAL  46  -3.854   4.865   0.524
  641    HA   VAL  46           HA       VAL  46  -2.290   5.131  -1.742
  642    HB   VAL  46           HB       VAL  46  -2.312   6.312   0.638
  643   1HG1  VAL  46          1HG1      VAL  46   0.148   4.529   0.868
  644   2HG1  VAL  46          2HG1      VAL  46  -0.289   5.892   1.889
  645   3HG1  VAL  46          3HG1      VAL  46  -1.308   4.439   1.869
  646   1HG2  VAL  46          1HG2      VAL  46  -1.176   7.122  -1.450
  647   2HG2  VAL  46          2HG2      VAL  46  -0.289   7.480   0.034
  648   3HG2  VAL  46          3HG2      VAL  46   0.230   6.130  -1.004
  649    H    ALA  47           H        ALA  47  -2.528   2.563   0.626
  650    HA   ALA  47           HA       ALA  47  -0.128   1.137   0.117
  651   1HB   ALA  47          1HB       ALA  47  -2.813   0.392   1.356
  652   2HB   ALA  47          2HB       ALA  47  -1.422  -0.701   1.334
  653   3HB   ALA  47          3HB       ALA  47  -1.326   0.832   2.204
  654    H    LYS  48           H        LYS  48  -3.467   0.894  -1.072
  655    HA   LYS  48           HA       LYS  48  -2.984  -1.381  -2.819
  656   2HB   LYS  48          2HB       LYS  48  -5.211  -0.465  -3.866
  657   2HG   LYS  48          2HG       LYS  48  -5.266  -1.262  -0.927
  658   2HD   LYS  48          2HD       LYS  48  -7.159  -2.721  -1.755
  659   2HE   LYS  48          2HE       LYS  48  -7.587   0.277  -2.108
  660   1HZ   LYS  48          1HZ       LYS  48  -9.480  -0.978  -2.887
  661   2HZ   LYS  48          2HZ       LYS  48  -9.469  -1.958  -1.580
  662   3HZ   LYS  48          3HZ       LYS  48  -9.875  -0.394  -1.406
  663    H    TYR  49           H        TYR  49  -2.533   2.049  -3.151
  664    HA   TYR  49           HA       TYR  49  -2.316   1.986  -6.039
  665   2HB   TYR  49          2HB       TYR  49  -1.223   4.321  -5.535
  666    HD1  TYR  49           HD1      TYR  49  -4.471   2.589  -4.659
  667    HD2  TYR  49           HD2      TYR  49  -2.536   5.960  -6.500
  668    HE1  TYR  49           HE1      TYR  49  -6.647   3.301  -5.626
  669    HE2  TYR  49           HE2      TYR  49  -4.726   6.642  -7.539
  670    HH   TYR  49           HH       TYR  49  -7.685   5.223  -6.505
  671    H    ARG  50           H        ARG  50   0.222   2.176  -3.471
  672    HA   ARG  50           HA       ARG  50   2.431   2.023  -5.316
  673   2HB   ARG  50          2HB       ARG  50   2.932   2.469  -3.011
  674   2HG   ARG  50          2HG       ARG  50   1.779  -0.276  -2.449
  675   2HD   ARG  50          2HD       ARG  50   3.588   1.424  -0.686
  676    HE   ARG  50           HE       ARG  50   2.353   0.463   1.025
  677   1HH1  ARG  50          1HH1      ARG  50   2.852  -2.181  -1.224
  678   2HH1  ARG  50          2HH1      ARG  50   1.536  -3.090  -0.478
  679   1HH2  ARG  50          1HH2      ARG  50   0.947  -1.005   2.066
  680   2HH2  ARG  50          2HH2      ARG  50   0.652  -2.516   1.190
  681    H    GLU  51           H        GLU  51   0.141  -0.388  -4.417
  682    HA   GLU  51           HA       GLU  51   1.651  -2.651  -5.577
  683   2HB   GLU  51          2HB       GLU  51  -0.868  -3.639  -5.225
