*HEADER    ISOMERASE                               08-DEC-08   2KBU              
*TITLE     NMR SOLUTION STRUCTURE OF PIN1 WW DOMAIN MUTANT WITH BETA             
*TITLE    2 TURN MIMIC AT POSITION 12                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-                  
*COMPND   3 INTERACTING 1;                                                       
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: UNP RESIDUES 6-39;                                         
*COMPND   6 SYNONYM: ROTAMASE PIN1, PPIASE PIN1;                                 
*COMPND   7 EC: 5.2.1.8;                                                         
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES;                                                       
*COMPND  10 OTHER_DETAILS: RESIDUES RSSG REPLACED BY THE BETA-TURN               
*COMPND  11 MIMIC CFD                                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: RESIDUES RSSG REPLACED BY THE BETA-TURN               
*SOURCE   4 MIMIC CFD                                                            
*KEYWDS    BETA SHEET NUCLEATOR, BETA TURN MIMIC, CELL CYCLE,                    
*KEYWDS   2 ISOMERASE, NUCLEUS, PHOSPHOPROTEIN, ROTAMASE                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    A.A.FULLER, G.BHABHA, D.A.CASE                                        
*REVDAT   2   15-NOV-23 2KBU    1                                                
*REVDAT   1   07-JUL-09 2KBU    0                                                


#
#   5 GLY H         4 PRO HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 73, 69, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
      rk2= 20.0, rk3= 20.0, ir6= 1, ialtd= 0, 
 &end
#
#   5 GLY H         4 PRO HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 66, 67, 
 &end
#
#   5 GLY H         4 PRO HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 66, 67, 
 &end
#
#   5 GLY H         5 GLY HA-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 75, 76, 
 &end
#
#   5 GLY H         5 GLY HA+        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 75, 76, 
 &end
#
#   6 TRP H         5 GLY HA-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 75, 76, 
 &end
#
#  19 HIS H         5 GLY HA+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 75, 76, 
 &end
#
#   7 GLU H         6 TRP HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 82, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#   6 TRP HE3       6 TRP HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 84, 85, 
 &end
#
#   6 TRP H         6 TRP HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 80, 82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#   7 GLU H         6 TRP HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 84, 85, 
 &end
#
#  19 HIS H         6 TRP HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 82, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#   7 GLU H         7 GLU HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   7 GLU H         7 GLU HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 108, 109, 
 &end
#
#   8 LYS H         7 GLU HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#   8 LYS H         7 GLU QG         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 111, 112, 
 &end
#
#   8 LYS H         7 GLU HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 108, 109, 
 &end
#
#   8 LYS H         7 GLU HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 108, 109, 
 &end
#
#   9 ARG H         9 ARG HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#   9 ARG H         9 ARG HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 145, 146, 
 &end
#
#   9 ARG H         9 ARG QG         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 148, 149, 
 &end
#
#   9 ARG H         9 ARG HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 145, 146, 
 &end
#
#  10 MET H         9 ARG HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 143, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  10 MET H         9 ARG HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 145, 146, 
 &end
#
#  10 MET H         9 ARG QG         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 148, 149, 
 &end
#
#  10 MET H         9 ARG HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 145, 146, 
 &end
#
#  15 TYR QD        9 ARG HB-        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 264, 273, 
 igr2= 145, 146, 
 &end
#
#  15 TYR QD        9 ARG HB+        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 264, 273, 
 igr2= 145, 146, 
 &end
#
#  17 PHE QE        9 ARG QG         6.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, 
 igr1= 308, 312, 
 igr2= 148, 149, 
 &end
#
#  10 MET H        10 MET HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  10 MET H        10 MET HG-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 172, 173, 
 &end
#
#  10 MET H        10 MET HG+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 172, 173, 
 &end
#
#  10 MET H        10 MET HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 169, 170, 
 &end
#
#  11 SER H        10 MET HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 167, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  11 SER H        10 MET HB+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 169, 170, 
 &end
#
#  11 SER H        10 MET HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 169, 170, 
 &end
#
#  15 TYR H        10 MET HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  11 SER H        11 SER HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  12 CFA H        11 SER HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 184, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  15 TYR QD       11 SER HB-        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 264, 273, 
 igr2= 186, 187, 
 &end
#
#  15 TYR QD       11 SER HB+        3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr1= 264, 273, 
 igr2= 186, 187, 
 &end
#
#  11 SER H        12 CFA HG1        6.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 206, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
#  12 CFA H        12 CFA QG2        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 202, 203, 204, 
 &end
#
#  12 CFA H        12 CFA QB2        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 197, 198, 199, 
 &end
#
#  13 ARG H        12 CFA HG1        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  13 ARG H        12 CFA HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 195, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  13 ARG H        12 CFA HD         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 208, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  13 ARG H        12 CFA QG2        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 202, 203, 204, 
 &end
#
#  13 ARG H        12 CFA QE2        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 210, 211, 212, 
 &end
#
#  11 SER H        13 ARG QB         6.73    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, 
 igr2= 220, 221, 
 &end
#
#  13 ARG H        13 ARG HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  13 ARG H        13 ARG HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 220, 221, 
 &end
#
#  14 VAL H        13 ARG HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 218, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  14 VAL H        13 ARG HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 220, 221, 
 &end
#
#  14 VAL H        13 ARG QG         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 223, 224, 
 &end
#
#  26 PHE QD       13 ARG HB-        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 443, 451, 
 igr2= 220, 221, 
 &end
#
#  26 PHE QD       13 ARG HB+        6.73    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, 
 igr1= 443, 451, 
 igr2= 220, 221, 
 &end
#
#  26 PHE QD       13 ARG QG         6.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, 
 igr1= 443, 451, 
 igr2= 223, 224, 
 &end
#
#  26 PHE QE       13 ARG HB-        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 445, 449, 
 igr2= 220, 221, 
 &end
#
#  26 PHE QE       13 ARG HB+        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 445, 449, 
 igr2= 220, 221, 
 &end
#
#  26 PHE QE       13 ARG QG         6.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, 
 igr1= 445, 449, 
 igr2= 223, 224, 
 &end
#
#   9 ARG H        14 VAL QQG        6.74    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, 
 igr2= 246, 247, 248, 250, 251, 252, 
 &end
#
#  14 VAL H        14 VAL HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  14 VAL H        14 VAL HB         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  14 VAL H        14 VAL QQG        3.24    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, 
 igr2= 246, 247, 248, 250, 251, 252, 
 &end
#
#  14 VAL H        14 VAL QQG        4.20    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 246, 247, 248, 250, 251, 252, 
 &end
#
#  15 TYR H        14 VAL HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 242, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  15 TYR H        14 VAL QQG        4.20    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 246, 247, 248, 250, 251, 252, 
 &end
#
#  15 TYR H        14 VAL QQG        3.24    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, 
 igr2= 246, 247, 248, 250, 251, 252, 
 &end
#
#  15 TYR H        15 TYR HA         5.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
#  15 TYR H        15 TYR HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 260, 261, 
 &end
#
#  15 TYR H        15 TYR HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 260, 261, 
 &end
#
#  15 TYR QD       15 TYR HB-        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 264, 273, 
 igr2= 260, 261, 
 &end
#
#  15 TYR QD       15 TYR HB+        3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr1= 264, 273, 
 igr2= 260, 261, 
 &end
#
#  16 TYR H        15 TYR HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  16 TYR H        15 TYR HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 260, 261, 
 &end
#
#  16 TYR H        15 TYR HB+        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 260, 261, 
 &end
#
#  26 PHE QD       15 TYR HB-        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 443, 451, 
 igr2= 260, 261, 
 &end
#
#  26 PHE QD       15 TYR HB+        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 443, 451, 
 igr2= 260, 261, 
 &end
#
#  26 PHE QE       15 TYR HB-        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 445, 449, 
 igr2= 260, 261, 
 &end
#
#   9 ARG H        16 TYR HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  15 TYR QD       16 TYR QB         6.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, 
 igr1= 264, 273, 
 igr2= 281, 282, 
 &end
#
#  16 TYR H        16 TYR HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  16 TYR H        16 TYR QB         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 281, 282, 
 &end
#
#  16 TYR QE       16 TYR HB-        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 287, 292, 
 igr2= 281, 282, 
 &end
#
#  16 TYR QE       16 TYR HB+        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 287, 292, 
 igr2= 281, 282, 
 &end
#
#  17 PHE H        16 TYR HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 279, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  17 PHE H        16 TYR QB         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 281, 282, 
 &end
#
#   6 TRP HE3      17 PHE HA         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
#  17 PHE H        17 PHE HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  17 PHE H        17 PHE HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 302, 303, 
 &end
#
#  18 ASN H        17 PHE HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 300, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  18 ASN H        17 PHE HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 302, 303, 
 &end
#
#   6 TRP HZ2      18 ASN HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   6 TRP HE3      18 ASN HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 99, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   6 TRP HH2      18 ASN HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 95, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   6 TRP HZ3      18 ASN HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 97, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   7 GLU H        18 ASN HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  18 ASN H        18 ASN HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  18 ASN H        18 ASN HB3        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  19 HIS H        18 ASN HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 320, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  20 ILE H        18 ASN HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 320, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  21 THR QG2      18 ASN HB3        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr1= 375, 376, 377, 
 &end
#
#  21 THR QG2      18 ASN HB2        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr1= 375, 376, 377, 
 &end
#
#  22 ASN HA       18 ASN HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  23 ALA H        18 ASN HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  17 PHE HZ       19 HIS HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 334, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  17 PHE QE       19 HIS HB+        3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 308, 312, 
 igr2= 336, 337, 
 &end
#
#  17 PHE QE       19 HIS HB-        5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 308, 312, 
 igr2= 336, 337, 
 &end
#
#  19 HIS H        19 HIS HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 336, 337, 
 &end
#
#  20 ILE H        19 HIS HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  20 ILE H        19 HIS HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 336, 337, 
 &end
#
#  20 ILE H        20 ILE HB         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 354, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  20 ILE H        20 ILE HG1-       2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 360, 361, 
 &end
#
#  20 ILE H        20 ILE QG2        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr2= 356, 357, 358, 
 &end
#
#  21 THR H        20 ILE HB         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 354, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  21 THR H        20 ILE HG1-       5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 360, 361, 
 &end
#
#  21 THR H        20 ILE QG2        4.20    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 356, 357, 358, 
 &end
#
#  18 ASN HD2-     21 THR HB         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr1= 327, 328, 
 &end
#
#  21 THR H        21 THR QG2        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr2= 375, 376, 377, 
 &end
#
#  21 THR HG1      21 THR HB         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  21 THR HG1      21 THR QG         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 375, 376, 377, 
 &end
#
#  22 ASN H        21 THR HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  22 ASN H        21 THR QG2        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr2= 375, 376, 377, 
 &end
#
#  23 ALA H        21 THR QG2        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr2= 375, 376, 377, 
 &end
#
#  17 PHE HZ       22 ASN HB-        6.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, 
 igr2= 387, 388, 
 &end
#
#  22 ASN H        22 ASN HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 387, 388, 
 &end
#
#  22 ASN H        22 ASN HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 387, 388, 
 &end
#
#  22 ASN HD2-     22 ASN HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr1= 392, 393, 
 igr2= 387, 388, 
 &end
#
#  23 ALA H        22 ASN HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  23 ALA H        23 ALA HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  23 ALA H        23 ALA QB         3.24    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, 
 igr2= 401, 402, 403, 
 &end
#
#  24 SER H        23 ALA HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 399, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  24 SER H        23 ALA QB         4.20    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, 
 igr2= 401, 402, 403, 
 &end
#
#  15 TYR QD       24 SER QB         4.41    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, 
 igr1= 264, 273, 
 igr2= 411, 412, 
 &end
#
#  18 ASN H        24 SER HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  24 SER H        24 SER HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 411, 412, 
 &end
#
#  24 SER H        24 SER HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 411, 412, 
 &end
#
#  25 GLN H        24 SER HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 409, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  25 GLN H        24 SER HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 411, 412, 
 &end
#
#  25 GLN H        24 SER HB+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 411, 412, 
 &end
#
#   6 TRP HZ2      25 GLN QG         6.17    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, 
 igr2= 425, 426, 
 &end
#
#  16 TYR H        25 GLN QG         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 425, 426, 
 &end
#
#  25 GLN H        25 GLN HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  25 GLN H        25 GLN QG         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 425, 426, 
 &end
#
#  25 GLN H        25 GLN QB         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr2= 422, 423, 
 &end
#
#  26 PHE H        25 GLN QG         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 425, 426, 
 &end
#
#  26 PHE H        25 GLN QB         3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr2= 422, 423, 
 &end
#
#  26 PHE H        26 PHE HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  26 PHE H        26 PHE HB-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 439, 440, 
 &end
#
#  26 PHE H        26 PHE HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 439, 440, 
 &end
#
#  26 PHE QD       26 PHE HA         3.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, 
 igr1= 443, 451, 
 &end
#
#  26 PHE QD       26 PHE HB-        3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr1= 443, 451, 
 igr2= 439, 440, 
 &end
#
#  26 PHE QD       26 PHE HB+        3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr1= 443, 451, 
 igr2= 439, 440, 
 &end
#
#  27 GLU H        26 PHE HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  27 GLU H        26 PHE HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 439, 440, 
 &end
#
#  27 GLU H        26 PHE HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 439, 440, 
 &end
#
#  27 GLU H        27 GLU QG         3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr2= 462, 463, 
 &end
#
#  27 GLU H        27 GLU HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 459, 460, 
 &end
#
#  28 ARG H        27 GLU HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 457, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  28 ARG H        27 GLU QG         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 462, 463, 
 &end
#
#  28 ARG H        27 GLU HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 459, 460, 
 &end
#
#  28 ARG H        27 GLU HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 459, 460, 
 &end
#
#  16 TYR QE       28 ARG HA         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr1= 287, 292, 
 &end
#
#  16 TYR QE       28 ARG QB         4.41    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, 
 igr1= 287, 292, 
 igr2= 474, 475, 
 &end
#
#  28 ARG H        28 ARG HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  28 ARG H        28 ARG QB         3.03    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, 
 igr2= 474, 475, 
 &end
#
#   6 TRP HZ2      29 PRO HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, 504, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   6 TRP HZ2      29 PRO HD-        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 495, 496, 
 &end
#
#   6 TRP HZ2      29 PRO HD+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 495, 496, 
 &end
#
#   6 TRP HZ2      29 PRO HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 501, 502, 
 &end
#
#   6 TRP HZ2      29 PRO HB+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 501, 502, 
 &end
#
#   6 TRP HZ2      29 PRO HG-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 498, 499, 
 &end
#
#  16 TYR QE       29 PRO QB         6.93    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, 
 igr1= 287, 292, 
 igr2= 501, 502, 
 &end
#
#  30 SER H        29 PRO HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 504, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#  30 SER H        29 PRO HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 501, 502, 
 &end
#
#  30 SER H        29 PRO HB+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 501, 502, 
 &end
#
#  31 GLY H        29 PRO HB-        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 501, 502, 
 &end
#
#  31 GLY H        29 PRO HB+        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
 igr2= 501, 502, 
 &end
#
#  30 SER H        30 SER HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  30 SER H        30 SER HB-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 512, 513, 
 &end
#
#  30 SER H        30 SER HB+        3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, 
 igr2= 512, 513, 
 &end
#
#  31 GLY H        30 SER HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  19 HIS H         6 TRP HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 82, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   7 GLU H        17 PHE H          3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#  18 ASN H        24 SER HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  25 GLN H        16 TYR H          3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#   8 LYS HA       17 PHE H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  11 SER H        13 ARG H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  17 PHE H         7 GLU QB         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 298, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 108, 109, 
 &end
#
#  17 PHE QE        7 GLU QG         4.41    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, 
 igr1= 308, 312, 
 igr2= 111, 112, 
 &end
#
#  17 PHE QE        7 GLU QB         3.40    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, 
 igr1= 308, 312, 
 igr2= 108, 109, 
 &end
#
#   8 LYS H         8 LYS HA         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
#   8 LYS H         8 LYS HG-        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, 
 igr2= 126, 127, 
 &end
#
#   9 ARG H         8 LYS HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 121, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
#   9 ARG H         8 LYS HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#   9 ARG H         8 LYS HB3        5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
#   9 ARG H         8 LYS QG         5.61    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, 
 igr2= 126, 127, 
 &end
#
#  16 TYR QE        8 LYS QB         4.41    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, 
 igr1= 287, 292, 
 igr2= 123, 124, 
 &end
#
#  16 TYR QE        8 LYS QG         4.41    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, 
 igr1= 287, 292, 
 igr2= 126, 127, 
 &end
#
#  17 PHE H         8 LYS HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 121, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat= 5, 10, 8, 9, 
   r1= 10., r2= 60., r3= 80., r4= 130., rk2= 200.0, rk3= 200.0, &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat= 7, 13, 11, 12, &end
#
#  chirality for residue 1 atoms:  CD NZ HE2 HE3
 &rst iat= 13, 19, 17, 18, &end
#
#  chirality for residue 1 atoms:  CG CE HD2 HD3
 &rst iat= 10, 16, 14, 15, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat= 1, 23, 6, 7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat= 27, 32, 30, 31, &end
#
#  chirality for residue 2 atoms:  CB CD1 CD2 HG
 &rst iat= 29, 34, 38, 33, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat= 25, 42, 28, 29, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat= 54, 48, 52, 53, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat= 51, 45, 49, 50, &end
#
#  chirality for residue 3 atoms:  CG N HD2 HD3
 &rst iat= 48, 44, 46, 47, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat= 44, 56, 55, 51, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat= 68, 62, 66, 67, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat= 65, 59, 63, 64, &end
#
#  chirality for residue 4 atoms:  CG N HD2 HD3
 &rst iat= 62, 58, 60, 61, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat= 58, 70, 69, 65, &end
#
#  chirality for residue 5 atoms:  N C HA2 HA3
 &rst iat= 72, 77, 75, 76, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat= 81, 86, 84, 85, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat= 79, 101, 82, 83, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat= 105, 110, 108, 109, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat= 107, 113, 111, 112, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat= 103, 116, 106, 107, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat= 120, 125, 123, 124, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat= 122, 128, 126, 127, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat= 128, 134, 132, 133, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat= 125, 131, 129, 130, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat= 118, 138, 121, 122, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat= 142, 147, 145, 146, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat= 144, 150, 148, 149, &end
#
#  chirality for residue 9 atoms:  CG NE HD2 HD3
 &rst iat= 147, 153, 151, 152, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat= 140, 162, 143, 144, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat= 166, 171, 169, 170, &end
#
#  chirality for residue 10 atoms:  CB SD HG2 HG3
 &rst iat= 168, 174, 172, 173, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat= 164, 179, 167, 168, &end
#
#  chirality for residue 11 atoms:  CA OG HB2 HB3
 &rst iat= 183, 188, 186, 187, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat= 181, 190, 184, 185, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat= 217, 222, 220, 221, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat= 219, 225, 223, 224, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat= 222, 228, 226, 227, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat= 215, 237, 218, 219, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat= 241, 245, 249, 244, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat= 239, 253, 242, 243, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat= 257, 262, 260, 261, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat= 255, 274, 258, 259, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat= 278, 283, 281, 282, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat= 276, 295, 279, 280, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat= 299, 304, 302, 303, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat= 297, 315, 300, 301, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat= 319, 324, 322, 323, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat= 317, 329, 320, 321, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat= 333, 338, 336, 337, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat= 331, 347, 334, 335, &end
#
#  chirality for residue 20 atoms:  CA CG2 CG1 HB
 &rst iat= 351, 355, 359, 354, &end
#
#  chirality for residue 20 atoms:  CB CD1 HG12 HG13
 &rst iat= 353, 362, 360, 361, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat= 349, 366, 352, 353, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat= 370, 374, 378, 373, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat= 368, 380, 371, 372, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat= 384, 389, 387, 388, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat= 382, 394, 385, 386, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat= 396, 404, 399, 400, &end
#
#  chirality for residue 24 atoms:  CA OG HB2 HB3
 &rst iat= 408, 413, 411, 412, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat= 406, 415, 409, 410, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat= 419, 424, 422, 423, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat= 421, 427, 425, 426, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat= 417, 432, 420, 421, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat= 436, 441, 439, 440, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat= 434, 452, 437, 438, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat= 456, 461, 459, 460, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat= 458, 464, 462, 463, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat= 454, 467, 457, 458, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat= 471, 476, 474, 475, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat= 473, 479, 477, 478, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat= 476, 482, 480, 481, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat= 469, 491, 472, 473, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat= 503, 497, 501, 502, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat= 500, 494, 498, 499, &end
#
#  chirality for residue 29 atoms:  CG N HD2 HD3
 &rst iat= 497, 493, 495, 496, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat= 493, 505, 504, 500, &end
#
#  chirality for residue 30 atoms:  CA OG HB2 HB3
 &rst iat= 509, 514, 512, 513, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat= 507, 516, 510, 511, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat= 518, 523, 521, 522, &end
#
#  trans-omega constraint for residue 2
 &rst iat= 27, 25, 23, 5, 
   r1= 150., r2= 170., r3= 190., r4= 210., rk2= 200.0, rk3= 200.0, &end
#
#  trans-omega constraint for residue 3
 &rst iat= 54, 44, 42, 27, &end
#
#  trans-omega constraint for residue 4
 &rst iat= 68, 58, 56, 54, &end
#
#  trans-omega constraint for residue 5
 &rst iat= 74, 72, 70, 68, &end
#
#  trans-omega constraint for residue 6
 &rst iat= 81, 79, 77, 74, &end
#
#  trans-omega constraint for residue 7
 &rst iat= 105, 103, 101, 81, &end
#
#  trans-omega constraint for residue 8
 &rst iat= 120, 118, 116, 105, &end
#
#  trans-omega constraint for residue 9
 &rst iat= 142, 140, 138, 120, &end
#
#  trans-omega constraint for residue 10
 &rst iat= 166, 164, 162, 142, &end
#
#  trans-omega constraint for residue 11
 &rst iat= 183, 181, 179, 166, &end
#
#  trans-omega constraint for residue 12
 &rst iat= 194, 192, 190, 183, &end
#
#  trans-omega constraint for residue 13
 &rst iat= 217, 215, 213, 194, &end
#
#  trans-omega constraint for residue 14
 &rst iat= 241, 239, 237, 217, &end
#
#  trans-omega constraint for residue 15
 &rst iat= 257, 255, 253, 241, &end
#
#  trans-omega constraint for residue 16
 &rst iat= 278, 276, 274, 257, &end
#
#  trans-omega constraint for residue 17
 &rst iat= 299, 297, 295, 278, &end
#
#  trans-omega constraint for residue 18
 &rst iat= 319, 317, 315, 299, &end
#
#  trans-omega constraint for residue 19
 &rst iat= 333, 331, 329, 319, &end
#
#  trans-omega constraint for residue 20
 &rst iat= 351, 349, 347, 333, &end
#
#  trans-omega constraint for residue 21
 &rst iat= 370, 368, 366, 351, &end
#
#  trans-omega constraint for residue 22
 &rst iat= 384, 382, 380, 370, &end
#
#  trans-omega constraint for residue 23
 &rst iat= 398, 396, 394, 384, &end
#
#  trans-omega constraint for residue 24
 &rst iat= 408, 406, 404, 398, &end
#
#  trans-omega constraint for residue 25
 &rst iat= 419, 417, 415, 408, &end
#
#  trans-omega constraint for residue 26
 &rst iat= 436, 434, 432, 419, &end
#
#  trans-omega constraint for residue 27
 &rst iat= 456, 454, 452, 436, &end
#
#  trans-omega constraint for residue 28
 &rst iat= 471, 469, 467, 456, &end
#
#  trans-omega constraint for residue 29
 &rst iat= 503, 493, 491, 471, &end
#
#  trans-omega constraint for residue 30
 &rst iat= 509, 507, 505, 503, &end
#
#  trans-omega constraint for residue 31
 &rst iat= 520, 518, 516, 509, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H1       LYS   1 -18.408   6.440   0.732
    2    H2   LYS   1           H2       LYS   1 -18.488   4.947   0.022
    3    H3   LYS   1           H3       LYS   1 -18.067   6.253  -0.873
    4    HA   LYS   1           HA       LYS   1 -16.006   6.498   0.279
    5    HB2  LYS   1           HB2      LYS   1 -17.035   5.691   2.476
    6    HB3  LYS   1           HB3      LYS   1 -16.843   4.040   1.875
    7    HG2  LYS   1           HG2      LYS   1 -14.365   4.456   1.694
    8    HG3  LYS   1           HG3      LYS   1 -14.630   6.080   2.356
    9    HD2  LYS   1           HD2      LYS   1 -15.381   5.172   4.480
   10    HD3  LYS   1           HD3      LYS   1 -15.444   3.537   3.813
   11    HE2  LYS   1           HE2      LYS   1 -13.476   3.705   5.194
   12    HE3  LYS   1           HE3      LYS   1 -13.008   3.521   3.503
   13    HZ1  LYS   1           HZ1      LYS   1 -12.932   6.038   5.077
   14    HZ2  LYS   1           HZ2      LYS   1 -11.635   5.228   4.420
   15    HZ3  LYS   1           HZ3      LYS   1 -12.658   5.956   3.441
   16    H    LEU   2           H        LEU   2 -14.254   5.560  -0.793
   17    HA   LEU   2           HA       LEU   2 -14.789   3.414  -2.697
   18    HB2  LEU   2           HB2      LEU   2 -12.355   5.057  -1.944
   19    HB3  LEU   2           HB3      LEU   2 -12.211   3.713  -3.053
   20    HG   LEU   2           HG       LEU   2 -14.028   6.117  -3.512
   21   HD11  LEU   2          HD11      LEU   2 -12.385   6.659  -5.312
   22   HD12  LEU   2          HD12      LEU   2 -11.679   6.769  -3.710
   23   HD13  LEU   2          HD13      LEU   2 -11.337   5.352  -4.734
   24   HD21  LEU   2          HD21      LEU   2 -13.302   3.765  -5.324
   25   HD22  LEU   2          HD22      LEU   2 -14.921   4.148  -4.690
   26   HD23  LEU   2          HD23      LEU   2 -14.158   5.226  -5.849
   27    HA   PRO   3           HA       PRO   3 -14.075  -0.212  -0.779
   28    HB2  PRO   3           HB2      PRO   3 -11.588  -0.812  -2.392
   29    HB3  PRO   3           HB3      PRO   3 -12.966  -1.895  -2.006
   30    HG2  PRO   3           HG2      PRO   3 -12.912  -0.633  -4.387
   31    HG3  PRO   3           HG3      PRO   3 -14.437  -0.641  -3.440
   32    HD2  PRO   3           HD2      PRO   3 -12.365   1.550  -3.662
   33    HD3  PRO   3           HD3      PRO   3 -14.149   1.670  -3.737
   34    HA   PRO   4           HA       PRO   4 -11.002   0.347   2.499
   35    HB2  PRO   4           HB2      PRO   4 -12.114  -1.187   4.406
   36    HB3  PRO   4           HB3      PRO   4 -13.014   0.189   3.716
   37    HG2  PRO   4           HG2      PRO   4 -13.201  -2.734   2.882
   38    HG3  PRO   4           HG3      PRO   4 -14.539  -1.646   3.383
   39    HD2  PRO   4           HD2      PRO   4 -13.834  -2.019   0.752
   40    HD3  PRO   4           HD3      PRO   4 -14.463  -0.461   1.372
   41    H    GLY   5           H        GLY   5 -10.188  -1.598   4.259
   42    HA2  GLY   5           HA2      GLY   5  -9.018  -3.573   4.583
   43    HA3  GLY   5           HA3      GLY   5  -9.282  -4.018   2.894
   44    H    TRP   6           H        TRP   6  -7.771  -0.946   3.856
   45    HA   TRP   6           HA       TRP   6  -5.309  -1.787   2.440
   46    HB2  TRP   6           HB2      TRP   6  -6.344   0.957   3.123
   47    HB3  TRP   6           HB3      TRP   6  -4.862   0.610   2.237
   48    HD1  TRP   6           HD1      TRP   6  -8.662   0.446   1.803
   49    HE1  TRP   6           HE1      TRP   6  -9.248   0.779  -0.628
   50    HE3  TRP   6           HE3      TRP   6  -3.946   0.527  -0.044
   51    HZ2  TRP   6           HZ2      TRP   6  -7.734   1.507  -3.085
   52    HZ3  TRP   6           HZ3      TRP   6  -3.515   0.924  -2.465
   53    HH2  TRP   6           HH2      TRP   6  -5.420   1.411  -3.991
   54    H    GLU   7           H        GLU   7  -3.278  -1.076   3.091
   55    HA   GLU   7           HA       GLU   7  -2.879  -0.134   5.882
   56    HB2  GLU   7           HB2      GLU   7  -1.497  -2.374   4.379
   57    HB3  GLU   7           HB3      GLU   7  -0.810  -1.582   5.803
   58    HG2  GLU   7           HG2      GLU   7  -2.720  -2.381   7.170
   59    HG3  GLU   7           HG3      GLU   7  -3.352  -3.242   5.746
   60    H    LYS   8           H        LYS   8  -0.878   1.034   6.113
   61    HA   LYS   8           HA       LYS   8   0.264   2.136   3.613
   62    HB2  LYS   8           HB2      LYS   8   1.526   3.666   5.249
   63    HB3  LYS   8           HB3      LYS   8  -0.153   3.950   4.855
   64    HG2  LYS   8           HG2      LYS   8   0.219   4.385   7.171
   65    HG3  LYS   8           HG3      LYS   8  -0.903   3.044   6.992
   66    HD2  LYS   8           HD2      LYS   8   0.864   1.437   7.570
   67    HD3  LYS   8           HD3      LYS   8   2.075   2.725   7.630
   68    HE2  LYS   8           HE2      LYS   8  -0.398   2.516   9.415
   69    HE3  LYS   8           HE3      LYS   8   1.214   1.952   9.869
   70    HZ1  LYS   8           HZ1      LYS   8   2.018   4.216   9.662
   71    HZ2  LYS   8           HZ2      LYS   8   0.529   4.756   9.219
   72    HZ3  LYS   8           HZ3      LYS   8   0.772   4.162  10.732
   73    H    ARG   9           H        ARG   9   2.308   1.985   2.986
   74    HA   ARG   9           HA       ARG   9   4.125  -0.034   4.266
   75    HB2  ARG   9           HB2      ARG   9   3.397   0.275   1.332
   76    HB3  ARG   9           HB3      ARG   9   4.610  -0.836   1.968
   77    HG2  ARG   9           HG2      ARG   9   1.600  -1.050   2.435
