*HEADER    SIGNALING PROTEIN                       07-OCT-10   2L4K              
*TITLE     WATER REFINED SOLUTION STRUCTURE OF THE HUMAN GRB7-SH2 DOMAIN IN      
*TITLE    2 COMPLEX WITH THE 10 AMINO ACID PEPTIDE PY1139                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 7;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 415-532;                                      
*COMPND   5 SYNONYM: GRB7 ADAPTER PROTEIN, EPIDERMAL GROWTH FACTOR RECEPTOR GRB- 
*COMPND   6 7, B47;                                                              
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2;                   
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 FRAGMENT: UNP RESIDUES 1135-1144;                                    
*COMPND  12 SYNONYM: P185ERBB2, TYROSINE KINASE-TYPE CELL SURFACE RECEPTOR HER2, 
*COMPND  13 METASTATIC LYMPH NODE GENE 19 PROTEIN, MLN 19;                       
*COMPND  14 EC: 2.7.10.1;                                                        
*COMPND  15 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: GRB7;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX-2T;                                  
*SOURCE  11 MOL_ID: 2;                                                           
*SOURCE  12 SYNTHETIC: YES;                                                      
*SOURCE  13 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  14 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  15 ORGANISM_TAXID: 9606                                                 
*KEYWDS    GRB7, SH2 DOMAIN, ERBB2 RECEPTOR, WATER REFINEMENT, SIGNALING PROTEIN 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    S.C.PIAS, M.IVANCIC, P.J.BRESCIA, D.L.JOHNSON, D.E.SMITH, R.J.DALY,   
*AUTHOR   2 B.A.LYONS                                                            
*REVDAT   1   17-NOV-10 2L4K    0                                                


### 
#  NOE-based distance restraints
###

#
# 4 ALA HN 4 ALA HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  38, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, 
      rk2=0.0, rk3=60.0, ir6=1, ialtd=0,
 &end
#
# 4 ALA HN 4 ALA QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=  40,  41,  42,
 &end
#
# 6 GLY HA2 7 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  64, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 7 THR HN 7 THR HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 8 SER HN 8 SER HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  80, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 8 SER HN 8 SER QB 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=  82,  83,
 &end
#
# 8 SER HA 9 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  89, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 9 LEU HN 9 LEU HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  91, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 9 LEU HA 10 SER HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 108, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 10 SER HN 10 SER HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 110, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 10 SER HA 11 ALA HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 119, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 10 SER QB 11 ALA HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 112, 113,
 &end
#
# 11 ALA HN 11 ALA HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 11 ALA QB 12 ALA HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 123, 124, 125,
 &end
#
# 12 ALA HN 12 ALA HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 12 ALA HA 13 ILE HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 139, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 12 ALA QB 13 ILE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 133, 134, 135,
 &end
#
# 13 ILE HN 13 ILE HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 141, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 13 ILE HN 13 ILE QG2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 145, 146, 147,
 &end
#
# 13 ILE HN 13 ILE QD1 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 152, 153, 154,
 &end
#
# 14 HIS HN 14 HIS HD2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 171, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 14 HIS HN 14 HIS HE1 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 14 HIS HN 14 HIS QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 162, 163,
 &end
#
# 14 HIS HN 15 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 175, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 14 HIS HD2 15 ARG+ HN 2.30 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 175, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80,  &end
#
# 14 HIS QB 15 ARG+ HN 0.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 175, r1= 0.30, r2= 0.80, r3= 4.80, r4= 5.30,
 igr1= 162, 163,
 &end
#
# 14 HIS HA 15 ARG+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 14 HIS QB 16 THR HN 2.30 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
 igr1= 162, 163,
 &end
#
# 14 HIS HA 16 THR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 199, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 15 ARG+ HN 15 ARG+ HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 177, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 15 ARG+ HN 15 ARG+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 179, 180,
 &end
#
# 15 ARG+ HN 15 ARG+ QG 2.30 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.80, r2= 2.30, r3= 4.80, r4= 5.30,
 igr2= 182, 183,
 &end
#
# 15 ARG+ HN 15 ARG+ QD 3.30 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 2.80, r2= 3.30, r3= 5.80, r4= 6.30,
 igr2= 185, 186,
 &end
#
# 15 ARG+ HA 16 THR HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 ARG+ HN 16 THR HA 2.30 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 201, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80,  &end
#
# 15 ARG+ HN 16 THR QG2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 205, 206, 207,
 &end
#
# 15 ARG+ HN 18 LEU QD2 0.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 0.30, r2= 0.80, r3= 4.80, r4= 5.30,
 igr2= 243, 244, 245,
 &end
#
# 15 ARG+ QG 18 LEU HN 2.30 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
 igr1= 182, 183,
 &end
#
# 15 ARG+ HN 18 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 230, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 15 ARG+ HN 15 ARG+ QG 2.30 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175,  -1, r1= 1.80, r2= 2.30, r3= 4.80, r4= 5.30,
 igr2= 182, 183,
 &end
#
# 15 ARG+ QD 15 ARG+ QB 3.30 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.80, r2= 3.30, r3= 6.80, r4= 7.30,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
# 15 ARG+ QD 15 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
# 15 ARG+ HN 16 THR HA 2.30 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 201, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80,  &end
#
# 15 ARG+ HE 16 THR QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 205, 206, 207,
 &end
#
# 15 ARG+ QG 18 LEU QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 182, 183,
 igr2= 234, 235,
 &end
#
# 15 ARG+ QG 16 THR QG2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 182, 183,
 igr2= 205, 206, 207,
 &end
#
# 15 ARG+ QD 16 THR QG2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 185, 186,
 igr2= 205, 206, 207,
 &end
#
# 15 ARG+ QG 18 LEU QD2 2.30 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.80, r2= 2.30, r3= 7.30, r4= 7.80,
 igr1= 182, 183,
 igr2= 243, 244, 245,
 &end
#
# 15 ARG+ HA 16 THR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 15 ARG+ QB 16 THR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 179, 180,
 &end
#
# 15 ARG+ QG 16 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 182, 183,
 &end
#
# 15 ARG+ HN 16 THR HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 199, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 16 THR HN 16 THR HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 16 THR HN 16 THR HB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 16 THR HN 16 THR QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 205, 206, 207,
 &end
#
# 16 THR HN 17 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 16 THR HN 18 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 234, 235,
 &end
#
# 16 THR HA 17 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 16 THR HN 18 LEU QD2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 243, 244, 245,
 &end
#
# 16 THR HB 17 GLN HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 16 THR QG2 17 GLN HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 205, 206, 207,
 &end
#
# 16 THR HN 18 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 234, 235,
 &end
#
# 16 THR HB 18 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 16 THR HA 18 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 230, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 16 THR HN 16 THR HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 16 THR HN 18 LEU QD2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 243, 244, 245,
 &end
#
# 16 THR HA 17 GLN QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 217, 218,
 &end
#
# 16 THR HA 17 GLN QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 220, 221,
 &end
#
# 16 THR HA 17 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 16 THR HB 17 GLN QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 217, 218,
 &end
#
# 17 GLN HE21 17 GLN QB 3.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 3.30, r2= 3.80, r3= 6.30, r4= 6.80,
 igr2= 217, 218,
 &end
#
# 17 GLN QG 17 GLN HE21 1.30 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 225, r1= 0.80, r2= 1.30, r3= 3.80, r4= 4.30,
 igr1= 220, 221,
 &end
#
# 17 GLN QG 17 GLN HE22 2.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 2.30, r2= 2.80, r3= 5.30, r4= 5.80,
 igr1= 220, 221,
 &end
#
# 17 GLN QG 17 GLN HN 1.30 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 0.80, r2= 1.30, r3= 3.80, r4= 4.30,
 igr1= 220, 221,
 &end
#
# 17 GLN QB 17 GLN HN 2.30 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.80, r2= 2.30, r3= 4.80, r4= 5.30,
 igr1= 217, 218,
 &end
#
# 17 GLN HA 17 GLN HN 2.30 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.80, r2= 2.30, r3= 3.80, r4= 4.30,  &end
#
# 17 GLN HN 17 GLN HE21 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 17 GLN HN 18 LEU HA 2.30 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80,  &end
#
# 17 GLN HN 18 LEU QB 2.30 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
 igr2= 234, 235,
 &end
#
# 17 GLN HE22 18 LEU QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 234, 235,
 &end
#
# 17 GLN HN 18 LEU HN 0.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 230, r1= 0.30, r2= 0.80, r3= 3.80, r4= 4.30,  &end
#
# 17 GLN QG 18 LEU HN 2.30 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
 igr1= 220, 221,
 &end
#
# 17 GLN QB 18 LEU HN 2.30 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.80, r2= 2.30, r3= 6.30, r4= 6.80,
 igr1= 217, 218,
 &end
#
# 17 GLN HA 18 LEU HN 0.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 230, r1= 0.30, r2= 0.80, r3= 3.80, r4= 4.30,  &end
#
# 17 GLN HE22 18 LEU HN 2.30 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.80, r2= 2.30, r3= 5.30, r4= 5.80,  &end
#
# 17 GLN HE21 18 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 17 GLN HE21 17 GLN QG 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2= 220, 221,
 &end
#
# 17 GLN HE22 17 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 220, 221,
 &end
#
# 17 GLN HA 17 GLN QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 217, 218,
 &end
#
# 17 GLN QG 17 GLN QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 220, 221,
 igr2= 217, 218,
 &end
#
# 17 GLN QB 18 LEU HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 217, 218,
 &end
#
# 18 LEU QD2 18 LEU HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 243, 244, 245,
 &end
#
# 18 LEU QD1 18 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 239, 240, 241,
 &end
#
# 18 LEU QB 18 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 234, 235,
 &end
#
# 18 LEU QB 18 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 234, 235,
 &end
#
# 18 LEU HA 18 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 230, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 18 LEU HN 19 TRP HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 249, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 18 LEU HA 19 TRP HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 18 LEU QQD 19 TRP HN 1.80 8.20
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,  &end
#
# 18 LEU QQD 20 PHE QB 1.80 7.70
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr2= 277, 278,
 &end
#
# 19 TRP HA 19 TRP HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 249, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 19 TRP QB 19 TRP HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 249, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 253, 254,
 &end
#
# 19 TRP HE1 19 TRP HH2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 264, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 19 TRP HE1 19 TRP QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 253, 254,
 &end
#
# 19 TRP HN 20 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 273, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 19 TRP HE1 115 CYS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 259,1840, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 19 TRP HA 44 LEU QD1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 665, 666, 667,
 &end
#
# 19 TRP QB 43 PHE HE 1.80 7.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1= 253, 254,
 igr2= 646, 650,
 &end
#
# 20 PHE QB 20 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 277, 278,
 &end
#
# 20 PHE HA 21 HIS HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 293, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20 PHE HA 44 LEU QD2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 669, 670, 671,
 &end
#
# 20 PHE HA 44 LEU HG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 663, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 20 PHE QB 45 VAL HB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 277, 278,
 &end
#
# 20 PHE QB 21 HIS HA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 277, 278,
 &end
#
# 20 PHE HD 45 VAL QG1 1.80 7.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 281, 289,
 igr2= 681, 682, 683,
 &end
#
# 21 HIS HN 21 HIS QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 297, 298,
 &end
#
# 21 HIS HN 21 HIS HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 21 HIS HN 46 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 695, 696,
 &end
#
# 21 HIS HA 22 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 310, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 21 HIS HB2 21 HIS HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 295, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 21 HIS HB2 44 LEU HG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 663, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 21 HIS HN 44 LEU QD1 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 665, 666, 667,
 &end
#
# 21 HIS HA 46 ARG+ HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 693, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 21 HIS QB 46 ARG+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 297, 298,
 &end
#
# 21 HIS QB 46 ARG+ QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 297, 298,
 igr2= 695, 696,
 &end
#
# 22 GLY HN 22 GLY HA2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 22 GLY HN 22 GLY HA3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 313, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 22 GLY HN 24 ILE HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 345, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 22 GLY HN 46 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 695, 696,
 &end
#
# 22 GLY HA3 49 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 22 GLY HA3 46 ARG+ HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 693, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 22 GLY HN 46 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 695, 696,
 &end
#
# 22 GLY HN 49 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 746, 747,
 &end
#
# 23 ARG+ HN 23 ARG+ QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 324, 325,
 &end
#
# 23 ARG+ HN 23 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 321, 322,
 &end
#
# 23 ARG+ HN 23 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 23 ARG+ HN 23 ARG+ QD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 327, 328,
 &end
#
# 23 ARG+ HA 47 GLU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 715, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 23 ARG+ HA 48 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 23 ARG+ HA 49 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 23 ARG+ HA 49 GLN HE21 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 754, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 23 ARG+ QD 50 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 327, 328,
 igr2= 763, 764,