  684   2HG   GLU  51          2HG       GLU  51  -0.187  -4.120  -2.818
  685    H    MET  52           H        MET  52  -0.649  -0.322  -6.837
  686    HA   MET  52           HA       MET  52  -1.125  -2.012  -9.247
  687   2HB   MET  52          2HB       MET  52  -3.004  -0.743  -8.049
  688   2HG   MET  52          2HG       MET  52  -2.029   1.515  -9.849
  689   1HE   MET  52          1HE       MET  52  -5.864   1.892 -10.349
  690   2HE   MET  52          2HE       MET  52  -4.267   1.857 -11.119
  691   3HE   MET  52          3HE       MET  52  -4.940   0.378 -10.388
  692    H    LEU  53           H        LEU  53   0.702   0.819  -8.249
  693    HA   LEU  53           HA       LEU  53   1.585   1.556 -10.931
  694   2HB   LEU  53          2HB       LEU  53   3.363   2.761  -9.510
  695    HG   LEU  53           HG       LEU  53   0.924   3.617 -10.404
  696   1HD1  LEU  53          1HD1      LEU  53   0.831   3.859  -7.380
  697   2HD1  LEU  53          2HD1      LEU  53  -0.021   4.981  -8.405
  698   3HD1  LEU  53          3HD1      LEU  53  -0.417   3.265  -8.484
  699   1HD2  LEU  53          1HD2      LEU  53   1.722   5.854  -9.880
  700   2HD2  LEU  53          2HD2      LEU  53   2.785   5.199  -8.615
  701   3HD2  LEU  53          3HD2      LEU  53   3.070   4.836 -10.340
  702    HN2  GLY  54           HN2      GLY  54   3.676   0.429  -8.248
  703   1HA   GLY  54          1HA       GLY  54   4.597  -1.961  -9.534
  704   2HA   GLY  54          2HA       GLY  54   5.648  -0.646 -10.037
  705    H    ILE  55           H        ILE  55   4.527  -0.427  -6.729
  706    HA   ILE  55           HA       ILE  55   7.266  -1.138  -5.797
  707    HB   ILE  55           HB       ILE  55   5.337   1.008  -4.996
  708   2HG1  ILE  55          2HG1      ILE  55   7.258   1.099  -6.875
  709   1HG2  ILE  55          1HG2      ILE  55   7.780   0.033  -3.456
  710   2HG2  ILE  55          2HG2      ILE  55   6.983   1.594  -3.172
  711   3HG2  ILE  55          3HG2      ILE  55   6.107   0.102  -2.857
  712   1HD1  ILE  55          1HD1      ILE  55   6.883   3.302  -4.812
  713   2HD1  ILE  55          2HD1      ILE  55   7.535   3.484  -6.454
  714   3HD1  ILE  55          3HD1      ILE  55   5.841   2.994  -6.227
  715    HA   PRO  56           HA       PRO  56   5.178  -4.240  -3.222
  716   2HB   PRO  56          2HB       PRO  56   6.928  -5.619  -3.654
  717   2HG   PRO  56          2HG       PRO  56   9.083  -4.786  -4.083
  718   2HD   PRO  56          2HD       PRO  56   7.976  -3.244  -5.447
  719    H    SER  57           H        SER  57   7.901  -2.841  -1.508
  720    HA   SER  57           HA       SER  57   6.203  -1.198   0.313
  721   2HB   SER  57          2HB       SER  57   6.703  -3.381   1.436
  722    HG   SER  57           HG       SER  57   8.787  -3.931   1.845
  723    H    SER  58           H        SER  58   8.753  -1.376  -1.693
  724    HA   SER  58           HA       SER  58  10.747  -0.472  -2.149
  725   2HB   SER  58          2HB       SER  58  11.277   1.882  -1.336
  726    HG   SER  58           HG       SER  58   9.505   2.679  -2.672
  727    H    ARG  59           H        ARG  59  10.243  -1.732   0.828