   78    HG3  ARG   9           HG3      ARG   9   2.532  -1.914   1.218
   79    HD2  ARG   9           HD2      ARG   9   2.250  -3.480   2.896
   80    HD3  ARG   9           HD3      ARG   9   3.916  -2.925   3.111
   81    HE   ARG   9           HE       ARG   9   2.724  -1.277   4.824
   82   HH11  ARG   9          HH11      ARG   9   1.592  -4.648   4.489
   83   HH12  ARG   9          HH12      ARG   9   0.712  -4.443   6.017
   84   HH21  ARG   9          HH21      ARG   9   1.687  -1.295   6.635
   85   HH22  ARG   9          HH22      ARG   9   0.803  -2.773   7.142
   86    H    MET  10           H        MET  10   6.314   0.107   3.552
   87    HA   MET  10           HA       MET  10   7.175   2.853   2.927
   88    HB2  MET  10           HB2      MET  10   9.091   2.351   4.206
   89    HB3  MET  10           HB3      MET  10   7.675   1.747   5.088
   90    HG2  MET  10           HG2      MET  10   9.576   0.002   3.492
   91    HG3  MET  10           HG3      MET  10   9.650   0.266   5.225
   92    HE1  MET  10           HE1      MET  10   9.554  -2.579   3.709
   93    HE2  MET  10           HE2      MET  10   9.766  -2.385   5.467
   94    HE3  MET  10           HE3      MET  10   8.517  -3.483   4.837
   95    H    SER  11           H        SER  11   8.409   3.368   1.238
   96    HA   SER  11           HA       SER  11   9.871   1.280  -0.304
   97    HB2  SER  11           HB2      SER  11   9.214   2.363  -2.401
   98    HB3  SER  11           HB3      SER  11   7.787   1.754  -1.547
   99    HG   SER  11           HG       SER  11   8.772   4.370  -1.234
  100    H    CFD  12           H        CFD  12  11.718   1.951   0.829
  101    HA   CFD  12           HA       CFD  12  13.228   4.102  -0.209
  102   H1G1  CFD  12          H1G       CFD  12  13.126   6.275   0.133
  103    HD   CFD  12           HD       CFD  12  12.546   7.384   2.884
  104    H    ARG  13           H        ARG  13  10.446   6.203   0.492
  105    HA   ARG  13           HA       ARG  13   8.350   8.264   1.032
  106    HB2  ARG  13           HB2      ARG  13   9.137   8.159  -1.272
  107    HB3  ARG  13           HB3      ARG  13   8.809   6.439  -1.356
  108    HG2  ARG  13           HG2      ARG  13   7.164   7.764  -2.565
  109    HG3  ARG  13           HG3      ARG  13   6.404   6.821  -1.291
  110    HD2  ARG  13           HD2      ARG  13   5.832   8.720  -0.040
  111    HD3  ARG  13           HD3      ARG  13   7.223   9.633  -0.620
  112    HE   ARG  13           HE       ARG  13   6.081  10.338  -2.478
  113   HH11  ARG  13          HH11      ARG  13   3.900   8.003  -0.877
  114   HH12  ARG  13          HH12      ARG  13   2.528   8.602  -1.791
  115   HH21  ARG  13          HH21      ARG  13   4.283  11.031  -3.527
  116   HH22  ARG  13          HH22      ARG  13   2.732  10.295  -3.219
  117    H    VAL  14           H        VAL  14   6.350   7.734   1.676
  118    HA   VAL  14           HA       VAL  14   5.731   4.933   2.430
  119    HB   VAL  14           HB       VAL  14   4.248   7.515   3.057
  120   HG11  VAL  14          HG11      VAL  14   2.729   5.570   3.141
  121   HG12  VAL  14          HG12      VAL  14   3.883   4.699   4.178
  122   HG13  VAL  14          HG13      VAL  14   3.067   6.163   4.766
  123   HG21  VAL  14          HG21      VAL  14   6.426   7.482   4.189
  124   HG22  VAL  14          HG22      VAL  14   5.136   7.203   5.360
  125   HG23  VAL  14          HG23      VAL  14   6.118   5.836   4.787
  126    H    TYR  15           H        TYR  15   4.017   3.829   1.526
  127    HA   TYR  15           HA       TYR  15   2.290   5.168  -0.469
  128    HB2  TYR  15           HB2      TYR  15   2.568   3.527  -2.134
  129    HB3  TYR  15           HB3      TYR  15   4.166   4.066  -1.698
  130    HD1  TYR  15           HD1      TYR  15   5.732   2.549  -0.515
  131    HD2  TYR  15           HD2      TYR  15   1.812   1.241  -1.746
  132    HE1  TYR  15           HE1      TYR  15   6.476   0.177  -0.388
  133    HE2  TYR  15           HE2      TYR  15   2.555  -1.135  -1.577
  134    HH   TYR  15           HH       TYR  15   5.892  -2.004  -0.651
  135    H    TYR  16           H        TYR  16   0.447   3.526  -1.104
  136    HA   TYR  16           HA       TYR  16  -0.545   2.261   1.422
  137    HB2  TYR  16           HB2      TYR  16  -1.457   4.558   0.505
  138    HB3  TYR  16           HB3      TYR  16  -2.262   3.539  -0.676
  139    HD1  TYR  16           HD1      TYR  16  -1.760   3.470   3.088
  140    HD2  TYR  16           HD2      TYR  16  -4.504   3.336  -0.218
  141    HE1  TYR  16           HE1      TYR  16  -3.681   3.458   4.682
  142    HE2  TYR  16           HE2      TYR  16  -6.428   3.375   1.371
  143    HH   TYR  16           HH       TYR  16  -7.125   3.610   3.546
  144    H    PHE  17           H        PHE  17  -1.366   0.256   1.252
  145    HA   PHE  17           HA       PHE  17  -1.828  -0.942  -1.428
  146    HB2  PHE  17           HB2      PHE  17   0.035  -2.088  -1.298
  147    HB3  PHE  17           HB3      PHE  17   0.406  -1.374   0.276
  148    HD1  PHE  17           HD1      PHE  17  -0.554  -2.497   2.370
  149    HD2  PHE  17           HD2      PHE  17  -0.478  -4.422  -1.483
  150    HE1  PHE  17           HE1      PHE  17  -0.929  -4.702   3.466
  151    HE2  PHE  17           HE2      PHE  17  -0.778  -6.626  -0.385
  152    HZ   PHE  17           HZ       PHE  17  -0.989  -6.773   2.088
  153    H    ASN  18           H        ASN  18  -3.219  -2.619  -1.577
  154    HA   ASN  18           HA       ASN  18  -5.188  -2.719   0.631
  155    HB2  ASN  18           HB2      ASN  18  -5.731  -2.229  -1.835
  156    HB3  ASN  18           HB3      ASN  18  -5.545  -3.952  -2.098
  157   HD21  ASN  18          HD21      ASN  18  -7.464  -1.483  -0.290
  158   HD22  ASN  18          HD22      ASN  18  -8.764  -2.583   0.120
  159    H    HIS  19           H        HIS  19  -5.200  -4.317   2.109
  160    HA   HIS  19           HA       HIS  19  -3.434  -6.602   1.883
  161    HB2  HIS  19           HB2      HIS  19  -4.037  -5.295   3.961
  162    HB3  HIS  19           HB3      HIS  19  -5.636  -6.035   3.916
  163    HD1  HIS  19           HD1      HIS  19  -2.377  -6.455   5.477
  164    HD2  HIS  19           HD2      HIS  19  -5.435  -8.986   4.016
  165    HE1  HIS  19           HE1      HIS  19  -1.998  -8.767   6.556
  166    HE2  HIS  19           HE2      HIS  19  -3.875 -10.302   5.655
  167    H    ILE  20           H        ILE  20  -6.751  -6.074   0.965
  168    HA   ILE  20           HA       ILE  20  -7.352  -8.983   0.830
  169    HB   ILE  20           HB       ILE  20  -9.101  -6.550   0.287
  170   HG12  ILE  20          HG12      ILE  20  -8.974  -8.350   2.751
  171   HG13  ILE  20          HG13      ILE  20  -8.374  -6.694   2.667
  172   HG21  ILE  20          HG21      ILE  20  -9.847  -9.495   0.582
  173   HG22  ILE  20          HG22      ILE  20 -10.988  -8.150   0.360
  174   HG23  ILE  20          HG23      ILE  20  -9.879  -8.561  -0.928
  175   HD11  ILE  20          HD11      ILE  20 -11.276  -7.554   2.512
  176   HD12  ILE  20          HD12      ILE  20 -10.470  -6.602   3.765
  177   HD13  ILE  20          HD13      ILE  20 -10.703  -5.905   2.149
  178    H    THR  21           H        THR  21  -7.025  -6.165  -1.292
  179    HA   THR  21           HA       THR  21  -7.449  -7.832  -3.700
  180    HB   THR  21           HB       THR  21  -7.290  -4.832  -3.786
  181    HG1  THR  21           HG1      THR  21  -8.585  -5.127  -2.023
  182   HG21  THR  21          HG21      THR  21  -9.171  -5.108  -5.367
  183   HG22  THR  21          HG22      THR  21  -7.768  -6.054  -5.884
  184   HG23  THR  21          HG23      THR  21  -9.145  -6.864  -5.102
  185    H    ASN  22           H        ASN  22  -4.783  -6.652  -2.055
  186    HA   ASN  22           HA       ASN  22  -2.696  -6.301  -2.380
  187    HB2  ASN  22           HB2      ASN  22  -1.575  -7.985  -3.276
  188    HB3  ASN  22           HB3      ASN  22  -3.167  -8.683  -3.541
  189   HD21  ASN  22          HD21      ASN  22  -4.083  -7.484  -5.872
  190   HD22  ASN  22          HD22      ASN  22  -2.903  -7.850  -7.149
  191    H    ALA  23           H        ALA  23  -4.601  -4.821  -4.695
  192    HA   ALA  23           HA       ALA  23  -2.770  -3.442  -6.272
  193    HB1  ALA  23           HB1      ALA  23  -4.496  -1.674  -6.369
  194    HB2  ALA  23           HB2      ALA  23  -5.226  -3.287  -6.481
  195    HB3  ALA  23           HB3      ALA  23  -5.307  -2.376  -4.954
  196    H    SER  24           H        SER  24  -1.402  -1.726  -6.046
  197    HA   SER  24           HA       SER  24  -0.944  -0.553  -3.344
  198    HB2  SER  24           HB2      SER  24   1.445  -1.015  -3.628
  199    HB3  SER  24           HB3      SER  24   0.526  -2.535  -3.698
  200    HG   SER  24           HG       SER  24   1.070  -1.071  -6.048
  201    H    GLN  25           H        GLN  25  -0.576   1.634  -3.411
  202    HA   GLN  25           HA       GLN  25   0.460   2.933  -5.850
  203    HB2  GLN  25           HB2      GLN  25  -1.580   4.451  -5.901
  204    HB3  GLN  25           HB3      GLN  25  -1.784   2.813  -6.511
  205    HG2  GLN  25           HG2      GLN  25  -2.888   2.124  -4.407
  206    HG3  GLN  25           HG3      GLN  25  -2.678   3.748  -3.750
  207   HE21  GLN  25          HE21      GLN  25  -4.086   5.432  -4.539
  208   HE22  GLN  25          HE22      GLN  25  -5.435   5.042  -5.637
  209    H    PHE  26           H        PHE  26   1.084   5.110  -5.583
  210    HA   PHE  26           HA       PHE  26   2.163   5.657  -2.977
  211    HB2  PHE  26           HB2      PHE  26   2.134   7.198  -5.592
  212    HB3  PHE  26           HB3      PHE  26   2.955   7.771  -4.154
  213    HD1  PHE  26           HD1      PHE  26   4.653   6.181  -2.995
  214    HD2  PHE  26           HD2      PHE  26   3.331   5.729  -7.075
  215    HE1  PHE  26           HE1      PHE  26   6.647   4.786  -3.489
  216    HE2  PHE  26           HE2      PHE  26   5.332   4.342  -7.565
  217    HZ   PHE  26           HZ       PHE  26   6.988   3.866  -5.772
  218    H    GLU  27           H        GLU  27  -0.785   6.776  -4.518
  219    HA   GLU  27           HA       GLU  27  -1.284   8.667  -2.269
  220    HB2  GLU  27           HB2      GLU  27  -2.455   8.576  -5.072
  221    HB3  GLU  27           HB3      GLU  27  -2.813   9.790  -3.830
  222    HG2  GLU  27           HG2      GLU  27  -0.240   9.350  -5.381
  223    HG3  GLU  27           HG3      GLU  27  -1.271  10.781  -5.385
  224    H    ARG  28           H        ARG  28  -3.287   8.509  -1.198
  225    HA   ARG  28           HA       ARG  28  -4.384   5.814  -1.262
  226    HB2  ARG  28           HB2      ARG  28  -5.600   6.494   0.774
  227    HB3  ARG  28           HB3      ARG  28  -3.857   6.728   0.885
  228    HG2  ARG  28           HG2      ARG  28  -4.058   9.106   0.643
  229    HG3  ARG  28           HG3      ARG  28  -5.762   9.014   0.190
  230    HD2  ARG  28           HD2      ARG  28  -4.822   7.994   2.895
  231    HD3  ARG  28           HD3      ARG  28  -5.085   9.709   2.610
  232    HE   ARG  28           HE       ARG  28  -7.384   9.393   2.285
  233   HH11  ARG  28          HH11      ARG  28  -5.960   6.240   3.003
  234   HH12  ARG  28          HH12      ARG  28  -7.541   5.522   3.241
  235   HH21  ARG  28          HH21      ARG  28  -9.315   8.422   2.906
  236   HH22  ARG  28          HH22      ARG  28  -9.297   6.738   3.430
  237    HA   PRO  29           HA       PRO  29  -8.369   6.697  -3.257
  238    HB2  PRO  29           HB2      PRO  29  -9.868   4.679  -2.346
  239    HB3  PRO  29           HB3      PRO  29  -8.431   4.350  -3.354
  240    HG2  PRO  29           HG2      PRO  29  -8.494   4.446  -0.291
  241    HG3  PRO  29           HG3      PRO  29  -8.103   3.067  -1.321
  242    HD2  PRO  29           HD2      PRO  29  -6.186   4.716  -0.427
  243    HD3  PRO  29           HD3      PRO  29  -6.118   4.145  -2.129
  244    H    SER  30           H        SER  30 -10.825   6.548  -2.106
  245    HA   SER  30           HA       SER  30 -10.864   8.292   0.243
  246    HB2  SER  30           HB2      SER  30 -12.773   8.897  -0.690
  247    HB3  SER  30           HB3      SER  30 -12.763   7.535  -1.809
  248    HG   SER  30           HG       SER  30 -13.446   7.146   0.874
  249    H    GLY  31           H        GLY  31 -10.110   5.143   0.017
  250    HA2  GLY  31           HA2      GLY  31 -11.500   3.861   2.223
  251    HA3  GLY  31           HA3      GLY  31 -10.119   3.253   1.322
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -12.088   2.845  -3.395
    2    H2   LYS   1           H2       LYS   1 -10.777   2.351  -2.546
    3    H3   LYS   1           H3       LYS   1 -11.242   3.899  -2.424
    4    HA   LYS   1           HA       LYS   1 -13.331   3.144  -1.327
    5    HB2  LYS   1           HB2      LYS   1 -13.509   0.966  -2.316
    6    HB3  LYS   1           HB3      LYS   1 -11.933   0.496  -1.768
    7    HG2  LYS   1           HG2      LYS   1 -13.141   0.861   0.680
    8    HG3  LYS   1           HG3      LYS   1 -14.528   0.480  -0.328
    9    HD2  LYS   1           HD2      LYS   1 -13.898  -1.631   0.333
   10    HD3  LYS   1           HD3      LYS   1 -12.984  -1.535  -1.165
   11    HE2  LYS   1           HE2      LYS   1 -11.982  -1.127   1.692
   12    HE3  LYS   1           HE3      LYS   1 -11.628  -2.490   0.639
   13    HZ1  LYS   1           HZ1      LYS   1  -9.783  -0.971   0.715
   14    HZ2  LYS   1           HZ2      LYS   1 -10.372  -0.893  -0.822
   15    HZ3  LYS   1           HZ3      LYS   1 -10.699   0.302   0.269
   16    H    LEU   2           H        LEU   2 -12.485   4.701   0.044
   17    HA   LEU   2           HA       LEU   2 -10.225   4.438   1.708
   18    HB2  LEU   2           HB2      LEU   2 -11.437   6.488   1.074
   19    HB3  LEU   2           HB3      LEU   2 -12.790   6.034   2.083
   20    HG   LEU   2           HG       LEU   2 -11.243   7.817   2.914
   21   HD11  LEU   2          HD11      LEU   2 -11.472   5.526   4.886
   22   HD12  LEU   2          HD12      LEU   2 -11.354   7.253   5.220
   23   HD13  LEU   2          HD13      LEU   2 -12.801   6.613   4.426
   24   HD21  LEU   2          HD21      LEU   2  -9.310   5.563   3.554
   25   HD22  LEU   2          HD22      LEU   2  -9.089   6.785   2.277
   26   HD23  LEU   2          HD23      LEU   2  -9.147   7.273   3.981
   27    HA   PRO   3           HA       PRO   3 -13.226   2.379   4.975
   28    HB2  PRO   3           HB2      PRO   3 -14.490   0.574   2.884
   29    HB3  PRO   3           HB3      PRO   3 -15.109   0.980   4.519
   30    HG2  PRO   3           HG2      PRO   3 -16.062   2.339   2.416
   31    HG3  PRO   3           HG3      PRO   3 -15.548   3.251   3.875
   32    HD2  PRO   3           HD2      PRO   3 -14.054   2.824   1.293
   33    HD3  PRO   3           HD3      PRO   3 -14.226   4.316   2.258
   34    HA   PRO   4           HA       PRO   4 -10.265  -0.490   5.900
   35    HB2  PRO   4           HB2      PRO   4 -12.343  -2.574   6.613
   36    HB3  PRO   4           HB3      PRO   4 -10.883  -2.083   7.534
   37    HG2  PRO   4           HG2      PRO   4 -13.271  -1.048   8.218
   38    HG3  PRO   4           HG3      PRO   4 -11.858   0.051   8.070
   39    HD2  PRO   4           HD2      PRO   4 -14.063  -0.466   6.062
   40    HD3  PRO   4           HD3      PRO   4 -13.355   1.087   6.596
   41    H    GLY   5           H        GLY   5  -9.121  -2.494   5.684
   42    HA2  GLY   5           HA2      GLY   5  -8.726  -4.544   4.358
   43    HA3  GLY   5           HA3      GLY   5  -9.508  -3.735   2.990
   44    H    TRP   6           H        TRP   6  -7.741  -1.351   4.475
   45    HA   TRP   6           HA       TRP   6  -5.441  -1.712   2.634
   46    HB2  TRP   6           HB2      TRP   6  -6.689   0.742   3.912
   47    HB3  TRP   6           HB3      TRP   6  -5.084   0.718   3.150
   48    HD1  TRP   6           HD1      TRP   6  -8.709   0.986   2.142
   49    HE1  TRP   6           HE1      TRP   6  -8.763   1.286  -0.457
   50    HE3  TRP   6           HE3      TRP   6  -3.833   0.009   1.090
   51    HZ2  TRP   6           HZ2      TRP   6  -6.844   1.402  -2.549
   52    HZ3  TRP   6           HZ3      TRP   6  -3.013  -0.006  -1.293
   53    HH2  TRP   6           HH2      TRP   6  -4.561   0.624  -3.122
   54    H    GLU   7           H        GLU   7  -3.409  -1.179   3.169
   55    HA   GLU   7           HA       GLU   7  -2.582  -0.627   5.949
   56    HB2  GLU   7           HB2      GLU   7  -1.768  -2.879   4.099
   57    HB3  GLU   7           HB3      GLU   7  -0.620  -2.229   5.276
   58    HG2  GLU   7           HG2      GLU   7  -2.351  -2.736   7.080
   59    HG3  GLU   7           HG3      GLU   7  -3.278  -3.595   5.829
   60    H    LYS   8           H        LYS   8  -0.275   0.277   5.873
   61    HA   LYS   8           HA       LYS   8   0.625   1.069   3.182
   62    HB2  LYS   8           HB2      LYS   8   1.229   3.334   3.920
   63    HB3  LYS   8           HB3      LYS   8  -0.497   3.022   3.783
   64    HG2  LYS   8           HG2      LYS   8  -0.616   2.746   6.268
   65    HG3  LYS   8           HG3      LYS   8   1.097   3.217   6.362
   66    HD2  LYS   8           HD2      LYS   8  -1.324   4.838   5.549
   67    HD3  LYS   8           HD3      LYS   8  -0.197   5.162   6.859
   68    HE2  LYS   8           HE2      LYS   8   1.560   5.766   5.238
   69    HE3  LYS   8           HE3      LYS   8   0.492   5.336   3.891
   70    HZ1  LYS   8           HZ1      LYS   8  -1.020   7.083   4.572
   71    HZ2  LYS   8           HZ2      LYS   8  -0.036   7.512   5.822
   72    HZ3  LYS   8           HZ3      LYS   8   0.472   7.709   4.270
   73    H    ARG   9           H        ARG   9   2.736   1.604   2.917
   74    HA   ARG   9           HA       ARG   9   4.687   0.238   4.736
   75    HB2  ARG   9           HB2      ARG   9   4.326  -0.060   1.736
   76    HB3  ARG   9           HB3      ARG   9   5.652  -0.761   2.657
   77    HG2  ARG   9           HG2      ARG   9   2.713  -1.580   2.805
   78    HG3  ARG   9           HG3      ARG   9   4.009  -2.411   1.958
   79    HD2  ARG   9           HD2      ARG   9   3.968  -3.681   3.838
   80    HD3  ARG   9           HD3      ARG   9   5.173  -2.496   4.333
   81    HE   ARG   9           HE       ARG   9   3.300  -1.273   5.509
   82   HH11  ARG   9          HH11      ARG   9   2.524  -4.700   4.793
   83   HH12  ARG   9          HH12      ARG   9   1.184  -4.574   5.964
   84   HH21  ARG   9          HH21      ARG   9   1.686  -1.433   6.947
   85   HH22  ARG   9          HH22      ARG   9   0.797  -2.994   7.061
   86    H    MET  10           H        MET  10   6.891   0.733   4.242
   87    HA   MET  10           HA       MET  10   7.384   3.501   3.540
   88    HB2  MET  10           HB2      MET  10   9.619   3.054   4.259
   89    HB3  MET  10           HB3      MET  10   8.490   2.317   5.405
   90    HG2  MET  10           HG2      MET  10   9.976   0.791   3.232
   91    HG3  MET  10           HG3      MET  10  10.513   0.948   4.896
   92    HE1  MET  10           HE1      MET  10  10.809  -1.691   4.908
   93    HE2  MET  10           HE2      MET  10   9.492  -2.830   4.546
   94    HE3  MET  10           HE3      MET  10  10.148  -1.794   3.259
   95    H    SER  11           H        SER  11   8.658   4.285   1.885
   96    HA   SER  11           HA       SER  11   9.622   2.482  -0.266
   97    HB2  SER  11           HB2      SER  11   7.518   3.107  -1.155
   98    HB3  SER  11           HB3      SER  11   7.663   4.770  -0.568
   99    HG   SER  11           HG       SER  11   9.560   4.874  -1.965
  100    H    CFD  12           H        CFD  12  11.288   3.280   1.576
  101    HA   CFD  12           HA       CFD  12  13.202   4.905   0.247
  102   H1G1  CFD  12          H1G       CFD  12  13.036   7.082  -0.068
  103    HD   CFD  12           HD       CFD  12  12.549   8.928   2.286
  104    H    ARG  13           H        ARG  13  10.437   7.073   0.525
  105    HA   ARG  13           HA       ARG  13   8.131   8.931   0.927
  106    HB2  ARG  13           HB2      ARG  13   9.199   8.109  -1.529
  107    HB3  ARG  13           HB3      ARG  13   7.965   6.908  -1.249
  108    HG2  ARG  13           HG2      ARG  13   6.785   8.503  -2.430
  109    HG3  ARG  13           HG3      ARG  13   6.380   8.974  -0.784
  110    HD2  ARG  13           HD2      ARG  13   8.463  10.236  -2.620
  111    HD3  ARG  13           HD3      ARG  13   6.907  10.927  -2.159
  112    HE   ARG  13           HE       ARG  13   9.111  10.382  -0.181
  113   HH11  ARG  13          HH11      ARG  13   6.782  12.741  -1.377
  114   HH12  ARG  13          HH12      ARG  13   7.166  13.858  -0.094
  115   HH21  ARG  13          HH21      ARG  13   9.527  11.726   1.335
  116   HH22  ARG  13          HH22      ARG  13   8.750  13.305   1.446
  117    H    VAL  14           H        VAL  14   6.032   7.550   0.532
  118    HA   VAL  14           HA       VAL  14   6.021   5.017   2.030
  119    HB   VAL  14           HB       VAL  14   5.770   6.875   3.689
  120   HG11  VAL  14          HG11      VAL  14   4.575   8.530   2.270
  121   HG12  VAL  14          HG12      VAL  14   3.131   7.498   2.299
  122   HG13  VAL  14          HG13      VAL  14   3.751   8.219   3.800
  123   HG21  VAL  14          HG21      VAL  14   3.287   5.149   3.374
  124   HG22  VAL  14          HG22      VAL  14   4.798   4.719   4.212
  125   HG23  VAL  14          HG23      VAL  14   3.793   6.020   4.842
  126    H    TYR  15           H        TYR  15   4.146   3.734   1.483
  127    HA   TYR  15           HA       TYR  15   2.252   4.876  -0.482
  128    HB2  TYR  15           HB2      TYR  15   2.621   3.353  -2.171
  129    HB3  TYR  15           HB3      TYR  15   4.233   3.866  -1.726
  130    HD1  TYR  15           HD1      TYR  15   5.656   2.261  -0.235
  131    HD2  TYR  15           HD2      TYR  15   1.975   1.086  -2.138
  132    HE1  TYR  15           HE1      TYR  15   6.358  -0.121  -0.121
  133    HE2  TYR  15           HE2      TYR  15   2.618  -1.301  -1.917
  134    HH   TYR  15           HH       TYR  15   4.233  -2.769  -1.250
  135    H    TYR  16           H        TYR  16   0.451   3.400  -0.986
  136    HA   TYR  16           HA       TYR  16  -0.448   1.943   1.452
  137    HB2  TYR  16           HB2      TYR  16  -1.888   3.311  -0.835
  138    HB3  TYR  16           HB3      TYR  16  -2.683   2.148   0.203
  139    HD1  TYR  16           HD1      TYR  16  -3.021   2.506   2.582
  140    HD2  TYR  16           HD2      TYR  16  -1.366   5.562   0.028
  141    HE1  TYR  16           HE1      TYR  16  -3.433   4.184   4.356
  142    HE2  TYR  16           HE2      TYR  16  -1.812   7.270   1.791
  143    HH   TYR  16           HH       TYR  16  -3.443   6.448   4.851
  144    H    PHE  17           H        PHE  17  -0.876  -0.197   1.425
  145    HA   PHE  17           HA       PHE  17  -0.991  -1.634  -1.171
  146    HB2  PHE  17           HB2      PHE  17   0.851  -2.665  -0.613
  147    HB3  PHE  17           HB3      PHE  17   0.828  -2.061   1.055
  148    HD1  PHE  17           HD1      PHE  17  -0.260  -4.822  -1.216
  149    HD2  PHE  17           HD2      PHE  17  -0.091  -3.389   2.840
  150    HE1  PHE  17           HE1      PHE  17  -1.095  -7.014  -0.403
  151    HE2  PHE  17           HE2      PHE  17  -1.034  -5.539   3.647
  152    HZ   PHE  17           HZ       PHE  17  -1.488  -7.378   2.025
  153    H    ASN  18           H        ASN  18  -2.461  -3.148  -1.396
  154    HA   ASN  18           HA       ASN  18  -4.779  -2.820   0.437
  155    HB2  ASN  18           HB2      ASN  18  -4.722  -2.243  -2.068
  156    HB3  ASN  18           HB3      ASN  18  -4.804  -3.966  -2.359
  157   HD21  ASN  18          HD21      ASN  18  -6.627  -1.416  -2.474
  158   HD22  ASN  18          HD22      ASN  18  -8.195  -2.007  -2.006
  159    H    HIS  19           H        HIS  19  -5.162  -4.354   1.905
  160    HA   HIS  19           HA       HIS  19  -3.925  -6.986   1.733
  161    HB2  HIS  19           HB2      HIS  19  -4.247  -5.483   3.785
  162    HB3  HIS  19           HB3      HIS  19  -5.939  -5.978   3.779
  163    HD1  HIS  19           HD1      HIS  19  -2.829  -6.786   5.431
  164    HD2  HIS  19           HD2      HIS  19  -6.116  -8.958   3.873
  165    HE1  HIS  19           HE1      HIS  19  -2.776  -9.101   6.543
  166    HE2  HIS  19           HE2      HIS  19  -4.786 -10.419   5.587
  167    H    ILE  20           H        ILE  20  -6.926  -5.675   0.612
  168    HA   ILE  20           HA       ILE  20  -8.207  -8.364   0.475
  169    HB   ILE  20           HB       ILE  20  -9.326  -5.609  -0.139
  170   HG12  ILE  20          HG12      ILE  20  -8.798  -5.763   2.215
  171   HG13  ILE  20          HG13      ILE  20 -10.537  -5.753   1.965
  172   HG21  ILE  20          HG21      ILE  20 -10.563  -7.272  -1.381
  173   HG22  ILE  20          HG22      ILE  20 -10.686  -8.328   0.037
  174   HG23  ILE  20          HG23      ILE  20 -11.543  -6.772  -0.001
  175   HD11  ILE  20          HD11      ILE  20 -10.607  -8.209   2.393
  176   HD12  ILE  20          HD12      ILE  20  -8.845  -8.202   2.659
  177   HD13  ILE  20          HD13      ILE  20  -9.914  -7.306   3.748
  178    H    THR  21           H        THR  21  -7.253  -5.663  -1.717
  179    HA   THR  21           HA       THR  21  -7.908  -7.408  -4.029
  180    HB   THR  21           HB       THR  21  -7.838  -5.495  -5.404
  181    HG1  THR  21           HG1      THR  21  -7.298  -3.561  -3.667
  182   HG21  THR  21          HG21      THR  21  -9.096  -4.551  -2.788
  183   HG22  THR  21          HG22      THR  21  -9.449  -3.967  -4.429
  184   HG23  THR  21          HG23      THR  21  -9.867  -5.626  -3.973
  185    H    ASN  22           H        ASN  22  -5.092  -6.773  -2.280
  186    HA   ASN  22           HA       ASN  22  -2.938  -6.905  -2.566
  187    HB2  ASN  22           HB2      ASN  22  -2.166  -8.775  -3.393
  188    HB3  ASN  22           HB3      ASN  22  -3.830  -9.151  -3.810
  189   HD21  ASN  22          HD21      ASN  22  -4.359  -7.879  -6.140
  190   HD22  ASN  22          HD22      ASN  22  -3.149  -8.368  -7.352
  191    H    ALA  23           H        ALA  23  -4.623  -4.909  -4.477
  192    HA   ALA  23           HA       ALA  23  -2.609  -3.913  -6.244
  193    HB1  ALA  23           HB1      ALA  23  -5.059  -3.477  -6.426
  194    HB2  ALA  23           HB2      ALA  23  -4.967  -2.467  -4.963
  195    HB3  ALA  23           HB3      ALA  23  -4.102  -1.986  -6.437
  196    H    SER  24           H        SER  24  -1.805  -1.550  -6.021
  197    HA   SER  24           HA       SER  24  -1.276  -0.599  -3.339
  198    HB2  SER  24           HB2      SER  24   0.999  -1.678  -5.055
  199    HB3  SER  24           HB3      SER  24   1.235  -0.575  -3.682
  200    HG   SER  24           HG       SER  24  -0.398  -2.787  -3.240
  201    H    GLN  25           H        GLN  25  -0.547   1.542  -3.278
  202    HA   GLN  25           HA       GLN  25  -0.149   3.058  -5.761
  203    HB2  GLN  25           HB2      GLN  25  -2.174   4.541  -5.173
  204    HB3  GLN  25           HB3      GLN  25  -2.459   3.027  -6.024
  205    HG2  GLN  25           HG2      GLN  25  -3.219   1.922  -4.028
  206    HG3  GLN  25           HG3      GLN  25  -2.808   3.312  -3.014
  207   HE21  GLN  25          HE21      GLN  25  -3.921   5.335  -3.509
  208   HE22  GLN  25          HE22      GLN  25  -5.397   5.428  -4.459
  209    H    PHE  26           H        PHE  26   0.536   5.207  -5.417
  210    HA   PHE  26           HA       PHE  26   1.614   5.777  -2.720
  211    HB2  PHE  26           HB2      PHE  26   1.946   7.062  -5.446
  212    HB3  PHE  26           HB3      PHE  26   2.491   7.845  -3.970
  213    HD1  PHE  26           HD1      PHE  26   4.335   6.990  -2.633
  214    HD2  PHE  26           HD2      PHE  26   3.105   4.982  -6.246
  215    HE1  PHE  26           HE1      PHE  26   6.445   5.682  -2.632
  216    HE2  PHE  26           HE2      PHE  26   5.214   3.671  -6.230
  217    HZ   PHE  26           HZ       PHE  26   6.885   4.020  -4.418
  218    H    GLU  27           H        GLU  27  -0.933   7.019  -4.879
  219    HA   GLU  27           HA       GLU  27  -1.763   9.070  -2.968
  220    HB2  GLU  27           HB2      GLU  27  -3.324   9.714  -4.540
  221    HB3  GLU  27           HB3      GLU  27  -1.988   9.152  -5.500
  222    HG2  GLU  27           HG2      GLU  27  -3.712   8.208  -6.664
  223    HG3  GLU  27           HG3      GLU  27  -3.269   6.862  -5.620
  224    H    ARG  28           H        ARG  28  -4.244   8.878  -2.202
  225    HA   ARG  28           HA       ARG  28  -4.073   6.453  -0.596
  226    HB2  ARG  28           HB2      ARG  28  -5.289   7.462   1.065
  227    HB3  ARG  28           HB3      ARG  28  -4.217   8.696   0.448
  228    HG2  ARG  28           HG2      ARG  28  -7.226   8.487  -0.064
  229    HG3  ARG  28           HG3      ARG  28  -6.419   9.533   1.080
  230    HD2  ARG  28           HD2      ARG  28  -6.802  11.048  -0.572
  231    HD3  ARG  28           HD3      ARG  28  -5.180  10.532  -1.007
  232    HE   ARG  28           HE       ARG  28  -6.051   9.471  -2.964
  233   HH11  ARG  28          HH11      ARG  28  -8.851  10.386  -1.035
  234   HH12  ARG  28          HH12      ARG  28  -9.930   9.924  -2.333
  235   HH21  ARG  28          HH21      ARG  28  -7.286   8.898  -4.358
  236   HH22  ARG  28          HH22      ARG  28  -9.051   8.996  -4.261
  237    HA   PRO  29           HA       PRO  29  -7.073   3.317  -1.438
  238    HB2  PRO  29           HB2      PRO  29  -8.545   5.259   0.325
  239    HB3  PRO  29           HB3      PRO  29  -8.648   3.467   0.290
  240    HG2  PRO  29           HG2      PRO  29  -6.759   5.113   1.745
  241    HG3  PRO  29           HG3      PRO  29  -6.670   3.335   1.583
  242    HD2  PRO  29           HD2      PRO  29  -4.756   4.947   0.510
  243    HD3  PRO  29           HD3      PRO  29  -5.294   3.436  -0.313
  244    H    SER  30           H        SER  30  -6.932   4.221  -3.765
  245    HA   SER  30           HA       SER  30  -9.642   5.011  -4.670
  246    HB2  SER  30           HB2      SER  30  -7.104   4.238  -6.142
  247    HB3  SER  30           HB3      SER  30  -8.682   4.373  -6.942
  248    HG   SER  30           HG       SER  30  -7.040   6.405  -5.805
  249    H    GLY  31           H        GLY  31  -7.672   2.143  -4.187
  250    HA2  GLY  31           HA2      GLY  31  -9.884   0.240  -4.852
  251    HA3  GLY  31           HA3      GLY  31  -8.214  -0.187  -4.467
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1  -7.032   4.566  -7.296
    2    H2   LYS   1           H2       LYS   1  -5.781   4.140  -6.302
    3    H3   LYS   1           H3       LYS   1  -6.216   5.743  -6.488
    4    HA   LYS   1           HA       LYS   1  -6.921   4.420  -4.408
    5    HB2  LYS   1           HB2      LYS   1  -9.028   5.724  -4.233
    6    HB3  LYS   1           HB3      LYS   1  -7.623   6.665  -4.715
    7    HG2  LYS   1           HG2      LYS   1  -8.482   6.319  -7.166
    8    HG3  LYS   1           HG3      LYS   1  -9.995   5.830  -6.427
    9    HD2  LYS   1           HD2      LYS   1 -10.456   7.966  -5.617
   10    HD3  LYS   1           HD3      LYS   1  -8.760   8.441  -5.502
   11    HE2  LYS   1           HE2      LYS   1 -10.173   7.998  -8.156
   12    HE3  LYS   1           HE3      LYS   1 -10.076   9.572  -7.347
   13    HZ1  LYS   1           HZ1      LYS   1  -8.235   9.222  -8.979
   14    HZ2  LYS   1           HZ2      LYS   1  -7.646   9.436  -7.437
   15    HZ3  LYS   1           HZ3      LYS   1  -7.640   7.996  -8.004
   16    H    LEU   2           H        LEU   2  -8.219   2.777  -3.646
   17    HA   LEU   2           HA       LEU   2 -10.021   1.361  -5.490
   18    HB2  LEU   2           HB2      LEU   2  -7.364   0.368  -4.514
   19    HB3  LEU   2           HB3      LEU   2  -8.676  -0.728  -4.223
   20    HG   LEU   2           HG       LEU   2  -9.255  -0.165  -6.819
   21   HD11  LEU   2          HD11      LEU   2  -6.208  -0.087  -6.734
   22   HD12  LEU   2          HD12      LEU   2  -7.249  -0.062  -8.163
   23   HD13  LEU   2          HD13      LEU   2  -7.230   1.321  -7.069
   24   HD21  LEU   2          HD21      LEU   2  -7.232  -2.216  -5.847
   25   HD22  LEU   2          HD22      LEU   2  -8.989  -2.410  -5.915
   26   HD23  LEU   2          HD23      LEU   2  -8.068  -2.246  -7.415
   27    HA   PRO   3           HA       PRO   3 -12.636   0.554  -2.047
   28    HB2  PRO   3           HB2      PRO   3 -12.285  -2.424  -2.465
   29    HB3  PRO   3           HB3      PRO   3 -13.805  -1.492  -2.280
   30    HG2  PRO   3           HG2      PRO   3 -13.039  -2.261  -4.730
   31    HG3  PRO   3           HG3      PRO   3 -13.604  -0.571  -4.479
   32    HD2  PRO   3           HD2      PRO   3 -10.760  -1.610  -4.579
   33    HD3  PRO   3           HD3      PRO   3 -11.477  -0.214  -5.442
   34    HA   PRO   4           HA       PRO   4 -10.773  -0.303   1.839
   35    HB2  PRO   4           HB2      PRO   4 -12.907  -2.333   2.506
   36    HB3  PRO   4           HB3      PRO   4 -12.310  -0.957   3.490
   37    HG2  PRO   4           HG2      PRO   4 -14.624  -0.707   2.141
   38    HG3  PRO   4           HG3      PRO   4 -13.422   0.629   2.062
   39    HD2  PRO   4           HD2      PRO   4 -13.885  -1.607   0.064
   40    HD3  PRO   4           HD3      PRO   4 -13.746   0.153  -0.231
   41    H    GLY   5           H        GLY   5 -10.161  -2.055   3.578
   42    HA2  GLY   5           HA2      GLY   5  -9.200  -4.159   4.085
   43    HA3  GLY   5           HA3      GLY   5  -9.110  -4.553   2.367
   44    H    TRP   6           H        TRP   6  -7.868  -1.575   3.962
   45    HA   TRP   6           HA       TRP   6  -5.452  -1.834   2.419
   46    HB2  TRP   6           HB2      TRP   6  -6.472   0.304   4.285
   47    HB3  TRP   6           HB3      TRP   6  -4.991   0.425   3.329
   48    HD1  TRP   6           HD1      TRP   6  -8.796   0.306   2.795
   49    HE1  TRP   6           HE1      TRP   6  -9.298   1.179   0.414
   50    HE3  TRP   6           HE3      TRP   6  -4.040   0.730   1.049
   51    HZ2  TRP   6           HZ2      TRP   6  -7.812   2.581  -1.608
   52    HZ3  TRP   6           HZ3      TRP   6  -3.589   1.888  -1.127
   53    HH2  TRP   6           HH2      TRP   6  -5.464   2.873  -2.417
   54    H    GLU   7           H        GLU   7  -3.345  -1.324   3.118
   55    HA   GLU   7           HA       GLU   7  -2.459  -1.660   5.885
   56    HB2  GLU   7           HB2      GLU   7  -2.232  -3.626   3.726
   57    HB3  GLU   7           HB3      GLU   7  -0.630  -3.050   4.168
   58    HG2  GLU   7           HG2      GLU   7  -2.612  -3.987   6.283
   59    HG3  GLU   7           HG3      GLU   7  -1.515  -5.085   5.438
   60    H    LYS   8           H        LYS   8  -0.196  -0.855   6.096
   61    HA   LYS   8           HA       LYS   8   0.237   1.431   4.163
   62    HB2  LYS   8           HB2      LYS   8   0.964   1.654   7.071
   63    HB3  LYS   8           HB3      LYS   8   0.608   2.922   5.884
   64    HG2  LYS   8           HG2      LYS   8  -1.801   2.164   5.902
   65    HG3  LYS   8           HG3      LYS   8  -1.386   1.014   7.190
   66    HD2  LYS   8           HD2      LYS   8  -0.591   2.948   8.594
   67    HD3  LYS   8           HD3      LYS   8  -1.201   4.039   7.335
   68    HE2  LYS   8           HE2      LYS   8  -3.451   2.776   7.579
   69    HE3  LYS   8           HE3      LYS   8  -2.757   2.049   9.039
   70    HZ1  LYS   8           HZ1      LYS   8  -3.375   4.882   8.493
   71    HZ2  LYS   8           HZ2      LYS   8  -3.952   3.959   9.711
   72    HZ3  LYS   8           HZ3      LYS   8  -2.375   4.455   9.750
   73    H    ARG   9           H        ARG   9   2.221   1.699   3.227
   74    HA   ARG   9           HA       ARG   9   4.498   0.003   4.212
   75    HB2  ARG   9           HB2      ARG   9   3.513   0.422   1.376
   76    HB3  ARG   9           HB3      ARG   9   4.937  -0.511   1.820
   77    HG2  ARG   9           HG2      ARG   9   2.059  -1.280   2.488
   78    HG3  ARG   9           HG3      ARG   9   3.008  -1.873   1.137
   79    HD2  ARG   9           HD2      ARG   9   3.161  -3.588   2.685
   80    HD3  ARG   9           HD3      ARG   9   4.711  -2.755   2.834
   81    HE   ARG   9           HE       ARG   9   3.562  -1.527   4.815
   82   HH11  ARG   9          HH11      ARG   9   2.443  -4.860   4.144
   83   HH12  ARG   9          HH12      ARG   9   1.597  -4.792   5.717
   84   HH21  ARG   9          HH21      ARG   9   2.513  -1.731   6.601
   85   HH22  ARG   9          HH22      ARG   9   1.649  -3.223   6.970
   86    H    MET  10           H        MET  10   6.584   0.522   3.317
   87    HA   MET  10           HA       MET  10   6.953   3.422   2.727
   88    HB2  MET  10           HB2      MET  10   8.515   1.559   4.526
   89    HB3  MET  10           HB3      MET  10   9.172   3.098   3.927
   90    HG2  MET  10           HG2      MET  10   7.258   4.311   4.917
   91    HG3  MET  10           HG3      MET  10   6.632   2.791   5.572
   92    HE1  MET  10           HE1      MET  10   7.855   4.749   8.744
   93    HE2  MET  10           HE2      MET  10   7.149   5.448   7.268
   94    HE3  MET  10           HE3      MET  10   6.483   3.942   7.950
   95    H    SER  11           H        SER  11   8.612   4.001   1.424
   96    HA   SER  11           HA       SER  11   9.952   1.952  -0.272
   97    HB2  SER  11           HB2      SER  11   8.059   2.664  -1.571
   98    HB3  SER  11           HB3      SER  11   8.337   4.366  -1.160
   99    HG   SER  11           HG       SER  11  10.434   4.067  -2.170
  100    H    CFD  12           H        CFD  12  11.132   3.005   1.925
  101    HA   CFD  12           HA       CFD  12  13.426   4.375   0.867
  102   H1G1  CFD  12          H1G       CFD  12  13.256   6.489   0.235