 &end
#
# 23 ARG+ QD 50 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 327, 328,
 &end
#
# 23 ARG+ QB 50 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 &end
#
# 23 ARG+ HA 50 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 759, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 23 ARG+ QD 23 ARG+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 327, 328,
 igr2= 321, 322,
 &end
#
# 23 ARG+ QD 23 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 327, 328,
 igr2= 324, 325,
 &end
#
# 23 ARG+ QB 23 ARG+ QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 321, 322,
 igr2= 324, 325,
 &end
#
# 23 ARG+ QD 50 ARG+ QD 1.80 7.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1= 327, 328,
 igr2= 769, 770,
 &end
#
# 23 ARG+ QB 48 SER HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 321, 322,
 &end
#
# 23 ARG+ QB 49 GLN QB 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 321, 322,
 igr2= 746, 747,
 &end
#
# 23 ARG+ HA 24 ILE HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 341, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 23 ARG+ QD 48 SER HA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 327, 328,
 &end
#
# 23 ARG+ QG 49 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 324, 325,
 &end
#
# 23 ARG+ QG 49 GLN QG 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 324, 325,
 igr2= 749, 750,
 &end
#
# 23 ARG+ QD 50 ARG+ QB 1.80 7.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1= 327, 328,
 igr2= 763, 764,
 &end
#
# 24 ILE HA 24 ILE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 24 ILE HB 24 ILE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 24 ILE HB 25 SER HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 24 ILE QG1 25 SER HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 351, 352,
 &end
#
# 24 ILE HB 24 ILE QD1 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 354, 355, 356,
 &end
#
# 24 ILE HB 24 ILE QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 347, 348, 349,
 &end
#
# 24 ILE QG2 46 ARG+ QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 347, 348, 349,
 igr2= 695, 696,
 &end
#
# 24 ILE QG2 46 ARG+ HE 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 347, 348, 349,
 &end
#
# 24 ILE QG2 46 ARG+ HA 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 347, 348, 349,
 &end
#
# 24 ILE HB 46 ARG+ QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 695, 696,
 &end
#
# 24 ILE HN 48 SER HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 733, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 25 SER HA 25 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 25 SER QB 25 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 365,
 &end
#
# 25 SER HN 26 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 25 SER HN 29 SER HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 25 SER HA 28 GLU- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 25 SER QB 28 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 364, 365,
 &end
#
# 25 SER HA 29 SER HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 25 SER QB 25 SER HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 364, 365,
 &end
#
# 25 SER HA 26 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 375, 376,
 &end
#
# 25 SER HA 26 ARG+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 371, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25 SER QB 28 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 364, 365,
 &end
#
# 25 SER QB 26 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 365,
 &end
#
# 25 SER QB 28 GLU- QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 364, 365,
 igr2= 417, 418,
 &end
#
# 25 SER QB 29 SER HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 364, 365,
 &end
#
# 26 ARG+ HA 26 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 371, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 26 ARG+ QD 26 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 381, 382,
 &end
#
# 26 ARG+ QB 26 ARG+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 375, 376,
 &end
#
# 26 ARG+ QG 26 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 378, 379,
 &end
#
# 26 ARG+ HN 27 GLU- QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 402, 403,
 &end
#
# 26 ARG+ HN 27 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 26 ARG+ QG 27 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 378, 379,
 &end
#
# 26 ARG+ HA 28 GLU- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 26 ARG+ QG 28 GLU- HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 378, 379,
 &end
#
# 26 ARG+ HA 29 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 26 ARG+ HA 30 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 ARG+ HA 46 ARG+ HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 704, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 ARG+ HE 125 Y2P HD 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2=2003,2010,
 &end
#
# 26 ARG+ HE 124 GLU- HB2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 384,1984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 ARG+ HE 124 GLU- HB3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 384,1985, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 26 ARG+ HE 124 GLU- QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1987,1988,
 &end
#
# 26 ARG+ HA 26 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 375, 376,
 &end
#
# 26 ARG+ QD 26 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 381, 382,
 igr2= 375, 376,
 &end
#
# 26 ARG+ QD 26 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 381, 382,
 igr2= 378, 379,
 &end
#
# 26 ARG+ QG 26 ARG+ HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 378, 379,
 &end
#
# 26 ARG+ HA 30 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 ARG+ HA 29 SER QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 429, 430,
 &end
#
# 26 ARG+ HA 30 GLN QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 443, 444,
 &end
#
# 26 ARG+ QB 47 GLU HA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 375, 376,
 &end
#
# 26 ARG+ QB 56 VAL HB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 375, 376,
 &end
#
# 26 ARG+ QB 56 VAL QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 375, 376,
 igr2= 861, 862, 863,
 &end
#
# 26 ARG+ QG 125 Y2P HE 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 378, 379,
 igr2=2005,2008,
 &end
#
# 26 ARG+ QG 125 Y2P HD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 378, 379,
 igr2=2003,2010,
 &end
#
# 26 ARG+ QG 125 Y2P HD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 378, 379,
 igr2=2003,2010,
 &end
#
# 26 ARG+ QG 125 Y2P HE 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 378, 379,
 igr2=2005,2008,
 &end
#
# 27 GLU- HA 27 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 27 GLU- QG 27 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 402, 403,
 &end
#
# 27 GLU- QG 28 GLU- HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 402, 403,
 &end
#
# 27 GLU- HA 28 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 27 GLU- HA 29 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 27 GLU- HA 30 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 28 GLU- HA 28 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 410, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 28 GLU- QG 28 GLU- HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 417, 418,
 &end
#
# 28 GLU- QB 28 GLU- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 414, 415,
 &end
#
# 28 GLU- HN 29 SER HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 28 GLU- HN 29 SER HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 425, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 28 GLU- HA 29 SER HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 425, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 28 GLU- QB 29 SER HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 414, 415,
 &end
#
# 28 GLU- HA 30 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 28 GLU- HN 30 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 28 GLU- HA 31 ARG+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 28 GLU- QB 32 LEU HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 414, 415,
 &end
#
# 28 GLU- QB 28 GLU- QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 414, 415,
 igr2= 417, 418,
 &end
#
# 28 GLU- QB 28 GLU- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 414, 415,
 &end
#
# 28 GLU- HA 29 SER HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 427, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 28 GLU- HA 29 SER QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 429, 430,
 &end
#
# 28 GLU- QB 31 ARG+ QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 414, 415,
 igr2= 457, 458,
 &end
#
# 28 GLU- QB 32 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 414, 415,
 igr2= 486, 487, 488,
 &end
#
# 29 SER HA 29 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 SER QB 29 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 425, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 429, 430,
 &end
#
# 29 SER HN 32 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 486, 487, 488,
 &end
#
# 29 SER HN 30 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 SER HA 30 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 436, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 29 SER QB 30 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 429, 430,
 &end
#
# 29 SER HA 32 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 477, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 SER HA 33 ILE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 496, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 29 SER HA 32 LEU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 481, 482,
 &end
#
# 29 SER HA 31 ARG+ QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 457, 458,
 &end
#
# 29 SER QB 30 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 429, 430,
 &end
#
# 29 SER QB 30 GLN HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 429, 430,
 &end
#
# 29 SER HA 32 LEU QQD 1.80 6.20
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 483, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 29 SER HN 32 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 486, 487, 488,
 &end
#
# 29 SER HA 33 ILE QD1 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 509, 510, 511,
 &end
#
# 30 GLN HE21 30 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 30 GLN HA 30 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 30 GLN QG 30 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 443, 444,
 &end
#
# 30 GLN QB 30 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 440, 441,
 &end
#
# 30 GLN QB 30 GLN HE21 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 440, 441,
 &end
#
# 30 GLN QG 30 GLN HE21 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 443, 444,
 &end
#
# 30 GLN QB 30 GLN HE22 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 440, 441,
 &end
#
# 30 GLN QG 30 GLN HE22 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 443, 444,
 &end
#
# 30 GLN HA 30 GLN HE21 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 30 GLN HE21 30 GLN HE22 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 449, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 30 GLN HN 33 ILE HB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 500, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 30 GLN HN 33 ILE QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 509, 510, 511,
 &end
#
# 30 GLN HA 31 ARG+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 30 GLN QG 31 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 443, 444,
 &end
#
# 30 GLN QB 31 ARG+ HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 440, 441,
 &end
#
# 30 GLN HA 32 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 477, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 30 GLN HA 33 ILE HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 496, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 30 GLN QB 34 GLY HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 440, 441,
 &end
#
# 30 GLN QB 65 VAL HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 440, 441,
 &end
#
# 30 GLN HE21 65 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 448,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 30 GLN QB 30 GLN HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 440, 441,
 &end
#
# 30 GLN QG 30 GLN HE21 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 443, 444,
 &end
#
# 30 GLN QG 30 GLN HE22 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 443, 444,
 &end
#
# 30 GLN QG 30 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 443, 444,
 igr2= 440, 441,
 &end
#
# 30 GLN HE21 30 GLN QB 0.60 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 0.10, r2= 0.60, r3= 3.60, r4= 4.10,
 igr2= 440, 441,
 &end
#
# 30 GLN HA 65 VAL HB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 438,1010, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 30 GLN HA 33 ILE HB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 500, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 30 GLN HA 33 ILE QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 509, 510, 511,
 &end
#
# 30 GLN QB 34 GLY HA2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 440, 441,
 &end
#
# 30 GLN HE22 65 VAL QG2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1016,1017,1018,
 &end
#
# 30 GLN HE21 66 LYS+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 448,1024, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 30 GLN QB 66 LYS+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 440, 441,
 &end
#
# 31 ARG+ HN 31 ARG+ HE 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 466, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 31 ARG+ HN 31 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 31 ARG+ QB 31 ARG+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 457, 458,
 &end
#
# 31 ARG+ QG 31 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 460, 461,
 &end
#
# 31 ARG+ HE 31 ARG+ HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 31 ARG+ HN 32 LEU QQD 1.80 7.20
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 483, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 31 ARG+ HN 34 GLY HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 31 ARG+ HN 32 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 477, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 31 ARG+ QB 33 ILE HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 457, 458,
 &end
#
# 31 ARG+ HN 31 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 31 ARG+ QB 32 LEU HG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 457, 458,
 &end
#
# 31 ARG+ QG 32 LEU QD1 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 460, 461,
 igr2= 486, 487, 488,
 &end
#
# 31 ARG+ QG 32 LEU HG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 460, 461,
 &end
#
# 31 ARG+ QG 32 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 460, 461,
 &end
#
# 31 ARG+ QG 32 LEU QQD 1.80 8.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,
 igr1= 460, 461,
 &end
#
# 32 LEU HA 32 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 479, 477, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 32 LEU QB 32 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 481, 482,
 &end
#
# 32 LEU HG 32 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 477, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 32 LEU QD1 32 LEU HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 486, 487, 488,
 &end
#
# 32 LEU QQD 32 LEU HN 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 477, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 32 LEU HN 33 ILE HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 500, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 32 LEU HN 33 ILE QD1 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 509, 510, 511,
 &end
#
# 32 LEU HG 33 ILE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 496, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 32 LEU QD1 33 ILE HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 486, 487, 488,
 &end
#
# 32 LEU QQD 33 ILE HN 1.80 7.20
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 496, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 32 LEU HN 34 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 515, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 32 LEU HA 32 LEU QD1 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 486, 487, 488,
 &end
#
# 32 LEU HA 32 LEU QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 481, 482,
 &end
#
# 32 LEU QD1 32 LEU QD2 1.80 6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 486, 487, 488,
 igr2= 490, 491, 492,
 &end
#
# 32 LEU QD1 32 LEU HG 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 486, 487, 488,
 &end
#
# 32 LEU QD1 32 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 486, 487, 488,
 igr2= 481, 482,
 &end