  728    HA   ARG  59           HA       ARG  59  12.847  -0.949   2.053
  729   2HB   ARG  59          2HB       ARG  59  12.121  -2.530   3.860
  730   2HG   ARG  59          2HG       ARG  59  10.149  -0.315   3.132
  731   2HD   ARG  59          2HD       ARG  59  10.704  -1.718   5.782
  732    HE   ARG  59           HE       ARG  59   8.720   0.456   5.603
  733   1HH1  ARG  59          1HH1      ARG  59  12.032  -0.205   6.550
  734   2HH1  ARG  59          2HH1      ARG  59  12.115   1.252   7.511
  735   1HH2  ARG  59          1HH2      ARG  59   8.883   2.206   6.828
  736   2HH2  ARG  59          2HH2      ARG  59  10.358   2.585   7.677
  737    H    GLU  60           H        GLU  60  11.240  -3.650   0.520
  738    HA   GLU  60           HA       GLU  60  13.629  -5.319   0.509
  739   2HB   GLU  60          2HB       GLU  60  11.768  -6.641   0.515
  740   2HG   GLU  60          2HG       GLU  60  10.485  -4.887  -1.615
  741    H    ARG  61           H        ARG  61  12.422  -2.800  -1.545
  742    HA   ARG  61           HA       ARG  61  14.295  -3.280  -3.761
  743   2HB   ARG  61          2HB       ARG  61  13.705  -0.959  -4.417
  744   2HG   ARG  61          2HG       ARG  61  11.300  -2.714  -3.732
  745   2HD   ARG  61          2HD       ARG  61  10.543  -0.459  -4.296
  746    HE   ARG  61           HE       ARG  61  12.087  -0.746  -6.864
  747   1HH1  ARG  61          1HH1      ARG  61  10.830   1.466  -4.389
  748   2HH1  ARG  61          2HH1      ARG  61  11.497   2.839  -5.246
  749   1HH2  ARG  61          1HH2      ARG  61  12.845   1.077  -7.828
  750   2HH2  ARG  61          2HH2      ARG  61  12.541   2.643  -7.104
  751    H    ARG  62           H        ARG  62  14.285  -1.196  -0.838
  752    HA   ARG  62           HA       ARG  62  16.765   0.136  -1.312
  753   2HB   ARG  62          2HB       ARG  62  14.992  -0.393   1.083
  754   2HG   ARG  62          2HG       ARG  62  16.620   1.939   1.491
  755   2HD   ARG  62          2HD       ARG  62  16.477  -0.729   2.922
  756    HE   ARG  62           HE       ARG  62  17.824   1.789   3.622
  757   1HH1  ARG  62          1HH1      ARG  62  16.312  -0.979   5.139
  758   2HH1  ARG  62          2HH1      ARG  62  17.172  -0.725   6.641
  759   1HH2  ARG  62          1HH2      ARG  62  18.875   2.043   5.499
  760   2HH2  ARG  62          2HH2      ARG  62  18.590   0.952   6.836
  761    H    ILE  63           H        ILE  63  16.039  -2.532   0.912
  762    HA   ILE  63           HA       ILE  63  18.579  -2.718   2.041
  763    HB   ILE  63           HB       ILE  63  16.409  -3.668   2.905
  764   2HG1  ILE  63          2HG1      ILE  63  18.863  -5.466   3.097
  765   1HG2  ILE  63          1HG2      ILE  63  17.139  -6.152   1.305
  766   2HG2  ILE  63          2HG2      ILE  63  15.733  -5.905   2.358
  767   3HG2  ILE  63          3HG2      ILE  63  15.873  -5.007   0.835
  768   1HD1  ILE  63          1HD1      ILE  63  19.325  -3.213   4.012
  769   2HD1  ILE  63          2HD1      ILE  63  17.791  -3.252   4.912
  770   3HD1  ILE  63          3HD1      ILE  63  19.104  -4.370   5.333