  103    HD   CFD  12           HD       CFD  12  12.545   8.587   2.307
  104    H    ARG  13           H        ARG  13  10.568   6.619   0.604
  105    HA   ARG  13           HA       ARG  13   8.339   8.613   0.476
  106    HB2  ARG  13           HB2      ARG  13   9.215   6.510  -1.515
  107    HB3  ARG  13           HB3      ARG  13   7.500   6.893  -1.365
  108    HG2  ARG  13           HG2      ARG  13   8.126   8.309  -3.066
  109    HG3  ARG  13           HG3      ARG  13   8.159   9.367  -1.660
  110    HD2  ARG  13           HD2      ARG  13  10.720   8.882  -1.588
  111    HD3  ARG  13           HD3      ARG  13  10.499   8.111  -3.145
  112    HE   ARG  13           HE       ARG  13  10.143  10.182  -4.142
  113   HH11  ARG  13          HH11      ARG  13  10.351  10.745  -0.607
  114   HH12  ARG  13          HH12      ARG  13  10.416  12.462  -0.847
  115   HH21  ARG  13          HH21      ARG  13  10.241  12.398  -4.287
  116   HH22  ARG  13          HH22      ARG  13  10.363  13.364  -2.848
  117    H    VAL  14           H        VAL  14   6.214   7.731   0.665
  118    HA   VAL  14           HA       VAL  14   5.931   5.199   2.171
  119    HB   VAL  14           HB       VAL  14   5.983   7.081   3.782
  120   HG11  VAL  14          HG11      VAL  14   5.001   8.878   2.384
  121   HG12  VAL  14          HG12      VAL  14   3.426   8.057   2.440
  122   HG13  VAL  14          HG13      VAL  14   4.157   8.689   3.926
  123   HG21  VAL  14          HG21      VAL  14   4.722   5.071   4.341
  124   HG22  VAL  14          HG22      VAL  14   3.943   6.509   5.005
  125   HG23  VAL  14          HG23      VAL  14   3.263   5.732   3.564
  126    H    TYR  15           H        TYR  15   3.980   4.083   1.716
  127    HA   TYR  15           HA       TYR  15   2.065   5.267  -0.160
  128    HB2  TYR  15           HB2      TYR  15   2.370   3.727  -1.914
  129    HB3  TYR  15           HB3      TYR  15   3.940   4.399  -1.559
  130    HD1  TYR  15           HD1      TYR  15   5.735   3.019  -0.599
  131    HD2  TYR  15           HD2      TYR  15   1.871   1.355  -1.534
  132    HE1  TYR  15           HE1      TYR  15   6.720   0.732  -0.587
  133    HE2  TYR  15           HE2      TYR  15   2.853  -0.942  -1.477
  134    HH   TYR  15           HH       TYR  15   6.318  -1.503  -0.861
  135    H    TYR  16           H        TYR  16   0.301   3.568  -0.708
  136    HA   TYR  16           HA       TYR  16  -0.274   1.957   1.758
  137    HB2  TYR  16           HB2      TYR  16  -1.998   3.939   0.273
  138    HB3  TYR  16           HB3      TYR  16  -2.705   2.556   1.073
  139    HD1  TYR  16           HD1      TYR  16  -0.061   5.087   2.074
  140    HD2  TYR  16           HD2      TYR  16  -3.709   3.011   3.076
  141    HE1  TYR  16           HE1      TYR  16  -0.127   6.248   4.263
  142    HE2  TYR  16           HE2      TYR  16  -3.846   4.294   5.200
  143    HH   TYR  16           HH       TYR  16  -2.923   5.953   6.528
  144    H    PHE  17           H        PHE  17  -1.271  -0.028   1.456
  145    HA   PHE  17           HA       PHE  17  -1.746  -0.900  -1.352
  146    HB2  PHE  17           HB2      PHE  17   0.243  -1.896  -1.252
  147    HB3  PHE  17           HB3      PHE  17   0.374  -1.729   0.495
  148    HD1  PHE  17           HD1      PHE  17  -0.618  -3.408   1.987
  149    HD2  PHE  17           HD2      PHE  17  -0.381  -4.025  -2.265
  150    HE1  PHE  17           HE1      PHE  17  -0.939  -5.842   2.341
  151    HE2  PHE  17           HE2      PHE  17  -0.654  -6.468  -1.919
  152    HZ   PHE  17           HZ       PHE  17  -0.942  -7.385   0.364
  153    H    ASN  18           H        ASN  18  -3.090  -2.646  -1.575
  154    HA   ASN  18           HA       ASN  18  -5.063  -2.833   0.668
  155    HB2  ASN  18           HB2      ASN  18  -5.761  -2.025  -1.582
  156    HB3  ASN  18           HB3      ASN  18  -5.448  -3.636  -2.213
  157   HD21  ASN  18          HD21      ASN  18  -8.082  -1.864  -1.443
  158   HD22  ASN  18          HD22      ASN  18  -9.009  -3.067  -0.609
  159    H    HIS  19           H        HIS  19  -5.027  -4.575   1.993
  160    HA   HIS  19           HA       HIS  19  -3.320  -6.849   1.283
  161    HB2  HIS  19           HB2      HIS  19  -3.506  -7.563   3.515
  162    HB3  HIS  19           HB3      HIS  19  -3.251  -5.830   3.541
  163    HD1  HIS  19           HD1      HIS  19  -4.989  -4.494   5.091
  164    HD2  HIS  19           HD2      HIS  19  -6.156  -8.404   3.937
  165    HE1  HIS  19           HE1      HIS  19  -7.051  -5.070   6.470
  166    HE2  HIS  19           HE2      HIS  19  -7.802  -7.433   5.735
  167    H    ILE  20           H        ILE  20  -6.437  -6.144   0.442
  168    HA   ILE  20           HA       ILE  20  -7.076  -9.037   0.054
  169    HB   ILE  20           HB       ILE  20  -9.020  -6.704  -0.108
  170   HG12  ILE  20          HG12      ILE  20  -8.454  -8.512   2.277
  171   HG13  ILE  20          HG13      ILE  20  -8.156  -6.773   2.170
  172   HG21  ILE  20          HG21      ILE  20  -9.468  -9.712   0.174
  173   HG22  ILE  20          HG22      ILE  20 -10.718  -8.468  -0.047
  174   HG23  ILE  20          HG23      ILE  20  -9.589  -8.810  -1.350
  175   HD11  ILE  20          HD11      ILE  20 -10.621  -6.397   1.881
  176   HD12  ILE  20          HD12      ILE  20 -10.871  -8.127   2.230
  177   HD13  ILE  20          HD13      ILE  20 -10.143  -7.074   3.452
  178    H    THR  21           H        THR  21  -7.532  -5.851  -1.602
  179    HA   THR  21           HA       THR  21  -7.686  -7.217  -4.191
  180    HB   THR  21           HB       THR  21  -8.262  -5.149  -5.180
  181    HG1  THR  21           HG1      THR  21  -8.100  -3.644  -2.880
  182   HG21  THR  21          HG21      THR  21 -10.057  -6.200  -3.825
  183   HG22  THR  21          HG22      THR  21  -9.599  -5.189  -2.439
  184   HG23  THR  21          HG23      THR  21 -10.213  -4.438  -3.928
  185    H    ASN  22           H        ASN  22  -5.060  -6.218  -2.401
  186    HA   ASN  22           HA       ASN  22  -2.900  -6.066  -2.734
  187    HB2  ASN  22           HB2      ASN  22  -3.766  -8.053  -4.804
  188    HB3  ASN  22           HB3      ASN  22  -2.060  -7.646  -4.612
  189   HD21  ASN  22          HD21      ASN  22  -4.920  -8.963  -2.727
  190   HD22  ASN  22          HD22      ASN  22  -3.830  -9.726  -1.580
  191    H    ALA  23           H        ALA  23  -4.576  -4.164  -4.756
  192    HA   ALA  23           HA       ALA  23  -2.405  -3.187  -6.363
  193    HB1  ALA  23           HB1      ALA  23  -4.758  -2.825  -6.917
  194    HB2  ALA  23           HB2      ALA  23  -4.975  -1.861  -5.438
  195    HB3  ALA  23           HB3      ALA  23  -3.911  -1.273  -6.739
  196    H    SER  24           H        SER  24  -0.542  -2.599  -5.392
  197    HA   SER  24           HA       SER  24  -0.368  -0.858  -3.054
  198    HB2  SER  24           HB2      SER  24   2.063  -0.894  -3.636
  199    HB3  SER  24           HB3      SER  24   1.393  -2.540  -3.544
  200    HG   SER  24           HG       SER  24   1.429  -1.075  -5.963
  201    H    GLN  25           H        GLN  25  -0.389   1.382  -3.093
  202    HA   GLN  25           HA       GLN  25   0.230   2.872  -5.557
  203    HB2  GLN  25           HB2      GLN  25  -2.083   3.747  -5.739
  204    HB3  GLN  25           HB3      GLN  25  -2.008   2.005  -5.976
  205    HG2  GLN  25           HG2      GLN  25  -2.609   1.874  -3.392
  206    HG3  GLN  25           HG3      GLN  25  -3.107   3.541  -3.616
  207   HE21  GLN  25          HE21      GLN  25  -3.899   0.155  -4.156
  208   HE22  GLN  25          HE22      GLN  25  -5.432   0.505  -4.959
  209    H    PHE  26           H        PHE  26   0.013   5.219  -5.311
  210    HA   PHE  26           HA       PHE  26   0.664   6.125  -2.584
  211    HB2  PHE  26           HB2      PHE  26   0.706   7.491  -5.288
  212    HB3  PHE  26           HB3      PHE  26   1.104   8.294  -3.774
  213    HD1  PHE  26           HD1      PHE  26   3.001   7.398  -2.319
  214    HD2  PHE  26           HD2      PHE  26   2.399   6.145  -6.403
  215    HE1  PHE  26           HE1      PHE  26   5.322   6.558  -2.403
  216    HE2  PHE  26           HE2      PHE  26   4.731   5.298  -6.480
  217    HZ   PHE  26           HZ       PHE  26   6.199   5.502  -4.484
  218    H    GLU  27           H        GLU  27  -2.215   6.160  -4.628
  219    HA   GLU  27           HA       GLU  27  -3.473   8.309  -3.090
  220    HB2  GLU  27           HB2      GLU  27  -4.685   6.229  -4.919
  221    HB3  GLU  27           HB3      GLU  27  -5.551   7.526  -4.057
  222    HG2  GLU  27           HG2      GLU  27  -4.041   9.181  -5.280
  223    HG3  GLU  27           HG3      GLU  27  -3.530   7.827  -6.306
  224    H    ARG  28           H        ARG  28  -4.031   8.087  -1.106
  225    HA   ARG  28           HA       ARG  28  -4.530   5.435   0.072
  226    HB2  ARG  28           HB2      ARG  28  -3.694   6.532   2.157
  227    HB3  ARG  28           HB3      ARG  28  -2.544   6.403   0.820
  228    HG2  ARG  28           HG2      ARG  28  -2.261   8.606   0.573
  229    HG3  ARG  28           HG3      ARG  28  -3.953   9.007   0.859
  230    HD2  ARG  28           HD2      ARG  28  -2.094   8.151   3.104
  231    HD3  ARG  28           HD3      ARG  28  -2.275   9.842   2.588
  232    HE   ARG  28           HE       ARG  28  -4.863   9.114   2.906
  233   HH11  ARG  28          HH11      ARG  28  -2.264   8.493   5.268
  234   HH12  ARG  28          HH12      ARG  28  -3.476   8.528   6.544
  235   HH21  ARG  28          HH21      ARG  28  -6.116   8.931   4.650
  236   HH22  ARG  28          HH22      ARG  28  -5.379   8.854   6.267
  237    HA   PRO  29           HA       PRO  29  -8.662   6.588   1.301
  238    HB2  PRO  29           HB2      PRO  29  -9.169   4.747   3.243
  239    HB3  PRO  29           HB3      PRO  29  -8.842   4.255   1.556
  240    HG2  PRO  29           HG2      PRO  29  -6.803   4.484   3.820
  241    HG3  PRO  29           HG3      PRO  29  -7.195   3.025   2.861
  242    HD2  PRO  29           HD2      PRO  29  -5.166   4.607   2.104
  243    HD3  PRO  29           HD3      PRO  29  -6.302   3.993   0.859
  244    H    SER  30           H        SER  30  -9.887   6.754   3.684
  245    HA   SER  30           HA       SER  30  -8.637   8.886   5.191
  246    HB2  SER  30           HB2      SER  30 -10.741   8.949   6.358
  247    HB3  SER  30           HB3      SER  30 -11.063   8.735   4.621
  248    HG   SER  30           HG       SER  30 -10.935   6.705   6.584
  249    H    GLY  31           H        GLY  31  -6.773   7.058   5.481
  250    HA2  GLY  31           HA2      GLY  31  -6.889   6.394   8.380
  251    HA3  GLY  31           HA3      GLY  31  -6.451   5.102   7.253
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1  -6.849   4.040  -6.980
    2    H2   LYS   1           H2       LYS   1  -7.378   5.552  -6.691
    3    H3   LYS   1           H3       LYS   1  -8.269   4.535  -7.670
    4    HA   LYS   1           HA       LYS   1  -7.677   3.954  -4.860
    5    HB2  LYS   1           HB2      LYS   1 -10.226   5.201  -5.979
    6    HB3  LYS   1           HB3      LYS   1 -10.086   4.477  -4.372
    7    HG2  LYS   1           HG2      LYS   1  -8.133   6.059  -3.931
    8    HG3  LYS   1           HG3      LYS   1  -8.602   6.877  -5.438
    9    HD2  LYS   1           HD2      LYS   1 -10.815   7.403  -4.505
   10    HD3  LYS   1           HD3      LYS   1 -10.426   6.495  -3.038
   11    HE2  LYS   1           HE2      LYS   1 -10.131   8.811  -2.523
   12    HE3  LYS   1           HE3      LYS   1  -8.535   8.065  -2.572
   13    HZ1  LYS   1           HZ1      LYS   1  -9.729   9.639  -4.794
   14    HZ2  LYS   1           HZ2      LYS   1  -8.580  10.193  -3.752
   15    HZ3  LYS   1           HZ3      LYS   1  -8.218   9.000  -4.806
   16    H    LEU   2           H        LEU   2  -9.251   2.359  -3.992
   17    HA   LEU   2           HA       LEU   2 -10.320   0.328  -5.810
   18    HB2  LEU   2           HB2      LEU   2  -8.177  -0.224  -3.694
   19    HB3  LEU   2           HB3      LEU   2  -9.043  -1.459  -4.564
   20    HG   LEU   2           HG       LEU   2  -7.167   0.531  -5.901
   21   HD11  LEU   2          HD11      LEU   2  -5.961  -0.944  -4.364
   22   HD12  LEU   2          HD12      LEU   2  -6.728  -2.373  -5.107
   23   HD13  LEU   2          HD13      LEU   2  -5.616  -1.348  -6.050
   24   HD21  LEU   2          HD21      LEU   2  -7.286  -1.051  -7.803
   25   HD22  LEU   2          HD22      LEU   2  -8.479  -2.034  -6.925
   26   HD23  LEU   2          HD23      LEU   2  -8.881  -0.383  -7.448
   27    HA   PRO   3           HA       PRO   3 -13.170  -0.063  -2.322
   28    HB2  PRO   3           HB2      PRO   3 -12.404  -2.974  -2.027
   29    HB3  PRO   3           HB3      PRO   3 -14.040  -2.238  -2.044
   30    HG2  PRO   3           HG2      PRO   3 -13.107  -3.451  -4.266
   31    HG3  PRO   3           HG3      PRO   3 -13.913  -1.852  -4.416
   32    HD2  PRO   3           HD2      PRO   3 -10.948  -2.464  -4.306
   33    HD3  PRO   3           HD3      PRO   3 -11.826  -1.411  -5.461
   34    HA   PRO   4           HA       PRO   4 -10.837   0.333   1.452
   35    HB2  PRO   4           HB2      PRO   4 -13.082  -1.055   2.911
   36    HB3  PRO   4           HB3      PRO   4 -12.267   0.495   3.298
   37    HG2  PRO   4           HG2      PRO   4 -14.681   0.536   2.104
   38    HG3  PRO   4           HG3      PRO   4 -13.379   1.608   1.482
   39    HD2  PRO   4           HD2      PRO   4 -14.227  -1.111   0.417
   40    HD3  PRO   4           HD3      PRO   4 -13.990   0.429  -0.467
   41    H    GLY   5           H        GLY   5 -10.217  -0.892   3.622
   42    HA2  GLY   5           HA2      GLY   5  -9.300  -2.782   4.672
   43    HA3  GLY   5           HA3      GLY   5  -9.699  -3.777   3.268
   44    H    TRP   6           H        TRP   6  -7.483  -1.160   4.338
   45    HA   TRP   6           HA       TRP   6  -5.363  -2.158   2.487
   46    HB2  TRP   6           HB2      TRP   6  -6.179   0.661   3.190
   47    HB3  TRP   6           HB3      TRP   6  -4.676   0.267   2.372
   48    HD1  TRP   6           HD1      TRP   6  -8.415  -0.375   1.673
   49    HE1  TRP   6           HE1      TRP   6  -8.927   0.196  -0.743
   50    HE3  TRP   6           HE3      TRP   6  -3.717   0.866   0.192
   51    HZ2  TRP   6           HZ2      TRP   6  -7.562   1.805  -2.787
   52    HZ3  TRP   6           HZ3      TRP   6  -3.331   1.922  -2.035
   53    HH2  TRP   6           HH2      TRP   6  -5.261   2.421  -3.513
   54    H    GLU   7           H        GLU   7  -3.179  -1.498   3.080
   55    HA   GLU   7           HA       GLU   7  -2.678  -0.635   5.842
   56    HB2  GLU   7           HB2      GLU   7  -2.367  -3.326   4.843
   57    HB3  GLU   7           HB3      GLU   7  -0.755  -2.678   5.105
   58    HG2  GLU   7           HG2      GLU   7  -2.958  -2.622   7.217
   59    HG3  GLU   7           HG3      GLU   7  -1.736  -3.888   7.082
   60    H    LYS   8           H        LYS   8  -0.418   0.058   6.126
   61    HA   LYS   8           HA       LYS   8   0.537   1.430   3.667
   62    HB2  LYS   8           HB2      LYS   8   1.873   2.865   5.189
   63    HB3  LYS   8           HB3      LYS   8   0.136   2.961   5.320
   64    HG2  LYS   8           HG2      LYS   8   0.999   3.175   7.462
   65    HG3  LYS   8           HG3      LYS   8   0.164   1.646   7.410
   66    HD2  LYS   8           HD2      LYS   8   3.166   1.713   6.958
   67    HD3  LYS   8           HD3      LYS   8   2.568   2.029   8.577
   68    HE2  LYS   8           HE2      LYS   8   1.998  -0.504   7.002
   69    HE3  LYS   8           HE3      LYS   8   3.231  -0.335   8.251
   70    HZ1  LYS   8           HZ1      LYS   8   1.080  -1.334   8.976
   71    HZ2  LYS   8           HZ2      LYS   8   1.400   0.077   9.846
   72    HZ3  LYS   8           HZ3      LYS   8   0.301  -0.070   8.577
   73    H    ARG   9           H        ARG   9   2.650   1.720   3.060
   74    HA   ARG   9           HA       ARG   9   4.733  -0.195   3.979
   75    HB2  ARG   9           HB2      ARG   9   3.851   0.227   1.093
   76    HB3  ARG   9           HB3      ARG   9   5.305  -0.643   1.587
   77    HG2  ARG   9           HG2      ARG   9   3.867  -2.387   2.692
   78    HG3  ARG   9           HG3      ARG   9   2.428  -1.531   2.062
   79    HD2  ARG   9           HD2      ARG   9   3.475  -1.603  -0.200
   80    HD3  ARG   9           HD3      ARG   9   4.750  -2.664   0.427
   81    HE   ARG   9           HE       ARG   9   2.443  -4.038   1.005
   82   HH11  ARG   9          HH11      ARG   9   3.724  -2.614  -1.968
   83   HH12  ARG   9          HH12      ARG   9   2.347  -3.206  -2.885
   84   HH21  ARG   9          HH21      ARG   9   1.070  -5.198  -0.422
   85   HH22  ARG   9          HH22      ARG   9   1.205  -4.954  -2.140
   86    H    MET  10           H        MET  10   6.916   0.496   2.997
   87    HA   MET  10           HA       MET  10   6.989   3.362   2.178
   88    HB2  MET  10           HB2      MET  10   8.718   1.849   4.137
   89    HB3  MET  10           HB3      MET  10   9.322   3.287   3.287
   90    HG2  MET  10           HG2      MET  10   7.409   4.606   4.117
   91    HG3  MET  10           HG3      MET  10   6.824   3.202   5.019
   92    HE1  MET  10           HE1      MET  10   8.075   5.753   7.750
   93    HE2  MET  10           HE2      MET  10   7.374   6.169   6.170
   94    HE3  MET  10           HE3      MET  10   6.686   4.832   7.127
   95    H    SER  11           H        SER  11   8.562   3.953   0.713
   96    HA   SER  11           HA       SER  11   9.848   1.747  -0.841
   97    HB2  SER  11           HB2      SER  11   7.549   2.469  -1.735
   98    HB3  SER  11           HB3      SER  11   8.331   3.980  -2.215
   99    HG   SER  11           HG       SER  11   8.373   2.338  -3.859
  100    H    CFD  12           H        CFD  12  11.175   3.309   0.961
  101    HA   CFD  12           HA       CFD  12  12.833   5.146  -0.697
  102   H1G1  CFD  12          H1G       CFD  12  12.863   7.302  -0.178
  103    HD   CFD  12           HD       CFD  12  12.642   8.305   2.608
  104    H    ARG  13           H        ARG  13  10.195   7.244   0.445
  105    HA   ARG  13           HA       ARG  13   8.065   8.778   1.769
  106    HB2  ARG  13           HB2      ARG  13   7.004   8.932  -0.300
  107    HB3  ARG  13           HB3      ARG  13   8.730   9.217  -0.587
  108    HG2  ARG  13           HG2      ARG  13   7.301   6.591  -1.169
  109    HG3  ARG  13           HG3      ARG  13   7.512   7.881  -2.342
  110    HD2  ARG  13           HD2      ARG  13   9.762   6.320  -1.026
  111    HD3  ARG  13           HD3      ARG  13   9.162   6.124  -2.674
  112    HE   ARG  13           HE       ARG  13   9.911   8.846  -2.260
  113   HH11  ARG  13          HH11      ARG  13  11.467   5.709  -2.774
  114   HH12  ARG  13          HH12      ARG  13  12.817   6.432  -3.616
  115   HH21  ARG  13          HH21      ARG  13  11.710   9.695  -3.277
  116   HH22  ARG  13          HH22      ARG  13  12.969   8.637  -3.833
  117    H    VAL  14           H        VAL  14   6.043   7.996   1.994
  118    HA   VAL  14           HA       VAL  14   5.748   5.105   2.562
  119    HB   VAL  14           HB       VAL  14   5.340   6.762   4.378
  120   HG11  VAL  14          HG11      VAL  14   3.307   8.096   4.427
  121   HG12  VAL  14          HG12      VAL  14   4.290   8.583   3.043
  122   HG13  VAL  14          HG13      VAL  14   2.859   7.561   2.798
  123   HG21  VAL  14          HG21      VAL  14   2.907   5.107   3.613
  124   HG22  VAL  14          HG22      VAL  14   4.330   4.559   4.532
  125   HG23  VAL  14          HG23      VAL  14   3.259   5.786   5.211
  126    H    TYR  15           H        TYR  15   3.995   3.933   1.699
  127    HA   TYR  15           HA       TYR  15   2.124   5.266  -0.100
  128    HB2  TYR  15           HB2      TYR  15   2.505   4.047  -2.019
  129    HB3  TYR  15           HB3      TYR  15   4.089   4.571  -1.512
  130    HD1  TYR  15           HD1      TYR  15   5.603   2.842  -0.257
  131    HD2  TYR  15           HD2      TYR  15   2.091   1.799  -2.531
  132    HE1  TYR  15           HE1      TYR  15   6.526   0.560  -0.630
  133    HE2  TYR  15           HE2      TYR  15   3.045  -0.474  -2.927
  134    HH   TYR  15           HH       TYR  15   6.221  -1.456  -1.708
  135    H    TYR  16           H        TYR  16   0.443   3.501  -0.908
  136    HA   TYR  16           HA       TYR  16  -0.307   1.981   1.542
  137    HB2  TYR  16           HB2      TYR  16  -1.345   4.354   0.851
  138    HB3  TYR  16           HB3      TYR  16  -2.301   3.353  -0.224
  139    HD1  TYR  16           HD1      TYR  16  -1.158   2.845   3.356
  140    HD2  TYR  16           HD2      TYR  16  -4.455   3.434   0.661
  141    HE1  TYR  16           HE1      TYR  16  -2.743   2.496   5.240
  142    HE2  TYR  16           HE2      TYR  16  -6.049   3.110   2.548
  143    HH   TYR  16           HH       TYR  16  -6.327   2.840   4.829
  144    H    PHE  17           H        PHE  17  -1.298   0.059   1.351
  145    HA   PHE  17           HA       PHE  17  -1.610  -1.095  -1.376
  146    HB2  PHE  17           HB2      PHE  17   0.020  -2.456  -0.981
  147    HB3  PHE  17           HB3      PHE  17   0.410  -1.608   0.508
  148    HD1  PHE  17           HD1      PHE  17  -1.413  -4.487  -0.971
  149    HD2  PHE  17           HD2      PHE  17   0.025  -2.679   2.666
  150    HE1  PHE  17           HE1      PHE  17  -1.822  -6.611   0.249
  151    HE2  PHE  17           HE2      PHE  17  -0.410  -4.806   3.884
  152    HZ   PHE  17           HZ       PHE  17  -1.369  -6.766   2.660
  153    H    ASN  18           H        ASN  18  -3.197  -2.568  -1.717
  154    HA   ASN  18           HA       ASN  18  -5.418  -2.478   0.234
  155    HB2  ASN  18           HB2      ASN  18  -5.682  -2.241  -2.286
  156    HB3  ASN  18           HB3      ASN  18  -5.285  -3.939  -2.436
  157   HD21  ASN  18          HD21      ASN  18  -7.760  -1.663  -1.295
  158   HD22  ASN  18          HD22      ASN  18  -8.943  -2.889  -0.915
  159    H    HIS  19           H        HIS  19  -5.706  -4.088   1.820
  160    HA   HIS  19           HA       HIS  19  -3.918  -6.441   1.603
  161    HB2  HIS  19           HB2      HIS  19  -4.129  -6.787   3.884
  162    HB3  HIS  19           HB3      HIS  19  -3.858  -5.072   3.636
  163    HD1  HIS  19           HD1      HIS  19  -7.072  -7.195   3.861
  164    HD2  HIS  19           HD2      HIS  19  -5.139  -3.879   5.584
  165    HE1  HIS  19           HE1      HIS  19  -8.698  -6.259   5.681
  166    HE2  HIS  19           HE2      HIS  19  -7.467  -4.229   6.721
  167    H    ILE  20           H        ILE  20  -6.511  -6.086  -0.004
  168    HA   ILE  20           HA       ILE  20  -7.404  -8.907   0.398
  169    HB   ILE  20           HB       ILE  20  -9.046  -6.688  -0.869
  170   HG12  ILE  20          HG12      ILE  20  -9.119  -7.528   2.053
  171   HG13  ILE  20          HG13      ILE  20  -8.626  -5.953   1.407
  172   HG21  ILE  20          HG21      ILE  20  -9.853  -9.376   0.318
  173   HG22  ILE  20          HG22      ILE  20 -10.900  -8.249  -0.572
  174   HG23  ILE  20          HG23      ILE  20  -9.590  -9.070  -1.411
  175   HD11  ILE  20          HD11      ILE  20 -10.838  -5.725   2.281
  176   HD12  ILE  20          HD12      ILE  20 -10.930  -5.610   0.513
  177   HD13  ILE  20          HD13      ILE  20 -11.435  -7.103   1.348
  178    H    THR  21           H        THR  21  -7.088  -6.280  -2.019
  179    HA   THR  21           HA       THR  21  -6.777  -8.149  -4.256
  180    HB   THR  21           HB       THR  21  -6.557  -5.118  -4.324
  181    HG1  THR  21           HG1      THR  21  -8.924  -6.658  -4.338
  182   HG21  THR  21          HG21      THR  21  -7.612  -7.163  -6.331
  183   HG22  THR  21          HG22      THR  21  -7.772  -5.399  -6.502
  184   HG23  THR  21          HG23      THR  21  -6.171  -6.138  -6.506
  185    H    ASN  22           H        ASN  22  -4.600  -6.797  -2.065
  186    HA   ASN  22           HA       ASN  22  -2.515  -6.318  -1.870
  187    HB2  ASN  22           HB2      ASN  22  -2.260  -8.566  -3.858
  188    HB3  ASN  22           HB3      ASN  22  -0.939  -7.988  -2.821
  189   HD21  ASN  22          HD21      ASN  22  -1.919 -10.691  -2.800
  190   HD22  ASN  22          HD22      ASN  22  -2.632 -10.918  -1.204
  191    H    ALA  23           H        ALA  23  -3.632  -5.531  -4.925
  192    HA   ALA  23           HA       ALA  23  -1.501  -4.142  -6.073
  193    HB1  ALA  23           HB1      ALA  23  -3.306  -2.713  -7.048
  194    HB2  ALA  23           HB2      ALA  23  -3.686  -4.444  -7.127
  195    HB3  ALA  23           HB3      ALA  23  -4.457  -3.427  -5.892
  196    H    SER  24           H        SER  24  -1.119  -1.707  -6.104
  197    HA   SER  24           HA       SER  24  -1.437  -0.426  -3.456
  198    HB2  SER  24           HB2      SER  24   1.358  -0.861  -4.511
  199    HB3  SER  24           HB3      SER  24   0.819  -0.453  -2.869
  200    HG   SER  24           HG       SER  24  -0.258  -2.723  -3.254
  201    H    GLN  25           H        GLN  25  -0.819   1.742  -3.338
  202    HA   GLN  25           HA       GLN  25   0.383   3.197  -5.495
  203    HB2  GLN  25           HB2      GLN  25  -1.551   4.553  -6.170
  204    HB3  GLN  25           HB3      GLN  25  -1.749   2.878  -6.641
  205    HG2  GLN  25           HG2      GLN  25  -3.296   2.448  -4.811
  206    HG3  GLN  25           HG3      GLN  25  -3.040   4.066  -4.150
  207   HE21  GLN  25          HE21      GLN  25  -3.160   5.544  -6.691
  208   HE22  GLN  25          HE22      GLN  25  -4.902   5.678  -6.852
  209    H    PHE  26           H        PHE  26  -0.264   5.772  -5.002
  210    HA   PHE  26           HA       PHE  26   0.395   6.160  -2.152
  211    HB2  PHE  26           HB2      PHE  26   0.238   8.030  -4.526
  212    HB3  PHE  26           HB3      PHE  26   0.666   8.540  -2.897
  213    HD1  PHE  26           HD1      PHE  26   2.765   7.737  -1.780
  214    HD2  PHE  26           HD2      PHE  26   1.886   6.830  -5.912
  215    HE1  PHE  26           HE1      PHE  26   5.103   7.060  -2.132
  216    HE2  PHE  26           HE2      PHE  26   4.248   6.154  -6.256
  217    HZ   PHE  26           HZ       PHE  26   5.864   6.265  -4.370
  218    H    GLU  27           H        GLU  27  -2.525   6.260  -4.020
  219    HA   GLU  27           HA       GLU  27  -3.932   8.185  -2.366
  220    HB2  GLU  27           HB2      GLU  27  -4.987   5.984  -4.167
  221    HB3  GLU  27           HB3      GLU  27  -5.972   7.219  -3.395
  222    HG2  GLU  27           HG2      GLU  27  -4.710   8.979  -4.657
  223    HG3  GLU  27           HG3      GLU  27  -3.905   7.688  -5.571
  224    H    ARG  28           H        ARG  28  -5.585   7.819  -0.893
  225    HA   ARG  28           HA       ARG  28  -5.859   5.107   0.300
  226    HB2  ARG  28           HB2      ARG  28  -4.599   6.409   1.795
  227    HB3  ARG  28           HB3      ARG  28  -5.684   7.799   1.670
  228    HG2  ARG  28           HG2      ARG  28  -7.351   6.796   2.988
  229    HG3  ARG  28           HG3      ARG  28  -6.749   5.162   2.699
  230    HD2  ARG  28           HD2      ARG  28  -4.646   5.814   3.981
  231    HD3  ARG  28           HD3      ARG  28  -5.468   7.333   4.401
  232    HE   ARG  28           HE       ARG  28  -6.964   4.869   5.043
  233   HH11  ARG  28          HH11      ARG  28  -4.400   6.917   6.275
  234   HH12  ARG  28          HH12      ARG  28  -4.661   6.418   7.929
  235   HH21  ARG  28          HH21      ARG  28  -7.359   4.371   7.147
  236   HH22  ARG  28          HH22      ARG  28  -6.292   4.954   8.419
  237    HA   PRO  29           HA       PRO  29 -10.193   5.920  -0.753
  238    HB2  PRO  29           HB2      PRO  29 -10.430   3.167   0.411
  239    HB3  PRO  29           HB3      PRO  29 -11.214   3.874  -1.044
  240    HG2  PRO  29           HG2      PRO  29  -9.137   2.302  -1.345
  241    HG3  PRO  29           HG3      PRO  29  -9.123   3.854  -2.237
  242    HD2  PRO  29           HD2      PRO  29  -7.779   3.257   0.441
  243    HD3  PRO  29           HD3      PRO  29  -7.052   3.957  -1.045
  244    H    SER  30           H        SER  30 -12.281   4.996   0.800
  245    HA   SER  30           HA       SER  30 -12.083   6.216   3.428
  246    HB2  SER  30           HB2      SER  30 -14.413   5.574   3.608
  247    HB3  SER  30           HB3      SER  30 -14.122   6.216   1.971
  248    HG   SER  30           HG       SER  30 -14.053   3.497   2.719
  249    H    GLY  31           H        GLY  31 -10.072   4.759   3.752
  250    HA2  GLY  31           HA2      GLY  31 -10.672   2.536   5.577
  251    HA3  GLY  31           HA3      GLY  31  -9.878   2.064   4.061
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1  -6.480   4.762  -5.738
    2    H2   LYS   1           H2       LYS   1  -6.772   6.285  -5.153
    3    H3   LYS   1           H3       LYS   1  -7.882   5.540  -6.138
    4    HA   LYS   1           HA       LYS   1  -7.071   4.324  -3.632
    5    HB2  LYS   1           HB2      LYS   1  -9.057   5.316  -2.508
    6    HB3  LYS   1           HB3      LYS   1  -7.747   6.431  -2.864
    7    HG2  LYS   1           HG2      LYS   1  -9.048   7.256  -4.871
    8    HG3  LYS   1           HG3      LYS   1 -10.358   6.166  -4.426
    9    HD2  LYS   1           HD2      LYS   1 -10.773   8.498  -3.701
   10    HD3  LYS   1           HD3      LYS   1 -10.748   7.366  -2.353
   11    HE2  LYS   1           HE2      LYS   1  -9.592   9.469  -1.776
   12    HE3  LYS   1           HE3      LYS   1  -8.506   8.080  -1.712
   13    HZ1  LYS   1           HZ1      LYS   1  -8.560  10.141  -3.834
   14    HZ2  LYS   1           HZ2      LYS   1  -7.276   9.679  -2.860
   15    HZ3  LYS   1           HZ3      LYS   1  -7.725   8.705  -3.969
   16    H    LEU   2           H        LEU   2  -8.836   2.920  -2.783
   17    HA   LEU   2           HA       LEU   2 -10.458   1.569  -4.815
   18    HB2  LEU   2           HB2      LEU   2  -8.045   0.317  -3.406
   19    HB3  LEU   2           HB3      LEU   2  -9.219  -0.600  -4.301
   20    HG   LEU   2           HG       LEU   2  -7.421   1.508  -5.560
   21   HD11  LEU   2          HD11      LEU   2  -6.117  -0.369  -4.715
   22   HD12  LEU   2          HD12      LEU   2  -7.214  -1.521  -5.507
   23   HD13  LEU   2          HD13      LEU   2  -6.212  -0.430  -6.486
   24   HD21  LEU   2          HD21      LEU   2  -8.128   0.446  -7.684
   25   HD22  LEU   2          HD22      LEU   2  -9.242  -0.614  -6.796
   26   HD23  LEU   2          HD23      LEU   2  -9.512   1.144  -6.841
   27    HA   PRO   3           HA       PRO   3 -12.915   0.337  -1.286
   28    HB2  PRO   3           HB2      PRO   3 -12.576  -2.515  -2.254
   29    HB3  PRO   3           HB3      PRO   3 -14.079  -1.682  -1.743
   30    HG2  PRO   3           HG2      PRO   3 -13.577  -1.959  -4.359
   31    HG3  PRO   3           HG3      PRO   3 -14.121  -0.360  -3.741
   32    HD2  PRO   3           HD2      PRO   3 -11.305  -1.285  -4.356
   33    HD3  PRO   3           HD3      PRO   3 -12.119   0.239  -4.827
   34    HA   PRO   4           HA       PRO   4 -10.760  -0.875   2.251
   35    HB2  PRO   4           HB2      PRO   4 -12.691  -3.134   2.814
   36    HB3  PRO   4           HB3      PRO   4 -12.096  -1.857   3.925
   37    HG2  PRO   4           HG2      PRO   4 -14.516  -1.580   2.796
   38    HG3  PRO   4           HG3      PRO   4 -13.392  -0.176   2.793
   39    HD2  PRO   4           HD2      PRO   4 -13.926  -2.166   0.569
   40    HD3  PRO   4           HD3      PRO   4 -13.869  -0.379   0.495
   41    H    GLY   5           H        GLY   5  -9.947  -2.756   3.780
   42    HA2  GLY   5           HA2      GLY   5  -8.712  -4.788   3.964
   43    HA3  GLY   5           HA3      GLY   5  -8.584  -4.880   2.204
   44    H    TRP   6           H        TRP   6  -7.901  -1.738   3.478
   45    HA   TRP   6           HA       TRP   6  -5.302  -1.868   2.309
   46    HB2  TRP   6           HB2      TRP   6  -6.717   0.344   3.806
   47    HB3  TRP   6           HB3      TRP   6  -5.124   0.473   3.040
   48    HD1  TRP   6           HD1      TRP   6  -8.814   0.403   2.056
   49    HE1  TRP   6           HE1      TRP   6  -8.998   1.144  -0.401
   50    HE3  TRP   6           HE3      TRP   6  -3.883   0.293   0.878
   51    HZ2  TRP   6           HZ2      TRP   6  -7.091   2.164  -2.388
   52    HZ3  TRP   6           HZ3      TRP   6  -3.089   1.037  -1.385
   53    HH2  TRP   6           HH2      TRP   6  -4.697   1.996  -2.994
   54    H    GLU   7           H        GLU   7  -3.369  -1.336   3.021
   55    HA   GLU   7           HA       GLU   7  -2.583  -1.260   5.866
   56    HB2  GLU   7           HB2      GLU   7  -1.770  -3.187   3.672
   57    HB3  GLU   7           HB3      GLU   7  -0.598  -2.688   4.891
   58    HG2  GLU   7           HG2      GLU   7  -2.285  -3.506   6.647
   59    HG3  GLU   7           HG3      GLU   7  -3.148  -4.268   5.288
   60    H    LYS   8           H        LYS   8  -0.320  -0.394   6.013
   61    HA   LYS   8           HA       LYS   8   0.353   1.433   3.748
   62    HB2  LYS   8           HB2      LYS   8   0.994   2.015   6.642
   63    HB3  LYS   8           HB3      LYS   8   0.972   3.119   5.245
   64    HG2  LYS   8           HG2      LYS   8  -1.511   2.720   5.055
   65    HG3  LYS   8           HG3      LYS   8  -1.436   1.787   6.563
   66    HD2  LYS   8           HD2      LYS   8  -0.629   3.802   7.772
   67    HD3  LYS   8           HD3      LYS   8  -0.733   4.727   6.254
   68    HE2  LYS   8           HE2      LYS   8  -3.170   3.915   6.107
   69    HE3  LYS   8           HE3      LYS   8  -3.011   3.369   7.781
   70    HZ1  LYS   8           HZ1      LYS   8  -2.606   5.674   8.417
   71    HZ2  LYS   8           HZ2      LYS   8  -2.596   6.134   6.809
   72    HZ3  LYS   8           HZ3      LYS   8  -3.976   5.625   7.451
   73    H    ARG   9           H        ARG   9   2.528   1.890   3.299
   74    HA   ARG   9           HA       ARG   9   4.617  -0.007   4.241
   75    HB2  ARG   9           HB2      ARG   9   3.602   0.336   1.381
   76    HB3  ARG   9           HB3      ARG   9   5.103  -0.492   1.795
   77    HG2  ARG   9           HG2      ARG   9   2.315  -1.413   2.614
   78    HG3  ARG   9           HG3      ARG   9   3.284  -2.059   1.291
   79    HD2  ARG   9           HD2      ARG   9   5.043  -2.766   2.862
   80    HD3  ARG   9           HD3      ARG   9   4.134  -2.118   4.225
   81    HE   ARG   9           HE       ARG   9   3.555  -4.561   2.685
   82   HH11  ARG   9          HH11      ARG   9   2.226  -2.343   5.195
   83   HH12  ARG   9          HH12      ARG   9   1.193  -3.692   5.762
   84   HH21  ARG   9          HH21      ARG   9   2.073  -6.059   3.619
   85   HH22  ARG   9          HH22      ARG   9   1.090  -5.467   4.976
   86    H    MET  10           H        MET  10   6.755   0.494   3.320
   87    HA   MET  10           HA       MET  10   7.129   3.424   2.895
   88    HB2  MET  10           HB2      MET  10   8.848   1.408   4.362
   89    HB3  MET  10           HB3      MET  10   9.289   3.100   4.075
   90    HG2  MET  10           HG2      MET  10   6.990   2.047   5.762
   91    HG3  MET  10           HG3      MET  10   8.452   2.827   6.344
   92    HE1  MET  10           HE1      MET  10   8.829   5.395   4.529
   93    HE2  MET  10           HE2      MET  10   7.890   6.588   5.449
   94    HE3  MET  10           HE3      MET  10   8.909   5.410   6.308
   95    H    SER  11           H        SER  11   8.663   4.107   1.503
   96    HA   SER  11           HA       SER  11  10.025   2.155  -0.300
   97    HB2  SER  11           HB2      SER  11   8.250   2.765  -1.676
   98    HB3  SER  11           HB3      SER  11   8.145   4.393  -1.008
   99    HG   SER  11           HG       SER  11  10.441   4.462  -1.931
  100    H    CFD  12           H        CFD  12  11.253   3.129   1.911
  101    HA   CFD  12           HA       CFD  12  13.465   4.643   0.811
  102   H1G1  CFD  12          H1G       CFD  12  13.157   6.812   0.416
  103    HD   CFD  12           HD       CFD  12  12.494   8.635   2.742
  104    H    ARG  13           H        ARG  13  10.524   6.765   0.877
  105    HA   ARG  13           HA       ARG  13   8.225   8.693   0.880
  106    HB2  ARG  13           HB2      ARG  13   8.951   6.428  -0.991
  107    HB3  ARG  13           HB3      ARG  13   7.343   7.175  -0.984
  108    HG2  ARG  13           HG2      ARG  13   8.420   9.385  -1.437
  109    HG3  ARG  13           HG3      ARG  13   9.974   8.548  -1.645
  110    HD2  ARG  13           HD2      ARG  13   7.440   8.238  -3.308
  111    HD3  ARG  13           HD3      ARG  13   8.999   8.901  -3.830
  112    HE   ARG  13           HE       ARG  13   9.231   6.157  -2.896
  113   HH11  ARG  13          HH11      ARG  13   8.283   7.950  -5.758
  114   HH12  ARG  13          HH12      ARG  13   8.516   6.572  -6.802
  115   HH21  ARG  13          HH21      ARG  13   9.442   4.473  -4.172
  116   HH22  ARG  13          HH22      ARG  13   9.234   4.606  -5.913
  117    H    VAL  14           H        VAL  14   6.164   7.828   1.048
  118    HA   VAL  14           HA       VAL  14   5.808   5.236   2.462
  119    HB   VAL  14           HB       VAL  14   5.552   7.023   4.097
  120   HG11  VAL  14          HG11      VAL  14   3.745   8.674   3.985
  121   HG12  VAL  14          HG12      VAL  14   4.877   8.908   2.651
  122   HG13  VAL  14          HG13      VAL  14   3.308   8.129   2.355
  123   HG21  VAL  14          HG21      VAL  14   2.832   5.843   3.391
  124   HG22  VAL  14          HG22      VAL  14   4.119   5.015   4.296
  125   HG23  VAL  14          HG23      VAL  14   3.358   6.460   4.969
  126    H    TYR  15           H        TYR  15   4.025   4.020   1.754
  127    HA   TYR  15           HA       TYR  15   2.151   5.182  -0.177