#
# 32 LEU QQD 33 ILE QD1 1.80 8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr2= 509, 510, 511,
 &end
#
# 33 ILE HA 33 ILE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 33 ILE HB 33 ILE HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 496, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 33 ILE QG1 33 ILE HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 506, 507,
 &end
#
# 33 ILE QG2 33 ILE HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE HN 34 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 33 ILE HN 35 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 522, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 33 ILE HA 34 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 33 ILE HB 34 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 33 ILE QG2 34 GLY HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE QD1 34 GLY HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 509, 510, 511,
 &end
#
# 33 ILE HN 34 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 33 ILE HA 35 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 522, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 33 ILE HB 35 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 33 ILE QG2 35 GLN HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE HA 36 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 539, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 33 ILE QG2 36 GLN QE2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 502, 503, 504,
 igr2= 551, 552,
 &end
#
# 33 ILE QG1 36 GLN QE2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 506, 507,
 igr2= 551, 552,
 &end
#
# 33 ILE HA 36 GLN QE2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2= 551, 552,
 &end
#
# 33 ILE QG2 117 ARG+ HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE QG1 33 ILE HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 506, 507,
 &end
#
# 33 ILE QG1 33 ILE HB 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 506, 507,
 &end
#
# 33 ILE QG2 33 ILE HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE QD1 33 ILE HA 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 509, 510, 511,
 &end
#
# 33 ILE QD1 33 ILE HB 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 509, 510, 511,
 &end
#
# 33 ILE QD1 33 ILE QG2 1.80 6.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 509, 510, 511,
 igr2= 502, 503, 504,
 &end
#
# 33 ILE QG2 33 ILE HB 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE HB 34 GLY HA3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 518, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 33 ILE QG2 34 GLY HA3 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 502, 503, 504,
 &end
#
# 33 ILE QG2 36 GLN QG 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 502, 503, 504,
 igr2= 546, 547,
 &end
#
# 33 ILE HA 36 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 546, 547,
 &end
#
# 34 GLY HA3 34 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 34 GLY HA2 34 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 34 GLY HN 35 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 526, 527,
 &end
#
# 34 GLY HN 65 VAL HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 515,1010, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 34 GLY HN 36 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 34 GLY HN 35 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 522, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 34 GLY HA2 35 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 522, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 34 GLY HA3 35 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 522, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 34 GLY HA2 36 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 34 GLY HA3 36 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 34 GLY HA2 65 VAL QG1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1012,1013,1014,
 &end
#
# 34 GLY HA3 65 VAL QG1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1012,1013,1014,
 &end
#
# 34 GLY HA3 65 VAL QG2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1016,1017,1018,
 &end
#
# 35 GLN HN 35 GLN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 35 GLN HN 35 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 529, 530,
 &end
#
# 35 GLN HN 35 GLN QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 526, 527,
 &end
#
# 35 GLN HN 36 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 35 GLN HN 36 GLN QE2 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 551, 552,
 &end
#
# 35 GLN HN 36 GLN HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 541, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 35 GLN HN 36 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 546, 547,
 &end
#
# 35 GLN HA 36 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 35 GLN QG 36 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 529, 530,
 &end
#
# 35 GLN QB 36 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 526, 527,
 &end
#
# 35 GLN HN 35 GLN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 35 GLN QB 35 GLN HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 526, 527,
 &end
#
# 35 GLN QB 35 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 526, 527,
 &end
#
# 35 GLN QB 35 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 526, 527,
 igr2= 529, 530,
 &end
#
# 35 GLN HA 36 GLN HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 35 GLN QG 36 GLN QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 529, 530,
 igr2= 546, 547,
 &end
#
# 36 GLN HA 36 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 36 GLN QG 36 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 546, 547,
 &end
#
# 36 GLN QB 36 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 543, 544,
 &end
#
# 36 GLN QE2 36 GLN QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 551, 552,
 igr2= 546, 547,
 &end
#
# 36 GLN QE2 36 GLN QB 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 551, 552,
 igr2= 543, 544,
 &end
#
# 36 GLN QB 37 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 543, 544,
 &end
#
# 36 GLN HA 37 GLY HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 36 GLN HA 38 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 36 GLN QB 38 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 543, 544,
 &end
#
# 36 GLN QE2 117 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 551, 552,
 &end
#
# 36 GLN HA 36 GLN QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 546, 547,
 &end
#
# 36 GLN HA 36 GLN HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 36 GLN HA 36 GLN QE2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2= 551, 552,
 &end
#
# 36 GLN QB 36 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 543, 544,
 igr2= 546, 547,
 &end
#
# 36 GLN QB 36 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 543, 544,
 &end
#
# 36 GLN QB 36 GLN QE2 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 543, 544,
 igr2= 551, 552,
 &end
#
# 36 GLN HA 38 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 576, 577, 578,
 &end
#
# 36 GLN HA 37 GLY HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 36 GLN HA 37 GLY HA3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 559, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 36 GLN QB 38 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 543, 544,
 igr2= 576, 577, 578,
 &end
#
# 37 GLY HN 37 GLY HA3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 559, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 37 GLY HN 37 GLY HA2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 558, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 37 GLY HN 38 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 576, 577, 578,
 &end
#
# 37 GLY HN 38 LEU HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 565, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 37 GLY HN 38 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 37 GLY HN 38 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 37 GLY HA2 38 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 563, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 37 GLY HA3 38 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 37 GLY HA2 37 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 556, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 37 GLY HA3 37 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 556, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 37 GLY HA3 37 GLY HA2 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 558, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 37 GLY HN 38 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 576, 577, 578,
 &end
#
# 38 LEU HA 38 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 38 LEU QB 38 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 567, 568,
 &end
#
# 38 LEU HG 38 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 LEU QD1 38 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 572, 573, 574,
 &end
#
# 38 LEU QD2 38 LEU HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 576, 577, 578,
 &end
#
# 38 LEU HN 39 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 582, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 38 LEU HN 60 CYS HB2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 924, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 38 LEU HA 39 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 38 LEU QB 39 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 567, 568,
 &end
#
# 38 LEU HG 39 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 582, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 LEU QD1 39 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 572, 573, 574,
 &end
#
# 38 LEU HN 38 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 38 LEU HG 38 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 565, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 38 LEU QD2 38 LEU HA 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 576, 577, 578,
 &end
#
# 38 LEU QD1 38 LEU HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 572, 573, 574,
 &end
#
# 38 LEU QD1 38 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 572, 573, 574,
 &end
#
# 38 LEU QD2 38 LEU QB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 576, 577, 578,
 igr2= 567, 568,
 &end
#
# 38 LEU QD2 38 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 576, 577, 578,
 &end
#
# 38 LEU HG 42 LEU HG 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 624, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 38 LEU QD2 42 LEU HG 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 576, 577, 578,
 &end
#
# 38 LEU QB 39 VAL QG2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 567, 568,
 igr2= 592, 593, 594,
 &end
#
# 38 LEU QB 42 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 567, 568,
 igr2= 630, 631, 632,
 &end
#
# 39 VAL HA 39 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 39 VAL HB 39 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 582, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 39 VAL QG1 39 VAL HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 588, 589, 590,
 &end
#
# 39 VAL QG2 39 VAL HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 592, 593, 594,
 &end
#
# 39 VAL HN 110 LEU HG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 582,1755, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 39 VAL HN 40 ASP- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 598, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 39 VAL HA 40 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 39 VAL HB 40 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 39 VAL QG2 40 ASP- HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 592, 593, 594,
 &end
#
# 39 VAL QG1 40 ASP- HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 588, 589, 590,
 &end
#
# 39 VAL HB 41 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 39 VAL HA 41 GLY HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 610, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 39 VAL HA 39 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 39 VAL HA 39 VAL QG1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 588, 589, 590,
 &end
#
# 39 VAL HA 39 VAL QG2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 592, 593, 594,
 &end
#
# 39 VAL HB 39 VAL QG1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 588, 589, 590,
 &end
#
# 39 VAL HB 39 VAL QG2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 592, 593, 594,
 &end
#
# 39 VAL HN 39 VAL QG2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 592, 593, 594,
 &end
#
# 39 VAL HN 39 VAL QG1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 588, 589, 590,
 &end
#
# 39 VAL HA 40 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 598, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 39 VAL HA 110 LEU HG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 584,1755, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 39 VAL HB 110 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1761,1762,1763,
 &end
#
# 39 VAL QG1 40 ASP- HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 588, 589, 590,
 &end
#
# 39 VAL QG2 40 ASP- HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 592, 593, 594,
 &end
#
# 39 VAL QG2 41 GLY HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 592, 593, 594,
 &end
#
# 39 VAL QG2 110 LEU QB 1.80 7.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 592, 593, 594,
 igr2=1752,1753,
 &end
#
# 39 VAL HA 41 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 610, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 39 VAL HB 41 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 39 VAL QG2 42 LEU HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 592, 593, 594,
 &end
#
# 39 VAL QG2 42 LEU HG 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 592, 593, 594,
 &end
#
# 39 VAL QG2 42 LEU QD2 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 592, 593, 594,
 igr2= 630, 631, 632,
 &end
#
# 39 VAL HB 110 LEU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1752,1753,
 &end
#
# 39 VAL HB 110 LEU HG 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 586,1755, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40 ASP- HN 40 ASP- HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 600, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 40 ASP- HN 40 ASP- QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 602, 603,
 &end
#
# 40 ASP- HN 41 GLY HA2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 40 ASP- HN 61 HIS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 933, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 40 ASP- HN 109 CYS HB2 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598,1741, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 40 ASP- HN 110 LEU QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1752,1753,
 &end
#
# 40 ASP- HN 106 ILE QG2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1691,1692,1693,
 &end
#
# 40 ASP- HN 62 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 40 ASP- HN 41 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 610, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 40 ASP- HN 110 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 598,1748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 40 ASP- HA 41 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 610, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 40 ASP- HA 42 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 617, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 40 ASP- QB 62 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 602, 603,
 &end
#
# 40 ASP- HA 40 ASP- QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 602, 603,
 &end
#
# 40 ASP- HN 40 ASP- QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 602, 603,
 &end
#
# 40 ASP- HA 41 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 610, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 40 ASP- QB 61 HIS HB2 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 602, 603,
 &end
#
# 40 ASP- HN 110 LEU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1752,1753,
 &end
#
# 41 GLY HN 41 GLY HA3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 613, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 41 GLY HN 41 GLY HA2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 41 GLY HN 110 LEU QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1752,1753,
 &end
#
# 41 GLY HN 113 HIS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 610,1812, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 41 GLY HN 42 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 619, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 41 GLY HN 61 HIS HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 933, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 41 GLY HA2 42 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 41 GLY HA3 42 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 617, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 41 GLY HA3 43 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 636, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 41 GLY HA3 60 CYS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 41 GLY HN 60 CYS HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 920, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 41 GLY HA3 105 GLY QA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1680,1681,
 &end