  128    HB2  TYR  15           HB2      TYR  15   2.536   3.665  -1.931
  129    HB3  TYR  15           HB3      TYR  15   4.087   4.354  -1.514
  130    HD1  TYR  15           HD1      TYR  15   5.863   2.989  -0.488
  131    HD2  TYR  15           HD2      TYR  15   2.071   1.288  -1.615
  132    HE1  TYR  15           HE1      TYR  15   6.887   0.718  -0.501
  133    HE2  TYR  15           HE2      TYR  15   3.085  -0.993  -1.591
  134    HH   TYR  15           HH       TYR  15   6.537  -1.513  -0.840
  135    H    TYR  16           H        TYR  16   0.403   3.520  -0.756
  136    HA   TYR  16           HA       TYR  16  -0.211   1.855   1.669
  137    HB2  TYR  16           HB2      TYR  16  -1.992   3.562  -0.084
  138    HB3  TYR  16           HB3      TYR  16  -2.594   2.238   0.887
  139    HD1  TYR  16           HD1      TYR  16   0.012   4.689   2.121
  140    HD2  TYR  16           HD2      TYR  16  -4.084   3.342   2.250
  141    HE1  TYR  16           HE1      TYR  16  -0.432   6.249   3.963
  142    HE2  TYR  16           HE2      TYR  16  -4.562   5.016   4.025
  143    HH   TYR  16           HH       TYR  16  -3.793   6.974   5.027
  144    H    PHE  17           H        PHE  17  -1.069  -0.178   1.367
  145    HA   PHE  17           HA       PHE  17  -1.470  -1.205  -1.383
  146    HB2  PHE  17           HB2      PHE  17   0.472  -2.252  -1.244
  147    HB3  PHE  17           HB3      PHE  17   0.668  -1.873   0.474
  148    HD1  PHE  17           HD1      PHE  17  -0.195  -3.388   2.198
  149    HD2  PHE  17           HD2      PHE  17  -0.363  -4.437  -1.974
  150    HE1  PHE  17           HE1      PHE  17  -0.827  -5.704   2.818
  151    HE2  PHE  17           HE2      PHE  17  -0.875  -6.792  -1.355
  152    HZ   PHE  17           HZ       PHE  17  -1.098  -7.434   1.020
  153    H    ASN  18           H        ASN  18  -2.844  -2.979  -1.521
  154    HA   ASN  18           HA       ASN  18  -4.732  -3.172   0.805
  155    HB2  ASN  18           HB2      ASN  18  -5.447  -2.158  -1.394
  156    HB3  ASN  18           HB3      ASN  18  -5.308  -3.754  -2.102
  157   HD21  ASN  18          HD21      ASN  18  -7.710  -1.798  -1.190
  158   HD22  ASN  18          HD22      ASN  18  -8.773  -2.960  -0.430
  159    H    HIS  19           H        HIS  19  -4.865  -4.993   1.952
  160    HA   HIS  19           HA       HIS  19  -3.382  -7.365   1.196
  161    HB2  HIS  19           HB2      HIS  19  -3.877  -6.327   3.528
  162    HB3  HIS  19           HB3      HIS  19  -5.432  -7.142   3.428
  163    HD1  HIS  19           HD1      HIS  19  -2.115  -7.593   4.747
  164    HD2  HIS  19           HD2      HIS  19  -4.975 -10.067   2.859
  165    HE1  HIS  19           HE1      HIS  19  -1.473 -10.039   5.322
  166    HE2  HIS  19           HE2      HIS  19  -3.232 -11.533   4.154
  167    H    ILE  20           H        ILE  20  -6.664  -6.331   0.611
  168    HA   ILE  20           HA       ILE  20  -7.565  -9.089  -0.056
  169    HB   ILE  20           HB       ILE  20  -9.154  -6.500   0.130
  170   HG12  ILE  20          HG12      ILE  20  -8.902  -8.812   2.108
  171   HG13  ILE  20          HG13      ILE  20  -8.251  -7.188   2.324
  172   HG21  ILE  20          HG21      ILE  20 -10.131  -8.195  -1.431
  173   HG22  ILE  20          HG22      ILE  20 -10.085  -9.399  -0.127
  174   HG23  ILE  20          HG23      ILE  20 -11.129  -7.966  -0.008
  175   HD11  ILE  20          HD11      ILE  20 -10.241  -7.311   3.621
  176   HD12  ILE  20          HD12      ILE  20 -10.608  -6.282   2.220
  177   HD13  ILE  20          HD13      ILE  20 -11.185  -7.967   2.277
  178    H    THR  21           H        THR  21  -7.651  -5.788  -1.553
  179    HA   THR  21           HA       THR  21  -8.150  -7.015  -4.170
  180    HB   THR  21           HB       THR  21  -8.333  -4.832  -5.092
  181    HG1  THR  21           HG1      THR  21  -7.930  -3.489  -2.726
  182   HG21  THR  21          HG21      THR  21 -10.273  -5.625  -3.764
  183   HG22  THR  21          HG22      THR  21  -9.638  -4.786  -2.332
  184   HG23  THR  21          HG23      THR  21 -10.127  -3.859  -3.767
  185    H    ASN  22           H        ASN  22  -5.295  -6.383  -2.463
  186    HA   ASN  22           HA       ASN  22  -3.131  -6.411  -2.968
  187    HB2  ASN  22           HB2      ASN  22  -4.272  -8.663  -4.604
  188    HB3  ASN  22           HB3      ASN  22  -2.528  -8.413  -4.404
  189   HD21  ASN  22          HD21      ASN  22  -5.550  -9.188  -2.581
  190   HD22  ASN  22          HD22      ASN  22  -4.668  -9.560  -1.104
  191    H    ALA  23           H        ALA  23  -4.128  -4.281  -4.040
  192    HA   ALA  23           HA       ALA  23  -2.112  -3.740  -6.160
  193    HB1  ALA  23           HB1      ALA  23  -4.840  -2.453  -5.755
  194    HB2  ALA  23           HB2      ALA  23  -3.624  -1.924  -6.942
  195    HB3  ALA  23           HB3      ALA  23  -4.377  -3.525  -7.090
  196    H    SER  24           H        SER  24  -1.378  -1.376  -6.014
  197    HA   SER  24           HA       SER  24  -1.418  -0.264  -3.281
  198    HB2  SER  24           HB2      SER  24   1.019  -0.087  -3.226
  199    HB3  SER  24           HB3      SER  24   0.543  -1.787  -3.419
  200    HG   SER  24           HG       SER  24   2.228  -1.144  -4.865
  201    H    GLN  25           H        GLN  25  -0.522   1.942  -3.181
  202    HA   GLN  25           HA       GLN  25   0.334   3.356  -5.481
  203    HB2  GLN  25           HB2      GLN  25  -1.565   5.064  -5.572
  204    HB3  GLN  25           HB3      GLN  25  -1.795   3.555  -6.392
  205    HG2  GLN  25           HG2      GLN  25  -2.865   3.305  -3.684
  206    HG3  GLN  25           HG3      GLN  25  -3.429   4.799  -4.405
  207   HE21  GLN  25          HE21      GLN  25  -2.859   1.613  -6.107
  208   HE22  GLN  25          HE22      GLN  25  -4.568   1.485  -6.543
  209    H    PHE  26           H        PHE  26   0.764   5.643  -5.056
  210    HA   PHE  26           HA       PHE  26   1.607   6.104  -2.289
  211    HB2  PHE  26           HB2      PHE  26   1.920   7.727  -4.843
  212    HB3  PHE  26           HB3      PHE  26   2.608   8.164  -3.286
  213    HD1  PHE  26           HD1      PHE  26   2.841   5.784  -6.126
  214    HD2  PHE  26           HD2      PHE  26   4.503   6.967  -2.329
  215    HE1  PHE  26           HE1      PHE  26   4.784   4.292  -6.509
  216    HE2  PHE  26           HE2      PHE  26   6.445   5.470  -2.716
  217    HZ   PHE  26           HZ       PHE  26   6.573   4.108  -4.795
  218    H    GLU  27           H        GLU  27  -1.133   7.046  -4.242
  219    HA   GLU  27           HA       GLU  27  -1.899   9.162  -2.337
  220    HB2  GLU  27           HB2      GLU  27  -3.223  10.032  -3.919
  221    HB3  GLU  27           HB3      GLU  27  -2.107   9.196  -4.958
  222    HG2  GLU  27           HG2      GLU  27  -4.118   8.653  -5.918
  223    HG3  GLU  27           HG3      GLU  27  -3.800   7.219  -4.949
  224    H    ARG  28           H        ARG  28  -3.794   9.000  -1.020
  225    HA   ARG  28           HA       ARG  28  -4.224   6.186  -0.231
  226    HB2  ARG  28           HB2      ARG  28  -4.321   6.966   2.045
  227    HB3  ARG  28           HB3      ARG  28  -2.861   7.539   1.230
  228    HG2  ARG  28           HG2      ARG  28  -4.121   9.768   0.876
  229    HG3  ARG  28           HG3      ARG  28  -5.335   9.123   1.997
  230    HD2  ARG  28           HD2      ARG  28  -3.453   8.772   3.672
  231    HD3  ARG  28           HD3      ARG  28  -2.368   9.583   2.548
  232    HE   ARG  28           HE       ARG  28  -3.398  11.639   2.995
  233   HH11  ARG  28          HH11      ARG  28  -5.117   9.077   4.805
  234   HH12  ARG  28          HH12      ARG  28  -6.329  10.195   5.331
  235   HH21  ARG  28          HH21      ARG  28  -4.844  13.038   4.043
  236   HH22  ARG  28          HH22      ARG  28  -5.994  12.372   5.172
  237    HA   PRO  29           HA       PRO  29  -8.723   6.488  -0.399
  238    HB2  PRO  29           HB2      PRO  29  -9.430   4.434   1.224
  239    HB3  PRO  29           HB3      PRO  29  -8.546   4.141  -0.298
  240    HG2  PRO  29           HG2      PRO  29  -7.294   4.556   2.466
  241    HG3  PRO  29           HG3      PRO  29  -7.135   3.112   1.426
  242    HD2  PRO  29           HD2      PRO  29  -5.294   5.009   1.257
  243    HD3  PRO  29           HD3      PRO  29  -5.968   4.329  -0.263
  244    H    SER  30           H        SER  30  -7.805   8.637   0.982
  245    HA   SER  30           HA       SER  30  -7.985  10.110   2.621
  246    HB2  SER  30           HB2      SER  30 -10.231  10.549   3.221
  247    HB3  SER  30           HB3      SER  30 -10.151   9.784   1.602
  248    HG   SER  30           HG       SER  30 -10.465   7.734   2.928
  249    H    GLY  31           H        GLY  31  -8.147   6.904   3.948
  250    HA2  GLY  31           HA2      GLY  31  -7.539   7.892   6.697
  251    HA3  GLY  31           HA3      GLY  31  -7.866   6.229   6.222
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -13.320   7.336  -1.972
    2    H2   LYS   1           H2       LYS   1 -13.066   7.131  -3.592
    3    H3   LYS   1           H3       LYS   1 -11.889   6.746  -2.519
    4    HA   LYS   1           HA       LYS   1 -14.487   5.392  -2.719
    5    HB2  LYS   1           HB2      LYS   1 -11.785   4.673  -3.824
    6    HB3  LYS   1           HB3      LYS   1 -12.939   3.391  -3.420
    7    HG2  LYS   1           HG2      LYS   1 -14.488   3.995  -5.006
    8    HG3  LYS   1           HG3      LYS   1 -13.998   5.669  -5.036
    9    HD2  LYS   1           HD2      LYS   1 -11.757   4.792  -6.110
   10    HD3  LYS   1           HD3      LYS   1 -12.661   3.290  -6.365
   11    HE2  LYS   1           HE2      LYS   1 -12.876   4.568  -8.375
   12    HE3  LYS   1           HE3      LYS   1 -14.438   4.693  -7.547
   13    HZ1  LYS   1           HZ1      LYS   1 -13.578   6.869  -6.621
   14    HZ2  LYS   1           HZ2      LYS   1 -12.258   6.734  -7.423
   15    HZ3  LYS   1           HZ3      LYS   1 -13.674   6.899  -8.293
   16    H    LEU   2           H        LEU   2 -11.873   3.388  -1.663
   17    HA   LEU   2           HA       LEU   2 -12.954   3.593   1.114
   18    HB2  LEU   2           HB2      LEU   2 -14.002   1.819  -0.303
   19    HB3  LEU   2           HB3      LEU   2 -12.413   1.096  -0.520
   20    HG   LEU   2           HG       LEU   2 -12.309   0.864   2.045
   21   HD11  LEU   2          HD11      LEU   2 -14.457   0.847   3.240
   22   HD12  LEU   2          HD12      LEU   2 -14.152   2.468   2.605
   23   HD13  LEU   2          HD13      LEU   2 -15.304   1.402   1.783
   24   HD21  LEU   2          HD21      LEU   2 -12.762  -1.032   0.554
   25   HD22  LEU   2          HD22      LEU   2 -13.703  -1.158   2.046
   26   HD23  LEU   2          HD23      LEU   2 -14.496  -0.632   0.544
   27    HA   PRO   3           HA       PRO   3  -8.427   3.664   1.794
   28    HB2  PRO   3           HB2      PRO   3  -9.441   5.071   4.257
   29    HB3  PRO   3           HB3      PRO   3  -7.997   5.420   3.270
   30    HG2  PRO   3           HG2      PRO   3 -10.225   6.931   2.984
   31    HG3  PRO   3           HG3      PRO   3  -9.338   6.386   1.521
   32    HD2  PRO   3           HD2      PRO   3 -11.816   5.160   2.773
   33    HD3  PRO   3           HD3      PRO   3 -11.493   5.563   1.062
   34    HA   PRO   4           HA       PRO   4  -9.301   0.909   5.693
   35    HB2  PRO   4           HB2      PRO   4 -12.124   0.093   4.996
   36    HB3  PRO   4           HB3      PRO   4 -11.343   0.192   6.607
   37    HG2  PRO   4           HG2      PRO   4 -13.006   2.161   5.801
   38    HG3  PRO   4           HG3      PRO   4 -11.443   2.592   6.579
   39    HD2  PRO   4           HD2      PRO   4 -12.104   2.500   3.623
   40    HD3  PRO   4           HD3      PRO   4 -11.277   3.780   4.553
   41    H    GLY   5           H        GLY   5  -8.995  -1.398   5.699
   42    HA2  GLY   5           HA2      GLY   5  -8.782  -3.534   4.749
   43    HA3  GLY   5           HA3      GLY   5  -9.439  -2.944   3.223
   44    H    TRP   6           H        TRP   6  -6.950  -0.880   4.325
   45    HA   TRP   6           HA       TRP   6  -4.902  -2.253   2.646
   46    HB2  TRP   6           HB2      TRP   6  -5.325   0.687   3.034
   47    HB3  TRP   6           HB3      TRP   6  -4.095  -0.047   2.017
   48    HD1  TRP   6           HD1      TRP   6  -7.948   0.198   2.145
   49    HE1  TRP   6           HE1      TRP   6  -8.839   0.821  -0.129
   50    HE3  TRP   6           HE3      TRP   6  -3.555   0.254  -0.363
   51    HZ2  TRP   6           HZ2      TRP   6  -7.765   0.985  -2.881
   52    HZ3  TRP   6           HZ3      TRP   6  -3.476   0.623  -2.813
   53    HH2  TRP   6           HH2      TRP   6  -5.586   1.002  -4.082
   54    H    GLU   7           H        GLU   7  -2.765  -1.918   3.118
   55    HA   GLU   7           HA       GLU   7  -2.103  -1.016   5.864
   56    HB2  GLU   7           HB2      GLU   7  -0.667  -3.009   4.137
   57    HB3  GLU   7           HB3      GLU   7  -0.175  -2.492   5.760
   58    HG2  GLU   7           HG2      GLU   7  -2.356  -4.350   4.885
   59    HG3  GLU   7           HG3      GLU   7  -1.190  -4.545   6.187
   60    H    LYS   8           H        LYS   8  -0.219   0.078   6.177
   61    HA   LYS   8           HA       LYS   8   0.516   1.913   3.951
   62    HB2  LYS   8           HB2      LYS   8   0.803   3.512   6.024
   63    HB3  LYS   8           HB3      LYS   8  -0.744   3.315   5.246
   64    HG2  LYS   8           HG2      LYS   8   0.015   1.787   7.752
   65    HG3  LYS   8           HG3      LYS   8  -0.728   3.380   7.769
   66    HD2  LYS   8           HD2      LYS   8  -2.804   2.612   7.439
   67    HD3  LYS   8           HD3      LYS   8  -2.326   1.549   6.125
   68    HE2  LYS   8           HE2      LYS   8  -1.382  -0.048   7.867
   69    HE3  LYS   8           HE3      LYS   8  -2.095   0.964   9.119
   70    HZ1  LYS   8           HZ1      LYS   8  -4.202   0.215   8.533
   71    HZ2  LYS   8           HZ2      LYS   8  -3.822  -0.088   6.948
   72    HZ3  LYS   8           HZ3      LYS   8  -3.294  -1.113   8.069
   73    H    ARG   9           H        ARG   9   2.561   1.760   3.384
   74    HA   ARG   9           HA       ARG   9   4.602   0.744   5.327
   75    HB2  ARG   9           HB2      ARG   9   4.192  -0.239   2.488
   76    HB3  ARG   9           HB3      ARG   9   5.420  -0.805   3.603
   77    HG2  ARG   9           HG2      ARG   9   2.435  -1.341   3.661
   78    HG3  ARG   9           HG3      ARG   9   3.744  -2.470   3.372
   79    HD2  ARG   9           HD2      ARG   9   2.772  -1.341   5.983
   80    HD3  ARG   9           HD3      ARG   9   3.009  -2.996   5.508
   81    HE   ARG   9           HE       ARG   9   5.427  -2.697   5.688
   82   HH11  ARG   9          HH11      ARG   9   3.597  -0.059   7.240
   83   HH12  ARG   9          HH12      ARG   9   4.804   0.114   8.487
   84   HH21  ARG   9          HH21      ARG   9   6.986  -2.227   7.195
   85   HH22  ARG   9          HH22      ARG   9   6.699  -1.019   8.408
   86    H    MET  10           H        MET  10   6.814   0.922   4.596
   87    HA   MET  10           HA       MET  10   7.453   3.498   3.492
   88    HB2  MET  10           HB2      MET  10   9.726   2.857   3.925
   89    HB3  MET  10           HB3      MET  10   8.715   2.407   5.302
   90    HG2  MET  10           HG2      MET  10   9.664   0.466   3.160
   91    HG3  MET  10           HG3      MET  10  10.477   0.744   4.689
   92    HE1  MET  10           HE1      MET  10  10.490  -1.914   4.915
   93    HE2  MET  10           HE2      MET  10   9.016  -2.908   4.912
   94    HE3  MET  10           HE3      MET  10   9.523  -2.071   3.429
   95    H    SER  11           H        SER  11   8.458   4.017   1.599
   96    HA   SER  11           HA       SER  11   8.907   1.984  -0.520
   97    HB2  SER  11           HB2      SER  11   6.760   2.806  -1.109
   98    HB3  SER  11           HB3      SER  11   7.180   4.469  -0.674
   99    HG   SER  11           HG       SER  11   8.822   4.268  -2.348
  100    H    CFD  12           H        CFD  12  10.916   2.728   1.014
  101    HA   CFD  12           HA       CFD  12  12.756   4.025  -0.718
  102   H1G1  CFD  12          H1G       CFD  12  12.736   6.174  -1.218
  103    HD   CFD  12           HD       CFD  12  12.842   8.244   0.989
  104    H    ARG  13           H        ARG  13  10.271   6.523  -0.222
  105    HA   ARG  13           HA       ARG  13   8.277   8.670   0.373
  106    HB2  ARG  13           HB2      ARG  13   8.822   7.547  -2.145
  107    HB3  ARG  13           HB3      ARG  13   7.526   6.534  -1.563
  108    HG2  ARG  13           HG2      ARG  13   6.344   8.165  -2.679
  109    HG3  ARG  13           HG3      ARG  13   6.284   8.809  -1.041
  110    HD2  ARG  13           HD2      ARG  13   8.143   9.656  -3.308
  111    HD3  ARG  13           HD3      ARG  13   6.778  10.569  -2.664
  112    HE   ARG  13           HE       ARG  13   9.207   9.900  -1.017
  113   HH11  ARG  13          HH11      ARG  13   7.043  12.457  -2.114
  114   HH12  ARG  13          HH12      ARG  13   7.775  13.619  -1.042
  115   HH21  ARG  13          HH21      ARG  13  10.039  11.305   0.254
  116   HH22  ARG  13          HH22      ARG  13   9.503  12.984   0.301
  117    H    VAL  14           H        VAL  14   6.058   7.706   0.629
  118    HA   VAL  14           HA       VAL  14   6.004   5.168   2.193
  119    HB   VAL  14           HB       VAL  14   4.031   7.469   2.446
  120   HG11  VAL  14          HG11      VAL  14   3.505   6.416   4.617
  121   HG12  VAL  14          HG12      VAL  14   3.249   5.279   3.296
  122   HG13  VAL  14          HG13      VAL  14   4.706   5.145   4.307
  123   HG21  VAL  14          HG21      VAL  14   6.159   8.415   3.111
  124   HG22  VAL  14          HG22      VAL  14   5.186   8.113   4.554
  125   HG23  VAL  14          HG23      VAL  14   6.516   7.004   4.140
  126    H    TYR  15           H        TYR  15   4.160   3.781   1.690
  127    HA   TYR  15           HA       TYR  15   2.330   4.715  -0.392
  128    HB2  TYR  15           HB2      TYR  15   2.739   3.190  -2.025
  129    HB3  TYR  15           HB3      TYR  15   4.368   3.526  -1.503
  130    HD1  TYR  15           HD1      TYR  15   5.380   1.836   0.296
  131    HD2  TYR  15           HD2      TYR  15   1.936   0.996  -2.163
  132    HE1  TYR  15           HE1      TYR  15   5.783  -0.602   0.562
  133    HE2  TYR  15           HE2      TYR  15   2.309  -1.438  -1.851
  134    HH   TYR  15           HH       TYR  15   3.628  -3.058  -0.882
  135    H    TYR  16           H        TYR  16   0.607   3.182  -0.868
  136    HA   TYR  16           HA       TYR  16  -0.421   1.850   1.580
  137    HB2  TYR  16           HB2      TYR  16  -1.298   4.170   0.394
  138    HB3  TYR  16           HB3      TYR  16  -2.192   2.979  -0.530
  139    HD1  TYR  16           HD1      TYR  16  -1.340   3.536   3.096
  140    HD2  TYR  16           HD2      TYR  16  -4.397   2.862   0.149
  141    HE1  TYR  16           HE1      TYR  16  -3.079   3.556   4.902
  142    HE2  TYR  16           HE2      TYR  16  -6.132   2.916   1.923
  143    HH   TYR  16           HH       TYR  16  -6.521   2.803   4.189
  144    H    PHE  17           H        PHE  17  -1.008  -0.246   1.292
  145    HA   PHE  17           HA       PHE  17  -1.678  -1.233  -1.433
  146    HB2  PHE  17           HB2      PHE  17   0.106  -2.453  -1.520
  147    HB3  PHE  17           HB3      PHE  17   0.613  -1.916   0.102
  148    HD1  PHE  17           HD1      PHE  17   0.014  -3.251   2.092
  149    HD2  PHE  17           HD2      PHE  17  -0.843  -4.671  -1.878
  150    HE1  PHE  17           HE1      PHE  17  -0.487  -5.512   3.015
  151    HE2  PHE  17           HE2      PHE  17  -1.277  -6.945  -0.963
  152    HZ   PHE  17           HZ       PHE  17  -1.110  -7.364   1.469
  153    H    ASN  18           H        ASN  18  -3.240  -2.687  -1.651
  154    HA   ASN  18           HA       ASN  18  -5.120  -2.783   0.625
  155    HB2  ASN  18           HB2      ASN  18  -5.817  -2.153  -1.714
  156    HB3  ASN  18           HB3      ASN  18  -5.565  -3.831  -2.180
  157   HD21  ASN  18          HD21      ASN  18  -7.682  -1.633  -0.354
  158   HD22  ASN  18          HD22      ASN  18  -8.846  -2.891   0.038
  159    H    HIS  19           H        HIS  19  -5.440  -4.522   1.990
  160    HA   HIS  19           HA       HIS  19  -3.767  -6.872   1.451
  161    HB2  HIS  19           HB2      HIS  19  -4.076  -7.519   3.694
  162    HB3  HIS  19           HB3      HIS  19  -3.720  -5.805   3.645
  163    HD1  HIS  19           HD1      HIS  19  -5.070  -4.699   5.610
  164    HD2  HIS  19           HD2      HIS  19  -7.020  -7.967   3.755
  165    HE1  HIS  19           HE1      HIS  19  -7.302  -4.983   6.797
  166    HE2  HIS  19           HE2      HIS  19  -8.508  -6.966   5.657
  167    H    ILE  20           H        ILE  20  -6.742  -6.212   0.302
  168    HA   ILE  20           HA       ILE  20  -7.584  -9.086   0.318
  169    HB   ILE  20           HB       ILE  20  -9.316  -6.671  -0.330
  170   HG12  ILE  20          HG12      ILE  20  -9.054  -8.091   2.353
  171   HG13  ILE  20          HG13      ILE  20  -8.567  -6.428   1.992
  172   HG21  ILE  20          HG21      ILE  20 -11.161  -8.263  -0.070
  173   HG22  ILE  20          HG22      ILE  20 -10.013  -8.898  -1.237
  174   HG23  ILE  20          HG23      ILE  20 -10.028  -9.545   0.415
  175   HD11  ILE  20          HD11      ILE  20 -10.943  -5.856   1.482
  176   HD12  ILE  20          HD12      ILE  20 -11.412  -7.476   2.063
  177   HD13  ILE  20          HD13      ILE  20 -10.637  -6.330   3.165
  178    H    THR  21           H        THR  21  -7.465  -6.153  -1.735
  179    HA   THR  21           HA       THR  21  -7.698  -7.723  -4.198
  180    HB   THR  21           HB       THR  21  -7.304  -4.722  -3.917
  181    HG1  THR  21           HG1      THR  21  -9.743  -6.136  -3.798
  182   HG21  THR  21          HG21      THR  21  -8.758  -6.436  -5.983
  183   HG22  THR  21          HG22      THR  21  -8.866  -4.662  -5.887
  184   HG23  THR  21          HG23      THR  21  -7.317  -5.430  -6.245
  185    H    ASN  22           H        ASN  22  -5.032  -6.545  -2.340
  186    HA   ASN  22           HA       ASN  22  -2.897  -6.177  -2.682
  187    HB2  ASN  22           HB2      ASN  22  -3.275  -8.631  -3.530
  188    HB3  ASN  22           HB3      ASN  22  -2.831  -7.970  -5.104
  189   HD21  ASN  22          HD21      ASN  22  -0.715  -6.418  -4.788
  190   HD22  ASN  22          HD22      ASN  22   0.580  -7.286  -3.923
  191    H    ALA  23           H        ALA  23  -4.825  -4.423  -4.187
  192    HA   ALA  23           HA       ALA  23  -3.259  -3.242  -6.334
  193    HB1  ALA  23           HB1      ALA  23  -5.512  -2.107  -4.610
  194    HB2  ALA  23           HB2      ALA  23  -4.880  -1.388  -6.105
  195    HB3  ALA  23           HB3      ALA  23  -5.715  -2.953  -6.163
  196    H    SER  24           H        SER  24  -2.024  -1.229  -6.169
  197    HA   SER  24           HA       SER  24  -1.192  -0.409  -3.444
  198    HB2  SER  24           HB2      SER  24   1.176  -0.651  -4.036
  199    HB3  SER  24           HB3      SER  24   0.347  -2.220  -4.129
  200    HG   SER  24           HG       SER  24   0.547  -0.542  -6.394
  201    H    GLN  25           H        GLN  25  -0.787   1.749  -3.273
  202    HA   GLN  25           HA       GLN  25   0.023   3.409  -5.546
  203    HB2  GLN  25           HB2      GLN  25  -1.988   4.959  -5.159
  204    HB3  GLN  25           HB3      GLN  25  -2.242   3.506  -6.116
  205    HG2  GLN  25           HG2      GLN  25  -3.371   2.376  -4.323
  206    HG3  GLN  25           HG3      GLN  25  -2.934   3.629  -3.154
  207   HE21  GLN  25          HE21      GLN  25  -3.985   5.732  -3.338
  208   HE22  GLN  25          HE22      GLN  25  -5.454   5.910  -4.310
  209    H    PHE  26           H        PHE  26   0.455   5.719  -4.816
  210    HA   PHE  26           HA       PHE  26   1.955   5.483  -2.397
  211    HB2  PHE  26           HB2      PHE  26   1.487   7.843  -4.231
  212    HB3  PHE  26           HB3      PHE  26   2.583   7.866  -2.853
  213    HD1  PHE  26           HD1      PHE  26   4.269   5.788  -2.714
  214    HD2  PHE  26           HD2      PHE  26   2.478   7.291  -6.337
  215    HE1  PHE  26           HE1      PHE  26   6.054   4.706  -4.036
  216    HE2  PHE  26           HE2      PHE  26   4.292   6.235  -7.661
  217    HZ   PHE  26           HZ       PHE  26   6.078   4.936  -6.517
  218    H    GLU  27           H        GLU  27  -1.144   7.290  -2.943
  219    HA   GLU  27           HA       GLU  27  -1.290   7.571   0.005
  220    HB2  GLU  27           HB2      GLU  27  -1.778   9.734  -0.254
  221    HB3  GLU  27           HB3      GLU  27  -1.194   9.569  -1.882
  222    HG2  GLU  27           HG2      GLU  27  -3.149  10.566  -2.344
  223    HG3  GLU  27           HG3      GLU  27  -3.618   8.878  -2.498
  224    H    ARG  28           H        ARG  28  -3.875   7.832   0.443
  225    HA   ARG  28           HA       ARG  28  -4.980   5.177   0.133
  226    HB2  ARG  28           HB2      ARG  28  -6.345   7.785   0.860
  227    HB3  ARG  28           HB3      ARG  28  -6.968   6.195   1.213
  228    HG2  ARG  28           HG2      ARG  28  -5.565   5.832   3.018
  229    HG3  ARG  28           HG3      ARG  28  -4.281   6.876   2.422
  230    HD2  ARG  28           HD2      ARG  28  -6.949   7.840   3.513
  231    HD3  ARG  28           HD3      ARG  28  -5.395   7.868   4.378
  232    HE   ARG  28           HE       ARG  28  -4.837   9.198   2.012
  233   HH11  ARG  28          HH11      ARG  28  -7.324   9.942   4.391
  234   HH12  ARG  28          HH12      ARG  28  -7.586  11.517   3.676
  235   HH21  ARG  28          HH21      ARG  28  -5.257  10.912   1.143
  236   HH22  ARG  28          HH22      ARG  28  -6.400  12.094   1.777
  237    HA   PRO  29           HA       PRO  29  -7.429   5.946  -3.637
  238    HB2  PRO  29           HB2      PRO  29  -9.472   4.230  -3.450
  239    HB3  PRO  29           HB3      PRO  29  -7.791   3.627  -3.575
  240    HG2  PRO  29           HG2      PRO  29  -9.342   4.146  -0.991
  241    HG3  PRO  29           HG3      PRO  29  -8.639   2.596  -1.521
  242    HD2  PRO  29           HD2      PRO  29  -7.224   4.236   0.086
  243    HD3  PRO  29           HD3      PRO  29  -6.405   3.453  -1.299
  244    H    SER  30           H        SER  30  -7.605   8.066  -2.099
  245    HA   SER  30           HA       SER  30  -9.933   8.633  -0.648
  246    HB2  SER  30           HB2      SER  30  -8.103  10.477  -2.235
  247    HB3  SER  30           HB3      SER  30  -9.269  11.012  -1.000
  248    HG   SER  30           HG       SER  30  -6.733  10.162  -0.649
  249    H    GLY  31           H        GLY  31  -9.346   8.925  -4.112
  250    HA2  GLY  31           HA2      GLY  31 -12.034  10.102  -4.656
  251    HA3  GLY  31           HA3      GLY  31 -10.678  10.000  -5.789
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1  -6.576   4.582  -7.807
    2    H2   LYS   1           H2       LYS   1  -5.555   4.091  -6.605
    3    H3   LYS   1           H3       LYS   1  -5.811   5.712  -6.886
    4    HA   LYS   1           HA       LYS   1  -6.977   4.601  -4.932
    5    HB2  LYS   1           HB2      LYS   1  -9.009   5.991  -5.228
    6    HB3  LYS   1           HB3      LYS   1  -7.477   6.822  -5.464
    7    HG2  LYS   1           HG2      LYS   1  -7.849   6.413  -8.011
    8    HG3  LYS   1           HG3      LYS   1  -9.507   6.019  -7.585
    9    HD2  LYS   1           HD2      LYS   1 -10.032   8.203  -7.018
   10    HD3  LYS   1           HD3      LYS   1  -8.403   8.598  -6.460
   11    HE2  LYS   1           HE2      LYS   1  -9.104   8.170  -9.387
   12    HE3  LYS   1           HE3      LYS   1  -9.098   9.753  -8.593
   13    HZ1  LYS   1           HZ1      LYS   1  -6.938   9.241  -9.698
   14    HZ2  LYS   1           HZ2      LYS   1  -6.736   9.442  -8.060
   15    HZ3  LYS   1           HZ3      LYS   1  -6.694   7.993  -8.613
   16    H    LEU   2           H        LEU   2  -8.437   3.101  -4.268
   17    HA   LEU   2           HA       LEU   2  -9.859   1.392  -6.217
   18    HB2  LEU   2           HB2      LEU   2  -7.463   0.644  -4.489
   19    HB3  LEU   2           HB3      LEU   2  -8.556  -0.583  -5.047
   20    HG   LEU   2           HG       LEU   2  -6.889   1.220  -6.841
   21   HD11  LEU   2          HD11      LEU   2  -5.638  -0.837  -7.292
   22   HD12  LEU   2          HD12      LEU   2  -5.581  -0.425  -5.572
   23   HD13  LEU   2          HD13      LEU   2  -6.656  -1.728  -6.138
   24   HD21  LEU   2          HD21      LEU   2  -8.732  -1.124  -7.515
   25   HD22  LEU   2          HD22      LEU   2  -8.944   0.569  -8.027
   26   HD23  LEU   2          HD23      LEU   2  -7.586  -0.369  -8.641
   27    HA   PRO   3           HA       PRO   3 -12.682   0.539  -2.876
   28    HB2  PRO   3           HB2      PRO   3 -11.982  -2.403  -2.962
   29    HB3  PRO   3           HB3      PRO   3 -13.603  -1.635  -2.970
   30    HG2  PRO   3           HG2      PRO   3 -12.589  -2.530  -5.278
   31    HG3  PRO   3           HG3      PRO   3 -13.322  -0.888  -5.236
   32    HD2  PRO   3           HD2      PRO   3 -10.401  -1.655  -5.012
   33    HD3  PRO   3           HD3      PRO   3 -11.150  -0.430  -6.083
   34    HA   PRO   4           HA       PRO   4 -10.988   0.262   1.188
   35    HB2  PRO   4           HB2      PRO   4 -12.949  -1.879   2.005
   36    HB3  PRO   4           HB3      PRO   4 -12.578  -0.318   2.805
   37    HG2  PRO   4           HG2      PRO   4 -14.808  -0.545   1.313
   38    HG3  PRO   4           HG3      PRO   4 -13.765   0.906   1.108
   39    HD2  PRO   4           HD2      PRO   4 -13.808  -1.627  -0.567
   40    HD3  PRO   4           HD3      PRO   4 -13.882   0.077  -1.106
   41    H    GLY   5           H        GLY   5 -10.421  -1.276   3.184
   42    HA2  GLY   5           HA2      GLY   5  -9.244  -3.026   4.123
   43    HA3  GLY   5           HA3      GLY   5  -9.345  -3.906   2.597
   44    H    TRP   6           H        TRP   6  -7.397  -1.597   4.494
   45    HA   TRP   6           HA       TRP   6  -5.185  -1.833   2.496
   46    HB2  TRP   6           HB2      TRP   6  -6.208   0.688   3.860
   47    HB3  TRP   6           HB3      TRP   6  -4.746   0.578   2.874
   48    HD1  TRP   6           HD1      TRP   6  -8.544   0.445   2.482
   49    HE1  TRP   6           HE1      TRP   6  -9.102   0.670  -0.048
   50    HE3  TRP   6           HE3      TRP   6  -3.827   0.533   0.569
   51    HZ2  TRP   6           HZ2      TRP   6  -7.729   1.317  -2.397
   52    HZ3  TRP   6           HZ3      TRP   6  -3.470   0.785  -1.898
   53    HH2  TRP   6           HH2      TRP   6  -5.419   1.152  -3.398
   54    H    GLU   7           H        GLU   7  -3.148  -1.285   3.086
   55    HA   GLU   7           HA       GLU   7  -2.460  -0.827   5.947
   56    HB2  GLU   7           HB2      GLU   7  -1.328  -2.795   3.967
   57    HB3  GLU   7           HB3      GLU   7  -0.296  -2.087   5.219
   58    HG2  GLU   7           HG2      GLU   7  -1.659  -3.112   6.958
   59    HG3  GLU   7           HG3      GLU   7  -2.815  -3.707   5.743
   60    H    LYS   8           H        LYS   8  -1.119   0.911   6.122
   61    HA   LYS   8           HA       LYS   8   0.096   2.067   3.672
   62    HB2  LYS   8           HB2      LYS   8   0.399   4.127   4.811
   63    HB3  LYS   8           HB3      LYS   8  -1.263   3.585   4.968
   64    HG2  LYS   8           HG2      LYS   8  -0.869   4.396   7.067
   65    HG3  LYS   8           HG3      LYS   8  -0.574   2.677   7.297
   66    HD2  LYS   8           HD2      LYS   8   1.983   3.577   6.663
   67    HD3  LYS   8           HD3      LYS   8   1.299   5.030   7.351
   68    HE2  LYS   8           HE2      LYS   8   2.504   3.756   9.032
   69    HE3  LYS   8           HE3      LYS   8   0.789   3.835   9.456
   70    HZ1  LYS   8           HZ1      LYS   8   1.837   1.535   7.929
   71    HZ2  LYS   8           HZ2      LYS   8   1.989   1.570   9.586
   72    HZ3  LYS   8           HZ3      LYS   8   0.508   1.607   8.867
   73    H    ARG   9           H        ARG   9   2.216   1.987   3.294
   74    HA   ARG   9           HA       ARG   9   4.004   0.623   5.287
   75    HB2  ARG   9           HB2      ARG   9   3.363  -0.195   2.434
   76    HB3  ARG   9           HB3      ARG   9   4.733  -0.837   3.352
   77    HG2  ARG   9           HG2      ARG   9   3.193  -1.825   5.010
   78    HG3  ARG   9           HG3      ARG   9   1.792  -1.163   4.132
   79    HD2  ARG   9           HD2      ARG   9   2.336  -2.457   2.150
   80    HD3  ARG   9           HD3      ARG   9   3.836  -3.037   2.894
   81    HE   ARG   9           HE       ARG   9   1.566  -3.803   4.541
   82   HH11  ARG   9          HH11      ARG   9   3.076  -4.680   1.488
   83   HH12  ARG   9          HH12      ARG   9   2.518  -6.333   1.603
   84   HH21  ARG   9          HH21      ARG   9   0.891  -5.745   4.638
   85   HH22  ARG   9          HH22      ARG   9   1.272  -6.977   3.417
   86    H    MET  10           H        MET  10   6.293   0.610   4.608
   87    HA   MET  10           HA       MET  10   7.105   3.247   3.739
   88    HB2  MET  10           HB2      MET  10   9.304   2.575   4.355
   89    HB3  MET  10           HB3      MET  10   8.164   1.984   5.574
   90    HG2  MET  10           HG2      MET  10   8.224  -0.270   4.482
   91    HG3  MET  10           HG3      MET  10   9.474   0.318   3.388
   92    HE1  MET  10           HE1      MET  10  12.570   0.781   5.690
   93    HE2  MET  10           HE2      MET  10  11.958   0.725   4.023
   94    HE3  MET  10           HE3      MET  10  11.456   2.039   5.118
   95    H    SER  11           H        SER  11   8.268   3.865   1.973
   96    HA   SER  11           HA       SER  11   8.682   1.964  -0.285
   97    HB2  SER  11           HB2      SER  11   6.638   3.048  -0.838
   98    HB3  SER  11           HB3      SER  11   7.220   4.621  -0.273
   99    HG   SER  11           HG       SER  11   8.897   4.308  -1.934
  100    H    CFD  12           H        CFD  12  10.652   2.516   1.497
  101    HA   CFD  12           HA       CFD  12  12.670   3.867  -0.065
  102   H1G1  CFD  12          H1G       CFD  12  12.822   6.067  -0.221
  103    HD   CFD  12           HD       CFD  12  12.782   7.785   2.278
  104    H    ARG  13           H        ARG  13  10.322   6.375   0.607
  105    HA   ARG  13           HA       ARG  13   8.337   8.576   1.074
  106    HB2  ARG  13           HB2      ARG  13   8.597   6.509  -1.140
  107    HB3  ARG  13           HB3      ARG  13   7.089   7.380  -0.862
  108    HG2  ARG  13           HG2      ARG  13   8.054   9.486  -1.387
  109    HG3  ARG  13           HG3      ARG  13   9.705   8.845  -1.323
  110    HD2  ARG  13           HD2      ARG  13   9.173   9.098  -3.633
  111    HD3  ARG  13           HD3      ARG  13   9.200   7.379  -3.278
  112    HE   ARG  13           HE       ARG  13   6.890   7.228  -3.626
  113   HH11  ARG  13          HH11      ARG  13   7.784  10.617  -3.814
  114   HH12  ARG  13          HH12      ARG  13   6.300  11.067  -4.606
  115   HH21  ARG  13          HH21      ARG  13   5.015   7.846  -4.612
  116   HH22  ARG  13          HH22      ARG  13   4.764   9.511  -5.062
  117    H    VAL  14           H        VAL  14   6.086   7.675   1.121
  118    HA   VAL  14           HA       VAL  14   5.801   5.086   2.542
  119    HB   VAL  14           HB       VAL  14   5.579   6.935   4.170
  120   HG11  VAL  14          HG11      VAL  14   3.147   7.825   2.559
  121   HG12  VAL  14          HG12      VAL  14   3.672   8.459   4.130
  122   HG13  VAL  14          HG13      VAL  14   4.679   8.715   2.701
  123   HG21  VAL  14          HG21      VAL  14   4.344   4.851   4.540
  124   HG22  VAL  14          HG22      VAL  14   3.463   6.248   5.167
  125   HG23  VAL  14          HG23      VAL  14   2.945   5.499   3.647
  126    H    TYR  15           H        TYR  15   3.911   3.917   1.907
  127    HA   TYR  15           HA       TYR  15   2.288   5.052  -0.292
  128    HB2  TYR  15           HB2      TYR  15   2.863   3.562  -1.888
  129    HB3  TYR  15           HB3      TYR  15   4.416   3.776  -1.129
  130    HD1  TYR  15           HD1      TYR  15   5.186   1.923   0.588
  131    HD2  TYR  15           HD2      TYR  15   1.864   1.462  -2.116
  132    HE1  TYR  15           HE1      TYR  15   5.372  -0.547   0.781
  133    HE2  TYR  15           HE2      TYR  15   1.988  -0.990  -1.837
  134    HH   TYR  15           HH       TYR  15   3.123  -2.725  -0.967
  135    H    TYR  16           H        TYR  16   0.586   3.391  -0.993
  136    HA   TYR  16           HA       TYR  16  -0.673   2.119   1.413
  137    HB2  TYR  16           HB2      TYR  16  -1.643   4.043  -0.643
  138    HB3  TYR  16           HB3      TYR  16  -2.691   2.680  -0.384
  139    HD1  TYR  16           HD1      TYR  16  -0.676   4.850   1.975
  140    HD2  TYR  16           HD2      TYR  16  -4.531   3.270   0.859
  141    HE1  TYR  16           HE1      TYR  16  -1.715   6.027   3.903
  142    HE2  TYR  16           HE2      TYR  16  -5.573   4.462   2.784
  143    HH   TYR  16           HH       TYR  16  -3.684   6.509   4.999
  144    H    PHE  17           H        PHE  17  -0.999  -0.054   1.221
  145    HA   PHE  17           HA       PHE  17  -1.530  -1.103  -1.517
  146    HB2  PHE  17           HB2      PHE  17   0.271  -2.286  -1.397
  147    HB3  PHE  17           HB3      PHE  17   0.588  -1.828   0.284
  148    HD1  PHE  17           HD1      PHE  17  -0.775  -3.080   2.051
  149    HD2  PHE  17           HD2      PHE  17  -0.122  -4.576  -1.911
  150    HE1  PHE  17           HE1      PHE  17  -1.379  -5.353   2.845
  151    HE2  PHE  17           HE2      PHE  17  -0.592  -6.875  -1.122
  152    HZ   PHE  17           HZ       PHE  17  -1.267  -7.283   1.233