#
# 41 GLY HA2 105 GLY QA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1680,1681,
 &end
#
# 41 GLY HA3 106 ILE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 613,1685, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 41 GLY HA2 114 CYS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1827, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 41 GLY HA3 114 CYS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 613,1827, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 41 GLY HA2 41 GLY HA3 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 613, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 41 GLY HA2 113 HIS HA 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 612,1812, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42 LEU HN 42 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 619, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 42 LEU HN 42 LEU QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 621, 622,
 &end
#
# 42 LEU HN 61 HIS HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 933, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 42 LEU HN 60 CYS HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 922, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 42 LEU HN 43 PHE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 636, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 42 LEU HA 43 PHE HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 636, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42 LEU QB 43 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 621, 622,
 &end
#
# 42 LEU QD1 43 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 626, 627, 628,
 &end
#
# 42 LEU HA 60 CYS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 42 LEU QB 60 CYS HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 621, 622,
 &end
#
# 42 LEU HN 60 CYS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 42 LEU QD1 114 CYS HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 626, 627, 628,
 &end
#
# 42 LEU QD2 114 CYS HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 630, 631, 632,
 &end
#
# 42 LEU HA 116 THR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 619,1849, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 42 LEU QD1 116 THR HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1849, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 626, 627, 628,
 &end
#
# 42 LEU QB 117 ARG+ HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 621, 622,
 &end
#
# 42 LEU HG 42 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 624, 619, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 42 LEU QB 42 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 621, 622,
 &end
#
# 42 LEU QD1 42 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 626, 627, 628,
 &end
#
# 42 LEU QB 42 LEU HG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 621, 622,
 &end
#
# 42 LEU QD1 42 LEU HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 626, 627, 628,
 &end
#
# 42 LEU QD1 42 LEU QD2 1.80 5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 626, 627, 628,
 igr2= 630, 631, 632,
 &end
#
# 42 LEU QD2 42 LEU HG 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 630, 631, 632,
 &end
#
# 42 LEU HA 60 CYS HB3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 925, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 42 LEU HA 113 HIS HB3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 619,1815, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 42 LEU HA 114 CYS HB2 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 619,1831, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 42 LEU QD1 43 PHE HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 626, 627, 628,
 &end
#
# 43 PHE HA 43 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 636, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 43 PHE HB3 43 PHE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 636, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 43 PHE HB2 43 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 636, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 43 PHE HE 43 PHE HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 646, 650,
 &end
#
# 43 PHE HD 43 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 644, 652,
 &end
#
# 43 PHE HN 59 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 903, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HN 115 CYS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 636,1840, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HN 60 CYS HB3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 925, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HN 113 HIS HB3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 636,1815, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 43 PHE HN 59 LEU QD2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 914, 915, 916,
 &end
#
# 43 PHE HN 44 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 656, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HN 116 THR HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 636,1849, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HN 114 CYS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 636,1827, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 43 PHE HB3 44 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 43 PHE HB2 44 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 656, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 43 PHE HD 44 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 644, 652,
 &end
#
# 43 PHE HD 45 VAL HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 644, 652,
 &end
#
# 43 PHE HA 59 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 901, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HA 60 CYS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 43 PHE HB3 60 CYS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 43 PHE HB2 60 CYS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 920, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 43 PHE HA 43 PHE HB3 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 641, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 43 PHE HB2 43 PHE HB3 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 43 PHE HA 44 LEU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 660, 661,
 &end
#
# 43 PHE HB3 58 SER HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 890, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 43 PHE HB3 59 LEU QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 905, 906,
 &end
#
# 43 PHE HB3 57 LEU QD2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 884, 885, 886,
 &end
#
# 43 PHE HB2 59 LEU QD2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 914, 915, 916,
 &end
#
# 43 PHE HD 59 LEU QD2 1.80 8.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
 igr1= 644, 652,
 igr2= 914, 915, 916,
 &end
#
# 43 PHE HB3 59 LEU QD2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 914, 915, 916,
 &end
#
# 43 PHE HN 113 HIS HB2 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 636,1814, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 LEU HN 44 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 658, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 44 LEU HN 44 LEU HG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 663, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 LEU HN 44 LEU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 660, 661,
 &end
#
# 44 LEU HN 59 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 903, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 44 LEU HN 57 LEU HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 873, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 44 LEU HN 57 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 884, 885, 886,
 &end
#
# 44 LEU HN 59 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 914, 915, 916,
 &end
#
# 44 LEU HN 58 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 44 LEU HN 45 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 LEU HA 45 VAL HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 675, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 44 LEU HG 45 VAL HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 675, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 44 LEU QB 45 VAL HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 660, 661,
 &end
#
# 44 LEU QD1 45 VAL HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 665, 666, 667,
 &end
#
# 44 LEU HG 46 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 691, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 44 LEU QB 46 ARG+ HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 660, 661,
 &end
#
# 44 LEU QB 44 LEU HG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 660, 661,
 &end
#
# 44 LEU QD1 44 LEU QD2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 665, 666, 667,
 igr2= 669, 670, 671,
 &end
#
# 44 LEU QD1 44 LEU HG 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 665, 666, 667,
 &end
#
# 44 LEU QD1 44 LEU QB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 665, 666, 667,
 igr2= 660, 661,
 &end
#
# 44 LEU QD2 44 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 669, 670, 671,
 &end
#
# 44 LEU QD2 44 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 669, 670, 671,
 igr2= 660, 661,
 &end
#
# 44 LEU HG 46 ARG+ QD 1.80 7.20
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr2= 701, 702,
 &end
#
# 44 LEU QD1 118 VAL QQG 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 665, 666, 667,
 &end
#
# 44 LEU QD2 46 ARG+ QB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 669, 670, 671,
 igr2= 695, 696,
 &end
#
# 44 LEU HG 45 VAL HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 679, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 44 LEU HG 46 ARG+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 693, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 LEU QB 46 ARG+ QD 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 660, 661,
 igr2= 701, 702,
 &end
#
# 44 LEU HG 46 ARG+ QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 695, 696,
 &end
#
# 44 LEU HA 58 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 890, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 44 LEU QB 58 SER HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 660, 661,
 &end
#
# 44 LEU HN 59 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 903, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 44 LEU HN 59 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 914, 915, 916,
 &end
#
# 45 VAL HN 45 VAL HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 677, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 45 VAL HN 45 VAL HB 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 679, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 45 VAL HN 45 VAL QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 685, 686, 687,
 &end
#
# 45 VAL HN 45 VAL QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 681, 682, 683,
 &end
#
# 45 VAL HN 58 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 890, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 45 VAL HA 46 ARG+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 691, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45 VAL HB 46 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 691, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 45 VAL QG1 46 ARG+ HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL QG1 57 LEU HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL QG1 58 SER HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL HB 45 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 685, 686, 687,
 &end
#
# 45 VAL HN 45 VAL QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 681, 682, 683,
 &end
#
# 45 VAL HN 45 VAL QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 685, 686, 687,
 &end
#
# 45 VAL HB 45 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 685, 686, 687,
 &end
#
# 45 VAL HB 45 VAL QG1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 681, 682, 683,
 &end
#
# 45 VAL QG2 45 VAL QG1 1.80 5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 685, 686, 687,
 igr2= 681, 682, 683,
 &end
#
# 45 VAL QG2 57 LEU HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 685, 686, 687,
 &end
#
# 45 VAL QG1 46 ARG+ HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL QG1 58 SER HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL QG1 81 PHE HE 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 681, 682, 683,
 igr2=1291,1295,
 &end
#
# 45 VAL QG1 56 VAL HA 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 857, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL QG1 56 VAL QG2 1.80 6.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 681, 682, 683,
 igr2= 865, 866, 867,
 &end
#
# 45 VAL HB 46 ARG+ HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 693, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 45 VAL QG1 55 PHE HA 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 681, 682, 683,
 &end
#
# 45 VAL HA 56 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 855, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 45 VAL QG1 57 LEU QD2 1.80 7.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 681, 682, 683,
 igr2= 884, 885, 886,
 &end
#
# 45 VAL HA 58 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 46 ARG+ HA 46 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 691, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 46 ARG+ QD 46 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 701, 702,
 &end
#
# 46 ARG+ QB 46 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 695, 696,
 &end
#
# 46 ARG+ QD 46 ARG+ HE 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 701, 702,
 &end
#
# 46 ARG+ HN 57 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 873, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 46 ARG+ HN 47 GLU HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 717, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 46 ARG+ HN 56 VAL QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 861, 862, 863,
 &end
#
# 46 ARG+ HE 56 VAL QG1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 861, 862, 863,
 &end
#
# 46 ARG+ HA 47 GLU HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 46 ARG+ QB 47 GLU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 695, 696,
 &end
#
# 46 ARG+ HN 47 GLU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 715, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 46 ARG+ QD 46 ARG+ HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 701, 702,
 &end
#
# 46 ARG+ QB 46 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 695, 696,
 &end
#
# 46 ARG+ HN 46 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 693, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 46 ARG+ QB 46 ARG+ QD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 695, 696,
 igr2= 701, 702,
 &end
#
# 46 ARG+ HA 55 PHE HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 837, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 46 ARG+ HA 47 GLU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 717, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 46 ARG+ HA 47 GLU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 719, 720,
 &end
#
# 46 ARG+ HA 47 GLU HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 46 ARG+ QD 58 SER HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 701, 702,
 &end
#
# 46 ARG+ QD 56 VAL HB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 701, 702,
 &end
#
# 46 ARG+ QD 47 GLU HA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 701, 702,
 &end
#
# 46 ARG+ HN 47 GLU HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 717, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 46 ARG+ HN 56 VAL QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 861, 862, 863,
 &end
#
# 46 ARG+ HN 56 VAL QG2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 865, 866, 867,
 &end
#
# 46 ARG+ HE 56 VAL QG1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 861, 862, 863,
 &end
#
# 47 GLU HA 47 GLU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 47 GLU QG 47 GLU HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 722, 723,
 &end
#
# 47 GLU QB 47 GLU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 719, 720,
 &end
#
# 47 GLU HA 48 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 47 GLU QG 48 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 722, 723,
 &end
#
# 47 GLU QG 54 GLY HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 722, 723,
 &end
#
# 47 GLU QB 54 GLY HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 719, 720,
 &end
#
# 47 GLU QG 55 PHE HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 722, 723,
 &end
#
# 47 GLU HA 56 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 855, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 47 GLU QB 56 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 719, 720,
 &end
#
# 47 GLU QG 56 VAL HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 722, 723,
 &end
#
# 47 GLU HA 47 GLU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 719, 720,
 &end
#
# 47 GLU HA 47 GLU QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 722, 723,
 &end
#
# 47 GLU HA 47 GLU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 47 GLU QG 47 GLU HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 722, 723,
 &end
#
# 47 GLU QG 47 GLU QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 722, 723,
 igr2= 719, 720,
 &end
#
# 47 GLU HA 56 VAL QG1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 861, 862, 863,
 &end
#
# 47 GLU HA 56 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 865, 866, 867,
 &end
#
# 47 GLU HA 48 SER HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 731, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 47 GLU QG 56 VAL HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 722, 723,
 &end
#
# 47 GLU QG 48 SER HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 722, 723,
 &end
#
# 47 GLU QG 56 VAL QG1 1.80 7.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 722, 723,
 igr2= 861, 862, 863,
 &end
#
# 47 GLU QB 56 VAL QG1 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 719, 720,
 igr2= 861, 862, 863,
 &end
#
# 47 GLU QB 48 SER QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 719, 720,
 igr2= 735, 736,
 &end
#
# 47 GLU QB 54 GLY HA2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 719, 720,
 &end
#
# 47 GLU QB 55 PHE HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 719, 720,
 &end
#
# 47 GLU QG 55 PHE HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 722, 723,
 &end
#
# 48 SER HN 48 SER QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 735, 736,
 &end
#
# 48 SER HN 48 SER HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 733, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 48 SER HN 54 GLY HA2 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 830, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 48 SER HN 49 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 742, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 48 SER HA 49 GLN HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 742, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 48 SER QB 49 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 735, 736,
 &end
#
# 48 SER QB 51 ASN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 735, 736,
 &end
#
# 48 SER HA 51 ASN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 783, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 48 SER QB 54 GLY HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 735, 736,
 &end
#
# 48 SER HN 54 GLY HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 828, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 48 SER HN 56 VAL HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 855, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 48 SER QB 51 ASN QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 735, 736,
 igr2= 792, 793,
 &end
#
# 48 SER HA 48 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 731, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 48 SER HA 49 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 749, 750,
 &end
#
# 48 SER HA 50 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 759, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 49 GLN HA 49 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 49 GLN QB 49 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 746, 747,
 &end
#
# 49 GLN QG 49 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 749, 750,
 &end
#
# 49 GLN HE22 49 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 49 GLN HE21 49 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 742, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 49 GLN HE21 49 GLN QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 746, 747,
 &end
#
# 49 GLN HE21 49 GLN HE22 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 754, 755, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49 GLN HN 51 ASN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 49 GLN HN 50 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 49 GLN HE21 50 ARG+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 763, 764,
 &end
#
# 49 GLN QG 50 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 749, 750,
 &end
#
# 49 GLN HE22 50 ARG+ QD 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 769, 770,
 &end
#
# 49 GLN HA 51 ASN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 783, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 49 GLN QG 49 GLN QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 749, 750,
 igr2= 746, 747,
 &end
#
# 49 GLN QG 49 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 749, 750,
 &end
#
# 49 GLN QG 49 GLN HE21 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 749, 750,
 &end
#
# 49 GLN QB 49 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 746, 747,
 &end
#
# 50 ARG+ HA 50 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 759, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 50 ARG+ QG 50 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 766, 767,
 &end
#
# 50 ARG+ QB 50 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 763, 764,
 &end
#
# 50 ARG+ QG 50 ARG+ HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 766, 767,
 &end
#
# 50 ARG+ QD 50 ARG+ HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 769, 770,
 &end
#
# 50 ARG+ QB 50 ARG+ HE 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 763, 764,
 &end
#
# 50 ARG+ HN 51 ASN HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 785, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 50 ARG+ HA 51 ASN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 783, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 50 ARG+ QB 51 ASN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 763, 764,
 &end
#
# 50 ARG+ QG 51 ASN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 766, 767,
 &end
#
# 50 ARG+ QG 51 ASN QD2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 766, 767,
 igr2= 792, 793,
 &end
#
# 50 ARG+ QB 51 ASN QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 763, 764,
 igr2= 792, 793,
 &end
#
# 50 ARG+ QG 50 ARG+ HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 766, 767,
 &end
#
# 50 ARG+ QB 50 ARG+ HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 763, 764,
 &end
#
# 50 ARG+ HN 50 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 761, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 50 ARG+ QD 50 ARG+ QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 769, 770,
 igr2= 766, 767,
 &end
#
# 50 ARG+ QD 50 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 769, 770,
 igr2= 763, 764,
 &end
#
# 50 ARG+ QD 50 ARG+ HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 769, 770,
 &end
#
# 50 ARG+ QB 50 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 763, 764,
 igr2= 766, 767,
 &end
#
# 50 ARG+ HE 50 ARG+ QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 766, 767,
 &end
#
# 50 ARG+ QD 51 ASN QD2 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 769, 770,
 igr2= 792, 793,
 &end
#
# 51 ASN HA 51 ASN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 783, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 51 ASN QB 51 ASN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 787, 788,
 &end
#
# 51 ASN QD2 51 ASN HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 792, 793,
 &end
#
# 51 ASN QD2 51 ASN QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 792, 793,
 igr2= 787, 788,
 &end
#
# 51 ASN HN 53 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 811, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 51 ASN QB 54 GLY HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 787, 788,
 &end
#
# 51 ASN HN 125 Y2P HE 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=2005,2008,
 &end
#
# 51 ASN QD2 125 Y2P HE 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 792, 793,
 igr2=2005,2008,
 &end
#
# 51 ASN QB 51 ASN HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 787, 788,
 &end
#
# 51 ASN QD2 51 ASN HA 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 792, 793,
 &end
#
# 51 ASN QD2 51 ASN QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 792, 793,
 igr2= 787, 788,
 &end
#
# 51 ASN HN 51 ASN QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 787, 788,
 &end
#
# 53 GLN HN 53 GLN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 53 GLN HN 53 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 815, 816,
 &end
#
# 53 GLN HN 53 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 818, 819,
 &end
#
# 53 GLN HN 55 PHE HE 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 845, 849,
 &end
#
# 53 GLN QG 54 GLY HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 818, 819,
 &end
#
# 53 GLN QB 54 GLY HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 815, 816,
 &end
#
# 53 GLN HA 54 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 828, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 53 GLN HA 53 GLN QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 818, 819,
 &end
#
# 53 GLN HA 53 GLN QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 815, 816,
 &end
#
# 53 GLN QG 53 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 818, 819,
 igr2= 815, 816,
 &end
#
# 53 GLN HA 71 LEU HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 813,1122, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 53 GLN HN 54 GLY HA2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 830, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 54 GLY HA3 54 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 828, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 54 GLY HA2 54 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 828, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 54 GLY HN 55 PHE HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 835, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 54 GLY HA2 55 PHE HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 837, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 54 GLY HA3 55 PHE HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 835, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 PHE HA 55 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 835, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 55 PHE QB 55 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 839, 840,
 &end
#
# 55 PHE HN 69 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 835,1084, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 55 PHE HN 56 VAL HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 857, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 55 PHE HA 56 VAL HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 837, 855, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55 PHE QB 55 PHE HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 839, 840,
 &end
#
# 55 PHE HN 55 PHE HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 55 PHE QB 55 PHE HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 839, 840,
 &end
#
# 55 PHE HA 56 VAL QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 861, 862, 863,
 &end
#
# 55 PHE QB 69 LEU HA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 839, 840,
 &end
#
# 55 PHE QB 79 LEU QQD 1.80 7.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1= 839, 840,
 &end
#
# 56 VAL HA 56 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 855, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 56 VAL HB 56 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 855, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 56 VAL QG1 56 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 861, 862, 863,
 &end
#
# 56 VAL QG2 56 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 865, 866, 867,
 &end
#
# 56 VAL HN 69 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 855,1084, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 56 VAL HN 69 LEU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 855,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1086,1087,
 &end
#
# 56 VAL HB 57 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 56 VAL QG2 57 LEU HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 865, 866, 867,
 &end
#
# 56 VAL HA 68 TYR HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 857,1061, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 56 VAL HB 68 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 859,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 56 VAL HA 56 VAL QG1 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 861, 862, 863,
 &end
#
# 56 VAL HA 56 VAL HB 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 859, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 56 VAL QG1 56 VAL HB 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 861, 862, 863,
 &end
#
# 56 VAL QG2 56 VAL HB 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 865, 866, 867,
 &end
#
# 56 VAL QG2 56 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 865, 866, 867,
 &end
#
# 56 VAL QG1 56 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 855, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 861, 862, 863,
 &end
#
# 56 VAL QG1 56 VAL QG2 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 861, 862, 863,
 igr2= 865, 866, 867,
 &end
#
# 56 VAL HA 57 LEU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 875, 876,
 &end
#
# 56 VAL HA 68 TYR HB3 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 857,1066, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 56 VAL HA 68 TYR HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 857,1061, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 56 VAL HB 69 LEU QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1086,1087,
 &end
#
# 56 VAL HB 69 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 859,1084, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 56 VAL HB 67 HIS HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 859,1046, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 56 VAL QG1 69 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 861, 862, 863,
 igr2=1086,1087,
 &end
#
# 56 VAL QG2 69 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 865, 866, 867,
 igr2=1086,1087,
 &end
#
# 56 VAL QG1 67 HIS HB3 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 861, 862, 863,
 &end
#
# 56 VAL HA 68 TYR HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 857,1063, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 56 VAL HB 125 Y2P HD 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=2003,2010,
 &end
#
# 56 VAL QG1 125 Y2P HE 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 861, 862, 863,
 igr2=2005,2008,
 &end
#
# 56 VAL QG1 125 Y2P HD 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 861, 862, 863,
 igr2=2003,2010,
 &end
#
# 56 VAL HA 125 Y2P HE 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=2005,2008,
 &end
#
# 56 VAL QG1 125 Y2P HE 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 861, 862, 863,
 igr2=2005,2008,
 &end
#
# 57 LEU HA 57 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 871, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 57 LEU QB 57 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 875, 876,
 &end
#
# 57 LEU HG 57 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 871, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 57 LEU HN 68 TYR HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 871,1063, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 57 LEU HN 68 TYR HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 871,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57 LEU HN 69 LEU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1086,1087,
 &end
#
# 57 LEU QD2 58 SER HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 884, 885, 886,
 &end
#
# 57 LEU HA 68 TYR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 57 LEU QB 68 TYR HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 875, 876,
 &end
#
# 57 LEU QB 57 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 875, 876,
 &end
#
# 57 LEU QD2 57 LEU HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 884, 885, 886,
 &end
#
# 57 LEU QD2 57 LEU QB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 884, 885, 886,
 igr2= 875, 876,
 &end
#
# 57 LEU HA 68 TYR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 57 LEU HA 68 TYR HB3 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 873,1066, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 57 LEU QD2 58 SER HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 884, 885, 886,
 &end
#
# 57 LEU QD2 58 SER OG 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 884, 885, 886,
 &end