  153    H    ASN  18           H        ASN  18  -3.008  -2.620  -1.784
  154    HA   ASN  18           HA       ASN  18  -5.186  -2.465   0.224
  155    HB2  ASN  18           HB2      ASN  18  -5.445  -2.011  -2.283
  156    HB3  ASN  18           HB3      ASN  18  -5.267  -3.734  -2.535
  157   HD21  ASN  18          HD21      ASN  18  -7.401  -1.216  -1.167
  158   HD22  ASN  18          HD22      ASN  18  -8.719  -2.322  -0.799
  159    H    HIS  19           H        HIS  19  -5.538  -4.132   1.701
  160    HA   HIS  19           HA       HIS  19  -3.727  -6.406   1.607
  161    HB2  HIS  19           HB2      HIS  19  -4.460  -5.236   3.679
  162    HB3  HIS  19           HB3      HIS  19  -6.074  -5.926   3.479
  163    HD1  HIS  19           HD1      HIS  19  -2.684  -6.710   4.945
  164    HD2  HIS  19           HD2      HIS  19  -6.139  -8.772   3.607
  165    HE1  HIS  19           HE1      HIS  19  -2.538  -9.080   5.898
  166    HE2  HIS  19           HE2      HIS  19  -4.644 -10.339   5.078
  167    H    ILE  20           H        ILE  20  -6.935  -5.955   0.356
  168    HA   ILE  20           HA       ILE  20  -7.394  -8.885   0.066
  169    HB   ILE  20           HB       ILE  20  -9.202  -6.553  -0.666
  170   HG12  ILE  20          HG12      ILE  20  -8.896  -6.445   1.721
  171   HG13  ILE  20          HG13      ILE  20 -10.498  -7.045   1.352
  172   HG21  ILE  20          HG21      ILE  20  -9.735  -9.546  -0.443
  173   HG22  ILE  20          HG22      ILE  20 -10.985  -8.301  -0.651
  174   HG23  ILE  20          HG23      ILE  20  -9.777  -8.555  -1.912
  175   HD11  ILE  20          HD11      ILE  20  -8.147  -8.768   2.262
  176   HD12  ILE  20          HD12      ILE  20  -9.515  -8.241   3.255
  177   HD13  ILE  20          HD13      ILE  20  -9.788  -9.359   1.908
  178    H    THR  21           H        THR  21  -7.416  -5.976  -2.003
  179    HA   THR  21           HA       THR  21  -7.392  -7.460  -4.482
  180    HB   THR  21           HB       THR  21  -6.621  -4.543  -4.264
  181    HG1  THR  21           HG1      THR  21  -8.345  -4.623  -2.923
  182   HG21  THR  21          HG21      THR  21  -8.048  -4.333  -6.272
  183   HG22  THR  21          HG22      THR  21  -6.742  -5.500  -6.530
  184   HG23  THR  21          HG23      THR  21  -8.396  -6.074  -6.209
  185    H    ASN  22           H        ASN  22  -4.893  -6.428  -2.332
  186    HA   ASN  22           HA       ASN  22  -2.722  -6.344  -2.304
  187    HB2  ASN  22           HB2      ASN  22  -3.212  -8.762  -4.016
  188    HB3  ASN  22           HB3      ASN  22  -1.578  -8.304  -3.505
  189   HD21  ASN  22          HD21      ASN  22  -4.882  -9.150  -2.148
  190   HD22  ASN  22          HD22      ASN  22  -4.216  -9.423  -0.546
  191    H    ALA  23           H        ALA  23  -4.052  -4.951  -4.793
  192    HA   ALA  23           HA       ALA  23  -1.762  -4.110  -6.299
  193    HB1  ALA  23           HB1      ALA  23  -3.294  -2.285  -7.014
  194    HB2  ALA  23           HB2      ALA  23  -4.075  -3.879  -7.103
  195    HB3  ALA  23           HB3      ALA  23  -4.445  -2.782  -5.753
  196    H    SER  24           H        SER  24  -0.767  -2.005  -6.228
  197    HA   SER  24           HA       SER  24  -0.435  -0.849  -3.494
  198    HB2  SER  24           HB2      SER  24   1.697  -1.742  -5.486
  199    HB3  SER  24           HB3      SER  24   2.023  -0.768  -4.049
  200    HG   SER  24           HG       SER  24   0.843  -3.359  -4.082
  201    H    GLN  25           H        GLN  25  -0.206   1.371  -3.431
  202    HA   GLN  25           HA       GLN  25   0.311   2.959  -5.861
  203    HB2  GLN  25           HB2      GLN  25  -1.914   4.152  -5.555
  204    HB3  GLN  25           HB3      GLN  25  -2.014   2.527  -6.222
  205    HG2  GLN  25           HG2      GLN  25  -2.804   1.599  -4.153
  206    HG3  GLN  25           HG3      GLN  25  -2.371   3.051  -3.251
  207   HE21  GLN  25          HE21      GLN  25  -4.036   4.299  -2.719
  208   HE22  GLN  25          HE22      GLN  25  -5.562   4.423  -3.561
  209    H    PHE  26           H        PHE  26   0.271   5.332  -5.385
  210    HA   PHE  26           HA       PHE  26   1.044   5.960  -2.576
  211    HB2  PHE  26           HB2      PHE  26   1.339   7.475  -5.180
  212    HB3  PHE  26           HB3      PHE  26   1.752   8.141  -3.604
  213    HD1  PHE  26           HD1      PHE  26   3.447   6.874  -2.122
  214    HD2  PHE  26           HD2      PHE  26   3.003   6.169  -6.355
  215    HE1  PHE  26           HE1      PHE  26   5.649   5.743  -2.162
  216    HE2  PHE  26           HE2      PHE  26   5.237   5.088  -6.401
  217    HZ   PHE  26           HZ       PHE  26   6.552   4.844  -4.303
  218    H    GLU  27           H        GLU  27  -1.690   6.263  -4.647
  219    HA   GLU  27           HA       GLU  27  -2.979   8.461  -3.203
  220    HB2  GLU  27           HB2      GLU  27  -4.112   6.272  -5.015
  221    HB3  GLU  27           HB3      GLU  27  -5.029   7.629  -4.368
  222    HG2  GLU  27           HG2      GLU  27  -3.361   9.155  -5.576
  223    HG3  GLU  27           HG3      GLU  27  -2.863   7.702  -6.463
  224    H    ARG  28           H        ARG  28  -5.225   7.943  -2.274
  225    HA   ARG  28           HA       ARG  28  -5.157   5.698  -0.307
  226    HB2  ARG  28           HB2      ARG  28  -6.970   8.142  -0.596
  227    HB3  ARG  28           HB3      ARG  28  -7.099   6.940   0.674
  228    HG2  ARG  28           HG2      ARG  28  -4.703   7.554   1.350
  229    HG3  ARG  28           HG3      ARG  28  -4.890   8.967   0.299
  230    HD2  ARG  28           HD2      ARG  28  -6.548   8.230   2.755
  231    HD3  ARG  28           HD3      ARG  28  -5.431   9.576   2.594
  232    HE   ARG  28           HE       ARG  28  -6.982  10.765   1.257
  233   HH11  ARG  28          HH11      ARG  28  -8.452   7.740   2.344
  234   HH12  ARG  28          HH12      ARG  28  -9.993   8.118   1.587
  235   HH21  ARG  28          HH21      ARG  28  -9.067  11.249   0.495
  236   HH22  ARG  28          HH22      ARG  28 -10.351  10.073   0.742
  237    HA   PRO  29           HA       PRO  29  -8.626   3.549  -2.346
  238    HB2  PRO  29           HB2      PRO  29 -10.769   4.042  -0.468
  239    HB3  PRO  29           HB3      PRO  29  -9.739   2.604  -0.616
  240    HG2  PRO  29           HG2      PRO  29  -9.401   5.031   1.154
  241    HG3  PRO  29           HG3      PRO  29  -9.065   3.311   1.547
  242    HD2  PRO  29           HD2      PRO  29  -7.005   4.885   0.987
  243    HD3  PRO  29           HD3      PRO  29  -7.105   3.317   0.141
  244    H    SER  30           H        SER  30 -10.920   3.903  -3.137
  245    HA   SER  30           HA       SER  30 -11.205   6.502  -4.383
  246    HB2  SER  30           HB2      SER  30 -11.751   4.416  -5.544
  247    HB3  SER  30           HB3      SER  30 -13.048   4.089  -4.372
  248    HG   SER  30           HG       SER  30 -13.905   6.149  -4.969
  249    H    GLY  31           H        GLY  31 -11.261   6.904  -1.632
  250    HA2  GLY  31           HA2      GLY  31 -13.489   8.607  -1.167
  251    HA3  GLY  31           HA3      GLY  31 -13.701   7.096  -0.252
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1  -7.798   6.550   8.052
    2    H2   LYS   1           H2       LYS   1  -6.423   5.715   7.813
    3    H3   LYS   1           H3       LYS   1  -6.519   6.742   9.087
    4    HA   LYS   1           HA       LYS   1  -8.108   5.391  10.197
    5    HB2  LYS   1           HB2      LYS   1  -9.034   3.416   9.285
    6    HB3  LYS   1           HB3      LYS   1  -9.190   4.638   8.026
    7    HG2  LYS   1           HG2      LYS   1  -7.127   3.700   6.926
    8    HG3  LYS   1           HG3      LYS   1  -7.065   2.440   8.172
    9    HD2  LYS   1           HD2      LYS   1  -9.309   1.617   7.434
   10    HD3  LYS   1           HD3      LYS   1  -9.322   2.879   6.181
   11    HE2  LYS   1           HE2      LYS   1  -8.508   0.987   5.037
   12    HE3  LYS   1           HE3      LYS   1  -7.069   1.952   5.401
   13    HZ1  LYS   1           HZ1      LYS   1  -7.952  -0.567   6.693
   14    HZ2  LYS   1           HZ2      LYS   1  -6.462  -0.225   6.071
   15    HZ3  LYS   1           HZ3      LYS   1  -6.967   0.385   7.498
   16    H    LEU   2           H        LEU   2  -7.600   3.373  11.357
   17    HA   LEU   2           HA       LEU   2  -4.763   2.514  11.152
   18    HB2  LEU   2           HB2      LEU   2  -5.212   3.914  13.123
   19    HB3  LEU   2           HB3      LEU   2  -6.491   2.819  13.634
   20    HG   LEU   2           HG       LEU   2  -4.826   1.008  13.965
   21   HD11  LEU   2          HD11      LEU   2  -3.078   1.636  12.353
   22   HD12  LEU   2          HD12      LEU   2  -2.777   3.155  13.235
   23   HD13  LEU   2          HD13      LEU   2  -2.399   1.587  13.979
   24   HD21  LEU   2          HD21      LEU   2  -4.120   3.618  15.367
   25   HD22  LEU   2          HD22      LEU   2  -5.439   2.512  15.818
   26   HD23  LEU   2          HD23      LEU   2  -3.758   1.979  15.950
   27    HA   PRO   3           HA       PRO   3  -7.401  -1.419  12.081
   28    HB2  PRO   3           HB2      PRO   3  -9.906  -0.670  10.556
   29    HB3  PRO   3           HB3      PRO   3  -9.736  -1.769  11.962
   30    HG2  PRO   3           HG2      PRO   3 -10.646   0.726  12.355
   31    HG3  PRO   3           HG3      PRO   3  -9.380   0.074  13.456
   32    HD2  PRO   3           HD2      PRO   3  -9.024   1.865  11.035
   33    HD3  PRO   3           HD3      PRO   3  -8.361   2.061  12.688
   34    HA   PRO   4           HA       PRO   4  -6.238  -3.377   8.343
   35    HB2  PRO   4           HB2      PRO   4  -8.580  -5.273   8.544
   36    HB3  PRO   4           HB3      PRO   4  -6.837  -5.642   8.337
   37    HG2  PRO   4           HG2      PRO   4  -7.961  -5.897  10.765
   38    HG3  PRO   4           HG3      PRO   4  -6.379  -5.054  10.623
   39    HD2  PRO   4           HD2      PRO   4  -9.153  -3.825  10.756
   40    HD3  PRO   4           HD3      PRO   4  -7.704  -3.442  11.728
   41    H    GLY   5           H        GLY   5  -7.268  -4.761   6.277
   42    HA2  GLY   5           HA2      GLY   5  -8.519  -4.556   4.244
   43    HA3  GLY   5           HA3      GLY   5  -9.014  -2.913   4.699
   44    H    TRP   6           H        TRP   6  -7.698  -1.202   4.012
   45    HA   TRP   6           HA       TRP   6  -5.246  -1.729   2.529
   46    HB2  TRP   6           HB2      TRP   6  -6.294   0.863   3.700
   47    HB3  TRP   6           HB3      TRP   6  -4.819   0.684   2.773
   48    HD1  TRP   6           HD1      TRP   6  -8.625   0.570   2.222
   49    HE1  TRP   6           HE1      TRP   6  -9.041   1.513  -0.122
   50    HE3  TRP   6           HE3      TRP   6  -3.813   0.626   0.529
   51    HZ2  TRP   6           HZ2      TRP   6  -7.401   2.679  -2.220
   52    HZ3  TRP   6           HZ3      TRP   6  -3.273   1.593  -1.710
   53    HH2  TRP   6           HH2      TRP   6  -5.075   2.629  -3.073
   54    H    GLU   7           H        GLU   7  -3.162  -1.212   3.102
   55    HA   GLU   7           HA       GLU   7  -2.468  -0.738   5.962
   56    HB2  GLU   7           HB2      GLU   7  -1.559  -2.893   4.054
   57    HB3  GLU   7           HB3      GLU   7  -0.500  -2.308   5.333
   58    HG2  GLU   7           HG2      GLU   7  -2.325  -2.917   6.997
   59    HG3  GLU   7           HG3      GLU   7  -3.168  -3.715   5.648
   60    H    LYS   8           H        LYS   8  -0.475   0.292   6.265
   61    HA   LYS   8           HA       LYS   8   0.477   1.910   3.974
   62    HB2  LYS   8           HB2      LYS   8   1.390   2.487   6.762
   63    HB3  LYS   8           HB3      LYS   8   1.061   3.582   5.413
   64    HG2  LYS   8           HG2      LYS   8  -1.416   3.164   5.789
   65    HG3  LYS   8           HG3      LYS   8  -0.981   2.203   7.214
   66    HD2  LYS   8           HD2      LYS   8   0.275   4.277   8.060
   67    HD3  LYS   8           HD3      LYS   8  -0.564   5.182   6.802
   68    HE2  LYS   8           HE2      LYS   8  -1.814   3.574   9.074
   69    HE3  LYS   8           HE3      LYS   8  -1.729   5.336   8.974
   70    HZ1  LYS   8           HZ1      LYS   8  -3.226   3.652   7.051
   71    HZ2  LYS   8           HZ2      LYS   8  -3.914   4.433   8.322
   72    HZ3  LYS   8           HZ3      LYS   8  -3.245   5.292   7.098
   73    H    ARG   9           H        ARG   9   2.530   1.840   3.247
   74    HA   ARG   9           HA       ARG   9   4.523  -0.105   4.350
   75    HB2  ARG   9           HB2      ARG   9   3.709   0.342   1.453
   76    HB3  ARG   9           HB3      ARG   9   4.948  -0.776   2.007
   77    HG2  ARG   9           HG2      ARG   9   1.954  -1.094   2.524
   78    HG3  ARG   9           HG3      ARG   9   2.862  -1.831   1.217
   79    HD2  ARG   9           HD2      ARG   9   2.752  -3.543   2.730
   80    HD3  ARG   9           HD3      ARG   9   4.370  -2.896   3.019
   81    HE   ARG   9           HE       ARG   9   3.124  -1.517   4.888
   82   HH11  ARG   9          HH11      ARG   9   2.022  -4.836   4.126
   83   HH12  ARG   9          HH12      ARG   9   1.057  -4.787   5.626
   84   HH21  ARG   9          HH21      ARG   9   1.971  -1.753   6.663
   85   HH22  ARG   9          HH22      ARG   9   1.062  -3.288   6.915
   86    H    MET  10           H        MET  10   6.722   0.275   3.341
   87    HA   MET  10           HA       MET  10   7.154   3.155   2.690
   88    HB2  MET  10           HB2      MET  10   8.582   1.336   4.622
   89    HB3  MET  10           HB3      MET  10   9.443   2.686   3.868
   90    HG2  MET  10           HG2      MET  10   6.851   2.972   5.430
   91    HG3  MET  10           HG3      MET  10   8.465   3.266   6.080
   92    HE1  MET  10           HE1      MET  10   6.886   6.863   5.836
   93    HE2  MET  10           HE2      MET  10   6.014   5.350   6.178
   94    HE3  MET  10           HE3      MET  10   7.611   5.645   6.909
   95    H    SER  11           H        SER  11   8.473   3.708   1.186
   96    HA   SER  11           HA       SER  11  10.100   1.723  -0.314
   97    HB2  SER  11           HB2      SER  11   9.466   3.053  -2.388
   98    HB3  SER  11           HB3      SER  11   8.257   1.953  -1.728
   99    HG   SER  11           HG       SER  11   7.976   4.470  -0.667
  100    H    CFD  12           H        CFD  12  11.646   2.539   1.248
  101    HA   CFD  12           HA       CFD  12  13.295   4.650   0.266
  102   H1G1  CFD  12          H1G       CFD  12  13.161   6.836   0.537
  103    HD   CFD  12           HD       CFD  12  12.115   8.047   3.089
  104    H    ARG  13           H        ARG  13  10.441   6.667   0.478
  105    HA   ARG  13           HA       ARG  13   8.167   8.601   0.654
  106    HB2  ARG  13           HB2      ARG  13   9.249   8.545  -1.522
  107    HB3  ARG  13           HB3      ARG  13   9.132   6.790  -1.588
  108    HG2  ARG  13           HG2      ARG  13   7.492   7.773  -3.050
  109    HG3  ARG  13           HG3      ARG  13   6.704   6.900  -1.754
  110    HD2  ARG  13           HD2      ARG  13   6.961   9.655  -0.901
  111    HD3  ARG  13           HD3      ARG  13   6.399   9.662  -2.579
  112    HE   ARG  13           HE       ARG  13   4.972   7.732  -0.932
  113   HH11  ARG  13          HH11      ARG  13   4.742  11.216  -1.768
  114   HH12  ARG  13          HH12      ARG  13   2.997  11.121  -1.393
  115   HH21  ARG  13          HH21      ARG  13   2.781   7.890  -0.659
  116   HH22  ARG  13          HH22      ARG  13   2.084   9.519  -0.802
  117    H    VAL  14           H        VAL  14   6.365   7.945   1.588
  118    HA   VAL  14           HA       VAL  14   5.898   5.181   2.362
  119    HB   VAL  14           HB       VAL  14   5.288   7.140   3.754
  120   HG11  VAL  14          HG11      VAL  14   4.362   8.624   1.963
  121   HG12  VAL  14          HG12      VAL  14   2.941   7.556   1.862
  122   HG13  VAL  14          HG13      VAL  14   3.301   8.433   3.364
  123   HG21  VAL  14          HG21      VAL  14   4.265   4.968   4.206
  124   HG22  VAL  14          HG22      VAL  14   3.146   6.285   4.562
  125   HG23  VAL  14          HG23      VAL  14   2.934   5.327   3.083
  126    H    TYR  15           H        TYR  15   4.313   3.739   1.601
  127    HA   TYR  15           HA       TYR  15   2.585   4.651  -0.584
  128    HB2  TYR  15           HB2      TYR  15   3.078   3.070  -2.161
  129    HB3  TYR  15           HB3      TYR  15   4.650   3.620  -1.639
  130    HD1  TYR  15           HD1      TYR  15   2.273   0.810  -1.766
  131    HD2  TYR  15           HD2      TYR  15   6.177   2.098  -0.460
  132    HE1  TYR  15           HE1      TYR  15   2.975  -1.567  -1.522
  133    HE2  TYR  15           HE2      TYR  15   6.888  -0.276  -0.233
  134    HH   TYR  15           HH       TYR  15   6.257  -2.475  -0.460
  135    H    TYR  16           H        TYR  16   0.875   2.996  -1.082
  136    HA   TYR  16           HA       TYR  16  -0.071   1.740   1.465
  137    HB2  TYR  16           HB2      TYR  16  -1.407   3.731  -0.385
  138    HB3  TYR  16           HB3      TYR  16  -2.350   2.589   0.548
  139    HD1  TYR  16           HD1      TYR  16   0.453   5.066   1.146
  140    HD2  TYR  16           HD2      TYR  16  -3.192   3.259   2.571
  141    HE1  TYR  16           HE1      TYR  16   0.505   6.535   3.134
  142    HE2  TYR  16           HE2      TYR  16  -3.270   4.878   4.431
  143    HH   TYR  16           HH       TYR  16  -2.311   6.740   5.414
  144    H    PHE  17           H        PHE  17  -1.033  -0.194   1.285
  145    HA   PHE  17           HA       PHE  17  -1.690  -1.246  -1.419
  146    HB2  PHE  17           HB2      PHE  17   0.079  -2.520  -1.329
  147    HB3  PHE  17           HB3      PHE  17   0.490  -1.995   0.302
  148    HD1  PHE  17           HD1      PHE  17  -0.455  -3.205   2.268
  149    HD2  PHE  17           HD2      PHE  17  -0.789  -4.735  -1.736
  150    HE1  PHE  17           HE1      PHE  17  -1.079  -5.437   3.188
  151    HE2  PHE  17           HE2      PHE  17  -1.333  -6.987  -0.825
  152    HZ   PHE  17           HZ       PHE  17  -1.477  -7.342   1.616
  153    H    ASN  18           H        ASN  18  -3.291  -2.702  -1.543
  154    HA   ASN  18           HA       ASN  18  -5.137  -2.786   0.782
  155    HB2  ASN  18           HB2      ASN  18  -5.928  -2.043  -1.457
  156    HB3  ASN  18           HB3      ASN  18  -5.618  -3.662  -2.078
  157   HD21  ASN  18          HD21      ASN  18  -7.993  -3.704  -2.562
  158   HD22  ASN  18          HD22      ASN  18  -9.113  -3.945  -1.216
  159    H    HIS  19           H        HIS  19  -5.105  -4.491   2.196
  160    HA   HIS  19           HA       HIS  19  -3.849  -7.003   1.494
  161    HB2  HIS  19           HB2      HIS  19  -4.188  -5.805   3.809
  162    HB3  HIS  19           HB3      HIS  19  -5.736  -6.641   3.831
  163    HD1  HIS  19           HD1      HIS  19  -2.378  -7.009   5.075
  164    HD2  HIS  19           HD2      HIS  19  -5.248  -9.584   3.325
  165    HE1  HIS  19           HE1      HIS  19  -1.679  -9.412   5.678
  166    HE2  HIS  19           HE2      HIS  19  -3.440 -10.974   4.607
  167    H    ILE  20           H        ILE  20  -7.004  -5.759   0.822
  168    HA   ILE  20           HA       ILE  20  -8.245  -8.421   0.605
  169    HB   ILE  20           HB       ILE  20  -9.332  -5.683  -0.116
  170   HG12  ILE  20          HG12      ILE  20  -9.782  -7.356   2.399
  171   HG13  ILE  20          HG13      ILE  20  -8.758  -5.925   2.315
  172   HG21  ILE  20          HG21      ILE  20 -10.770  -8.347   0.245
  173   HG22  ILE  20          HG22      ILE  20 -11.543  -6.785  -0.105
  174   HG23  ILE  20          HG23      ILE  20 -10.499  -7.525  -1.303
  175   HD11  ILE  20          HD11      ILE  20 -10.824  -5.265   3.291
  176   HD12  ILE  20          HD12      ILE  20 -10.736  -4.547   1.670
  177   HD13  ILE  20          HD13      ILE  20 -11.769  -5.969   1.975
  178    H    THR  21           H        THR  21  -7.157  -5.888  -1.719
  179    HA   THR  21           HA       THR  21  -7.486  -7.902  -3.916
  180    HB   THR  21           HB       THR  21  -8.009  -6.126  -5.430
  181    HG1  THR  21           HG1      THR  21  -7.974  -4.074  -4.925
  182   HG21  THR  21          HG21      THR  21  -9.698  -5.708  -2.935
  183   HG22  THR  21          HG22      THR  21 -10.152  -5.364  -4.616
  184   HG23  THR  21          HG23      THR  21  -9.896  -7.038  -4.094
  185    H    ASN  22           H        ASN  22  -4.991  -6.456  -2.270
  186    HA   ASN  22           HA       ASN  22  -2.911  -5.905  -2.626
  187    HB2  ASN  22           HB2      ASN  22  -3.100  -8.301  -3.661
  188    HB3  ASN  22           HB3      ASN  22  -2.731  -7.483  -5.181
  189   HD21  ASN  22          HD21      ASN  22  -0.732  -5.792  -4.733
  190   HD22  ASN  22          HD22      ASN  22   0.621  -6.617  -3.928
  191    H    ALA  23           H        ALA  23  -5.163  -4.444  -4.408
  192    HA   ALA  23           HA       ALA  23  -3.792  -2.879  -6.311
  193    HB1  ALA  23           HB1      ALA  23  -6.224  -2.764  -5.955
  194    HB2  ALA  23           HB2      ALA  23  -5.974  -2.065  -4.335
  195    HB3  ALA  23           HB3      ALA  23  -5.500  -1.154  -5.782
  196    H    SER  24           H        SER  24  -2.156  -1.410  -6.145
  197    HA   SER  24           HA       SER  24  -1.304  -0.485  -3.449
  198    HB2  SER  24           HB2      SER  24   0.460  -1.883  -5.496
  199    HB3  SER  24           HB3      SER  24   0.982  -1.216  -3.938
  200    HG   SER  24           HG       SER  24  -0.896  -3.362  -4.308
  201    H    GLN  25           H        GLN  25  -0.414   1.543  -3.405
  202    HA   GLN  25           HA       GLN  25   0.513   2.943  -5.812
  203    HB2  GLN  25           HB2      GLN  25  -1.288   4.718  -5.577
  204    HB3  GLN  25           HB3      GLN  25  -1.813   3.187  -6.271
  205    HG2  GLN  25           HG2      GLN  25  -2.897   2.510  -4.222
  206    HG3  GLN  25           HG3      GLN  25  -2.178   3.843  -3.323
  207   HE21  GLN  25          HE21      GLN  25  -3.410   5.675  -3.109
  208   HE22  GLN  25          HE22      GLN  25  -4.833   6.014  -4.130
  209    H    PHE  26           H        PHE  26   1.156   5.257  -5.287
  210    HA   PHE  26           HA       PHE  26   2.556   5.264  -2.765
  211    HB2  PHE  26           HB2      PHE  26   2.309   7.330  -4.964
  212    HB3  PHE  26           HB3      PHE  26   3.269   7.570  -3.509
  213    HD1  PHE  26           HD1      PHE  26   4.964   5.657  -2.879
  214    HD2  PHE  26           HD2      PHE  26   3.405   6.326  -6.845
  215    HE1  PHE  26           HE1      PHE  26   6.872   4.404  -3.841
  216    HE2  PHE  26           HE2      PHE  26   5.327   5.080  -7.803
  217    HZ   PHE  26           HZ       PHE  26   7.058   4.113  -6.304
  218    H    GLU  27           H        GLU  27  -0.141   7.395  -3.932
  219    HA   GLU  27           HA       GLU  27  -0.446   8.369  -1.194
  220    HB2  GLU  27           HB2      GLU  27  -1.784   9.115  -3.804
  221    HB3  GLU  27           HB3      GLU  27  -2.395   9.698  -2.253
  222    HG2  GLU  27           HG2      GLU  27   0.404  10.104  -3.344
  223    HG3  GLU  27           HG3      GLU  27  -0.854  11.345  -3.205
  224    H    ARG  28           H        ARG  28  -2.682   8.680  -0.369
  225    HA   ARG  28           HA       ARG  28  -3.519   5.907   0.191
  226    HB2  ARG  28           HB2      ARG  28  -3.838   6.762   2.461
  227    HB3  ARG  28           HB3      ARG  28  -2.266   7.243   1.825
  228    HG2  ARG  28           HG2      ARG  28  -3.800   9.458   1.148
  229    HG3  ARG  28           HG3      ARG  28  -4.615   8.897   2.602
  230    HD2  ARG  28           HD2      ARG  28  -3.008  10.496   3.273
  231    HD3  ARG  28           HD3      ARG  28  -2.419   8.919   3.795
  232    HE   ARG  28           HE       ARG  28  -1.460  10.226   1.225
  233   HH11  ARG  28          HH11      ARG  28  -0.515   8.611   4.229
  234   HH12  ARG  28          HH12      ARG  28   1.149   9.100   4.018
  235   HH21  ARG  28          HH21      ARG  28   0.513  10.531   0.879
  236   HH22  ARG  28          HH22      ARG  28   1.785  10.091   2.031
  237    HA   PRO  29           HA       PRO  29  -8.051   6.751   0.044
  238    HB2  PRO  29           HB2      PRO  29  -8.883   4.825   1.761
  239    HB3  PRO  29           HB3      PRO  29  -8.111   4.390   0.221
  240    HG2  PRO  29           HG2      PRO  29  -6.695   4.718   2.908
  241    HG3  PRO  29           HG3      PRO  29  -6.793   3.233   1.908
  242    HD2  PRO  29           HD2      PRO  29  -4.718   4.809   1.548
  243    HD3  PRO  29           HD3      PRO  29  -5.631   4.273   0.088
  244    H    SER  30           H        SER  30  -9.362   6.321   2.610
  245    HA   SER  30           HA       SER  30  -9.097   8.816   3.954
  246    HB2  SER  30           HB2      SER  30 -11.174   7.551   3.891
  247    HB3  SER  30           HB3      SER  30 -10.443   6.252   4.857
  248    HG   SER  30           HG       SER  30 -10.024   7.893   6.445
  249    H    GLY  31           H        GLY  31  -6.513   8.052   3.975
  250    HA2  GLY  31           HA2      GLY  31  -4.807   8.639   5.429
  251    HA3  GLY  31           HA3      GLY  31  -5.845   8.344   6.815
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1  -6.964   5.582  -6.450
    2    H2   LYS   1           H2       LYS   1  -6.030   6.391  -7.539
    3    H3   LYS   1           H3       LYS   1  -5.589   4.895  -7.052
    4    HA   LYS   1           HA       LYS   1  -8.027   5.496  -8.591
    5    HB2  LYS   1           HB2      LYS   1  -5.510   4.049  -9.505
    6    HB3  LYS   1           HB3      LYS   1  -6.995   4.243 -10.433
    7    HG2  LYS   1           HG2      LYS   1  -5.073   6.423  -9.585
    8    HG3  LYS   1           HG3      LYS   1  -5.331   5.814 -11.208
    9    HD2  LYS   1           HD2      LYS   1  -7.622   6.699 -11.241
   10    HD3  LYS   1           HD3      LYS   1  -7.460   7.302  -9.587
   11    HE2  LYS   1           HE2      LYS   1  -5.696   8.189 -11.904
   12    HE3  LYS   1           HE3      LYS   1  -7.164   9.031 -11.387
   13    HZ1  LYS   1           HZ1      LYS   1  -5.263  10.042 -10.328
   14    HZ2  LYS   1           HZ2      LYS   1  -6.089   9.228  -9.148
   15    HZ3  LYS   1           HZ3      LYS   1  -4.721   8.619  -9.725
   16    H    LEU   2           H        LEU   2  -5.966   2.787  -7.357
   17    HA   LEU   2           HA       LEU   2  -8.004   0.855  -7.965
   18    HB2  LEU   2           HB2      LEU   2  -5.343   0.827  -6.528
   19    HB3  LEU   2           HB3      LEU   2  -6.380  -0.569  -6.423
   20    HG   LEU   2           HG       LEU   2  -4.632  -0.763  -8.147
   21   HD11  LEU   2          HD11      LEU   2  -7.434  -0.834  -9.336
   22   HD12  LEU   2          HD12      LEU   2  -6.015  -1.748  -9.872
   23   HD13  LEU   2          HD13      LEU   2  -6.722  -2.085  -8.288
   24   HD21  LEU   2          HD21      LEU   2  -4.739   0.357 -10.270
   25   HD22  LEU   2          HD22      LEU   2  -6.183   1.265  -9.796
   26   HD23  LEU   2          HD23      LEU   2  -4.621   1.580  -8.998
   27    HA   PRO   3           HA       PRO   3 -10.707   0.869  -4.713
   28    HB2  PRO   3           HB2      PRO   3 -10.340  -2.077  -4.177
   29    HB3  PRO   3           HB3      PRO   3 -11.852  -1.163  -4.476
   30    HG2  PRO   3           HG2      PRO   3 -10.739  -2.621  -6.461
   31    HG3  PRO   3           HG3      PRO   3 -11.351  -0.969  -6.814
   32    HD2  PRO   3           HD2      PRO   3  -8.499  -1.832  -6.241
   33    HD3  PRO   3           HD3      PRO   3  -9.128  -0.807  -7.562
   34    HA   PRO   4           HA       PRO   4  -8.862   1.064  -0.621
   35    HB2  PRO   4           HB2      PRO   4 -11.672   0.744   0.411
   36    HB3  PRO   4           HB3      PRO   4 -10.436   1.968   0.850
   37    HG2  PRO   4           HG2      PRO   4 -12.442   2.633  -0.827
   38    HG3  PRO   4           HG3      PRO   4 -10.761   3.136  -1.218
   39    HD2  PRO   4           HD2      PRO   4 -12.285   0.723  -2.272
   40    HD3  PRO   4           HD3      PRO   4 -11.381   1.982  -3.170
   41    H    GLY   5           H        GLY   5  -9.063   0.080   1.648
   42    HA2  GLY   5           HA2      GLY   5  -9.313  -2.006   2.949
   43    HA3  GLY   5           HA3      GLY   5  -9.050  -2.923   1.458
   44    H    TRP   6           H        TRP   6  -7.276  -0.053   2.711
   45    HA   TRP   6           HA       TRP   6  -4.833  -1.185   1.827
   46    HB2  TRP   6           HB2      TRP   6  -5.154   1.379   3.390
   47    HB3  TRP   6           HB3      TRP   6  -3.892   0.910   2.222
   48    HD1  TRP   6           HD1      TRP   6  -7.075   2.797   2.305
   49    HE1  TRP   6           HE1      TRP   6  -7.688   3.477  -0.079
   50    HE3  TRP   6           HE3      TRP   6  -3.751  -0.069  -0.156
   51    HZ2  TRP   6           HZ2      TRP   6  -7.142   2.417  -2.791
   52    HZ3  TRP   6           HZ3      TRP   6  -3.764  -0.255  -2.669
   53    HH2  TRP   6           HH2      TRP   6  -5.530   0.937  -3.966
   54    H    GLU   7           H        GLU   7  -2.827  -1.042   2.865
   55    HA   GLU   7           HA       GLU   7  -2.534  -1.104   5.790
   56    HB2  GLU   7           HB2      GLU   7  -2.334  -3.369   4.089
   57    HB3  GLU   7           HB3      GLU   7  -0.677  -2.797   4.290
   58    HG2  GLU   7           HG2      GLU   7  -2.478  -3.291   6.675
   59    HG3  GLU   7           HG3      GLU   7  -1.456  -4.545   5.954
   60    H    LYS   8           H        LYS   8  -0.524  -0.180   6.362
   61    HA   LYS   8           HA       LYS   8   0.450   1.752   4.326
   62    HB2  LYS   8           HB2      LYS   8   1.601   2.219   6.965
   63    HB3  LYS   8           HB3      LYS   8   0.723   3.259   5.888
   64    HG2  LYS   8           HG2      LYS   8  -0.546   3.301   7.786
   65    HG3  LYS   8           HG3      LYS   8  -1.430   2.186   6.747
   66    HD2  LYS   8           HD2      LYS   8  -1.185   1.735   9.274
   67    HD3  LYS   8           HD3      LYS   8  -1.114   0.403   8.167
   68    HE2  LYS   8           HE2      LYS   8   1.436   1.733   9.186
   69    HE3  LYS   8           HE3      LYS   8   0.540   0.568  10.166
   70    HZ1  LYS   8           HZ1      LYS   8   1.807  -0.015   7.544
   71    HZ2  LYS   8           HZ2      LYS   8   2.129  -0.696   9.007
   72    HZ3  LYS   8           HZ3      LYS   8   0.703  -0.990   8.224
   73    H    ARG   9           H        ARG   9   2.380   1.672   3.356
   74    HA   ARG   9           HA       ARG   9   4.551  -0.055   4.483
   75    HB2  ARG   9           HB2      ARG   9   3.410  -0.083   1.655
   76    HB3  ARG   9           HB3      ARG   9   4.830  -0.998   2.169
   77    HG2  ARG   9           HG2      ARG   9   1.972  -1.415   3.157
   78    HG3  ARG   9           HG3      ARG   9   2.837  -2.427   2.007
   79    HD2  ARG   9           HD2      ARG   9   4.394  -3.195   3.678
   80    HD3  ARG   9           HD3      ARG   9   3.861  -1.986   4.839
   81    HE   ARG   9           HE       ARG   9   2.042  -3.253   5.456
   82   HH11  ARG   9          HH11      ARG   9   3.277  -4.745   2.504
   83   HH12  ARG   9          HH12      ARG   9   2.279  -6.158   2.737
   84   HH21  ARG   9          HH21      ARG   9   0.968  -4.911   5.730
   85   HH22  ARG   9          HH22      ARG   9   1.001  -6.330   4.650
   86    H    MET  10           H        MET  10   6.636   0.224   3.232
   87    HA   MET  10           HA       MET  10   7.028   3.146   2.753
   88    HB2  MET  10           HB2      MET  10   8.784   1.073   4.092
   89    HB3  MET  10           HB3      MET  10   9.394   2.623   3.509
   90    HG2  MET  10           HG2      MET  10   8.935   2.892   5.823
   91    HG3  MET  10           HG3      MET  10   7.775   3.836   4.906
   92    HE1  MET  10           HE1      MET  10   8.403   0.787   7.259
   93    HE2  MET  10           HE2      MET  10   6.808   0.007   7.348
   94    HE3  MET  10           HE3      MET  10   7.753  -0.080   5.846
   95    H    SER  11           H        SER  11   8.131   3.865   1.087
   96    HA   SER  11           HA       SER  11   9.280   2.013  -0.950
   97    HB2  SER  11           HB2      SER  11   8.095   3.311  -2.683
   98    HB3  SER  11           HB3      SER  11   6.947   2.510  -1.598
   99    HG   SER  11           HG       SER  11   7.921   5.128  -1.214
  100    H    CFD  12           H        CFD  12  11.337   2.667  -0.265
  101    HA   CFD  12           HA       CFD  12  12.496   4.922  -1.476
  102   H1G1  CFD  12          H1G       CFD  12  12.223   7.058  -1.022
  103    HD   CFD  12           HD       CFD  12  12.523   8.031   1.828
  104    H    ARG  13           H        ARG  13   9.808   6.817   0.155
  105    HA   ARG  13           HA       ARG  13   7.943   8.648   1.613
  106    HB2  ARG  13           HB2      ARG  13   8.184   8.179  -1.192
  107    HB3  ARG  13           HB3      ARG  13   6.740   7.311  -0.696
  108    HG2  ARG  13           HG2      ARG  13   6.193   9.595   0.600
  109    HG3  ARG  13           HG3      ARG  13   7.363  10.259  -0.545
  110    HD2  ARG  13           HD2      ARG  13   5.260  10.589  -1.547
  111    HD3  ARG  13           HD3      ARG  13   5.920   9.177  -2.397
  112    HE   ARG  13           HE       ARG  13   4.482   8.064  -0.301
  113   HH11  ARG  13          HH11      ARG  13   3.403  10.273  -2.879
  114   HH12  ARG  13          HH12      ARG  13   1.766   9.627  -2.730
  115   HH21  ARG  13          HH21      ARG  13   2.471   7.498  -0.173
  116   HH22  ARG  13          HH22      ARG  13   1.246   8.177  -1.299
  117    H    VAL  14           H        VAL  14   5.849   7.892   2.116
  118    HA   VAL  14           HA       VAL  14   5.623   4.997   2.775
  119    HB   VAL  14           HB       VAL  14   3.922   7.336   3.722
  120   HG11  VAL  14          HG11      VAL  14   4.099   4.464   4.741
  121   HG12  VAL  14          HG12      VAL  14   3.114   5.763   5.441
  122   HG13  VAL  14          HG13      VAL  14   2.738   5.152   3.828
  123   HG21  VAL  14          HG21      VAL  14   6.195   5.884   5.143
  124   HG22  VAL  14          HG22      VAL  14   6.190   7.583   4.614
  125   HG23  VAL  14          HG23      VAL  14   5.095   7.059   5.898
  126    H    TYR  15           H        TYR  15   3.904   3.797   1.905
  127    HA   TYR  15           HA       TYR  15   2.048   5.095  -0.005
  128    HB2  TYR  15           HB2      TYR  15   2.595   3.818  -1.809
  129    HB3  TYR  15           HB3      TYR  15   4.175   4.181  -1.169
  130    HD1  TYR  15           HD1      TYR  15   5.403   2.330   0.159
  131    HD2  TYR  15           HD2      TYR  15   1.771   1.605  -2.036
  132    HE1  TYR  15           HE1      TYR  15   5.967  -0.099   0.021
  133    HE2  TYR  15           HE2      TYR  15   2.260  -0.827  -2.045
  134    HH   TYR  15           HH       TYR  15   3.774  -2.443  -1.553
  135    H    TYR  16           H        TYR  16   0.369   3.394  -0.812
  136    HA   TYR  16           HA       TYR  16  -0.535   1.826   1.596
  137    HB2  TYR  16           HB2      TYR  16  -1.985   3.471  -0.493
  138    HB3  TYR  16           HB3      TYR  16  -2.767   2.130   0.306
  139    HD1  TYR  16           HD1      TYR  16  -0.549   3.911   2.616
  140    HD2  TYR  16           HD2      TYR  16  -4.462   3.842   0.800
  141    HE1  TYR  16           HE1      TYR  16  -1.445   5.303   4.463
  142    HE2  TYR  16           HE2      TYR  16  -5.360   5.197   2.662
  143    HH   TYR  16           HH       TYR  16  -4.950   6.171   4.715
  144    H    PHE  17           H        PHE  17  -0.635  -0.336   1.348
  145    HA   PHE  17           HA       PHE  17  -1.049  -1.427  -1.409
  146    HB2  PHE  17           HB2      PHE  17   0.745  -2.609  -1.112
  147    HB3  PHE  17           HB3      PHE  17   0.909  -2.155   0.586
  148    HD1  PHE  17           HD1      PHE  17  -0.326  -3.486   2.316
  149    HD2  PHE  17           HD2      PHE  17  -0.040  -4.795  -1.767
  150    HE1  PHE  17           HE1      PHE  17  -1.054  -5.760   3.009
  151    HE2  PHE  17           HE2      PHE  17  -0.706  -7.086  -1.077
  152    HZ   PHE  17           HZ       PHE  17  -1.228  -7.573   1.301
  153    H    ASN  18           H        ASN  18  -2.598  -3.010  -1.679
  154    HA   ASN  18           HA       ASN  18  -4.784  -2.685   0.315
  155    HB2  ASN  18           HB2      ASN  18  -5.197  -2.221  -2.090
  156    HB3  ASN  18           HB3      ASN  18  -4.985  -3.942  -2.418
  157   HD21  ASN  18          HD21      ASN  18  -7.497  -1.946  -2.431
  158   HD22  ASN  18          HD22      ASN  18  -8.594  -2.769  -1.394
  159    H    HIS  19           H        HIS  19  -5.171  -4.115   1.862
  160    HA   HIS  19           HA       HIS  19  -3.712  -6.659   1.863
  161    HB2  HIS  19           HB2      HIS  19  -4.236  -6.833   4.152
  162    HB3  HIS  19           HB3      HIS  19  -3.786  -5.166   3.857
  163    HD1  HIS  19           HD1      HIS  19  -5.549  -3.369   4.797
  164    HD2  HIS  19           HD2      HIS  19  -6.977  -7.341   4.403
  165    HE1  HIS  19           HE1      HIS  19  -7.849  -3.427   5.900
  166    HE2  HIS  19           HE2      HIS  19  -8.735  -5.842   5.644
  167    H    ILE  20           H        ILE  20  -6.572  -5.829   0.483
  168    HA   ILE  20           HA       ILE  20  -7.711  -8.586   0.729
  169    HB   ILE  20           HB       ILE  20  -9.166  -6.069  -0.172
  170   HG12  ILE  20          HG12      ILE  20  -9.090  -7.235   2.642
  171   HG13  ILE  20          HG13      ILE  20  -8.435  -5.672   2.129
  172   HG21  ILE  20          HG21      ILE  20 -11.176  -7.420   0.189
  173   HG22  ILE  20          HG22      ILE  20 -10.085  -8.280  -0.885
  174   HG23  ILE  20          HG23      ILE  20 -10.196  -8.765   0.820
  175   HD11  ILE  20          HD11      ILE  20 -10.735  -4.926   1.505
  176   HD12  ILE  20          HD12      ILE  20 -11.370  -6.421   2.241