#
# 57 LEU HG 58 SER HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 890, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 57 LEU QB 58 SER HA 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 875, 876,
 &end
#
# 57 LEU HG 59 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 914, 915, 916,
 &end
#
# 57 LEU QB 67 HIS HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 875, 876,
 &end
#
# 58 SER HA 58 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 58 SER QB 58 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 894, 895,
 &end
#
# 58 SER HN 67 HIS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 890,1046, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 58 SER HN 59 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 914, 915, 916,
 &end
#
# 58 SER HA 67 HIS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 892,1044, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 58 SER HA 68 TYR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 892,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 58 SER HN 67 HIS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 890,1046, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 59 LEU HN 59 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 903, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 59 LEU HN 59 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 905, 906,
 &end
#
# 59 LEU HN 59 LEU QD1 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 910, 911, 912,
 &end
#
# 59 LEU HN 59 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 914, 915, 916,
 &end
#
# 59 LEU QB 59 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 905, 906,
 igr2= 914, 915, 916,
 &end
#
# 59 LEU HN 66 LYS+ HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1024, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 59 LEU HN 60 CYS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 922, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 59 LEU HN 65 VAL HB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1010, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 59 LEU HN 66 LYS+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 59 LEU HA 60 CYS HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 920, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 59 LEU QB 60 CYS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 905, 906,
 &end
#
# 59 LEU QD2 60 CYS HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 914, 915, 916,
 &end
#
# 59 LEU QB 66 LYS+ HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 905, 906,
 &end
#
# 59 LEU QD1 106 ILE HA 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 910, 911, 912,
 &end
#
# 59 LEU QD1 107 LEU HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 910, 911, 912,
 &end
#
# 59 LEU HN 59 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 903, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 59 LEU QD1 59 LEU HA 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 910, 911, 912,
 &end
#
# 59 LEU QD2 59 LEU HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 914, 915, 916,
 &end
#
# 59 LEU QD2 59 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 914, 915, 916,
 igr2= 905, 906,
 &end
#
# 59 LEU QD2 59 LEU HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 914, 915, 916,
 &end
#
# 59 LEU QD1 59 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 910, 911, 912,
 igr2= 905, 906,
 &end
#
# 59 LEU HA 60 CYS HB3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 925, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 59 LEU QB 66 LYS+ QG 1.80 7.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1= 905, 906,
 igr2=1029,1030,
 &end
#
# 59 LEU HN 67 HIS HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 901,1046, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 60 CYS HA 60 CYS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 60 CYS HB2 60 CYS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 920, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 60 CYS HB3 60 CYS HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 60 CYS HN 61 HIS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 60 CYS HB2 61 HIS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 60 CYS HB2 65 VAL QG1 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1012,1013,1014,
 &end
#
# 60 CYS HN 61 HIS HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 60 CYS HN 61 HIS HB2 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 60 CYS HN 61 HIS HB3 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 936, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 61 HIS HN 64 LYS+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 984, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 61 HIS HN 65 VAL QQG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 931,1009, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 61 HIS HB3 62 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 948, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 61 HIS HB2 62 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 948, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 61 HIS HA 62 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 61 HIS HN 62 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 948, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 61 HIS HA 63 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 967, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 61 HIS HB2 63 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 61 HIS HB3 64 LYS+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 936, 984, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 61 HIS HN 64 LYS+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 984, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 61 HIS HB3 64 LYS+ QD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 994, 995,
 &end
#
# 61 HIS HN 64 LYS+ HG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 991, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 62 LEU HN 62 LEU QD1 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 957, 958, 959,
 &end
#
# 62 LEU HN 62 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 950, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 62 LEU HN 63 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 974, 975,
 &end
#
# 62 LEU HN 63 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 967, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 62 LEU HA 63 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 967, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 62 LEU QD1 110 LEU HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 957, 958, 959,
 &end
#
# 62 LEU HA 62 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 957, 958, 959,
 &end
#
# 62 LEU HA 62 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 961, 962, 963,
 &end
#
# 62 LEU HA 62 LEU HG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 955, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 62 LEU HA 62 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 62 LEU HN 62 LEU QD1 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2= 957, 958, 959,
 &end
#
# 62 LEU HA 62 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 957, 958, 959,
 &end
#
# 62 LEU HA 63 GLN HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 950, 969, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 62 LEU QD1 109 CYS HB2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 957, 958, 959,
 &end
#
# 62 LEU QD1 109 CYS HB3 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 957, 958, 959,
 &end
#
# 62 LEU QD2 109 CYS HB2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 961, 962, 963,
 &end
#
# 63 GLN HA 63 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 63 GLN QB 63 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 971, 972,
 &end
#
# 63 GLN QG 63 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 974, 975,
 &end
#
# 63 GLN HA 64 LYS+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 984, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 63 GLN QG 64 LYS+ HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 974, 975,
 &end
#
# 63 GLN QB 64 LYS+ QD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 971, 972,
 igr2= 994, 995,
 &end
#
# 63 GLN QB 64 LYS+ QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 971, 972,
 igr2= 988, 989,
 &end
#
# 63 GLN HA 63 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 63 GLN HA 63 GLN QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 971, 972,
 &end
#
# 63 GLN HA 63 GLN QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 974, 975,
 &end
#
# 63 GLN QG 63 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 974, 975,
 &end
#
# 63 GLN HA 64 LYS+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 986, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 63 GLN HA 64 LYS+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 988, 989,
 &end
#
# 64 LYS+ HA 64 LYS+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 984, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 LYS+ QE 64 LYS+ HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 997, 998,
 &end
#
# 64 LYS+ QD 64 LYS+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 994, 995,
 &end
#
# 64 LYS+ QB 64 LYS+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 988, 989,
 &end
#
# 64 LYS+ QG 64 LYS+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 991, 992,
 &end
#
# 64 LYS+ QB 64 LYS+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 988, 989,
 &end
#
# 64 LYS+ HA 65 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 986,1006, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 LYS+ HN 65 VAL QQG 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1009, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
# 64 LYS+ QB 65 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 988, 989,
 &end
#
# 64 LYS+ QD 65 VAL HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 994, 995,
 &end
#
# 64 LYS+ HN 65 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 64 LYS+ HN 64 LYS+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 986, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 64 LYS+ HN 64 LYS+ QD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 994, 995,
 &end
#
# 64 LYS+ HN 64 LYS+ QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 988, 989,
 &end
#
# 64 LYS+ HA 64 LYS+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 988, 989,
 &end
#
# 64 LYS+ QE 64 LYS+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 997, 998,
 igr2= 991, 992,
 &end
#
# 64 LYS+ QD 64 LYS+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 994, 995,
 igr2= 991, 992,
 &end
#
# 64 LYS+ QB 64 LYS+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 988, 989,
 igr2= 991, 992,
 &end
#
# 64 LYS+ QB 65 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 988, 989,
 &end
#
# 64 LYS+ QG 65 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 991, 992,
 &end
#
# 64 LYS+ QG 66 LYS+ QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 991, 992,
 igr2=1026,1027,
 &end
#
# 64 LYS+ QG 66 LYS+ QD 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 991, 992,
 igr2=1032,1033,
 &end
#
# 64 LYS+ QD 66 LYS+ QD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 994, 995,
 igr2=1032,1033,
 &end
#
# 65 VAL QG2 65 VAL HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1016,1017,1018,
 &end
#
# 65 VAL QG1 65 VAL HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1012,1013,1014,
 &end
#
# 66 LYS+ HA 66 LYS+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 65 VAL HB 66 LYS+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 65 VAL QG1 66 LYS+ HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1012,1013,1014,
 &end
#
# 65 VAL HB 65 VAL QG1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1012,1013,1014,
 &end
#
# 65 VAL QG2 65 VAL QG1 1.80 5.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1016,1017,1018,
 igr2=1012,1013,1014,
 &end
#
# 65 VAL HB 65 VAL QG2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1016,1017,1018,
 &end
#
# 65 VAL QG1 66 LYS+ HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1012,1013,1014,
 &end
#
# 65 VAL HA 66 LYS+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1022, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 65 VAL HN 66 LYS+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 65 VAL HA 66 LYS+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 65 VAL HB 66 LYS+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1024, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 65 VAL HA 66 LYS+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1026,1027,
 &end
#
# 65 VAL HN 66 LYS+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1026,1027,
 &end
#
# 66 LYS+ HA 66 LYS+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1022, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 66 LYS+ QB 66 LYS+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1026,1027,
 &end
#
# 66 LYS+ QD 66 LYS+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1032,1033,
 &end
#
# 66 LYS+ QG 66 LYS+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1029,1030,
 &end
#
# 66 LYS+ HN 67 HIS HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 66 LYS+ HA 67 HIS HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1044, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 66 LYS+ QG 67 HIS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1029,1030,
 &end
#
# 66 LYS+ QD 67 HIS HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1032,1033,
 &end
#
# 66 LYS+ HN 66 LYS+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 66 LYS+ QB 66 LYS+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1026,1027,
 &end
#
# 66 LYS+ QD 66 LYS+ HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1032,1033,
 &end
#
# 66 LYS+ QG 66 LYS+ HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,
 &end
#
# 66 LYS+ QD 66 LYS+ QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1032,1033,
 igr2=1026,1027,
 &end
#
# 66 LYS+ QG 66 LYS+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,
 igr2=1026,1027,
 &end
#
# 66 LYS+ QG 66 LYS+ QD 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,
 igr2=1032,1033,
 &end
#
# 66 LYS+ QB 66 LYS+ QD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1026,1027,
 igr2=1032,1033,
 &end
#
# 66 LYS+ HA 67 HIS HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 66 LYS+ QD 67 HIS HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1032,1033,
 &end
#
# 66 LYS+ QG 67 HIS HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1046, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1029,1030,
 &end
#
# 66 LYS+ QB 126 VAL QQG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1026,1027,
 &end
#
# 66 LYS+ HA 67 HIS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1046, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 67 HIS HA 67 HIS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 67 HIS HB2 67 HIS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1044, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 67 HIS HB3 67 HIS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1044, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 67 HIS HA 68 TYR HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 67 HIS HB2 68 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1048,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 67 HIS HB3 68 TYR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 67 HIS HA 69 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1082, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 67 HIS HA 67 HIS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 67 HIS HA 68 TYR HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1046,1063, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 68 TYR HA 68 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 68 TYR HB2 68 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 68 TYR HB3 68 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 68 TYR HD 68 TYR HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1069,1078,
 &end
#
# 68 TYR HN 69 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1061,1084, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 68 TYR HN 69 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1086,1087,
 &end
#
# 68 TYR HB2 69 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1065,1082, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 68 TYR HB3 69 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1082, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 68 TYR HD 69 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1069,1078,
 &end
#
# 68 TYR HA 68 TYR HB2 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 68 TYR HA 70 ILE QG1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1111,1112,
 &end
#
# 68 TYR HA 69 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1063,1084, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 68 TYR HA 81 PHE HD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1289,1297,
 &end
#
# 69 LEU HA 69 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1084,1082, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 69 LEU QD1 69 LEU HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1091,1092,1093,
 &end