  177   HD13  ILE  20          HD13      ILE  20 -10.497  -5.246   3.234
  178    H    THR  21           H        THR  21  -7.236  -5.871  -1.530
  179    HA   THR  21           HA       THR  21  -7.638  -7.586  -3.875
  180    HB   THR  21           HB       THR  21  -6.939  -4.673  -4.117
  181    HG1  THR  21           HG1      THR  21  -8.403  -4.135  -2.786
  182   HG21  THR  21          HG21      THR  21  -8.771  -4.684  -5.768
  183   HG22  THR  21          HG22      THR  21  -7.564  -5.919  -6.160
  184   HG23  THR  21          HG23      THR  21  -9.101  -6.392  -5.402
  185    H    ASN  22           H        ASN  22  -4.882  -6.841  -2.122
  186    HA   ASN  22           HA       ASN  22  -2.725  -6.603  -2.446
  187    HB2  ASN  22           HB2      ASN  22  -1.596  -8.294  -3.624
  188    HB3  ASN  22           HB3      ASN  22  -3.085  -8.986  -2.991
  189   HD21  ASN  22          HD21      ASN  22  -1.882  -7.366  -5.972
  190   HD22  ASN  22          HD22      ASN  22  -2.697  -8.519  -7.058
  191    H    ALA  23           H        ALA  23  -4.373  -4.686  -4.067
  192    HA   ALA  23           HA       ALA  23  -2.643  -3.731  -6.164
  193    HB1  ALA  23           HB1      ALA  23  -5.057  -3.218  -6.030
  194    HB2  ALA  23           HB2      ALA  23  -4.793  -2.316  -4.519
  195    HB3  ALA  23           HB3      ALA  23  -4.087  -1.735  -6.038
  196    H    SER  24           H        SER  24  -1.759  -1.355  -5.974
  197    HA   SER  24           HA       SER  24  -0.738  -0.598  -3.338
  198    HB2  SER  24           HB2      SER  24   1.092  -1.573  -5.554
  199    HB3  SER  24           HB3      SER  24   1.649  -0.529  -4.228
  200    HG   SER  24           HG       SER  24   0.086  -2.742  -3.542
  201    H    GLN  25           H        GLN  25  -0.486   1.562  -3.153
  202    HA   GLN  25           HA       GLN  25  -0.600   3.275  -5.598
  203    HB2  GLN  25           HB2      GLN  25  -2.456   3.438  -3.187
  204    HB3  GLN  25           HB3      GLN  25  -2.435   4.557  -4.552
  205    HG2  GLN  25           HG2      GLN  25  -3.125   1.604  -4.797
  206    HG3  GLN  25           HG3      GLN  25  -4.287   2.884  -4.487
  207   HE21  GLN  25          HE21      GLN  25  -1.822   1.884  -6.973
  208   HE22  GLN  25          HE22      GLN  25  -2.686   2.708  -8.273
  209    H    PHE  26           H        PHE  26   0.141   5.261  -5.437
  210    HA   PHE  26           HA       PHE  26   1.466   6.212  -2.961
  211    HB2  PHE  26           HB2      PHE  26   1.484   7.136  -5.858
  212    HB3  PHE  26           HB3      PHE  26   2.276   8.011  -4.559
  213    HD1  PHE  26           HD1      PHE  26   4.110   6.919  -3.208
  214    HD2  PHE  26           HD2      PHE  26   2.566   5.181  -6.841
  215    HE1  PHE  26           HE1      PHE  26   6.136   5.527  -3.398
  216    HE2  PHE  26           HE2      PHE  26   4.592   3.756  -7.009
  217    HZ   PHE  26           HZ       PHE  26   6.381   3.926  -5.290
  218    H    GLU  27           H        GLU  27  -1.497   6.584  -4.656
  219    HA   GLU  27           HA       GLU  27  -2.039   9.314  -3.950
  220    HB2  GLU  27           HB2      GLU  27  -3.872   7.102  -4.956
  221    HB3  GLU  27           HB3      GLU  27  -4.241   8.835  -5.030
  222    HG2  GLU  27           HG2      GLU  27  -2.288   9.133  -6.577
  223    HG3  GLU  27           HG3      GLU  27  -2.070   7.378  -6.591
  224    H    ARG  28           H        ARG  28  -2.069   6.839  -2.144
  225    HA   ARG  28           HA       ARG  28  -3.392   5.767  -0.512
  226    HB2  ARG  28           HB2      ARG  28  -3.378   7.177   1.549
  227    HB3  ARG  28           HB3      ARG  28  -1.880   6.923   0.678
  228    HG2  ARG  28           HG2      ARG  28  -1.646   9.077   1.344
  229    HG3  ARG  28           HG3      ARG  28  -2.178   9.289  -0.304
  230    HD2  ARG  28           HD2      ARG  28  -3.276  10.905   1.054
  231    HD3  ARG  28           HD3      ARG  28  -4.503   9.755   0.570
  232    HE   ARG  28           HE       ARG  28  -3.142   9.865   3.261
  233   HH11  ARG  28          HH11      ARG  28  -5.997   8.721   1.492
  234   HH12  ARG  28          HH12      ARG  28  -6.908   8.659   3.027
  235   HH21  ARG  28          HH21      ARG  28  -4.417   9.273   5.097
  236   HH22  ARG  28          HH22      ARG  28  -6.073   8.754   4.768
  237    HA   PRO  29           HA       PRO  29  -7.338   7.447  -2.216
  238    HB2  PRO  29           HB2      PRO  29  -7.928   4.526  -2.574
  239    HB3  PRO  29           HB3      PRO  29  -8.299   5.898  -3.663
  240    HG2  PRO  29           HG2      PRO  29  -6.199   4.292  -4.205
  241    HG3  PRO  29           HG3      PRO  29  -6.003   6.073  -4.334
  242    HD2  PRO  29           HD2      PRO  29  -5.225   4.278  -2.012
  243    HD3  PRO  29           HD3      PRO  29  -4.260   5.511  -2.850
  244    H    SER  30           H        SER  30  -9.007   8.016  -0.994
  245    HA   SER  30           HA       SER  30 -10.450   8.250   0.682
  246    HB2  SER  30           HB2      SER  30 -11.431   7.032  -1.176
  247    HB3  SER  30           HB3      SER  30 -11.167   5.494  -0.318
  248    HG   SER  30           HG       SER  30 -12.304   6.640   1.477
  249    H    GLY  31           H        GLY  31  -8.055   6.293   1.756
  250    HA2  GLY  31           HA2      GLY  31  -9.378   6.019   4.445
  251    HA3  GLY  31           HA3      GLY  31  -8.148   4.894   3.848
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1  -1.811  -3.907  13.478
    2    H2   LYS   1           H2       LYS   1  -2.902  -5.140  13.606
    3    H3   LYS   1           H3       LYS   1  -3.171  -3.726  14.396
    4    HA   LYS   1           HA       LYS   1  -3.508  -2.548  12.357
    5    HB2  LYS   1           HB2      LYS   1  -1.848  -3.695  11.042
    6    HB3  LYS   1           HB3      LYS   1  -2.709  -5.220  11.132
    7    HG2  LYS   1           HG2      LYS   1  -4.206  -2.923   9.891
    8    HG3  LYS   1           HG3      LYS   1  -2.781  -3.501   9.033
    9    HD2  LYS   1           HD2      LYS   1  -3.652  -5.818   9.063
   10    HD3  LYS   1           HD3      LYS   1  -5.124  -5.267   9.840
   11    HE2  LYS   1           HE2      LYS   1  -4.125  -4.577   7.038
   12    HE3  LYS   1           HE3      LYS   1  -5.481  -5.617   7.479
   13    HZ1  LYS   1           HZ1      LYS   1  -6.329  -3.447   8.614
   14    HZ2  LYS   1           HZ2      LYS   1  -5.384  -2.698   7.431
   15    HZ3  LYS   1           HZ3      LYS   1  -6.593  -3.681   7.026
   16    H    LEU   2           H        LEU   2  -5.686  -2.206  12.093
   17    HA   LEU   2           HA       LEU   2  -7.538  -4.159  13.179
   18    HB2  LEU   2           HB2      LEU   2  -7.848  -1.398  11.935
   19    HB3  LEU   2           HB3      LEU   2  -9.232  -2.378  12.356
   20    HG   LEU   2           HG       LEU   2  -8.847  -0.734  14.043
   21   HD11  LEU   2          HD11      LEU   2  -8.131  -3.460  15.194
   22   HD12  LEU   2          HD12      LEU   2  -8.912  -2.107  16.026
   23   HD13  LEU   2          HD13      LEU   2  -9.768  -2.942  14.722
   24   HD21  LEU   2          HD21      LEU   2  -6.943  -0.625  15.496
   25   HD22  LEU   2          HD22      LEU   2  -6.173  -2.011  14.716
   26   HD23  LEU   2          HD23      LEU   2  -6.377  -0.473  13.827
   27    HA   PRO   3           HA       PRO   3  -8.447  -6.607   9.815
   28    HB2  PRO   3           HB2      PRO   3 -11.392  -5.979  10.097
   29    HB3  PRO   3           HB3      PRO   3 -10.595  -7.568   9.873
   30    HG2  PRO   3           HG2      PRO   3 -11.329  -6.792  12.348
   31    HG3  PRO   3           HG3      PRO   3  -9.704  -7.515  12.099
   32    HD2  PRO   3           HD2      PRO   3 -10.444  -4.595  12.371
   33    HD3  PRO   3           HD3      PRO   3  -9.091  -5.503  13.106
   34    HA   PRO   4           HA       PRO   4 -11.228  -3.927   6.715
   35    HB2  PRO   4           HB2      PRO   4  -9.711  -1.363   7.290
   36    HB3  PRO   4           HB3      PRO   4 -11.324  -1.559   6.519
   37    HG2  PRO   4           HG2      PRO   4 -11.209  -1.043   9.156
   38    HG3  PRO   4           HG3      PRO   4 -12.287  -2.360   8.580
   39    HD2  PRO   4           HD2      PRO   4  -9.542  -2.558   9.809
   40    HD3  PRO   4           HD3      PRO   4 -10.990  -3.567  10.116
   41    H    GLY   5           H        GLY   5 -10.785  -3.551   4.557
   42    HA2  GLY   5           HA2      GLY   5  -8.867  -5.138   3.488
   43    HA3  GLY   5           HA3      GLY   5  -9.742  -3.913   2.587
   44    H    TRP   6           H        TRP   6  -7.999  -1.869   4.420
   45    HA   TRP   6           HA       TRP   6  -5.659  -1.993   2.564
   46    HB2  TRP   6           HB2      TRP   6  -7.608  -0.073   2.539
   47    HB3  TRP   6           HB3      TRP   6  -6.339   0.630   3.596
   48    HD1  TRP   6           HD1      TRP   6  -4.168   1.484   2.454
   49    HE1  TRP   6           HE1      TRP   6  -3.624   2.079   0.013
   50    HE3  TRP   6           HE3      TRP   6  -7.928  -0.970   0.158
   51    HZ2  TRP   6           HZ2      TRP   6  -4.895   1.915  -2.523
   52    HZ3  TRP   6           HZ3      TRP   6  -8.371  -0.646  -2.308
   53    HH2  TRP   6           HH2      TRP   6  -6.844   0.795  -3.650
   54    H    GLU   7           H        GLU   7  -3.941  -0.609   3.192
   55    HA   GLU   7           HA       GLU   7  -3.042  -0.446   5.990
   56    HB2  GLU   7           HB2      GLU   7  -2.731  -2.759   4.225
   57    HB3  GLU   7           HB3      GLU   7  -1.147  -2.108   4.602
   58    HG2  GLU   7           HG2      GLU   7  -3.169  -2.612   6.812
   59    HG3  GLU   7           HG3      GLU   7  -2.135  -3.895   6.183
   60    H    LYS   8           H        LYS   8  -0.656   0.060   6.030
   61    HA   LYS   8           HA       LYS   8   0.236   1.706   3.705
   62    HB2  LYS   8           HB2      LYS   8   1.011   3.500   5.226
   63    HB3  LYS   8           HB3      LYS   8  -0.719   3.299   5.055
   64    HG2  LYS   8           HG2      LYS   8  -0.492   3.756   7.289
   65    HG3  LYS   8           HG3      LYS   8  -0.732   2.026   7.269
   66    HD2  LYS   8           HD2      LYS   8   2.112   2.398   7.146
   67    HD3  LYS   8           HD3      LYS   8   1.520   3.627   8.243
   68    HE2  LYS   8           HE2      LYS   8   2.073   1.748   9.566
   69    HE3  LYS   8           HE3      LYS   8   0.305   1.830   9.547
   70    HZ1  LYS   8           HZ1      LYS   8   1.748   0.145   7.598
   71    HZ2  LYS   8           HZ2      LYS   8   1.433  -0.430   9.124
   72    HZ3  LYS   8           HZ3      LYS   8   0.217  -0.052   8.100
   73    H    ARG   9           H        ARG   9   2.342   1.882   3.248
   74    HA   ARG   9           HA       ARG   9   4.297   0.082   4.606
   75    HB2  ARG   9           HB2      ARG   9   3.317   0.005   1.712
   76    HB3  ARG   9           HB3      ARG   9   4.763  -0.840   2.255
   77    HG2  ARG   9           HG2      ARG   9   1.969  -1.417   3.328
   78    HG3  ARG   9           HG3      ARG   9   2.735  -2.287   2.002
   79    HD2  ARG   9           HD2      ARG   9   4.507  -3.106   3.406
   80    HD3  ARG   9           HD3      ARG   9   4.026  -2.078   4.753
   81    HE   ARG   9           HE       ARG   9   2.755  -4.590   3.886
   82   HH11  ARG   9          HH11      ARG   9   2.226  -1.675   5.893
   83   HH12  ARG   9          HH12      ARG   9   1.162  -2.621   6.946
   84   HH21  ARG   9          HH21      ARG   9   1.259  -5.542   5.435
   85   HH22  ARG   9          HH22      ARG   9   0.602  -4.434   6.665
   86    H    MET  10           H        MET  10   6.484   0.255   3.501
   87    HA   MET  10           HA       MET  10   7.011   3.034   2.552
   88    HB2  MET  10           HB2      MET  10   8.540   1.279   4.494
   89    HB3  MET  10           HB3      MET  10   9.255   2.682   3.684
   90    HG2  MET  10           HG2      MET  10   8.582   3.486   5.774
   91    HG3  MET  10           HG3      MET  10   7.400   4.102   4.627
   92    HE1  MET  10           HE1      MET  10   5.306   3.762   7.905
   93    HE2  MET  10           HE2      MET  10   6.989   4.302   7.710
   94    HE3  MET  10           HE3      MET  10   5.746   4.815   6.543
   95    H    SER  11           H        SER  11   8.464   3.316   0.959
   96    HA   SER  11           HA       SER  11   9.500   0.921  -0.497
   97    HB2  SER  11           HB2      SER  11   7.496   1.694  -1.632
   98    HB3  SER  11           HB3      SER  11   8.084   3.372  -1.606
   99    HG   SER  11           HG       SER  11   9.926   2.540  -2.789
  100    H    CFD  12           H        CFD  12  10.965   2.313   1.383
  101    HA   CFD  12           HA       CFD  12  13.179   3.349  -0.256
  102   H1G1  CFD  12          H1G       CFD  12  12.872   5.484  -0.830
  103    HD   CFD  12           HD       CFD  12  13.054   7.518   1.389
  104    H    ARG  13           H        ARG  13  10.347   5.940   0.124
  105    HA   ARG  13           HA       ARG  13   8.540   8.160   0.917
  106    HB2  ARG  13           HB2      ARG  13   8.969   7.000  -1.739
  107    HB3  ARG  13           HB3      ARG  13   7.295   6.806  -1.264
  108    HG2  ARG  13           HG2      ARG  13   8.813   9.436  -1.236
  109    HG3  ARG  13           HG3      ARG  13   7.720   8.906  -2.520
  110    HD2  ARG  13           HD2      ARG  13   6.958   9.571   0.349
  111    HD3  ARG  13           HD3      ARG  13   6.665  10.559  -1.068
  112    HE   ARG  13           HE       ARG  13   5.368   7.889  -0.531
  113   HH11  ARG  13          HH11      ARG  13   5.063  11.000  -2.198
  114   HH12  ARG  13          HH12      ARG  13   3.392  10.652  -2.584
  115   HH21  ARG  13          HH21      ARG  13   3.398   7.587  -0.983
  116   HH22  ARG  13          HH22      ARG  13   2.442   8.717  -1.964
  117    H    VAL  14           H        VAL  14   6.461   7.683   1.350
  118    HA   VAL  14           HA       VAL  14   5.835   4.981   2.430
  119    HB   VAL  14           HB       VAL  14   4.318   7.605   2.714
  120   HG11  VAL  14          HG11      VAL  14   3.147   6.474   4.582
  121   HG12  VAL  14          HG12      VAL  14   2.828   5.662   3.053
  122   HG13  VAL  14          HG13      VAL  14   3.989   4.960   4.204
  123   HG21  VAL  14          HG21      VAL  14   6.472   7.779   3.864
  124   HG22  VAL  14          HG22      VAL  14   5.184   7.599   5.053
  125   HG23  VAL  14          HG23      VAL  14   6.214   6.208   4.649
  126    H    TYR  15           H        TYR  15   4.064   3.783   1.672
  127    HA   TYR  15           HA       TYR  15   2.342   4.923  -0.422
  128    HB2  TYR  15           HB2      TYR  15   2.581   3.232  -1.987
  129    HB3  TYR  15           HB3      TYR  15   4.210   3.692  -1.581
  130    HD1  TYR  15           HD1      TYR  15   5.640   2.135  -0.206
  131    HD2  TYR  15           HD2      TYR  15   1.722   1.014  -1.608
  132    HE1  TYR  15           HE1      TYR  15   6.269  -0.267  -0.035
  133    HE2  TYR  15           HE2      TYR  15   2.333  -1.394  -1.386
  134    HH   TYR  15           HH       TYR  15   5.582  -2.431  -0.328
  135    H    TYR  16           H        TYR  16   0.423   3.403  -0.829
  136    HA   TYR  16           HA       TYR  16  -0.407   2.113   1.757
  137    HB2  TYR  16           HB2      TYR  16  -1.755   4.224   0.066
  138    HB3  TYR  16           HB3      TYR  16  -2.659   3.120   1.086
  139    HD1  TYR  16           HD1      TYR  16   0.111   5.647   1.391
  140    HD2  TYR  16           HD2      TYR  16  -3.256   3.644   3.199
  141    HE1  TYR  16           HE1      TYR  16   0.202   7.212   3.332
  142    HE2  TYR  16           HE2      TYR  16  -3.207   5.222   5.083
  143    HH   TYR  16           HH       TYR  16  -2.122   7.038   6.031
  144    H    PHE  17           H        PHE  17  -1.570   0.215   1.540
  145    HA   PHE  17           HA       PHE  17  -2.385  -0.605  -1.178
  146    HB2  PHE  17           HB2      PHE  17  -0.570  -1.918  -1.402
  147    HB3  PHE  17           HB3      PHE  17   0.103  -1.145   0.022
  148    HD1  PHE  17           HD1      PHE  17  -0.646  -2.182   2.348
  149    HD2  PHE  17           HD2      PHE  17  -0.656  -4.263  -1.419
  150    HE1  PHE  17           HE1      PHE  17  -0.566  -4.358   3.554
  151    HE2  PHE  17           HE2      PHE  17  -0.557  -6.435  -0.221
  152    HZ   PHE  17           HZ       PHE  17  -0.516  -6.490   2.261
  153    H    ASN  18           H        ASN  18  -3.626  -2.274  -1.514
  154    HA   ASN  18           HA       ASN  18  -5.574  -2.945   0.541
  155    HB2  ASN  18           HB2      ASN  18  -6.099  -2.483  -1.867
  156    HB3  ASN  18           HB3      ASN  18  -5.201  -3.913  -2.321
  157   HD21  ASN  18          HD21      ASN  18  -8.139  -3.162  -2.587
  158   HD22  ASN  18          HD22      ASN  18  -8.846  -4.693  -2.079
  159    H    HIS  19           H        HIS  19  -5.413  -4.639   1.921
  160    HA   HIS  19           HA       HIS  19  -3.155  -6.493   1.652
  161    HB2  HIS  19           HB2      HIS  19  -3.370  -6.961   3.891
  162    HB3  HIS  19           HB3      HIS  19  -3.817  -5.270   3.797
  163    HD1  HIS  19           HD1      HIS  19  -5.572  -8.712   3.936
  164    HD2  HIS  19           HD2      HIS  19  -6.103  -4.680   4.986
  165    HE1  HIS  19           HE1      HIS  19  -7.680  -8.630   5.476
  166    HE2  HIS  19           HE2      HIS  19  -7.982  -6.152   6.142
  167    H    ILE  20           H        ILE  20  -6.019  -6.647   0.213
  168    HA   ILE  20           HA       ILE  20  -6.213  -9.633   0.334
  169    HB   ILE  20           HB       ILE  20  -8.421  -7.660  -0.381
  170   HG12  ILE  20          HG12      ILE  20  -7.889  -8.932   2.334
  171   HG13  ILE  20          HG13      ILE  20  -7.778  -7.211   1.932
  172   HG21  ILE  20          HG21      ILE  20  -9.893  -9.599  -0.106
  173   HG22  ILE  20          HG22      ILE  20  -8.625  -9.981  -1.260
  174   HG23  ILE  20          HG23      ILE  20  -8.516 -10.606   0.398
  175   HD11  ILE  20          HD11      ILE  20 -10.216  -7.185   1.410
  176   HD12  ILE  20          HD12      ILE  20 -10.324  -8.858   2.016
  177   HD13  ILE  20          HD13      ILE  20  -9.827  -7.553   3.101
  178    H    THR  21           H        THR  21  -6.637  -6.775  -1.726
  179    HA   THR  21           HA       THR  21  -6.434  -8.363  -4.207
  180    HB   THR  21           HB       THR  21  -7.068  -5.416  -3.994
  181    HG1  THR  21           HG1      THR  21  -8.949  -7.489  -3.666
  182   HG21  THR  21          HG21      THR  21  -7.010  -6.207  -6.278
  183   HG22  THR  21          HG22      THR  21  -8.058  -7.588  -5.878
  184   HG23  THR  21          HG23      THR  21  -8.685  -5.920  -5.814
  185    H    ASN  22           H        ASN  22  -4.212  -6.705  -2.331
  186    HA   ASN  22           HA       ASN  22  -2.297  -5.675  -2.561
  187    HB2  ASN  22           HB2      ASN  22  -0.623  -6.707  -3.790
  188    HB3  ASN  22           HB3      ASN  22  -1.780  -7.966  -3.371
  189   HD21  ASN  22          HD21      ASN  22  -1.037  -5.662  -6.045
  190   HD22  ASN  22          HD22      ASN  22  -1.380  -6.862  -7.310
  191    H    ALA  23           H        ALA  23  -4.575  -4.549  -4.528
  192    HA   ALA  23           HA       ALA  23  -3.334  -2.736  -6.261
  193    HB1  ALA  23           HB1      ALA  23  -5.783  -3.009  -6.045
  194    HB2  ALA  23           HB2      ALA  23  -5.731  -2.281  -4.420
  195    HB3  ALA  23           HB3      ALA  23  -5.314  -1.307  -5.846
  196    H    SER  24           H        SER  24  -1.880  -1.138  -5.942
  197    HA   SER  24           HA       SER  24  -1.289  -0.215  -3.161
  198    HB2  SER  24           HB2      SER  24   0.669  -1.125  -5.309
  199    HB3  SER  24           HB3      SER  24   1.095  -0.481  -3.717
  200    HG   SER  24           HG       SER  24  -0.393  -2.902  -4.195
  201    H    GLN  25           H        GLN  25  -0.842   1.938  -2.956
  202    HA   GLN  25           HA       GLN  25  -0.592   3.615  -5.425
  203    HB2  GLN  25           HB2      GLN  25  -2.476   4.078  -3.070
  204    HB3  GLN  25           HB3      GLN  25  -2.211   5.170  -4.433
  205    HG2  GLN  25           HG2      GLN  25  -2.990   3.297  -5.964
  206    HG3  GLN  25           HG3      GLN  25  -3.452   2.403  -4.501
  207   HE21  GLN  25          HE21      GLN  25  -4.008   5.498  -6.301
  208   HE22  GLN  25          HE22      GLN  25  -5.626   5.736  -5.596
  209    H    PHE  26           H        PHE  26   0.425   5.484  -5.281
  210    HA   PHE  26           HA       PHE  26   1.835   6.247  -2.744
  211    HB2  PHE  26           HB2      PHE  26   2.523   6.723  -5.662
  212    HB3  PHE  26           HB3      PHE  26   3.250   7.635  -4.351
  213    HD1  PHE  26           HD1      PHE  26   2.796   4.119  -5.608
  214    HD2  PHE  26           HD2      PHE  26   5.142   6.808  -3.188
  215    HE1  PHE  26           HE1      PHE  26   4.502   2.347  -5.286
  216    HE2  PHE  26           HE2      PHE  26   6.860   5.039  -2.900
  217    HZ   PHE  26           HZ       PHE  26   6.540   2.807  -3.943
  218    H    GLU  27           H        GLU  27  -0.651   7.054  -5.016
  219    HA   GLU  27           HA       GLU  27  -1.001   9.803  -4.283
  220    HB2  GLU  27           HB2      GLU  27  -3.123   7.963  -5.347
  221    HB3  GLU  27           HB3      GLU  27  -2.862   9.658  -5.787
  222    HG2  GLU  27           HG2      GLU  27  -2.319   8.556  -7.749
  223    HG3  GLU  27           HG3      GLU  27  -0.716   8.635  -7.010
  224    H    ARG  28           H        ARG  28  -1.407   7.253  -2.648
  225    HA   ARG  28           HA       ARG  28  -2.548   6.214  -1.054
  226    HB2  ARG  28           HB2      ARG  28  -2.198   7.401   0.674
  227    HB3  ARG  28           HB3      ARG  28  -2.188   8.868  -0.241
  228    HG2  ARG  28           HG2      ARG  28  -4.811   7.769   0.869
  229    HG3  ARG  28           HG3      ARG  28  -3.664   8.626   1.881
  230    HD2  ARG  28           HD2      ARG  28  -5.321  10.182   1.151
  231    HD3  ARG  28           HD3      ARG  28  -3.774  10.605   0.412
  232    HE   ARG  28           HE       ARG  28  -4.529   9.589  -1.688
  233   HH11  ARG  28          HH11      ARG  28  -7.146  10.645   0.460
  234   HH12  ARG  28          HH12      ARG  28  -8.364  10.363  -0.770
  235   HH21  ARG  28          HH21      ARG  28  -6.160   8.937  -2.961
  236   HH22  ARG  28          HH22      ARG  28  -7.735   9.745  -2.790
  237    HA   PRO  29           HA       PRO  29  -6.090   4.098  -1.712
  238    HB2  PRO  29           HB2      PRO  29  -7.606   5.423   0.514
  239    HB3  PRO  29           HB3      PRO  29  -7.303   3.685   0.197
  240    HG2  PRO  29           HG2      PRO  29  -5.770   5.599   1.796
  241    HG3  PRO  29           HG3      PRO  29  -5.514   3.833   1.662
  242    HD2  PRO  29           HD2      PRO  29  -3.724   5.575   0.672
  243    HD3  PRO  29           HD3      PRO  29  -4.127   4.078  -0.237
  244    H    SER  30           H        SER  30  -7.813   3.980  -2.957
  245    HA   SER  30           HA       SER  30  -8.758   6.044  -4.520
  246    HB2  SER  30           HB2      SER  30 -10.415   4.451  -5.314
  247    HB3  SER  30           HB3      SER  30  -8.860   3.630  -5.054
  248    HG   SER  30           HG       SER  30 -10.921   3.795  -3.130
  249    H    GLY  31           H        GLY  31  -9.257   7.748  -3.218
  250    HA2  GLY  31           HA2      GLY  31 -11.840   8.685  -2.852
  251    HA3  GLY  31           HA3      GLY  31 -11.302   8.009  -1.286
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -16.352   3.416  -4.946
    2    H2   LYS   1           H2       LYS   1 -14.844   3.316  -4.366
    3    H3   LYS   1           H3       LYS   1 -15.734   1.932  -4.527
    4    HA   LYS   1           HA       LYS   1 -15.743   2.222  -6.947
    5    HB2  LYS   1           HB2      LYS   1 -13.847   4.520  -6.311
    6    HB3  LYS   1           HB3      LYS   1 -14.127   3.841  -7.913
    7    HG2  LYS   1           HG2      LYS   1 -16.477   4.495  -7.858
    8    HG3  LYS   1           HG3      LYS   1 -16.328   5.111  -6.218
    9    HD2  LYS   1           HD2      LYS   1 -14.904   6.197  -8.680
   10    HD3  LYS   1           HD3      LYS   1 -16.300   6.924  -7.894
   11    HE2  LYS   1           HE2      LYS   1 -13.524   6.604  -6.656
   12    HE3  LYS   1           HE3      LYS   1 -14.186   8.087  -7.340
   13    HZ1  LYS   1           HZ1      LYS   1 -15.902   8.038  -5.603
   14    HZ2  LYS   1           HZ2      LYS   1 -15.253   6.644  -4.972
   15    HZ3  LYS   1           HZ3      LYS   1 -14.384   8.005  -4.927
   16    H    LEU   2           H        LEU   2 -12.836   2.829  -4.899
   17    HA   LEU   2           HA       LEU   2 -11.469   0.495  -6.115
   18    HB2  LEU   2           HB2      LEU   2 -10.740   2.746  -4.226
   19    HB3  LEU   2           HB3      LEU   2  -9.697   1.344  -4.341
   20    HG   LEU   2           HG       LEU   2 -10.519   2.959  -6.793
   21   HD11  LEU   2          HD11      LEU   2  -8.336   4.064  -6.665
   22   HD12  LEU   2          HD12      LEU   2  -9.327   4.433  -5.246
   23   HD13  LEU   2          HD13      LEU   2  -7.989   3.253  -5.130
   24   HD21  LEU   2          HD21      LEU   2  -8.203   1.027  -6.304
   25   HD22  LEU   2          HD22      LEU   2  -9.645   0.688  -7.291
   26   HD23  LEU   2          HD23      LEU   2  -8.502   1.932  -7.796
   27    HA   PRO   3           HA       PRO   3 -12.726  -2.383  -3.135
   28    HB2  PRO   3           HB2      PRO   3 -10.481  -3.869  -2.475
   29    HB3  PRO   3           HB3      PRO   3 -11.327  -3.952  -4.051
   30    HG2  PRO   3           HG2      PRO   3  -8.892  -2.283  -3.334
   31    HG3  PRO   3           HG3      PRO   3  -9.115  -3.362  -4.750
   32    HD2  PRO   3           HD2      PRO   3  -9.501  -0.718  -4.963
   33    HD3  PRO   3           HD3      PRO   3 -10.627  -1.843  -5.770
   34    HA   PRO   4           HA       PRO   4 -11.908  -0.958   1.057
   35    HB2  PRO   4           HB2      PRO   4 -13.135  -2.849   2.560
   36    HB3  PRO   4           HB3      PRO   4 -14.058  -1.817   1.425
   37    HG2  PRO   4           HG2      PRO   4 -12.995  -4.624   0.936
   38    HG3  PRO   4           HG3      PRO   4 -14.664  -4.020   0.681
   39    HD2  PRO   4           HD2      PRO   4 -12.813  -4.143  -1.338
   40    HD3  PRO   4           HD3      PRO   4 -14.046  -2.847  -1.258
   41    H    GLY   5           H        GLY   5 -10.932  -1.705   3.183
   42    HA2  GLY   5           HA2      GLY   5  -9.438  -2.821   4.526
   43    HA3  GLY   5           HA3      GLY   5  -9.457  -4.152   3.371
   44    H    TRP   6           H        TRP   6  -7.834  -1.146   4.294
   45    HA   TRP   6           HA       TRP   6  -5.547  -1.802   2.489
   46    HB2  TRP   6           HB2      TRP   6  -6.665   0.897   3.281
   47    HB3  TRP   6           HB3      TRP   6  -5.128   0.642   2.461
   48    HD1  TRP   6           HD1      TRP   6  -8.865  -0.065   1.755
   49    HE1  TRP   6           HE1      TRP   6  -9.282   0.163  -0.761
   50    HE3  TRP   6           HE3      TRP   6  -4.085   0.885   0.264
   51    HZ2  TRP   6           HZ2      TRP   6  -7.749   1.001  -3.078
   52    HZ3  TRP   6           HZ3      TRP   6  -3.565   1.310  -2.134
   53    HH2  TRP   6           HH2      TRP   6  -5.400   1.369  -3.814
   54    H    GLU   7           H        GLU   7  -3.473  -1.047   3.115
   55    HA   GLU   7           HA       GLU   7  -2.996  -0.289   5.930
   56    HB2  GLU   7           HB2      GLU   7  -2.671  -2.898   4.926
   57    HB3  GLU   7           HB3      GLU   7  -1.060  -2.226   4.800
   58    HG2  GLU   7           HG2      GLU   7  -2.720  -2.236   7.357
   59    HG3  GLU   7           HG3      GLU   7  -1.507  -3.447   6.935
   60    H    LYS   8           H        LYS   8  -0.872   0.677   6.195
   61    HA   LYS   8           HA       LYS   8   0.209   1.927   3.719
   62    HB2  LYS   8           HB2      LYS   8   1.580   3.357   5.216
   63    HB3  LYS   8           HB3      LYS   8  -0.147   3.580   5.235
   64    HG2  LYS   8           HG2      LYS   8   0.270   3.863   7.391
   65    HG3  LYS   8           HG3      LYS   8  -0.163   2.182   7.434
   66    HD2  LYS   8           HD2      LYS   8   2.710   3.240   7.359
   67    HD3  LYS   8           HD3      LYS   8   1.818   2.979   8.850
   68    HE2  LYS   8           HE2      LYS   8   2.584   0.827   6.858
   69    HE3  LYS   8           HE3      LYS   8   3.381   1.139   8.389
   70    HZ1  LYS   8           HZ1      LYS   8   0.494   0.420   8.218
   71    HZ2  LYS   8           HZ2      LYS   8   1.564  -0.695   8.298
   72    HZ3  LYS   8           HZ3      LYS   8   1.455   0.396   9.564
   73    H    ARG   9           H        ARG   9   2.376   1.891   3.186
   74    HA   ARG   9           HA       ARG   9   4.095  -0.340   4.185
   75    HB2  ARG   9           HB2      ARG   9   3.223   0.193   1.319
   76    HB3  ARG   9           HB3      ARG   9   4.476  -0.957   1.772
   77    HG2  ARG   9           HG2      ARG   9   1.525  -1.227   2.522
   78    HG3  ARG   9           HG3      ARG   9   2.314  -1.941   1.125
   79    HD2  ARG   9           HD2      ARG   9   2.394  -3.722   2.461
   80    HD3  ARG   9           HD3      ARG   9   3.960  -3.010   2.868
   81    HE   ARG   9           HE       ARG   9   2.081  -1.968   4.721
   82   HH11  ARG   9          HH11      ARG   9   3.441  -5.093   3.909
   83   HH12  ARG   9          HH12      ARG   9   3.071  -5.792   5.463
   84   HH21  ARG   9          HH21      ARG   9   1.482  -2.972   6.722
   85   HH22  ARG   9          HH22      ARG   9   2.054  -4.588   7.016
   86    H    MET  10           H        MET  10   6.342  -0.107   3.115
   87    HA   MET  10           HA       MET  10   6.963   2.753   2.538
   88    HB2  MET  10           HB2      MET  10   7.784   1.423   4.762
   89    HB3  MET  10           HB3      MET  10   9.067   0.968   3.634
   90    HG2  MET  10           HG2      MET  10   9.780   2.931   4.805
   91    HG3  MET  10           HG3      MET  10   9.438   3.399   3.141
   92    HE1  MET  10           HE1      MET  10   9.424   5.903   3.673
   93    HE2  MET  10           HE2      MET  10   8.509   6.667   4.990
   94    HE3  MET  10           HE3      MET  10   9.851   5.562   5.365
   95    H    SER  11           H        SER  11   8.683   3.179   1.133
   96    HA   SER  11           HA       SER  11  10.124   1.040  -0.247
   97    HB2  SER  11           HB2      SER  11   7.902   2.578  -1.604
   98    HB3  SER  11           HB3      SER  11   9.326   2.022  -2.541
   99    HG   SER  11           HG       SER  11   8.043   0.296  -0.717
  100    H    CFD  12           H        CFD  12  12.093   1.765  -0.060
  101    HA   CFD  12           HA       CFD  12  13.134   4.181  -1.086
  102   H1G1  CFD  12          H1G       CFD  12  12.890   6.266  -0.415
  103    HD   CFD  12           HD       CFD  12  12.766   6.889   2.580
  104    H    ARG  13           H        ARG  13  10.436   5.998   0.261
  105    HA   ARG  13           HA       ARG  13   8.450   8.031   1.145
  106    HB2  ARG  13           HB2      ARG  13   9.114   8.022  -1.213
  107    HB3  ARG  13           HB3      ARG  13   8.648   6.335  -1.371
  108    HG2  ARG  13           HG2      ARG  13   7.051   7.901  -2.387
  109    HG3  ARG  13           HG3      ARG  13   6.304   6.879  -1.165
  110    HD2  ARG  13           HD2      ARG  13   5.994   8.673   0.337
  111    HD3  ARG  13           HD3      ARG  13   7.316   9.603  -0.366
  112    HE   ARG  13           HE       ARG  13   5.948  10.382  -2.073
  113   HH11  ARG  13          HH11      ARG  13   3.845   8.109  -0.211
  114   HH12  ARG  13          HH12      ARG  13   2.448   9.122  -0.667
  115   HH21  ARG  13          HH21      ARG  13   3.968  11.376  -2.575
  116   HH22  ARG  13          HH22      ARG  13   2.514  10.660  -1.843
  117    H    VAL  14           H        VAL  14   6.537   7.563   1.966
  118    HA   VAL  14           HA       VAL  14   5.808   4.785   2.625
  119    HB   VAL  14           HB       VAL  14   5.606   6.578   4.319
  120   HG11  VAL  14          HG11      VAL  14   3.292   7.657   2.655
  121   HG12  VAL  14          HG12      VAL  14   3.805   8.205   4.259
  122   HG13  VAL  14          HG13      VAL  14   4.862   8.462   2.869
  123   HG21  VAL  14          HG21      VAL  14   4.266   4.544   4.522
  124   HG22  VAL  14          HG22      VAL  14   3.394   5.945   5.152
  125   HG23  VAL  14          HG23      VAL  14   2.955   5.279   3.568
  126    H    TYR  15           H        TYR  15   4.050   3.710   1.749
  127    HA   TYR  15           HA       TYR  15   2.383   5.102  -0.244
  128    HB2  TYR  15           HB2      TYR  15   2.691   3.650  -1.992
  129    HB3  TYR  15           HB3      TYR  15   4.315   3.933  -1.433
  130    HD1  TYR  15           HD1      TYR  15   1.540   1.535  -1.745
  131    HD2  TYR  15           HD2      TYR  15   5.683   2.029  -0.633
  132    HE1  TYR  15           HE1      TYR  15   1.833  -0.922  -1.792
  133    HE2  TYR  15           HE2      TYR  15   5.964  -0.458  -0.701
  134    HH   TYR  15           HH       TYR  15   3.305  -2.650  -1.609
  135    H    TYR  16           H        TYR  16   0.491   3.609  -0.919
  136    HA   TYR  16           HA       TYR  16  -0.570   2.299   1.542
  137    HB2  TYR  16           HB2      TYR  16  -1.410   4.687   0.593
  138    HB3  TYR  16           HB3      TYR  16  -2.376   3.628  -0.427
  139    HD1  TYR  16           HD1      TYR  16  -1.336   3.777   3.203
  140    HD2  TYR  16           HD2      TYR  16  -4.561   3.383   0.378
  141    HE1  TYR  16           HE1      TYR  16  -2.964   3.593   5.086
  142    HE2  TYR  16           HE2      TYR  16  -6.195   3.273   2.246
  143    HH   TYR  16           HH       TYR  16  -6.471   3.233   4.534
  144    H    PHE  17           H        PHE  17  -1.507   0.360   1.341
  145    HA   PHE  17           HA       PHE  17  -1.889  -0.788  -1.378
  146    HB2  PHE  17           HB2      PHE  17  -0.127  -2.032  -1.140
  147    HB3  PHE  17           HB3      PHE  17   0.250  -1.253   0.389
  148    HD1  PHE  17           HD1      PHE  17  -0.679  -2.288   2.540
  149    HD2  PHE  17           HD2      PHE  17  -0.714  -4.328  -1.250
  150    HE1  PHE  17           HE1      PHE  17  -0.918  -4.468   3.720
  151    HE2  PHE  17           HE2      PHE  17  -0.983  -6.502  -0.077
  152    HZ   PHE  17           HZ       PHE  17  -1.079  -6.575   2.405
  153    H    ASN  18           H        ASN  18  -3.364  -2.314  -1.664
  154    HA   ASN  18           HA       ASN  18  -5.470  -2.470   0.370
  155    HB2  ASN  18           HB2      ASN  18  -5.871  -2.110  -2.109
  156    HB3  ASN  18           HB3      ASN  18  -5.375  -3.778  -2.372
  157   HD21  ASN  18          HD21      ASN  18  -7.769  -1.731  -0.605
  158   HD22  ASN  18          HD22      ASN  18  -8.860  -3.085  -0.293
  159    H    HIS  19           H        HIS  19  -5.569  -4.037   1.909
  160    HA   HIS  19           HA       HIS  19  -3.678  -6.282   1.696
  161    HB2  HIS  19           HB2      HIS  19  -3.840  -6.556   4.009
  162    HB3  HIS  19           HB3      HIS  19  -3.734  -4.829   3.708
  163    HD1  HIS  19           HD1      HIS  19  -6.682  -7.301   4.085
  164    HD2  HIS  19           HD2      HIS  19  -5.200  -3.631   5.515
  165    HE1  HIS  19           HE1      HIS  19  -8.403  -6.450   5.855
  166    HE2  HIS  19           HE2      HIS  19  -7.452  -4.200   6.714
  167    H    ILE  20           H        ILE  20  -6.376  -6.098   0.237
  168    HA   ILE  20           HA       ILE  20  -7.044  -8.987   0.636
  169    HB   ILE  20           HB       ILE  20  -8.869  -6.848  -0.537
  170   HG12  ILE  20          HG12      ILE  20  -8.733  -7.797   2.347
  171   HG13  ILE  20          HG13      ILE  20  -8.467  -6.160   1.724
  172   HG21  ILE  20          HG21      ILE  20  -9.286  -9.198  -1.204
  173   HG22  ILE  20          HG22      ILE  20  -9.443  -9.652   0.509
  174   HG23  ILE  20          HG23      ILE  20 -10.610  -8.544  -0.254
  175   HD11  ILE  20          HD11      ILE  20 -10.640  -6.191   2.713
  176   HD12  ILE  20          HD12      ILE  20 -10.873  -6.128   0.954
  177   HD13  ILE  20          HD13      ILE  20 -11.110  -7.654   1.838
  178    H    THR  21           H        THR  21  -6.798  -6.333  -1.681
  179    HA   THR  21           HA       THR  21  -6.729  -8.127  -4.007
  180    HB   THR  21           HB       THR  21  -6.725  -5.111  -4.138
  181    HG1  THR  21           HG1      THR  21  -8.248  -5.429  -2.627
  182   HG21  THR  21          HG21      THR  21  -8.200  -7.239  -5.736
  183   HG22  THR  21          HG22      THR  21  -8.319  -5.483  -5.984
  184   HG23  THR  21          HG23      THR  21  -6.784  -6.307  -6.282
  185    H    ASN  22           H        ASN  22  -4.396  -6.472  -2.129
  186    HA   ASN  22           HA       ASN  22  -2.372  -5.777  -2.287
  187    HB2  ASN  22           HB2      ASN  22  -0.867  -7.249  -2.934
  188    HB3  ASN  22           HB3      ASN  22  -2.239  -8.257  -3.370
  189   HD21  ASN  22          HD21      ASN  22  -3.061  -7.445  -5.828
  190   HD22  ASN  22          HD22      ASN  22  -1.679  -7.520  -6.944
  191    H    ALA  23           H        ALA  23  -4.388  -4.807  -4.690
  192    HA   ALA  23           HA       ALA  23  -3.035  -3.107  -6.364
  193    HB1  ALA  23           HB1      ALA  23  -4.997  -1.610  -6.153
  194    HB2  ALA  23           HB2      ALA  23  -5.494  -3.312  -6.245
  195    HB3  ALA  23           HB3      ALA  23  -5.503  -2.464  -4.680
  196    H    SER  24           H        SER  24  -1.554  -1.561  -6.127
  197    HA   SER  24           HA       SER  24  -1.048  -0.366  -3.433
  198    HB2  SER  24           HB2      SER  24   0.876  -1.664  -5.403
  199    HB3  SER  24           HB3      SER  24   1.374  -0.708  -4.003
  200    HG   SER  24           HG       SER  24  -0.198  -3.126  -3.923
  201    H    GLN  25           H        GLN  25  -0.566   1.752  -3.377