#
# 69 LEU HN 70 ILE QG1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1111,1112,
 &end
#
# 69 LEU QD1 127 ASN HD22 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1091,1092,1093,
 &end
#
# 69 LEU HN 125 Y2P HD 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
 igr2=2003,2010,
 &end
#
# 69 LEU HN 125 Y2P HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2005,2008,
 &end
#
# 69 LEU HN 125 Y2P HB2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1082,1999, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 69 LEU HN 126 VAL HB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1082,2023, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 69 LEU QB 69 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1086,1087,
 &end
#
# 69 LEU QB 69 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1086,1087,
 igr2=1091,1092,1093,
 &end
#
# 69 LEU QB 69 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1086,1087,
 igr2=1095,1096,1097,
 &end
#
# 69 LEU QD1 70 ILE QG1 1.80 7.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1=1091,1092,1093,
 igr2=1111,1112,
 &end
#
# 69 LEU QD1 125 Y2P HE 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1091,1092,1093,
 igr2=2005,2008,
 &end
#
# 69 LEU QD1 125 Y2P HE 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1091,1092,1093,
 igr2=2005,2008,
 &end
#
# 69 LEU QB 125 Y2P HD 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1086,1087,
 igr2=2003,2010,
 &end
#
# 69 LEU QD1 125 Y2P HE 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1091,1092,1093,
 igr2=2005,2008,
 &end
#
# 69 LEU QD2 125 Y2P HE 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1095,1096,1097,
 igr2=2005,2008,
 &end
#
# 70 ILE HN 127 ASN HD22 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1101,2045, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 70 ILE QG2 128 GLN HE22 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1107,1108,1109,
 &end
#
# 70 ILE QD1 128 GLN HE22 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1114,1115,1116,
 &end
#
# 70 ILE QD1 126 VAL HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1114,1115,1116,
 &end
#
# 70 ILE QG1 126 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1111,1112,
 &end
#
# 70 ILE QG1 125 Y2P HD 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1111,1112,
 igr2=2003,2010,
 &end
#
# 70 ILE QD1 127 ASN HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2035, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1114,1115,1116,
 &end
#
# 70 ILE QG1 127 ASN HD22 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1111,1112,
 &end
#
# 70 ILE QG2 127 ASN HD22 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1107,1108,1109,
 &end
#
# 70 ILE QD1 127 ASN HD22 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1114,1115,1116,
 &end
#
# 70 ILE QG2 128 GLN HE22 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1107,1108,1109,
 &end
#
# 70 ILE QG1 128 GLN HE22 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1111,1112,
 &end
#
# 70 ILE QG1 130 ASP HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1111,1112,
 &end
#
# 70 ILE QD1 130 ASP HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1114,1115,1116,
 &end
#
# 71 LEU QB 80 TYR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1124,1125,
 &end
#
# 71 LEU QD1 81 PHE HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1129,1130,1131,
 &end
#
# 71 LEU HN 81 PHE HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1283, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 71 LEU QQD 127 ASN HD22 1.80 7.20
 &rst
  ixpk= 0, nxpk= 0, iat=1126,2045, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 71 LEU QD2 128 GLN HE22 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1133,1134,1135,
 &end
#
# 73 SER HN 73 SER HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1155, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 73 SER HN 73 SER QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1157,1158,
 &end
#
# 73 SER HN 79 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 73 SER HN 74 GLU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1164, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 73 SER HA 74 GLU HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73 SER QB 79 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1157,1158,
 &end
#
# 73 SER HA 79 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 73 SER HA 80 TYR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 73 SER HN 80 TYR HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1260, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 73 SER QB 79 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1157,1158,
 &end
#
# 74 GLU HN 74 GLU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1166, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 74 GLU HN 74 GLU QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1168,1169,
 &end
#
# 74 GLU HN 74 GLU QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1171,1172,
 &end
#
# 74 GLU HN 75 GLU- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1180, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 74 GLU HN 80 TYR HD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1268,1277,
 &end
#
# 74 GLU HN 79 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 74 GLU HN 77 GLY HA2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1212, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 74 GLU QG 75 GLU- HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1171,1172,
 &end
#
# 74 GLU HA 75 GLU- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1180, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 74 GLU HA 76 GLU- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 74 GLU QG 76 GLU- HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1171,1172,
 &end
#
# 74 GLU QB 76 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1168,1169,
 &end
#
# 74 GLU HA 77 GLY HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 74 GLU QB 77 GLY HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1168,1169,
 &end
#
# 74 GLU QB 76 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1168,1169,
 &end
#
# 74 GLU QB 75 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1168,1169,
 &end
#
# 74 GLU QB 75 GLU- HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1168,1169,
 &end
#
# 74 GLU QB 75 GLU- QG 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1168,1169,
 igr2=1187,1188,
 &end
#
# 74 GLU QB 76 GLU- QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1168,1169,
 igr2=1202,1203,
 &end
#
# 74 GLU QB 76 GLU- QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1168,1169,
 igr2=1199,1200,
 &end
#
# 74 GLU HN 79 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 75 GLU- QG 75 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1187,1188,
 &end
#
# 75 GLU- HA 75 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1180, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 75 GLU- HN 76 GLU- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 75 GLU- QG 76 GLU- HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1187,1188,
 &end
#
# 75 GLU- HA 77 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1210, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 75 GLU- HN 75 GLU- HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1182, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 76 GLU- HA 76 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 76 GLU- QG 76 GLU- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1202,1203,
 &end
#
# 76 GLU- QB 76 GLU- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1199,1200,
 &end
#
# 76 GLU- QG 77 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1202,1203,
 &end
#
# 76 GLU- QB 77 GLY HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1199,1200,
 &end
#
# 76 GLU- HN 77 GLY HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 76 GLU- QB 76 GLU- QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1199,1200,
 igr2=1202,1203,
 &end
#
# 76 GLU- QB 76 GLU- HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1199,1200,
 &end
#
# 76 GLU- HN 76 GLU- HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1195,1197, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 76 GLU- QG 77 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1202,1203,
 &end
#
# 76 GLU- HA 77 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 76 GLU- QG 89 ARG+ QD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1202,1203,
 igr2=1401,1402,
 &end
#
# 77 GLY HA2 77 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1210, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 77 GLY HA3 77 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1210, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 GLY HN 78 ARG+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 77 GLY HN 89 ARG+ QD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=1210,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1401,1402,
 &end
#
# 77 GLY HN 78 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 77 GLY HA2 78 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1217, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 GLY HA3 78 ARG+ HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 77 GLY HA2 77 GLY HA3 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1213, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 77 GLY HA2 77 GLY HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1210, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 77 GLY HA3 77 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1210, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 77 GLY HA2 78 ARG+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 77 GLY HA3 78 ARG+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 77 GLY HN 78 ARG+ HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 77 GLY HA3 90 PHE HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 78 ARG+ HN 78 ARG+ QD 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1227,1228,
 &end
#
# 78 ARG+ HN 78 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1219, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 78 ARG+ HN 90 PHE QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1419,1420,
 &end
#
# 78 ARG+ HN 90 PHE HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1417, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 78 ARG+ HN 91 THR HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1435, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 78 ARG+ HN 79 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 78 ARG+ HA 79 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 78 ARG+ QB 79 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1221,1222,
 &end
#
# 78 ARG+ QG 79 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1224,1225,
 &end
#
# 78 ARG+ HN 79 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1241, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 78 ARG+ HE 90 PHE HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1230,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 78 ARG+ QG 91 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1224,1225,
 &end
#
# 78 ARG+ QB 91 THR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1221,1222,
 &end
#
# 78 ARG+ HA 78 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1221,1222,
 &end
#
# 78 ARG+ HA 78 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1224,1225,
 &end
#
# 78 ARG+ HA 78 ARG+ QD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1227,1228,
 &end
#
# 78 ARG+ HA 78 ARG+ HE 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1230, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 78 ARG+ HA 78 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1217, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 78 ARG+ QD 78 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1227,1228,
 igr2=1224,1225,
 &end
#
# 78 ARG+ QD 78 ARG+ QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1227,1228,
 igr2=1221,1222,
 &end
#
# 78 ARG+ QD 78 ARG+ HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1230, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1227,1228,
 &end
#
# 78 ARG+ HN 78 ARG+ QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1221,1222,
 &end
#
# 78 ARG+ HN 78 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1224,1225,
 &end
#
# 78 ARG+ HA 79 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 78 ARG+ HA 80 TYR HD 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1268,1277,
 &end
#
# 78 ARG+ QB 79 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1221,1222,
 &end
#
# 78 ARG+ QG 90 PHE HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1224,1225,
 &end
#
# 78 ARG+ QB 79 LEU HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1221,1222,
 &end
#
# 78 ARG+ HA 79 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1243, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 78 ARG+ QG 90 PHE HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1224,1225,
 &end
#
# 78 ARG+ HN 90 PHE QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1419,1420,
 &end
#
# 79 LEU HN 79 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1243, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 LEU HN 79 LEU QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1241,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1245,1246,
 &end
#
# 79 LEU HN 79 LEU HG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 79 LEU HN 79 LEU QQD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1247, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 79 LEU HN 91 THR HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1437, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 79 LEU HN 91 THR HB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1439, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 79 LEU HN 90 PHE HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1417, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 LEU QQD 80 TYR HN 1.80 7.70
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1260, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
# 79 LEU HG 80 TYR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1260, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 79 LEU HA 80 TYR HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 79 LEU QB 81 PHE HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1245,1246,
 &end
#
# 79 LEU QB 90 PHE HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1245,1246,
 &end
#
# 79 LEU HN 91 THR HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1435, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 79 LEU QB 92 ASP- HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1245,1246,
 &end
#
# 79 LEU HN 92 ASP- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 79 LEU QQD 79 LEU HA 1.80 6.20
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1243, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 79 LEU QB 79 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1245,1246,
 &end
#
# 79 LEU HN 79 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1243, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 79 LEU QB 79 LEU QQD 1.80 7.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr1=1245,1246,
 &end
#
# 79 LEU QB 79 LEU HG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1245,1246,
 &end
#
# 79 LEU QB 79 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1245,1246,
 &end
#
# 79 LEU QQD 79 LEU HG 1.80 5.70
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1248, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 79 LEU HN 79 LEU HG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1248, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 79 LEU HN 79 LEU QQD 1.80 7.70
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1247, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
# 79 LEU HA 80 TYR HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 79 LEU HA 91 THR HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1437, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 79 LEU QB 80 TYR HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1245,1246,
 &end
#
# 80 TYR HB2 80 TYR HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1260, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 80 TYR HB3 80 TYR HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1260, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 80 TYR HA 80 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 80 TYR HD 80 TYR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1268,1277,
 &end
#
# 80 TYR HN 81 PHE HD 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1289,1297,
 &end