  202    HA   GLN  25           HA       GLN  25   0.242   3.293  -5.747
  203    HB2  GLN  25           HB2      GLN  25  -1.833   4.805  -5.378
  204    HB3  GLN  25           HB3      GLN  25  -2.017   3.321  -6.306
  205    HG2  GLN  25           HG2      GLN  25  -3.060   2.171  -4.429
  206    HG3  GLN  25           HG3      GLN  25  -2.758   3.541  -3.361
  207   HE21  GLN  25          HE21      GLN  25  -4.138   5.399  -3.543
  208   HE22  GLN  25          HE22      GLN  25  -5.575   5.376  -4.588
  209    H    PHE  26           H        PHE  26   0.800   5.579  -5.149
  210    HA   PHE  26           HA       PHE  26   2.106   5.614  -2.609
  211    HB2  PHE  26           HB2      PHE  26   1.659   7.736  -4.713
  212    HB3  PHE  26           HB3      PHE  26   2.500   8.073  -3.208
  213    HD1  PHE  26           HD1      PHE  26   4.362   6.291  -2.514
  214    HD2  PHE  26           HD2      PHE  26   3.041   7.058  -6.548
  215    HE1  PHE  26           HE1      PHE  26   6.470   5.314  -3.391
  216    HE2  PHE  26           HE2      PHE  26   5.162   6.107  -7.418
  217    HZ   PHE  26           HZ       PHE  26   6.874   5.230  -5.843
  218    H    GLU  27           H        GLU  27  -1.030   6.966  -3.524
  219    HA   GLU  27           HA       GLU  27  -1.410   7.879  -0.716
  220    HB2  GLU  27           HB2      GLU  27  -2.569   8.937  -3.316
  221    HB3  GLU  27           HB3      GLU  27  -2.917   9.584  -1.704
  222    HG2  GLU  27           HG2      GLU  27  -0.284   9.645  -3.220
  223    HG3  GLU  27           HG3      GLU  27  -1.290  11.022  -2.764
  224    H    ARG  28           H        ARG  28  -3.869   8.154  -0.282
  225    HA   ARG  28           HA       ARG  28  -4.919   5.483  -0.161
  226    HB2  ARG  28           HB2      ARG  28  -6.096   8.170   0.639
  227    HB3  ARG  28           HB3      ARG  28  -6.801   6.626   1.083
  228    HG2  ARG  28           HG2      ARG  28  -5.306   6.202   2.725
  229    HG3  ARG  28           HG3      ARG  28  -3.930   6.781   1.824
  230    HD2  ARG  28           HD2      ARG  28  -5.922   8.445   3.399
  231    HD3  ARG  28           HD3      ARG  28  -4.237   8.141   3.814
  232    HE   ARG  28           HE       ARG  28  -5.243  10.234   2.168
  233   HH11  ARG  28          HH11      ARG  28  -2.333   8.154   2.229
  234   HH12  ARG  28          HH12      ARG  28  -1.513   9.316   1.146
  235   HH21  ARG  28          HH21      ARG  28  -3.907  11.583   0.862
  236   HH22  ARG  28          HH22      ARG  28  -2.284  10.958   0.490
  237    HA   PRO  29           HA       PRO  29  -7.791   5.294  -3.611
  238    HB2  PRO  29           HB2      PRO  29 -10.087   4.270  -2.434
  239    HB3  PRO  29           HB3      PRO  29  -8.641   3.285  -2.816
  240    HG2  PRO  29           HG2      PRO  29  -9.284   4.650  -0.170
  241    HG3  PRO  29           HG3      PRO  29  -8.915   2.919  -0.450
  242    HD2  PRO  29           HD2      PRO  29  -6.919   4.496   0.274
  243    HD3  PRO  29           HD3      PRO  29  -6.676   3.437  -1.161
  244    H    SER  30           H        SER  30  -9.420   6.533  -4.552
  245    HA   SER  30           HA       SER  30 -10.373   8.907  -3.217
  246    HB2  SER  30           HB2      SER  30 -11.267   9.414  -5.449
  247    HB3  SER  30           HB3      SER  30  -9.585   8.849  -5.530
  248    HG   SER  30           HG       SER  30 -10.756   7.787  -7.096
  249    H    GLY  31           H        GLY  31 -11.392   6.181  -2.306
  250    HA2  GLY  31           HA2      GLY  31 -13.353   5.318  -1.421
  251    HA3  GLY  31           HA3      GLY  31 -14.255   6.704  -2.052
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1  -6.058   3.366  -6.360
    2    H2   LYS   1           H2       LYS   1  -6.493   4.933  -6.622
    3    H3   LYS   1           H3       LYS   1  -7.315   3.708  -7.375
    4    HA   LYS   1           HA       LYS   1  -7.193   3.831  -4.477
    5    HB2  LYS   1           HB2      LYS   1  -9.286   4.995  -4.337
    6    HB3  LYS   1           HB3      LYS   1  -8.081   6.012  -5.091
    7    HG2  LYS   1           HG2      LYS   1 -10.126   4.460  -6.747
    8    HG3  LYS   1           HG3      LYS   1 -10.542   5.976  -5.982
    9    HD2  LYS   1           HD2      LYS   1  -8.261   5.708  -7.979
   10    HD3  LYS   1           HD3      LYS   1  -9.909   6.160  -8.400
   11    HE2  LYS   1           HE2      LYS   1  -9.840   8.175  -7.148
   12    HE3  LYS   1           HE3      LYS   1  -8.369   7.699  -6.285
   13    HZ1  LYS   1           HZ1      LYS   1  -8.323   8.099  -9.204
   14    HZ2  LYS   1           HZ2      LYS   1  -8.015   9.318  -8.124
   15    HZ3  LYS   1           HZ3      LYS   1  -7.052   8.032  -8.130
   16    H    LEU   2           H        LEU   2  -8.864   2.486  -3.492
   17    HA   LEU   2           HA       LEU   2 -10.428   0.692  -5.122
   18    HB2  LEU   2           HB2      LEU   2  -7.911  -0.213  -3.664
   19    HB3  LEU   2           HB3      LEU   2  -9.249  -1.317  -3.892
   20    HG   LEU   2           HG       LEU   2  -7.560  -0.072  -6.084
   21   HD11  LEU   2          HD11      LEU   2  -6.926  -2.394  -6.471
   22   HD12  LEU   2          HD12      LEU   2  -6.631  -1.964  -4.768
   23   HD13  LEU   2          HD13      LEU   2  -8.049  -2.934  -5.207
   24   HD21  LEU   2          HD21      LEU   2  -8.862  -1.550  -7.640
   25   HD22  LEU   2          HD22      LEU   2 -10.012  -1.892  -6.332
   26   HD23  LEU   2          HD23      LEU   2  -9.851  -0.246  -6.997
   27    HA   PRO   3           HA       PRO   3 -13.020   0.498  -1.611
   28    HB2  PRO   3           HB2      PRO   3 -12.940  -2.524  -1.791
   29    HB3  PRO   3           HB3      PRO   3 -14.368  -1.451  -1.637
   30    HG2  PRO   3           HG2      PRO   3 -13.738  -2.455  -4.046
   31    HG3  PRO   3           HG3      PRO   3 -14.154  -0.711  -3.905
   32    HD2  PRO   3           HD2      PRO   3 -11.411  -1.992  -4.020
   33    HD3  PRO   3           HD3      PRO   3 -12.044  -0.592  -4.936
   34    HA   PRO   4           HA       PRO   4 -11.179   0.036   2.280
   35    HB2  PRO   4           HB2      PRO   4 -13.477  -1.692   3.221
   36    HB3  PRO   4           HB3      PRO   4 -12.720  -0.283   4.035
   37    HG2  PRO   4           HG2      PRO   4 -15.020   0.062   2.677
   38    HG3  PRO   4           HG3      PRO   4 -13.683   1.238   2.439
   39    HD2  PRO   4           HD2      PRO   4 -14.447  -1.123   0.699
   40    HD3  PRO   4           HD3      PRO   4 -14.076   0.560   0.220
   41    H    GLY   5           H        GLY   5 -10.271  -1.270   4.008
   42    HA2  GLY   5           HA2      GLY   5  -9.104  -3.181   4.793
   43    HA3  GLY   5           HA3      GLY   5  -9.547  -4.067   3.325
   44    H    TRP   6           H        TRP   6  -7.233  -1.928   4.806
   45    HA   TRP   6           HA       TRP   6  -5.416  -1.993   2.470
   46    HB2  TRP   6           HB2      TRP   6  -6.491   0.499   3.817
   47    HB3  TRP   6           HB3      TRP   6  -4.985   0.475   2.929
   48    HD1  TRP   6           HD1      TRP   6  -8.731  -0.121   2.158
   49    HE1  TRP   6           HE1      TRP   6  -9.218   0.840  -0.176
   50    HE3  TRP   6           HE3      TRP   6  -3.963   0.992   0.757
   51    HZ2  TRP   6           HZ2      TRP   6  -7.775   2.535  -2.012
   52    HZ3  TRP   6           HZ3      TRP   6  -3.536   2.290  -1.340
   53    HH2  TRP   6           HH2      TRP   6  -5.429   3.101  -2.700
   54    H    GLU   7           H        GLU   7  -3.236  -1.233   3.042
   55    HA   GLU   7           HA       GLU   7  -2.572  -1.175   5.948
   56    HB2  GLU   7           HB2      GLU   7  -2.134  -3.320   4.340
   57    HB3  GLU   7           HB3      GLU   7  -0.619  -2.428   4.111
   58    HG2  GLU   7           HG2      GLU   7  -0.242  -2.548   6.561
   59    HG3  GLU   7           HG3      GLU   7  -1.777  -3.446   6.707
   60    H    LYS   8           H        LYS   8  -0.648  -0.055   6.409
   61    HA   LYS   8           HA       LYS   8   0.094   2.066   4.443
   62    HB2  LYS   8           HB2      LYS   8   0.439   2.194   7.462
   63    HB3  LYS   8           HB3      LYS   8   0.503   3.514   6.285
   64    HG2  LYS   8           HG2      LYS   8  -1.962   3.074   5.811
   65    HG3  LYS   8           HG3      LYS   8  -1.952   1.917   7.151
   66    HD2  LYS   8           HD2      LYS   8  -1.243   3.754   8.701
   67    HD3  LYS   8           HD3      LYS   8  -1.368   4.893   7.349
   68    HE2  LYS   8           HE2      LYS   8  -3.793   3.920   7.066
   69    HE3  LYS   8           HE3      LYS   8  -3.553   3.255   8.689
   70    HZ1  LYS   8           HZ1      LYS   8  -2.976   5.698   9.259
   71    HZ2  LYS   8           HZ2      LYS   8  -3.738   6.062   7.824
   72    HZ3  LYS   8           HZ3      LYS   8  -4.565   5.317   9.015
   73    H    ARG   9           H        ARG   9   2.181   2.082   3.712
   74    HA   ARG   9           HA       ARG   9   4.234   0.379   5.082
   75    HB2  ARG   9           HB2      ARG   9   3.251   0.248   2.197
   76    HB3  ARG   9           HB3      ARG   9   4.689  -0.589   2.798
   77    HG2  ARG   9           HG2      ARG   9   3.275  -1.894   4.378
   78    HG3  ARG   9           HG3      ARG   9   1.815  -1.112   3.724
   79    HD2  ARG   9           HD2      ARG   9   2.249  -1.958   1.519
   80    HD3  ARG   9           HD3      ARG   9   3.808  -2.649   2.029
   81    HE   ARG   9           HE       ARG   9   1.694  -3.697   3.689
   82   HH11  ARG   9          HH11      ARG   9   2.826  -4.046   0.359
   83   HH12  ARG   9          HH12      ARG   9   2.345  -5.733   0.325
   84   HH21  ARG   9          HH21      ARG   9   1.113  -5.577   3.614
   85   HH22  ARG   9          HH22      ARG   9   1.271  -6.639   2.190
   86    H    MET  10           H        MET  10   6.392   0.568   3.931
   87    HA   MET  10           HA       MET  10   6.863   3.354   2.990
   88    HB2  MET  10           HB2      MET  10   8.014   2.233   5.154
   89    HB3  MET  10           HB3      MET  10   9.117   1.643   3.901
   90    HG2  MET  10           HG2      MET  10   9.981   3.700   4.798
   91    HG3  MET  10           HG3      MET  10   9.461   3.989   3.141
   92    HE1  MET  10           HE1      MET  10   9.581   6.555   3.428
   93    HE2  MET  10           HE2      MET  10   8.817   7.462   4.754
   94    HE3  MET  10           HE3      MET  10  10.161   6.348   5.097
   95    H    SER  11           H        SER  11   8.352   3.677   1.338
   96    HA   SER  11           HA       SER  11   9.209   1.435  -0.392
   97    HB2  SER  11           HB2      SER  11   8.220   2.413  -2.388
   98    HB3  SER  11           HB3      SER  11   6.940   2.047  -1.220
   99    HG   SER  11           HG       SER  11   8.237   4.538  -1.393
  100    H    CFD  12           H        CFD  12  11.261   2.052   0.413
  101    HA   CFD  12           HA       CFD  12  12.735   3.790  -1.220
  102   H1G1  CFD  12          H1G       CFD  12  12.593   5.986  -1.342
  103    HD   CFD  12           HD       CFD  12  12.974   7.614   1.206
  104    H    ARG  13           H        ARG  13  10.233   6.266  -0.168
  105    HA   ARG  13           HA       ARG  13   8.452   8.488   0.759
  106    HB2  ARG  13           HB2      ARG  13   8.867   7.667  -1.891
  107    HB3  ARG  13           HB3      ARG  13   7.473   6.724  -1.418
  108    HG2  ARG  13           HG2      ARG  13   6.468   8.607  -2.286
  109    HG3  ARG  13           HG3      ARG  13   6.477   9.014  -0.575
  110    HD2  ARG  13           HD2      ARG  13   8.402   9.991  -2.732
  111    HD3  ARG  13           HD3      ARG  13   7.139  10.930  -1.931
  112    HE   ARG  13           HE       ARG  13   9.456   9.781  -0.401
  113   HH11  ARG  13          HH11      ARG  13   7.743  12.728  -1.294
  114   HH12  ARG  13          HH12      ARG  13   8.639  13.672  -0.134
  115   HH21  ARG  13          HH21      ARG  13  10.485  10.937   0.983
  116   HH22  ARG  13          HH22      ARG  13  10.218  12.671   1.157
  117    H    VAL  14           H        VAL  14   6.234   7.877   1.103
  118    HA   VAL  14           HA       VAL  14   5.904   5.291   2.529
  119    HB   VAL  14           HB       VAL  14   5.512   7.362   3.828
  120   HG11  VAL  14          HG11      VAL  14   3.148   7.869   1.971
  121   HG12  VAL  14          HG12      VAL  14   3.557   8.766   3.445
  122   HG13  VAL  14          HG13      VAL  14   4.631   8.846   2.046
  123   HG21  VAL  14          HG21      VAL  14   3.347   6.750   4.788
  124   HG22  VAL  14          HG22      VAL  14   2.994   5.709   3.397
  125   HG23  VAL  14          HG23      VAL  14   4.349   5.331   4.487
  126    H    TYR  15           H        TYR  15   4.092   3.942   1.956
  127    HA   TYR  15           HA       TYR  15   2.436   4.811  -0.299
  128    HB2  TYR  15           HB2      TYR  15   3.002   3.404  -1.847
  129    HB3  TYR  15           HB3      TYR  15   4.587   3.426  -1.094
  130    HD1  TYR  15           HD1      TYR  15   1.575   1.563  -1.879
  131    HD2  TYR  15           HD2      TYR  15   5.343   1.290   0.169
  132    HE1  TYR  15           HE1      TYR  15   1.311  -0.861  -1.740
  133    HE2  TYR  15           HE2      TYR  15   5.178  -1.202   0.117
  134    HH   TYR  15           HH       TYR  15   2.467  -2.804  -1.647
  135    H    TYR  16           H        TYR  16   0.676   3.261  -0.796
  136    HA   TYR  16           HA       TYR  16  -0.326   1.931   1.700
  137    HB2  TYR  16           HB2      TYR  16  -1.657   4.011  -0.036
  138    HB3  TYR  16           HB3      TYR  16  -2.607   2.772   0.744
  139    HD1  TYR  16           HD1      TYR  16   0.205   5.034   1.914
  140    HD2  TYR  16           HD2      TYR  16  -3.756   3.473   2.581
  141    HE1  TYR  16           HE1      TYR  16   0.041   6.346   4.010
  142    HE2  TYR  16           HE2      TYR  16  -3.985   4.921   4.591
  143    HH   TYR  16           HH       TYR  16  -3.019   6.630   5.885
  144    H    PHE  17           H        PHE  17  -1.113  -0.103   1.412
  145    HA   PHE  17           HA       PHE  17  -1.620  -0.991  -1.405
  146    HB2  PHE  17           HB2      PHE  17  -0.122  -2.515  -1.209
  147    HB3  PHE  17           HB3      PHE  17   0.300  -1.958   0.405
  148    HD1  PHE  17           HD1      PHE  17  -1.524  -2.869   2.217
  149    HD2  PHE  17           HD2      PHE  17  -0.300  -4.841  -1.374
  150    HE1  PHE  17           HE1      PHE  17  -2.026  -5.070   3.278
  151    HE2  PHE  17           HE2      PHE  17  -0.882  -7.037  -0.374
  152    HZ   PHE  17           HZ       PHE  17  -1.784  -7.156   1.940
  153    H    ASN  18           H        ASN  18  -3.304  -2.285  -1.874
  154    HA   ASN  18           HA       ASN  18  -5.551  -2.116   0.012
  155    HB2  ASN  18           HB2      ASN  18  -5.671  -1.897  -2.544
  156    HB3  ASN  18           HB3      ASN  18  -5.497  -3.644  -2.612
  157   HD21  ASN  18          HD21      ASN  18  -7.504  -1.045  -1.107
  158   HD22  ASN  18          HD22      ASN  18  -8.952  -2.003  -0.978
  159    H    HIS  19           H        HIS  19  -6.075  -3.644   1.514
  160    HA   HIS  19           HA       HIS  19  -4.182  -5.847   1.802
  161    HB2  HIS  19           HB2      HIS  19  -5.146  -4.237   3.607
  162    HB3  HIS  19           HB3      HIS  19  -6.502  -5.376   3.685
  163    HD1  HIS  19           HD1      HIS  19  -4.729  -8.036   3.415
  164    HD2  HIS  19           HD2      HIS  19  -3.695  -4.597   5.611
  165    HE1  HIS  19           HE1      HIS  19  -2.746  -8.710   4.987
  166    HE2  HIS  19           HE2      HIS  19  -2.041  -6.501   6.161
  167    H    ILE  20           H        ILE  20  -7.198  -5.570   0.316
  168    HA   ILE  20           HA       ILE  20  -7.725  -8.501   0.397
  169    HB   ILE  20           HB       ILE  20  -9.378  -6.272  -0.849
  170   HG12  ILE  20          HG12      ILE  20  -9.326  -5.759   1.496
  171   HG13  ILE  20          HG13      ILE  20 -10.895  -6.405   1.072
  172   HG21  ILE  20          HG21      ILE  20 -11.210  -7.960  -0.741
  173   HG22  ILE  20          HG22      ILE  20  -9.884  -8.441  -1.803
  174   HG23  ILE  20          HG23      ILE  20 -10.031  -9.175  -0.195
  175   HD11  ILE  20          HD11      ILE  20  -8.687  -7.947   2.515
  176   HD12  ILE  20          HD12      ILE  20 -10.150  -7.265   3.240
  177   HD13  ILE  20          HD13      ILE  20 -10.286  -8.600   2.083
  178    H    THR  21           H        THR  21  -7.200  -5.817  -1.918
  179    HA   THR  21           HA       THR  21  -7.026  -7.718  -4.148
  180    HB   THR  21           HB       THR  21  -6.761  -4.745  -4.485
  181    HG1  THR  21           HG1      THR  21  -8.436  -4.813  -3.078
  182   HG21  THR  21          HG21      THR  21  -6.780  -6.131  -6.529
  183   HG22  THR  21          HG22      THR  21  -8.296  -6.900  -6.005
  184   HG23  THR  21          HG23      THR  21  -8.263  -5.176  -6.423
  185    H    ASN  22           H        ASN  22  -4.718  -6.327  -2.131
  186    HA   ASN  22           HA       ASN  22  -2.610  -5.995  -2.061
  187    HB2  ASN  22           HB2      ASN  22  -1.345  -7.768  -2.540
  188    HB3  ASN  22           HB3      ASN  22  -2.840  -8.494  -3.108
  189   HD21  ASN  22          HD21      ASN  22  -3.236  -7.610  -5.641
  190   HD22  ASN  22          HD22      ASN  22  -1.793  -7.991  -6.605
  191    H    ALA  23           H        ALA  23  -3.988  -4.928  -4.921
  192    HA   ALA  23           HA       ALA  23  -1.978  -3.737  -6.333
  193    HB1  ALA  23           HB1      ALA  23  -3.630  -2.047  -6.992
  194    HB2  ALA  23           HB2      ALA  23  -4.378  -3.658  -6.907
  195    HB3  ALA  23           HB3      ALA  23  -4.636  -2.482  -5.596
  196    H    SER  24           H        SER  24  -0.311  -2.671  -5.725
  197    HA   SER  24           HA       SER  24  -0.224  -1.145  -3.210
  198    HB2  SER  24           HB2      SER  24   1.814  -2.445  -5.067
  199    HB3  SER  24           HB3      SER  24   2.314  -1.360  -3.770
  200    HG   SER  24           HG       SER  24   0.677  -3.686  -3.453
  201    H    GLN  25           H        GLN  25  -0.266   1.070  -3.199
  202    HA   GLN  25           HA       GLN  25   0.550   2.557  -5.628
  203    HB2  GLN  25           HB2      GLN  25  -1.727   3.503  -5.868
  204    HB3  GLN  25           HB3      GLN  25  -1.686   1.763  -6.095
  205    HG2  GLN  25           HG2      GLN  25  -2.378   1.718  -3.499
  206    HG3  GLN  25           HG3      GLN  25  -2.910   3.351  -3.856
  207   HE21  GLN  25          HE21      GLN  25  -3.512  -0.130  -4.403
  208   HE22  GLN  25          HE22      GLN  25  -5.030   0.156  -5.253
  209    H    PHE  26           H        PHE  26   0.264   4.924  -5.419
  210    HA   PHE  26           HA       PHE  26   0.913   5.879  -2.689
  211    HB2  PHE  26           HB2      PHE  26   1.043   7.204  -5.408
  212    HB3  PHE  26           HB3      PHE  26   1.484   7.985  -3.890
  213    HD1  PHE  26           HD1      PHE  26   3.196   6.649  -2.354
  214    HD2  PHE  26           HD2      PHE  26   2.808   6.119  -6.618
  215    HE1  PHE  26           HE1      PHE  26   5.447   5.624  -2.430
  216    HE2  PHE  26           HE2      PHE  26   5.075   5.110  -6.691
  217    HZ   PHE  26           HZ       PHE  26   6.395   4.853  -4.596
  218    H    GLU  27           H        GLU  27  -1.837   5.745  -4.763
  219    HA   GLU  27           HA       GLU  27  -3.295   7.937  -3.498
  220    HB2  GLU  27           HB2      GLU  27  -4.264   5.519  -5.079
  221    HB3  GLU  27           HB3      GLU  27  -5.297   6.817  -4.456
  222    HG2  GLU  27           HG2      GLU  27  -3.806   8.448  -5.766
  223    HG3  GLU  27           HG3      GLU  27  -3.152   7.025  -6.596
  224    H    ARG  28           H        ARG  28  -5.008   7.698  -1.923
  225    HA   ARG  28           HA       ARG  28  -4.664   5.336  -0.141
  226    HB2  ARG  28           HB2      ARG  28  -4.805   8.180   0.829
  227    HB3  ARG  28           HB3      ARG  28  -4.266   6.760   1.726
  228    HG2  ARG  28           HG2      ARG  28  -2.199   6.716   0.238
  229    HG3  ARG  28           HG3      ARG  28  -2.761   8.228  -0.491
  230    HD2  ARG  28           HD2      ARG  28  -1.809   7.757   2.318
  231    HD3  ARG  28           HD3      ARG  28  -1.178   8.885   1.121
  232    HE   ARG  28           HE       ARG  28  -3.389  10.124   1.366
  233   HH11  ARG  28          HH11      ARG  28  -2.166   8.306   4.195
  234   HH12  ARG  28          HH12      ARG  28  -3.570   8.831   5.122
  235   HH21  ARG  28          HH21      ARG  28  -5.150  10.620   2.847
  236   HH22  ARG  28          HH22      ARG  28  -5.002   9.929   4.473
  237    HA   PRO  29           HA       PRO  29  -9.111   6.069   0.615
  238    HB2  PRO  29           HB2      PRO  29  -9.526   4.419   2.725
  239    HB3  PRO  29           HB3      PRO  29  -9.068   3.756   1.130
  240    HG2  PRO  29           HG2      PRO  29  -7.209   4.408   3.458
  241    HG3  PRO  29           HG3      PRO  29  -7.372   2.846   2.593
  242    HD2  PRO  29           HD2      PRO  29  -5.479   4.672   1.896
  243    HD3  PRO  29           HD3      PRO  29  -6.336   3.717   0.641
  244    H    SER  30           H        SER  30 -10.351   6.442   2.992
  245    HA   SER  30           HA       SER  30  -9.336   8.907   4.077
  246    HB2  SER  30           HB2      SER  30 -11.364   8.838   5.414
  247    HB3  SER  30           HB3      SER  30 -11.737   8.362   3.741
  248    HG   SER  30           HG       SER  30 -11.152   6.599   5.868
  249    H    GLY  31           H        GLY  31  -7.197   7.916   4.662
  250    HA2  GLY  31           HA2      GLY  31  -6.969   7.717   7.536
  251    HA3  GLY  31           HA3      GLY  31  -6.639   6.158   6.756
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -10.238   5.353  -7.918
    2    H2   LYS   1           H2       LYS   1  -9.699   4.681  -9.326
    3    H3   LYS   1           H3       LYS   1  -9.348   6.261  -8.879
    4    HA   LYS   1           HA       LYS   1  -7.401   4.808  -8.519
    5    HB2  LYS   1           HB2      LYS   1  -8.819   5.895  -6.060
    6    HB3  LYS   1           HB3      LYS   1  -7.156   5.327  -6.029
    7    HG2  LYS   1           HG2      LYS   1  -6.317   7.076  -7.278
    8    HG3  LYS   1           HG3      LYS   1  -7.792   7.298  -8.188
    9    HD2  LYS   1           HD2      LYS   1  -8.766   8.117  -5.841
   10    HD3  LYS   1           HD3      LYS   1  -7.060   8.449  -5.502
   11    HE2  LYS   1           HE2      LYS   1  -8.578   9.365  -7.991
   12    HE3  LYS   1           HE3      LYS   1  -8.471  10.351  -6.533
   13    HZ1  LYS   1           HZ1      LYS   1  -6.732  10.807  -8.326
   14    HZ2  LYS   1           HZ2      LYS   1  -6.117  10.554  -6.804
   15    HZ3  LYS   1           HZ3      LYS   1  -5.975   9.399  -7.827
   16    H    LEU   2           H        LEU   2  -6.644   3.200  -6.545
   17    HA   LEU   2           HA       LEU   2  -7.928   0.769  -7.382
   18    HB2  LEU   2           HB2      LEU   2  -5.549   1.571  -5.754
   19    HB3  LEU   2           HB3      LEU   2  -6.102  -0.068  -5.590
   20    HG   LEU   2           HG       LEU   2  -5.761  -0.548  -7.911
   21   HD11  LEU   2          HD11      LEU   2  -4.816   1.080  -9.531
   22   HD12  LEU   2          HD12      LEU   2  -6.464   1.495  -9.063
   23   HD13  LEU   2          HD13      LEU   2  -5.087   2.389  -8.365
   24   HD21  LEU   2          HD21      LEU   2  -3.370  -0.277  -8.068
   25   HD22  LEU   2          HD22      LEU   2  -3.409   1.176  -7.055
   26   HD23  LEU   2          HD23      LEU   2  -3.768  -0.390  -6.341
   27    HA   PRO   3           HA       PRO   3 -10.924  -0.157  -4.552
   28    HB2  PRO   3           HB2      PRO   3 -10.798  -2.871  -4.045
   29    HB3  PRO   3           HB3      PRO   3 -11.214  -2.158  -5.635
   30    HG2  PRO   3           HG2      PRO   3  -8.487  -3.093  -4.669
   31    HG3  PRO   3           HG3      PRO   3  -9.332  -3.542  -6.190
   32    HD2  PRO   3           HD2      PRO   3  -7.496  -1.593  -6.185
   33    HD3  PRO   3           HD3      PRO   3  -9.010  -1.368  -7.105
   34    HA   PRO   4           HA       PRO   4  -9.904   0.083  -0.303
   35    HB2  PRO   4           HB2      PRO   4 -12.223  -0.526   0.986
   36    HB3  PRO   4           HB3      PRO   4 -12.060   0.887  -0.101
   37    HG2  PRO   4           HG2      PRO   4 -13.136  -1.873  -0.794
   38    HG3  PRO   4           HG3      PRO   4 -13.918  -0.281  -1.082
   39    HD2  PRO   4           HD2      PRO   4 -12.478  -1.524  -3.016
   40    HD3  PRO   4           HD3      PRO   4 -12.406   0.251  -2.816
   41    H    GLY   5           H        GLY   5  -9.787  -0.902   1.803
   42    HA2  GLY   5           HA2      GLY   5  -9.553  -2.931   3.188
   43    HA3  GLY   5           HA3      GLY   5  -9.157  -3.834   1.716
   44    H    TRP   6           H        TRP   6  -8.020  -0.695   3.098
   45    HA   TRP   6           HA       TRP   6  -5.408  -1.136   1.981
   46    HB2  TRP   6           HB2      TRP   6  -6.528   1.173   3.600
   47    HB3  TRP   6           HB3      TRP   6  -4.992   1.139   2.703
   48    HD1  TRP   6           HD1      TRP   6  -8.654   1.775   2.085
   49    HE1  TRP   6           HE1      TRP   6  -8.997   2.214  -0.434
   50    HE3  TRP   6           HE3      TRP   6  -4.028   0.535   0.446
   51    HZ2  TRP   6           HZ2      TRP   6  -7.390   2.178  -2.821
   52    HZ3  TRP   6           HZ3      TRP   6  -3.455   0.622  -2.004
   53    HH2  TRP   6           HH2      TRP   6  -5.138   1.443  -3.619
   54    H    GLU   7           H        GLU   7  -3.427  -0.758   2.900
   55    HA   GLU   7           HA       GLU   7  -2.954  -0.478   5.762
   56    HB2  GLU   7           HB2      GLU   7  -2.723  -2.949   4.293
   57    HB3  GLU   7           HB3      GLU   7  -1.093  -2.396   4.630
   58    HG2  GLU   7           HG2      GLU   7  -3.185  -2.520   6.841
   59    HG3  GLU   7           HG3      GLU   7  -2.200  -3.915   6.382
   60    H    LYS   8           H        LYS   8  -0.706   0.198   6.089
   61    HA   LYS   8           HA       LYS   8   0.273   1.817   3.759
   62    HB2  LYS   8           HB2      LYS   8   1.165   3.432   5.419
   63    HB3  LYS   8           HB3      LYS   8  -0.575   3.278   5.322
   64    HG2  LYS   8           HG2      LYS   8  -0.234   3.478   7.582
   65    HG3  LYS   8           HG3      LYS   8  -0.477   1.764   7.391
   66    HD2  LYS   8           HD2      LYS   8   2.352   2.137   7.169
   67    HD3  LYS   8           HD3      LYS   8   1.836   3.287   8.382
   68    HE2  LYS   8           HE2      LYS   8   2.451   1.267   9.498
   69    HE3  LYS   8           HE3      LYS   8   0.694   1.435   9.638
   70    HZ1  LYS   8           HZ1      LYS   8   0.372  -0.281   8.054
   71    HZ2  LYS   8           HZ2      LYS   8   1.884  -0.147   7.452
   72    HZ3  LYS   8           HZ3      LYS   8   1.619  -0.838   8.948
   73    H    ARG   9           H        ARG   9   2.303   1.820   3.056
   74    HA   ARG   9           HA       ARG   9   4.275  -0.060   4.302
   75    HB2  ARG   9           HB2      ARG   9   3.198  -0.032   1.455
   76    HB3  ARG   9           HB3      ARG   9   4.639  -0.931   1.938
   77    HG2  ARG   9           HG2      ARG   9   1.862  -1.430   3.098
   78    HG3  ARG   9           HG3      ARG   9   2.539  -2.304   1.726
   79    HD2  ARG   9           HD2      ARG   9   4.311  -3.244   3.031
   80    HD3  ARG   9           HD3      ARG   9   3.960  -2.214   4.415
   81    HE   ARG   9           HE       ARG   9   2.505  -4.638   3.587
   82   HH11  ARG   9          HH11      ARG   9   2.237  -1.719   5.633
   83   HH12  ARG   9          HH12      ARG   9   1.186  -2.622   6.742
   84   HH21  ARG   9          HH21      ARG   9   1.065  -5.537   5.239
   85   HH22  ARG   9          HH22      ARG   9   0.553  -4.410   6.516
   86    H    MET  10           H        MET  10   6.431   0.070   3.336
   87    HA   MET  10           HA       MET  10   7.176   2.879   3.058
   88    HB2  MET  10           HB2      MET  10   9.356   2.180   3.639
   89    HB3  MET  10           HB3      MET  10   8.205   1.313   4.671
   90    HG2  MET  10           HG2      MET  10   8.418  -0.676   3.158
   91    HG3  MET  10           HG3      MET  10   9.695   0.166   2.279
   92    HE1  MET  10           HE1      MET  10  12.633   0.293   4.825
   93    HE2  MET  10           HE2      MET  10  12.110   0.567   3.149
   94    HE3  MET  10           HE3      MET  10  11.478   1.592   4.463
   95    H    SER  11           H        SER  11   8.186   3.858   1.408
   96    HA   SER  11           HA       SER  11   8.849   2.371  -1.088
   97    HB2  SER  11           HB2      SER  11   6.741   3.426  -1.538
   98    HB3  SER  11           HB3      SER  11   7.256   4.936  -0.764
   99    HG   SER  11           HG       SER  11   8.968   4.944  -2.365
  100    H    CFD  12           H        CFD  12  10.702   2.727   0.842
  101    HA   CFD  12           HA       CFD  12  12.726   4.307  -0.408
  102   H1G1  CFD  12          H1G       CFD  12  12.708   6.512  -0.432
  103    HD   CFD  12           HD       CFD  12  12.612   8.040   2.186
  104    H    ARG  13           H        ARG  13  10.162   6.677   0.459
  105    HA   ARG  13           HA       ARG  13   8.145   8.712   1.329
  106    HB2  ARG  13           HB2      ARG  13   8.456   7.238  -1.307
  107    HB3  ARG  13           HB3      ARG  13   6.856   7.718  -0.749
  108    HG2  ARG  13           HG2      ARG  13   7.374   9.511  -2.058
  109    HG3  ARG  13           HG3      ARG  13   7.832  10.099  -0.463
  110    HD2  ARG  13           HD2      ARG  13  10.253   9.393  -1.083
  111    HD3  ARG  13           HD3      ARG  13   9.640   9.087  -2.696
  112    HE   ARG  13           HE       ARG  13   9.458  11.364  -3.076
  113   HH11  ARG  13          HH11      ARG  13  10.221  10.974   0.403
  114   HH12  ARG  13          HH12      ARG  13  10.479  12.679   0.579
  115   HH21  ARG  13          HH21      ARG  13   9.831  13.522  -2.700
  116   HH22  ARG  13          HH22      ARG  13  10.277  14.070  -1.113
  117    H    VAL  14           H        VAL  14   5.968   7.840   1.515
  118    HA   VAL  14           HA       VAL  14   5.789   5.000   2.410
  119    HB   VAL  14           HB       VAL  14   3.953   7.299   3.184
  120   HG11  VAL  14          HG11      VAL  14   3.264   5.799   5.018
  121   HG12  VAL  14          HG12      VAL  14   2.952   5.050   3.453
  122   HG13  VAL  14          HG13      VAL  14   4.359   4.538   4.418
  123   HG21  VAL  14          HG21      VAL  14   5.093   7.291   5.397
  124   HG22  VAL  14          HG22      VAL  14   6.329   6.193   4.736
  125   HG23  VAL  14          HG23      VAL  14   6.142   7.841   4.087
  126    H    TYR  15           H        TYR  15   3.971   3.810   1.603
  127    HA   TYR  15           HA       TYR  15   2.205   5.154  -0.343
  128    HB2  TYR  15           HB2      TYR  15   2.598   3.786  -2.119
  129    HB3  TYR  15           HB3      TYR  15   4.214   4.024  -1.515
  130    HD1  TYR  15           HD1      TYR  15   5.370   2.106  -0.266
  131    HD2  TYR  15           HD2      TYR  15   1.542   1.645  -2.189
  132    HE1  TYR  15           HE1      TYR  15   5.700  -0.362  -0.343
  133    HE2  TYR  15           HE2      TYR  15   1.813  -0.814  -2.131
  134    HH   TYR  15           HH       TYR  15   3.197  -2.553  -1.664
  135    H    TYR  16           H        TYR  16   0.412   3.589  -1.059
  136    HA   TYR  16           HA       TYR  16  -0.666   2.255   1.371
  137    HB2  TYR  16           HB2      TYR  16  -1.612   4.513  -0.031
  138    HB3  TYR  16           HB3      TYR  16  -2.567   3.190  -0.660
  139    HD1  TYR  16           HD1      TYR  16  -1.341   3.575   2.901
  140    HD2  TYR  16           HD2      TYR  16  -4.659   3.834   0.160
  141    HE1  TYR  16           HE1      TYR  16  -2.905   3.819   4.818
  142    HE2  TYR  16           HE2      TYR  16  -6.216   4.136   2.075
  143    HH   TYR  16           HH       TYR  16  -6.417   4.242   4.363
  144    H    PHE  17           H        PHE  17  -1.242   0.219   1.236
  145    HA   PHE  17           HA       PHE  17  -1.535  -1.068  -1.436
  146    HB2  PHE  17           HB2      PHE  17   0.313  -2.153  -1.117
  147    HB3  PHE  17           HB3      PHE  17   0.570  -1.402   0.459
  148    HD1  PHE  17           HD1      PHE  17  -0.523  -2.527   2.491
  149    HD2  PHE  17           HD2      PHE  17  -0.082  -4.476  -1.319
  150    HE1  PHE  17           HE1      PHE  17  -0.814  -4.742   3.596
  151    HE2  PHE  17           HE2      PHE  17  -0.339  -6.688  -0.216
  152    HZ   PHE  17           HZ       PHE  17  -0.700  -6.827   2.236
  153    H    ASN  18           H        ASN  18  -2.944  -2.681  -1.632
  154    HA   ASN  18           HA       ASN  18  -5.052  -2.758   0.404
  155    HB2  ASN  18           HB2      ASN  18  -5.508  -2.425  -1.995
  156    HB3  ASN  18           HB3      ASN  18  -4.909  -4.055  -2.332
  157   HD21  ASN  18          HD21      ASN  18  -7.778  -2.409  -2.012
  158   HD22  ASN  18          HD22      ASN  18  -8.724  -3.689  -1.280
  159    H    HIS  19           H        HIS  19  -5.132  -4.194   2.007
  160    HA   HIS  19           HA       HIS  19  -3.263  -6.449   2.074
  161    HB2  HIS  19           HB2      HIS  19  -3.816  -6.671   4.374
  162    HB3  HIS  19           HB3      HIS  19  -3.584  -4.972   4.031
  163    HD1  HIS  19           HD1      HIS  19  -5.543  -3.416   4.989
  164    HD2  HIS  19           HD2      HIS  19  -6.520  -7.511   4.496
  165    HE1  HIS  19           HE1      HIS  19  -7.853  -3.737   6.010
  166    HE2  HIS  19           HE2      HIS  19  -8.468  -6.228   5.689
  167    H    ILE  20           H        ILE  20  -6.221  -6.210   0.652
  168    HA   ILE  20           HA       ILE  20  -6.960  -9.056   1.181
  169    HB   ILE  20           HB       ILE  20  -8.605  -6.878  -0.171
  170   HG12  ILE  20          HG12      ILE  20  -8.709  -7.814   2.728
  171   HG13  ILE  20          HG13      ILE  20  -8.191  -6.222   2.158
  172   HG21  ILE  20          HG21      ILE  20  -9.391  -9.612   0.919
  173   HG22  ILE  20          HG22      ILE  20 -10.469  -8.445   0.117
  174   HG23  ILE  20          HG23      ILE  20  -9.179  -9.203  -0.797
  175   HD11  ILE  20          HD11      ILE  20 -11.008  -7.338   2.038
  176   HD12  ILE  20          HD12      ILE  20 -10.402  -5.979   2.994
  177   HD13  ILE  20          HD13      ILE  20 -10.490  -5.838   1.227
  178    H    THR  21           H        THR  21  -6.424  -6.682  -1.436
  179    HA   THR  21           HA       THR  21  -5.987  -8.948  -3.339
  180    HB   THR  21           HB       THR  21  -8.174  -7.843  -3.595
  181    HG1  THR  21           HG1      THR  21  -6.203  -7.661  -5.592
  182   HG21  THR  21          HG21      THR  21  -7.921  -5.576  -3.128
  183   HG22  THR  21          HG22      THR  21  -6.560  -5.368  -4.261
  184   HG23  THR  21          HG23      THR  21  -8.205  -5.665  -4.861
  185    H    ASN  22           H        ASN  22  -4.023  -6.918  -1.883
  186    HA   ASN  22           HA       ASN  22  -2.048  -6.085  -2.179
  187    HB2  ASN  22           HB2      ASN  22  -0.561  -7.475  -3.016
  188    HB3  ASN  22           HB3      ASN  22  -1.937  -8.521  -3.332
  189   HD21  ASN  22          HD21      ASN  22  -3.024  -7.624  -5.693
  190   HD22  ASN  22          HD22      ASN  22  -1.752  -7.681  -6.931
  191    H    ALA  23           H        ALA  23  -4.195  -5.229  -4.591
  192    HA   ALA  23           HA       ALA  23  -3.003  -3.497  -6.297
  193    HB1  ALA  23           HB1      ALA  23  -5.080  -2.212  -6.186
  194    HB2  ALA  23           HB2      ALA  23  -5.446  -3.926  -6.027
  195    HB3  ALA  23           HB3      ALA  23  -5.456  -2.880  -4.587
  196    H    SER  24           H        SER  24  -1.609  -1.835  -6.175
  197    HA   SER  24           HA       SER  24  -1.109  -0.507  -3.542
  198    HB2  SER  24           HB2      SER  24   0.798  -1.746  -5.558
  199    HB3  SER  24           HB3      SER  24   1.310  -0.693  -4.236
  200    HG   SER  24           HG       SER  24  -0.110  -3.193  -3.951
  201    H    GLN  25           H        GLN  25  -0.786   1.652  -3.528
  202    HA   GLN  25           HA       GLN  25   0.076   3.150  -5.885
  203    HB2  GLN  25           HB2      GLN  25  -1.913   4.645  -5.918
  204    HB3  GLN  25           HB3      GLN  25  -2.296   3.005  -6.414
  205    HG2  GLN  25           HG2      GLN  25  -3.219   2.530  -4.155
  206    HG3  GLN  25           HG3      GLN  25  -2.788   4.145  -3.634
  207   HE21  GLN  25          HE21      GLN  25  -4.876   4.760  -3.100
  208   HE22  GLN  25          HE22      GLN  25  -6.185   4.873  -4.295
  209    H    PHE  26           H        PHE  26   0.305   5.566  -5.300
  210    HA   PHE  26           HA       PHE  26   1.207   5.891  -2.518
  211    HB2  PHE  26           HB2      PHE  26   1.135   7.693  -4.949
  212    HB3  PHE  26           HB3      PHE  26   1.666   8.249  -3.366
  213    HD1  PHE  26           HD1      PHE  26   3.607   7.165  -2.200
  214    HD2  PHE  26           HD2      PHE  26   2.668   6.355  -6.329
  215    HE1  PHE  26           HE1      PHE  26   5.873   6.213  -2.532
  216    HE2  PHE  26           HE2      PHE  26   4.936   5.402  -6.654
  217    HZ   PHE  26           HZ       PHE  26   6.540   5.323  -4.752
  218    H    GLU  27           H        GLU  27  -1.766   6.296  -4.113
  219    HA   GLU  27           HA       GLU  27  -2.697   8.532  -2.456
  220    HB2  GLU  27           HB2      GLU  27  -3.825   7.009  -4.836
  221    HB3  GLU  27           HB3      GLU  27  -4.740   8.224  -3.966
  222    HG2  GLU  27           HG2      GLU  27  -2.749   9.821  -4.397
  223    HG3  GLU  27           HG3      GLU  27  -2.208   8.619  -5.585
  224    H    ARG  28           H        ARG  28  -4.691   8.621  -1.395
  225    HA   ARG  28           HA       ARG  28  -5.725   6.077  -0.301
  226    HB2  ARG  28           HB2      ARG  28  -6.545   7.206   1.539
  227    HB3  ARG  28           HB3      ARG  28  -4.953   7.858   1.268
  228    HG2  ARG  28           HG2      ARG  28  -7.611   9.242   0.719
  229    HG3  ARG  28           HG3      ARG  28  -6.511   9.530   2.054
  230    HD2  ARG  28           HD2      ARG  28  -6.161  11.348   0.622
  231    HD3  ARG  28           HD3      ARG  28  -4.767  10.286   0.329
  232    HE   ARG  28           HE       ARG  28  -6.947   9.626  -1.410
  233   HH11  ARG  28          HH11      ARG  28  -4.464  12.156  -1.361
  234   HH12  ARG  28          HH12      ARG  28  -4.385  12.112  -3.113
  235   HH21  ARG  28          HH21      ARG  28  -6.678   9.546  -3.384
  236   HH22  ARG  28          HH22      ARG  28  -5.606  10.627  -4.284
  237    HA   PRO  29           HA       PRO  29  -9.111   5.984  -3.032
  238    HB2  PRO  29           HB2      PRO  29 -11.291   5.204  -1.513
  239    HB3  PRO  29           HB3      PRO  29  -9.951   4.125  -2.006
  240    HG2  PRO  29           HG2      PRO  29 -10.229   5.661   0.606
  241    HG3  PRO  29           HG3      PRO  29  -9.891   3.917   0.390
  242    HD2  PRO  29           HD2      PRO  29  -7.858   5.598   0.807
  243    HD3  PRO  29           HD3      PRO  29  -7.691   4.397  -0.515
  244    H    SER  30           H        SER  30  -9.596   7.867  -3.883
  245    HA   SER  30           HA       SER  30 -11.612   9.715  -2.768
  246    HB2  SER  30           HB2      SER  30  -9.524  10.394  -1.711
  247    HB3  SER  30           HB3      SER  30  -8.679  10.240  -3.264
  248    HG   SER  30           HG       SER  30 -10.124  11.884  -4.038
  249    H    GLY  31           H        GLY  31 -11.966   8.075  -4.947
  250    HA2  GLY  31           HA2      GLY  31 -12.921   8.637  -7.145
  251    HA3  GLY  31           HA3      GLY  31 -11.547   9.729  -7.415
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -14.170   8.188   3.487
    2    H2   LYS   1           H2       LYS   1 -15.065   9.438   4.024
    3    H3   LYS   1           H3       LYS   1 -14.419   8.383   5.128
    4    HA   LYS   1           HA       LYS   1 -12.983  10.143   3.279
    5    HB2  LYS   1           HB2      LYS   1 -13.178  10.437   6.290
    6    HB3  LYS   1           HB3      LYS   1 -12.082  11.333   5.244
    7    HG2  LYS   1           HG2      LYS   1 -15.065  11.575   5.478
    8    HG3  LYS   1           HG3      LYS   1 -13.832  12.823   5.539
    9    HD2  LYS   1           HD2      LYS   1 -14.998  11.428   3.120
   10    HD3  LYS   1           HD3      LYS   1 -15.092  13.129   3.520
   11    HE2  LYS   1           HE2      LYS   1 -12.948  13.606   2.725
   12    HE3  LYS   1           HE3      LYS   1 -12.347  11.984   3.075
   13    HZ1  LYS   1           HZ1      LYS   1 -13.846  11.171   1.276
   14    HZ2  LYS   1           HZ2      LYS   1 -14.034  12.740   0.773
   15    HZ3  LYS   1           HZ3      LYS   1 -12.551  11.962   0.777
   16    H    LEU   2           H        LEU   2 -12.612   7.294   5.291
   17    HA   LEU   2           HA       LEU   2 -10.123   6.819   3.868
   18    HB2  LEU   2           HB2      LEU   2  -9.531   7.927   6.074
   19    HB3  LEU   2           HB3      LEU   2 -10.219   6.538   6.903
   20    HG   LEU   2           HG       LEU   2  -7.913   6.426   4.899
   21   HD11  LEU   2          HD11      LEU   2  -7.850   6.347   7.941
   22   HD12  LEU   2          HD12      LEU   2  -6.455   6.163   6.856
   23   HD13  LEU   2          HD13      LEU   2  -7.318   7.708   6.926
   24   HD21  LEU   2          HD21      LEU   2  -9.054   4.316   6.777
   25   HD22  LEU   2          HD22      LEU   2  -8.895   4.232   5.006
   26   HD23  LEU   2          HD23      LEU   2  -7.460   4.193   6.010
   27    HA   PRO   3           HA       PRO   3 -13.010   3.364   3.952
   28    HB2  PRO   3           HB2      PRO   3 -12.238   1.976   1.741
   29    HB3  PRO   3           HB3      PRO   3 -13.063   3.566   1.651
   30    HG2  PRO   3           HG2      PRO   3 -10.084   3.003   1.520
   31    HG3  PRO   3           HG3      PRO   3 -11.069   4.007   0.405
   32    HD2  PRO   3           HD2      PRO   3  -9.637   5.086   2.479
   33    HD3  PRO   3           HD3      PRO   3 -11.215   5.763   1.970
   34    HA   PRO   4           HA       PRO   4 -10.687   0.162   6.048
   35    HB2  PRO   4           HB2      PRO   4 -12.467  -1.907   6.084
   36    HB3  PRO   4           HB3      PRO   4 -12.731  -0.398   7.010
   37    HG2  PRO   4           HG2      PRO   4 -13.828  -1.104   4.263
   38    HG3  PRO   4           HG3      PRO   4 -14.738  -0.513   5.694
   39    HD2  PRO   4           HD2      PRO   4 -13.897   1.175   3.732
   40    HD3  PRO   4           HD3      PRO   4 -13.876   1.675   5.452
   41    H    GLY   5           H        GLY   5  -9.889  -2.109   5.742
   42    HA2  GLY   5           HA2      GLY   5  -9.159  -3.915   4.485
   43    HA3  GLY   5           HA3      GLY   5 -10.001  -3.285   3.069
   44    H    TRP   6           H        TRP   6  -7.795  -1.054   4.600
   45    HA   TRP   6           HA       TRP   6  -5.665  -1.677   2.600
   46    HB2  TRP   6           HB2      TRP   6  -6.720   1.016   3.487
   47    HB3  TRP   6           HB3      TRP   6  -5.218   0.763   2.604
   48    HD1  TRP   6           HD1      TRP   6  -9.000   0.270   2.039
   49    HE1  TRP   6           HE1      TRP   6  -9.489   0.620  -0.446
   50    HE3  TRP   6           HE3      TRP   6  -4.217   0.830   0.371
   51    HZ2  TRP   6           HZ2      TRP   6  -7.976   1.439  -2.816
   52    HZ3  TRP   6           HZ3      TRP   6  -3.749   1.314  -2.021
   53    HH2  TRP   6           HH2      TRP   6  -5.632   1.616  -3.619
   54    H    GLU   7           H        GLU   7  -3.539  -0.952   3.120
   55    HA   GLU   7           HA       GLU   7  -2.847  -0.552   5.975
   56    HB2  GLU   7           HB2      GLU   7  -2.894  -3.039   4.706
   57    HB3  GLU   7           HB3      GLU   7  -1.227  -2.541   4.485
   58    HG2  GLU   7           HG2      GLU   7  -2.586  -2.540   7.208
   59    HG3  GLU   7           HG3      GLU   7  -1.747  -3.944   6.541
   60    H    LYS   8           H        LYS   8  -0.558   0.096   6.237
   61    HA   LYS   8           HA       LYS   8   0.343   1.788   3.940
   62    HB2  LYS   8           HB2      LYS   8   1.486   3.210   5.583
   63    HB3  LYS   8           HB3      LYS   8  -0.245   3.120   5.802
   64    HG2  LYS   8           HG2      LYS   8   0.492   3.061   7.962
   65    HG3  LYS   8           HG3      LYS   8   0.183   1.376   7.643
   66    HD2  LYS   8           HD2      LYS   8   2.925   1.713   6.948
   67    HD3  LYS   8           HD3      LYS   8   2.693   2.801   8.295
   68    HE2  LYS   8           HE2      LYS   8   3.464   0.688   9.131
   69    HE3  LYS   8           HE3      LYS   8   1.793   0.918   9.670
   70    HZ1  LYS   8           HZ1      LYS   8   2.374  -1.361   8.699
   71    HZ2  LYS   8           HZ2      LYS   8   1.041  -0.659   8.057
   72    HZ3  LYS   8           HZ3      LYS   8   2.398  -0.621   7.210
   73    H    ARG   9           H        ARG   9   2.411   1.848   3.200
   74    HA   ARG   9           HA       ARG   9   4.398  -0.112   4.231
   75    HB2  ARG   9           HB2      ARG   9   3.307   0.005   1.390
   76    HB3  ARG   9           HB3      ARG   9   4.651  -1.020   1.910
   77    HG2  ARG   9           HG2      ARG   9   1.754  -1.277   2.814
   78    HG3  ARG   9           HG3      ARG   9   2.555  -2.284   1.621
   79    HD2  ARG   9           HD2      ARG   9   3.893  -3.388   3.203
   80    HD3  ARG   9           HD3      ARG   9   3.780  -2.087   4.379
   81    HE   ARG   9           HE       ARG   9   1.814  -2.913   5.238
   82   HH11  ARG   9          HH11      ARG   9   2.225  -4.508   2.124
   83   HH12  ARG   9          HH12      ARG   9   0.890  -5.583   2.426
   84   HH21  ARG   9          HH21      ARG   9   0.424  -4.299   5.653
   85   HH22  ARG   9          HH22      ARG   9  -0.030  -5.631   4.552
   86    H    MET  10           H        MET  10   6.484   0.051   2.981
   87    HA   MET  10           HA       MET  10   7.082   2.923   2.417
   88    HB2  MET  10           HB2      MET  10   8.541   0.867   4.103
   89    HB3  MET  10           HB3      MET  10   9.325   2.320   3.478
   90    HG2  MET  10           HG2      MET  10   8.668   2.890   5.649
   91    HG3  MET  10           HG3      MET  10   7.527   3.702   4.583
   92    HE1  MET  10           HE1      MET  10   5.328   3.111   7.719
   93    HE2  MET  10           HE2      MET  10   7.031   3.610   7.620
   94    HE3  MET  10           HE3      MET  10   5.845   4.263   6.465
   95    H    SER  11           H        SER  11   8.221   3.407   0.722
   96    HA   SER  11           HA       SER  11   9.411   1.296  -1.024
   97    HB2  SER  11           HB2      SER  11   7.475   2.276  -2.085
   98    HB3  SER  11           HB3      SER  11   8.013   3.917  -1.669
   99    HG   SER  11           HG       SER  11   9.920   3.414  -2.913
  100    H    CFD  12           H        CFD  12  10.878   2.174   1.097
  101    HA   CFD  12           HA       CFD  12  13.051   3.741  -0.110
  102   H1G1  CFD  12          H1G       CFD  12  13.170   5.937   0.091
  103    HD   CFD  12           HD       CFD  12  12.591   7.294   2.704
  104    H    ARG  13           H        ARG  13  10.429   6.128   0.403
  105    HA   ARG  13           HA       ARG  13   8.431   8.296   0.879
  106    HB2  ARG  13           HB2      ARG  13   9.541   7.574  -1.507
  107    HB3  ARG  13           HB3      ARG  13   8.149   6.504  -1.510
  108    HG2  ARG  13           HG2      ARG  13   8.065   9.532  -1.106
  109    HG3  ARG  13           HG3      ARG  13   7.825   8.714  -2.654
  110    HD2  ARG  13           HD2      ARG  13   5.822   7.577  -1.756
  111    HD3  ARG  13           HD3      ARG  13   6.043   8.425  -0.210
  112    HE   ARG  13           HE       ARG  13   5.979  10.346  -2.270
  113   HH11  ARG  13          HH11      ARG  13   3.649   8.137  -0.691
  114   HH12  ARG  13          HH12      ARG  13   2.323   9.277  -1.006
  115   HH21  ARG  13          HH21      ARG  13   4.252  11.682  -2.558
  116   HH22  ARG  13          HH22      ARG  13   2.657  11.208  -2.052
  117    H    VAL  14           H        VAL  14   6.478   7.803   1.690
  118    HA   VAL  14           HA       VAL  14   5.806   5.033   2.407
  119    HB   VAL  14           HB       VAL  14   5.458   6.903   3.984
  120   HG11  VAL  14          HG11      VAL  14   3.141   7.745   2.187
  121   HG12  VAL  14          HG12      VAL  14   3.565   8.413   3.772
  122   HG13  VAL  14          HG13      VAL  14   4.653   8.653   2.400
  123   HG21  VAL  14          HG21      VAL  14   4.225   4.789   4.234
  124   HG22  VAL  14          HG22      VAL  14   3.292   6.176   4.811
  125   HG23  VAL  14          HG23      VAL  14   2.893   5.438   3.250
  126    H    TYR  15           H        TYR  15   4.134   3.832   1.609
  127    HA   TYR  15           HA       TYR  15   2.387   4.963  -0.456
  128    HB2  TYR  15           HB2      TYR  15   2.688   3.329  -2.063
  129    HB3  TYR  15           HB3      TYR  15   4.305   3.793  -1.621
  130    HD1  TYR  15           HD1      TYR  15   1.791   1.106  -1.656
  131    HD2  TYR  15           HD2      TYR  15   5.783   2.197  -0.459
  132    HE1  TYR  15           HE1      TYR  15   2.413  -1.307  -1.530
  133    HE2  TYR  15           HE2      TYR  15   6.421  -0.211  -0.392
  134    HH   TYR  15           HH       TYR  15   5.720  -2.367  -0.714
  135    H    TYR  16           H        TYR  16   0.532   3.437  -0.939
  136    HA   TYR  16           HA       TYR  16  -0.383   2.142   1.589
  137    HB2  TYR  16           HB2      TYR  16  -1.246   4.570   0.691
  138    HB3  TYR  16           HB3      TYR  16  -2.348   3.524  -0.177
  139    HD1  TYR  16           HD1      TYR  16  -0.872   3.871   3.287
  140    HD2  TYR  16           HD2      TYR  16  -4.394   3.173   0.918
  141    HE1  TYR  16           HE1      TYR  16  -2.257   3.835   5.361
  142    HE2  TYR  16           HE2      TYR  16  -5.798   3.234   2.977
  143    HH   TYR  16           HH       TYR  16  -4.361   3.592   6.224
  144    H    PHE  17           H        PHE  17  -1.504   0.278   1.422
  145    HA   PHE  17           HA       PHE  17  -1.823  -0.919  -1.289
  146    HB2  PHE  17           HB2      PHE  17  -0.011  -2.045  -0.893
  147    HB3  PHE  17           HB3      PHE  17   0.107  -1.523   0.781
  148    HD1  PHE  17           HD1      PHE  17  -1.660  -2.772   2.398
  149    HD2  PHE  17           HD2      PHE  17  -0.017  -4.364  -1.240
  150    HE1  PHE  17           HE1      PHE  17  -2.141  -5.070   3.205
  151    HE2  PHE  17           HE2      PHE  17  -0.433  -6.660  -0.417
  152    HZ   PHE  17           HZ       PHE  17  -1.547  -7.031   1.775
  153    H    ASN  18           H        ASN  18  -3.293  -2.447  -1.582
  154    HA   ASN  18           HA       ASN  18  -5.591  -2.402   0.270
  155    HB2  ASN  18           HB2      ASN  18  -5.821  -2.052  -2.166
  156    HB3  ASN  18           HB3      ASN  18  -5.248  -3.688  -2.461
  157   HD21  ASN  18          HD21      ASN  18  -7.967  -2.128  -2.757
  158   HD22  ASN  18          HD22      ASN  18  -9.104  -3.292  -2.086
  159    H    HIS  19           H        HIS  19  -5.981  -3.909   1.762
  160    HA   HIS  19           HA       HIS  19  -4.051  -6.027   2.176
  161    HB2  HIS  19           HB2      HIS  19  -5.203  -4.467   3.880
  162    HB3  HIS  19           HB3      HIS  19  -6.608  -5.519   3.742
  163    HD1  HIS  19           HD1      HIS  19  -4.976  -8.297   3.779
  164    HD2  HIS  19           HD2      HIS  19  -4.511  -4.987   6.347
  165    HE1  HIS  19           HE1      HIS  19  -3.956  -9.222   5.997
  166    HE2  HIS  19           HE2      HIS  19  -3.684  -7.173   7.548
  167    H    ILE  20           H        ILE  20  -6.908  -5.964   0.324
  168    HA   ILE  20           HA       ILE  20  -7.108  -8.947   0.386
  169    HB   ILE  20           HB       ILE  20  -9.124  -6.967  -0.740
  170   HG12  ILE  20          HG12      ILE  20  -9.119  -8.325   1.988
  171   HG13  ILE  20          HG13      ILE  20  -8.933  -6.594   1.669
  172   HG21  ILE  20          HG21      ILE  20 -10.611  -8.916  -0.817
  173   HG22  ILE  20          HG22      ILE  20  -9.136  -9.288  -1.698
  174   HG23  ILE  20          HG23      ILE  20  -9.365  -9.934  -0.061
  175   HD11  ILE  20          HD11      ILE  20 -11.175  -6.961   2.402
  176   HD12  ILE  20          HD12      ILE  20 -11.227  -6.547   0.677
  177   HD13  ILE  20          HD13      ILE  20 -11.445  -8.235   1.204
  178    H    THR  21           H        THR  21  -7.355  -6.204  -1.957
  179    HA   THR  21           HA       THR  21  -6.867  -8.055  -4.165
  180    HB   THR  21           HB       THR  21  -7.252  -6.233  -5.646
  181    HG1  THR  21           HG1      THR  21  -7.645  -4.260  -3.853
  182   HG21  THR  21          HG21      THR  21  -9.289  -7.081  -4.502
  183   HG22  THR  21          HG22      THR  21  -9.129  -5.806  -3.277
  184   HG23  THR  21          HG23      THR  21  -9.421  -5.381  -4.980
  185    H    ASN  22           H        ASN  22  -4.705  -6.453  -2.130
  186    HA   ASN  22           HA       ASN  22  -2.572  -5.896  -2.135
  187    HB2  ASN  22           HB2      ASN  22  -2.554  -8.052  -4.242
  188    HB3  ASN  22           HB3      ASN  22  -1.073  -7.300  -3.641
  189   HD21  ASN  22          HD21      ASN  22  -4.088  -8.972  -2.277
  190   HD22  ASN  22          HD22      ASN  22  -3.105  -9.752  -1.055
  191    H    ALA  23           H        ALA  23  -4.441  -4.762  -4.585
  192    HA   ALA  23           HA       ALA  23  -2.777  -3.304  -6.274
  193    HB1  ALA  23           HB1      ALA  23  -5.248  -3.337  -6.394
  194    HB2  ALA  23           HB2      ALA  23  -5.341  -2.402  -4.884
  195    HB3  ALA  23           HB3      ALA  23  -4.633  -1.672  -6.339
  196    H    SER  24           H        SER  24  -1.358  -1.673  -6.018
  197    HA   SER  24           HA       SER  24  -0.981  -0.476  -3.306
  198    HB2  SER  24           HB2      SER  24   1.082  -1.820  -5.092
  199    HB3  SER  24           HB3      SER  24   1.438  -0.922  -3.610
  200    HG   SER  24           HG       SER  24  -0.186  -3.299  -3.786
  201    H    GLN  25           H        GLN  25  -0.533   1.650  -3.292
  202    HA   GLN  25           HA       GLN  25   0.386   3.067  -5.721
  203    HB2  GLN  25           HB2      GLN  25  -1.607   4.613  -5.555
  204    HB3  GLN  25           HB3      GLN  25  -1.929   3.008  -6.204
  205    HG2  GLN  25           HG2      GLN  25  -2.886   2.280  -4.047
  206    HG3  GLN  25           HG3      GLN  25  -2.530   3.853  -3.334
  207   HE21  GLN  25          HE21      GLN  25  -3.954   5.619  -3.820
  208   HE22  GLN  25          HE22      GLN  25  -5.409   5.365  -4.818
  209    H    PHE  26           H        PHE  26   1.080   5.268  -5.290
  210    HA   PHE  26           HA       PHE  26   2.398   5.416  -2.770
  211    HB2  PHE  26           HB2      PHE  26   2.091   7.408  -5.025
  212    HB3  PHE  26           HB3      PHE  26   2.995   7.770  -3.563
  213    HD1  PHE  26           HD1      PHE  26   4.696   5.861  -2.775
  214    HD2  PHE  26           HD2      PHE  26   3.382   6.506  -6.832
  215    HE1  PHE  26           HE1      PHE  26   6.688   4.647  -3.614
  216    HE2  PHE  26           HE2      PHE  26   5.393   5.312  -7.665
  217    HZ   PHE  26           HZ       PHE  26   7.045   4.375  -6.058
  218    H    GLU  27           H        GLU  27  -0.561   7.137  -3.846
  219    HA   GLU  27           HA       GLU  27  -0.829   8.216  -1.084
  220    HB2  GLU  27           HB2      GLU  27  -2.260   9.022  -3.613
  221    HB3  GLU  27           HB3      GLU  27  -2.297   9.874  -2.060
  222    HG2  GLU  27           HG2      GLU  27   0.010   9.665  -4.047
  223    HG3  GLU  27           HG3      GLU  27  -0.977  11.072  -3.709
  224    H    ARG  28           H        ARG  28  -2.755   7.865   0.048
  225    HA   ARG  28           HA       ARG  28  -4.058   5.363  -0.491
  226    HB2  ARG  28           HB2      ARG  28  -5.242   5.746   1.556
  227    HB3  ARG  28           HB3      ARG  28  -3.585   6.275   1.791
  228    HG2  ARG  28           HG2      ARG  28  -4.262   8.614   1.718
  229    HG3  ARG  28           HG3      ARG  28  -5.895   8.183   1.169
  230    HD2  ARG  28           HD2      ARG  28  -6.199   6.838   3.279
  231    HD3  ARG  28           HD3      ARG  28  -4.651   7.460   3.845
  232    HE   ARG  28           HE       ARG  28  -5.649   9.472   4.357
  233   HH11  ARG  28          HH11      ARG  28  -8.014   7.981   2.060
  234   HH12  ARG  28          HH12      ARG  28  -9.313   8.766   2.939
  235   HH21  ARG  28          HH21      ARG  28  -7.519  10.536   5.140
  236   HH22  ARG  28          HH22      ARG  28  -9.066  10.106   4.409
  237    HA   PRO  29           HA       PRO  29  -7.807   6.541  -2.719
  238    HB2  PRO  29           HB2      PRO  29  -9.801   5.264  -1.321
  239    HB3  PRO  29           HB3      PRO  29  -8.691   4.429  -2.454
  240    HG2  PRO  29           HG2      PRO  29  -8.356   4.729   0.561
  241    HG3  PRO  29           HG3      PRO  29  -8.359   3.225  -0.399
  242    HD2  PRO  29           HD2      PRO  29  -6.043   4.343   0.214
  243    HD3  PRO  29           HD3      PRO  29  -6.294   3.848  -1.485
  244    H    SER  30           H        SER  30  -9.105   8.386  -2.508
  245    HA   SER  30           HA       SER  30  -8.905   9.915  -0.061
  246    HB2  SER  30           HB2      SER  30  -9.681  11.723  -1.553
  247    HB3  SER  30           HB3      SER  30  -8.343  10.784  -2.266
  248    HG   SER  30           HG       SER  30 -10.100  11.154  -3.736
  249    H    GLY  31           H        GLY  31 -11.198   7.714  -0.907
  250    HA2  GLY  31           HA2      GLY  31 -13.701   8.998  -0.852
  251    HA3  GLY  31           HA3      GLY  31 -13.412   7.291  -0.513
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -10.427   4.363  -2.776
    2    H2   LYS   1           H2       LYS   1 -10.628   6.017  -2.691
    3    H3   LYS   1           H3       LYS   1 -11.722   5.112  -3.506
    4    HA   LYS   1           HA       LYS   1 -12.276   5.986  -1.227
    5    HB2  LYS   1           HB2      LYS   1 -12.777   3.204  -2.258
    6    HB3  LYS   1           HB3      LYS   1 -13.306   3.594  -0.624
    7    HG2  LYS   1           HG2      LYS   1 -13.992   5.377  -2.984
    8    HG3  LYS   1           HG3      LYS   1 -15.003   4.007  -2.515
    9    HD2  LYS   1           HD2      LYS   1 -15.496   4.915  -0.369
   10    HD3  LYS   1           HD3      LYS   1 -14.253   6.153  -0.484
   11    HE2  LYS   1           HE2      LYS   1 -16.768   6.041  -2.207
   12    HE3  LYS   1           HE3      LYS   1 -16.536   7.037  -0.763
   13    HZ1  LYS   1           HZ1      LYS   1 -15.112   7.297  -3.329
   14    HZ2  LYS   1           HZ2      LYS   1 -15.994   8.444  -2.537
   15    HZ3  LYS   1           HZ3      LYS   1 -14.514   7.957  -1.968
   16    H    LEU   2           H        LEU   2 -11.808   6.016   0.897
   17    HA   LEU   2           HA       LEU   2  -9.411   4.626   1.847
   18    HB2  LEU   2           HB2      LEU   2 -11.244   6.683   3.145
   19    HB3  LEU   2           HB3      LEU   2  -9.883   5.931   3.943
   20    HG   LEU   2           HG       LEU   2  -9.203   8.063   3.304
   21   HD11  LEU   2          HD11      LEU   2  -7.504   6.298   3.014
   22   HD12  LEU   2          HD12      LEU   2  -7.934   6.165   1.295
   23   HD13  LEU   2          HD13      LEU   2  -7.249   7.672   1.920
   24   HD21  LEU   2          HD21      LEU   2  -9.217   9.005   1.098
   25   HD22  LEU   2          HD22      LEU   2  -9.900   7.538   0.398
   26   HD23  LEU   2          HD23      LEU   2 -10.862   8.520   1.529
   27    HA   PRO   3           HA       PRO   3 -12.693   2.661   4.806
   28    HB2  PRO   3           HB2      PRO   3 -14.788   2.074   2.705
   29    HB3  PRO   3           HB3      PRO   3 -14.987   2.254   4.478
   30    HG2  PRO   3           HG2      PRO   3 -15.569   4.340   2.881
   31    HG3  PRO   3           HG3      PRO   3 -14.576   4.624   4.352
   32    HD2  PRO   3           HD2      PRO   3 -13.647   4.271   1.494
   33    HD3  PRO   3           HD3      PRO   3 -13.160   5.506   2.691
   34    HA   PRO   4           HA       PRO   4 -12.176  -1.428   2.195
   35    HB2  PRO   4           HB2      PRO   4  -9.904  -0.371   0.501
   36    HB3  PRO   4           HB3      PRO   4 -11.046  -1.710   0.147
   37    HG2  PRO   4           HG2      PRO   4 -11.435   0.710  -0.989
   38    HG3  PRO   4           HG3      PRO   4 -12.837  -0.156  -0.270
   39    HD2  PRO   4           HD2      PRO   4 -11.142   2.031   0.964
   40    HD3  PRO   4           HD3      PRO   4 -12.931   1.905   0.895
   41    H    GLY   5           H        GLY   5 -10.449  -2.990   2.613
   42    HA2  GLY   5           HA2      GLY   5  -8.969  -2.428   4.988
   43    HA3  GLY   5           HA3      GLY   5  -8.906  -3.914   4.039
   44    H    TRP   6           H        TRP   6  -7.787  -0.510   3.852
   45    HA   TRP   6           HA       TRP   6  -5.378  -1.169   2.380
   46    HB2  TRP   6           HB2      TRP   6  -6.169   1.352   3.883
   47    HB3  TRP   6           HB3      TRP   6  -4.707   1.131   2.901
   48    HD1  TRP   6           HD1      TRP   6  -8.352   2.001   2.483
   49    HE1  TRP   6           HE1      TRP   6  -8.730   2.688   0.026
   50    HE3  TRP   6           HE3      TRP   6  -3.931   0.431   0.608
   51    HZ2  TRP   6           HZ2      TRP   6  -7.187   2.556  -2.479
   52    HZ3  TRP   6           HZ3      TRP   6  -3.435   0.547  -1.851
   53    HH2  TRP   6           HH2      TRP   6  -5.092   1.577  -3.386
   54    H    GLU   7           H        GLU   7  -3.282  -0.940   2.990
   55    HA   GLU   7           HA       GLU   7  -2.481  -0.841   5.838
   56    HB2  GLU   7           HB2      GLU   7  -2.095  -3.014   3.811
   57    HB3  GLU   7           HB3      GLU   7  -0.682  -2.559   4.761
   58    HG2  GLU   7           HG2      GLU   7  -2.176  -2.899   6.844
   59    HG3  GLU   7           HG3      GLU   7  -3.297  -3.725   5.733
   60    H    LYS   8           H        LYS   8  -0.316  -0.106   6.096
   61    HA   LYS   8           HA       LYS   8   0.563   1.703   3.908
   62    HB2  LYS   8           HB2      LYS   8   1.328   1.828   6.843
   63    HB3  LYS   8           HB3      LYS   8   1.568   3.064   5.591
   64    HG2  LYS   8           HG2      LYS   8  -0.884   3.372   5.412
   65    HG3  LYS   8           HG3      LYS   8  -1.150   2.123   6.624
   66    HD2  LYS   8           HD2      LYS   8  -1.420   4.233   7.678
   67    HD3  LYS   8           HD3      LYS   8   0.034   3.455   8.320
   68    HE2  LYS   8           HE2      LYS   8   1.442   4.880   6.854
   69    HE3  LYS   8           HE3      LYS   8  -0.018   5.625   6.176
   70    HZ1  LYS   8           HZ1      LYS   8   0.785   5.760   9.022
   71    HZ2  LYS   8           HZ2      LYS   8   0.947   6.984   7.936
   72    HZ3  LYS   8           HZ3      LYS   8  -0.549   6.463   8.372
   73    H    ARG   9           H        ARG   9   2.633   1.759   3.163
   74    HA   ARG   9           HA       ARG   9   4.705  -0.140   4.158
   75    HB2  ARG   9           HB2      ARG   9   3.671   0.115   1.297
   76    HB3  ARG   9           HB3      ARG   9   5.125  -0.778   1.751
   77    HG2  ARG   9           HG2      ARG   9   2.282  -1.487   2.606
   78    HG3  ARG   9           HG3      ARG   9   3.206  -2.257   1.319
   79    HD2  ARG   9           HD2      ARG   9   4.905  -3.018   2.920
   80    HD3  ARG   9           HD3      ARG   9   4.061  -2.227   4.250
   81    HE   ARG   9           HE       ARG   9   3.266  -4.690   2.829
   82   HH11  ARG   9          HH11      ARG   9   2.199  -2.293   5.301
   83   HH12  ARG   9          HH12      ARG   9   1.087  -3.538   5.949
   84   HH21  ARG   9          HH21      ARG   9   1.693  -6.028   3.852
   85   HH22  ARG   9          HH22      ARG   9   0.817  -5.320   5.226
   86    H    MET  10           H        MET  10   6.870   0.369   3.049
   87    HA   MET  10           HA       MET  10   7.096   3.324   2.605
   88    HB2  MET  10           HB2      MET  10   8.722   1.442   4.327
   89    HB3  MET  10           HB3      MET  10   9.376   2.975   3.735
   90    HG2  MET  10           HG2      MET  10   8.576   3.427   5.891
   91    HG3  MET  10           HG3      MET  10   7.445   4.177   4.771
   92    HE1  MET  10           HE1      MET  10   5.222   3.317   7.870
   93    HE2  MET  10           HE2      MET  10   6.922   3.837   7.874
   94    HE3  MET  10           HE3      MET  10   5.766   4.585   6.744
   95    H    SER  11           H        SER  11   8.669   4.100   1.203
   96    HA   SER  11           HA       SER  11  10.583   2.298  -0.048
   97    HB2  SER  11           HB2      SER  11   8.147   3.234  -1.577
   98    HB3  SER  11           HB3      SER  11   9.702   2.960  -2.416
   99    HG   SER  11           HG       SER  11   8.786   1.067  -0.551
  100    H    CFD  12           H        CFD  12  12.372   3.359  -0.339
  101    HA   CFD  12           HA       CFD  12  12.756   5.972  -1.311
  102   H1G1  CFD  12          H1G       CFD  12  12.258   7.941  -0.471
  103    HD   CFD  12           HD       CFD  12  12.479   8.415   2.549
  104    H    ARG  13           H        ARG  13  10.047   7.144   0.612
  105    HA   ARG  13           HA       ARG  13   7.886   8.835   1.779
  106    HB2  ARG  13           HB2      ARG  13   8.601   8.879  -0.727
  107    HB3  ARG  13           HB3      ARG  13   7.729   7.352  -0.854
  108    HG2  ARG  13           HG2      ARG  13   5.644   8.510  -0.086
  109    HG3  ARG  13           HG3      ARG  13   6.580  10.001   0.138
  110    HD2  ARG  13           HD2      ARG  13   7.190   9.762  -2.385
  111    HD3  ARG  13           HD3      ARG  13   5.896   8.568  -2.452
  112    HE   ARG  13           HE       ARG  13   4.271  10.276  -2.186
  113   HH11  ARG  13          HH11      ARG  13   7.449  11.775  -1.773
  114   HH12  ARG  13          HH12      ARG  13   6.756  13.376  -1.860
  115   HH21  ARG  13          HH21      ARG  13   3.525  12.123  -2.257
  116   HH22  ARG  13          HH22      ARG  13   4.488  13.619  -2.148
  117    H    VAL  14           H        VAL  14   5.824   7.997   2.120
  118    HA   VAL  14           HA       VAL  14   5.660   5.087   2.710
  119    HB   VAL  14           HB       VAL  14   5.380   6.459   4.671
  120   HG11  VAL  14          HG11      VAL  14   4.453   8.537   3.669
  121   HG12  VAL  14          HG12      VAL  14   2.914   7.698   3.382
  122   HG13  VAL  14          HG13      VAL  14   3.502   7.949   5.033
  123   HG21  VAL  14          HG21      VAL  14   2.796   5.113   3.783
  124   HG22  VAL  14          HG22      VAL  14   4.178   4.363   4.600
  125   HG23  VAL  14          HG23      VAL  14   3.213   5.567   5.455
  126    H    TYR  15           H        TYR  15   4.163   3.854   1.765
  127    HA   TYR  15           HA       TYR  15   2.318   5.040  -0.236
  128    HB2  TYR  15           HB2      TYR  15   2.955   3.675  -1.930
  129    HB3  TYR  15           HB3      TYR  15   4.487   4.196  -1.276
  130    HD1  TYR  15           HD1      TYR  15   2.100   1.392  -1.709
  131    HD2  TYR  15           HD2      TYR  15   6.074   2.513  -0.448
  132    HE1  TYR  15           HE1      TYR  15   2.790  -0.994  -1.770
  133    HE2  TYR  15           HE2      TYR  15   6.760   0.126  -0.546
  134    HH   TYR  15           HH       TYR  15   6.133  -2.010  -1.052
  135    H    TYR  16           H        TYR  16   0.703   3.361  -1.057
  136    HA   TYR  16           HA       TYR  16  -0.373   1.962   1.373
  137    HB2  TYR  16           HB2      TYR  16  -1.595   3.882  -0.582
  138    HB3  TYR  16           HB3      TYR  16  -2.577   2.559  -0.002
  139    HD1  TYR  16           HD1      TYR  16  -0.008   4.451   2.018
  140    HD2  TYR  16           HD2      TYR  16  -4.184   3.636   1.313
  141    HE1  TYR  16           HE1      TYR  16  -0.576   5.607   4.119
  142    HE2  TYR  16           HE2      TYR  16  -4.768   4.858   3.385
  143    HH   TYR  16           HH       TYR  16  -3.939   5.974   5.238
  144    H    PHE  17           H        PHE  17  -0.993  -0.079   1.236
  145    HA   PHE  17           HA       PHE  17  -1.486  -1.313  -1.420
  146    HB2  PHE  17           HB2      PHE  17   0.380  -2.457  -1.160
  147    HB3  PHE  17           HB3      PHE  17   0.582  -1.952   0.524
  148    HD1  PHE  17           HD1      PHE  17  -0.497  -3.228   2.345
  149    HD2  PHE  17           HD2      PHE  17  -0.499  -4.669  -1.708
  150    HE1  PHE  17           HE1      PHE  17  -1.303  -5.446   3.144
  151    HE2  PHE  17           HE2      PHE  17  -1.164  -6.925  -0.899
  152    HZ   PHE  17           HZ       PHE  17  -1.591  -7.309   1.515
  153    H    ASN  18           H        ASN  18  -2.936  -2.999  -1.448
  154    HA   ASN  18           HA       ASN  18  -5.074  -2.632   0.599
  155    HB2  ASN  18           HB2      ASN  18  -5.373  -2.030  -1.818
  156    HB3  ASN  18           HB3      ASN  18  -5.226  -3.729  -2.225
  157   HD21  ASN  18          HD21      ASN  18  -7.541  -1.611  -2.235
  158   HD22  ASN  18          HD22      ASN  18  -8.847  -2.589  -1.565
  159    H    HIS  19           H        HIS  19  -5.373  -4.180   2.117
  160    HA   HIS  19           HA       HIS  19  -4.085  -6.774   1.915
  161    HB2  HIS  19           HB2      HIS  19  -4.392  -5.371   3.983
  162    HB3  HIS  19           HB3      HIS  19  -6.113  -5.754   3.949
  163    HD1  HIS  19           HD1      HIS  19  -2.917  -6.943   5.329
  164    HD2  HIS  19           HD2      HIS  19  -6.644  -8.588   4.202
  165    HE1  HIS  19           HE1      HIS  19  -3.068  -9.267   6.454
  166    HE2  HIS  19           HE2      HIS  19  -5.357 -10.255   5.760
  167    H    ILE  20           H        ILE  20  -7.137  -5.623   0.756
  168    HA   ILE  20           HA       ILE  20  -8.378  -8.328   0.816
  169    HB   ILE  20           HB       ILE  20  -9.532  -5.661  -0.087
  170   HG12  ILE  20          HG12      ILE  20  -9.886  -7.163   2.548
  171   HG13  ILE  20          HG13      ILE  20  -9.018  -5.641   2.330
  172   HG21  ILE  20          HG21      ILE  20 -10.603  -7.628  -1.162
  173   HG22  ILE  20          HG22      ILE  20 -10.888  -8.343   0.438
  174   HG23  ILE  20          HG23      ILE  20 -11.699  -6.838  -0.050
  175   HD11  ILE  20          HD11      ILE  20 -12.011  -6.060   2.052
  176   HD12  ILE  20          HD12      ILE  20 -11.141  -5.109   3.260
  177   HD13  ILE  20          HD13      ILE  20 -11.162  -4.569   1.568
  178    H    THR  21           H        THR  21  -7.341  -5.811  -1.525
  179    HA   THR  21           HA       THR  21  -7.833  -7.729  -3.753
  180    HB   THR  21           HB       THR  21  -7.913  -5.843  -5.208
  181    HG1  THR  21           HG1      THR  21  -7.489  -3.788  -4.471
  182   HG21  THR  21          HG21      THR  21  -9.743  -4.534  -4.357
  183   HG22  THR  21          HG22      THR  21  -9.953  -6.204  -3.805
  184   HG23  THR  21          HG23      THR  21  -9.356  -4.967  -2.678
  185    H    ASN  22           H        ASN  22  -5.154  -6.738  -1.990
  186    HA   ASN  22           HA       ASN  22  -3.016  -6.498  -2.262
  187    HB2  ASN  22           HB2      ASN  22  -1.758  -8.230  -3.229
  188    HB3  ASN  22           HB3      ASN  22  -3.243  -8.944  -2.606
  189   HD21  ASN  22          HD21      ASN  22  -1.986  -7.508  -5.656
  190   HD22  ASN  22          HD22      ASN  22  -2.687  -8.787  -6.678
  191    H    ALA  23           H        ALA  23  -4.720  -4.821  -4.140
  192    HA   ALA  23           HA       ALA  23  -2.796  -3.956  -6.141
  193    HB1  ALA  23           HB1      ALA  23  -5.238  -3.578  -6.357
  194    HB2  ALA  23           HB2      ALA  23  -5.198  -2.530  -4.918
  195    HB3  ALA  23           HB3      ALA  23  -4.334  -2.052  -6.393
  196    H    SER  24           H        SER  24  -1.669  -1.827  -6.068
  197    HA   SER  24           HA       SER  24  -1.361  -0.582  -3.439
  198    HB2  SER  24           HB2      SER  24   1.052  -0.671  -3.460
  199    HB3  SER  24           HB3      SER  24   0.408  -2.324  -3.555
  200    HG   SER  24           HG       SER  24   2.109  -1.947  -5.066
  201    H    GLN  25           H        GLN  25  -0.396   1.501  -3.489
  202    HA   GLN  25           HA       GLN  25   0.132   2.780  -6.065
  203    HB2  GLN  25           HB2      GLN  25  -1.534   4.632  -5.552
  204    HB3  GLN  25           HB3      GLN  25  -2.155   3.125  -6.214
  205    HG2  GLN  25           HG2      GLN  25  -2.928   2.405  -3.977
  206    HG3  GLN  25           HG3      GLN  25  -2.313   3.899  -3.270
  207   HE21  GLN  25          HE21      GLN  25  -3.329   5.956  -4.045
  208   HE22  GLN  25          HE22      GLN  25  -4.986   5.883  -4.701
  209    H    PHE  26           H        PHE  26   1.254   4.719  -5.908
  210    HA   PHE  26           HA       PHE  26   3.015   4.743  -3.681
  211    HB2  PHE  26           HB2      PHE  26   3.218   5.590  -6.248
  212    HB3  PHE  26           HB3      PHE  26   3.068   7.138  -5.438
  213    HD1  PHE  26           HD1      PHE  26   4.626   6.082  -2.797
  214    HD2  PHE  26           HD2      PHE  26   5.441   5.999  -7.037
  215    HE1  PHE  26           HE1      PHE  26   7.028   5.815  -2.334
  216    HE2  PHE  26           HE2      PHE  26   7.864   5.818  -6.554
  217    HZ   PHE  26           HZ       PHE  26   8.665   5.712  -4.201
  218    H    GLU  27           H        GLU  27   0.480   7.048  -4.697
  219    HA   GLU  27           HA       GLU  27   0.445   8.227  -1.989
  220    HB2  GLU  27           HB2      GLU  27  -0.897   9.037  -4.600
  221    HB3  GLU  27           HB3      GLU  27  -1.270   9.785  -3.046
  222    HG2  GLU  27           HG2      GLU  27   1.447   9.703  -4.393
  223    HG3  GLU  27           HG3      GLU  27   0.384  11.119  -4.293
  224    H    ARG  28           H        ARG  28  -1.266   8.143  -0.683
  225    HA   ARG  28           HA       ARG  28  -3.094   5.930  -0.736
  226    HB2  ARG  28           HB2      ARG  28  -4.102   7.181   1.188
  227    HB3  ARG  28           HB3      ARG  28  -2.386   6.857   1.361
  228    HG2  ARG  28           HG2      ARG  28  -2.999   9.538   0.172
  229    HG3  ARG  28           HG3      ARG  28  -3.625   9.272   1.784
  230    HD2  ARG  28           HD2      ARG  28  -1.556  10.280   2.113
  231    HD3  ARG  28           HD3      ARG  28  -1.325   8.599   2.554
  232    HE   ARG  28           HE       ARG  28  -0.253  10.003   0.090
  233   HH11  ARG  28          HH11      ARG  28   0.024   7.045   2.064
  234   HH12  ARG  28          HH12      ARG  28   1.714   6.898   1.527
  235   HH21  ARG  28          HH21      ARG  28   1.710   9.606  -0.479
  236   HH22  ARG  28          HH22      ARG  28   2.598   8.171   0.144
  237    HA   PRO  29           HA       PRO  29  -6.442   7.550  -3.216
  238    HB2  PRO  29           HB2      PRO  29  -8.206   6.771  -0.900
  239    HB3  PRO  29           HB3      PRO  29  -8.475   6.542  -2.661
  240    HG2  PRO  29           HG2      PRO  29  -7.587   4.513  -1.143
  241    HG3  PRO  29           HG3      PRO  29  -6.841   4.818  -2.751
  242    HD2  PRO  29           HD2      PRO  29  -5.783   5.525  -0.013
  243    HD3  PRO  29           HD3      PRO  29  -4.937   4.858  -1.447
  244    H    SER  30           H        SER  30  -7.210   9.660  -3.471
  245    HA   SER  30           HA       SER  30  -7.164  11.583  -1.319
  246    HB2  SER  30           HB2      SER  30  -7.888  13.090  -3.164
  247    HB3  SER  30           HB3      SER  30  -6.470  12.091  -3.584
  248    HG   SER  30           HG       SER  30  -8.144  12.169  -5.220
  249    H    GLY  31           H        GLY  31  -9.499   9.313  -2.255
  250    HA2  GLY  31           HA2      GLY  31 -11.525  10.131  -0.461
  251    HA3  GLY  31           HA3      GLY  31 -11.998  10.551  -2.121