#
# 80 TYR HA 81 PHE HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1281, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 80 TYR HB2 81 PHE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1281, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 80 TYR HB3 81 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1281, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 80 TYR HA 80 TYR HB2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1264, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 80 TYR HA 80 TYR HB3 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1265, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 80 TYR HA 80 TYR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 80 TYR HB2 80 TYR HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1260, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 80 TYR HB2 80 TYR HD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1268,1277,
 &end
#
# 80 TYR HA 89 ARG+ QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1395,1396,
 &end
#
# 80 TYR HB2 81 PHE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1281, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 80 TYR HA 89 ARG+ HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1393, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 81 PHE HA 81 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 81 PHE QB 81 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1285,1286,
 &end
#
# 81 PHE HE 81 PHE HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1291,1295,
 &end
#
# 81 PHE QB 83 MET HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1285,1286,
 &end
#
# 81 PHE HA 89 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1283,1391, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 81 PHE HN 89 ARG+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1395,1396,
 &end
#
# 81 PHE HN 88 THR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 81 PHE HN 90 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 81 PHE HD 90 PHE HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1289,1297,
 &end
#
# 81 PHE HA 81 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 81 PHE HD 81 PHE QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1289,1297,
 igr2=1285,1286,
 &end
#
# 81 PHE HN 81 PHE QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1285,1286,
 &end
#
# 81 PHE HA 127 ASN HB3 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1283,2040, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 81 PHE HA 127 ASN HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1283,2037, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 81 PHE QB 126 VAL QQG 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1285,1286,
 &end
#
# 81 PHE QB 82 SER HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1285,1286,
 &end
#
# 81 PHE HN 82 SER HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1281,1301, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 82 SER HN 127 ASN HD21 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1301,2044, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 82 SER HN 127 ASN HD22 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1301,2045, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 82 SER HB2 83 MET HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1305,1312, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 82 SER HB3 83 MET HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 82 SER HA 83 MET HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 82 SER HA 86 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1353, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 82 SER HA 87 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1360, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 82 SER HA 88 THR HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1377, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 82 SER HA 82 SER HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1301, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 82 SER HA 87 GLN HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 83 MET HN 83 MET QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1319,1320,
 &end
#
# 83 MET HN 83 MET QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1316,1317,
 &end
#
# 83 MET HN 83 MET HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1314, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 MET HN 126 VAL QQG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1312,2022, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 83 MET HN 127 ASN HB2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1312,2039, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 83 MET HN 127 ASN HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1312,2037, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 MET HN 86 GLY QA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1355,1356,
 &end
#
# 83 MET HN 84 ASP- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 83 MET QG 84 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1319,1320,
 &end
#
# 83 MET QB 84 ASP- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1316,1317,
 &end
#
# 83 MET HA 84 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1329, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 MET QG 85 ASP- HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1319,1320,
 &end
#
# 83 MET QB 85 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1316,1317,
 &end
#
# 83 MET HA 85 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1341, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 83 MET HA 83 MET HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1312, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 83 MET QG 83 MET HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1319,1320,
 &end
#
# 83 MET HA 126 VAL HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1314,2023, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 83 MET HA 84 ASP- HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1331, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 83 MET QG 107 LEU QD1 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1319,1320,
 igr2=1713,1714,1715,
 &end
#
# 83 MET QG 107 LEU HG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1319,1320,
 &end
#
# 83 MET QG 84 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1319,1320,
 &end
#
# 83 MET HA 84 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1329, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 83 MET HN 84 ASP- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1329, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 83 MET QG 84 ASP- QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1319,1320,
 igr2=1333,1334,
 &end
#
# 84 ASP- QB 84 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1333,1334,
 &end
#
# 84 ASP- HA 84 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1329, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 84 ASP- HN 107 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1713,1714,1715,
 &end
#
# 84 ASP- HN 126 VAL QQG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1329,2022, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 84 ASP- HN 107 LEU HG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1711, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 84 ASP- QB 85 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1333,1334,
 &end
#
# 84 ASP- HA 85 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 84 ASP- HN 85 ASP- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1341, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 84 ASP- HA 86 GLY HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 84 ASP- HN 84 ASP- HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1331, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 84 ASP- QB 84 ASP- HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1333,1334,
 &end
#
# 84 ASP- HN 107 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1713,1714,1715,
 &end
#
# 84 ASP- HN 126 VAL QQG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1329,2022, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 84 ASP- HN 86 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1353, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 84 ASP- HA 85 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 84 ASP- HA 86 GLY HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 84 ASP- HA 107 LEU HG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1711, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 84 ASP- QB 107 LEU QD2 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1333,1334,
 igr2=1717,1718,1719,
 &end
#
# 84 ASP- QB 107 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1333,1334,
 igr2=1713,1714,1715,
 &end
#
# 84 ASP- QB 107 LEU QB 1.80 7.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1333,1334,
 igr2=1708,1709,
 &end
#
# 84 ASP- QB 85 ASP- QB 1.80 7.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
 igr1=1333,1334,
 igr2=1345,1346,
 &end
#
# 85 ASP- QB 85 ASP- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1345,1346,
 &end
#
# 85 ASP- HA 85 ASP- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1341, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 85 ASP- HN 107 LEU HG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1711, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 85 ASP- HN 107 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 85 ASP- HN 86 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 85 ASP- HA 86 GLY HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1343,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 85 ASP- HN 85 ASP- QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1345,1346,
 &end
#
# 85 ASP- HN 107 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1341,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 85 ASP- QB 86 GLY HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1345,1346,
 &end
#
# 86 GLY HN 86 GLY QA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1355,1356,
 &end
#
# 86 GLY HN 87 GLN HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1362, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 86 GLY HN 87 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 86 GLY QA 87 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1360, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1355,1356,
 &end
#
# 86 GLY QA 88 THR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1355,1356,
 &end
#
# 86 GLY QA 87 GLN HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1355,1356,
 &end
#
# 87 GLN HE22 87 GLN QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1364,1365,
 &end
#
# 87 GLN HE21 87 GLN QB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2=1364,1365,
 &end
#
# 87 GLN HE22 87 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1367,1368,
 &end
#
# 87 GLN HE21 87 GLN QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1367,1368,
 &end
#
# 87 GLN HA 87 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1360, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 87 GLN HN 88 THR HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1379, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 87 GLN HN 88 THR HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1377, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 87 GLN HN 87 GLN QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1364,1365,
 &end
#
# 87 GLN HN 87 GLN QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1360,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1367,1368,
 &end
#
# 87 GLN HN 87 GLN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1362, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 87 GLN QB 87 GLN HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1364,1365,
 &end
#
# 87 GLN QG 87 GLN HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1367,1368,
 &end
#
# 87 GLN QG 87 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1367,1368,
 igr2=1364,1365,
 &end
#
# 87 GLN QG 87 GLN HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1367,1368,
 &end
#
# 87 GLN QG 87 GLN HE22 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1367,1368,
 &end
#
# 87 GLN QG 88 THR QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1367,1368,
 igr2=1383,1384,1385,
 &end
#
# 87 GLN QG 88 THR HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1367,1368,
 &end
#
# 88 THR QG2 88 THR HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1383,1384,1385,
 &end
#
# 88 THR HB 88 THR HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1377, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 88 THR HA 88 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1377, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 88 THR HB 89 ARG+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1391, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 88 THR HA 89 ARG+ HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88 THR HN 89 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1377,1391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 88 THR HA 90 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1415, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 88 THR HB 90 PHE HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1415, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 89 ARG+ QB 89 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1395,1396,
 &end
#
# 89 ARG+ HA 89 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1391, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 89 ARG+ QB 90 PHE HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1395,1396,
 &end
#
# 89 ARG+ HA 89 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1391, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 89 ARG+ HA 89 ARG+ QD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1401,1402,
 &end
#
# 89 ARG+ QB 89 ARG+ QD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1395,1396,
 igr2=1401,1402,
 &end
#
# 89 ARG+ QD 89 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1401,1402,
 &end
#
# 89 ARG+ HA 90 PHE HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 89 ARG+ HN 90 PHE QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1419,1420,
 &end
#
# 90 PHE HA 90 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1415, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 90 PHE QB 90 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1419,1420,
 &end
#
# 90 PHE HN 91 THR HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1435, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 90 PHE HA 91 THR HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 90 PHE HA 90 PHE QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1419,1420,
 &end
#
# 90 PHE HN 91 THR HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1437, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 91 THR HA 91 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 91 THR HB 91 THR HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1435, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 91 THR HA 92 ASP- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1449, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 91 THR HB 92 ASP- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1449, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 91 THR HN 92 ASP- HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1435,1449, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 91 THR HB 94 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1439,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 91 THR HA 91 THR HB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 92 ASP- HA 92 ASP- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1449, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 92 ASP- QB 92 ASP- HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1453,1454,
 &end
#
# 92 ASP- HN 93 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 92 ASP- HN 93 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1465,1466,
 &end
#
# 92 ASP- HN 93 LEU HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 92 ASP- HA 93 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 92 ASP- QB 93 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1453,1454,
 &end
#
# 92 ASP- HA 94 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 92 ASP- HA 95 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 92 ASP- HN 92 ASP- QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1453,1454,
 &end
#
# 92 ASP- HN 92 ASP- HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1451, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 92 ASP- QB 92 ASP- HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1453,1454,
 &end
#
# 92 ASP- HN 93 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1465,1466,
 &end
#
# 92 ASP- HA 93 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 92 ASP- QB 93 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1453,1454,
 &end
#
# 92 ASP- HA 94 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 92 ASP- HA 95 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1451,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 93 LEU HA 93 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1461, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 93 LEU QB 93 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1465,1466,
 &end
#
# 93 LEU HG 93 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1461, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 93 LEU QQD 93 LEU HN 1.80 8.20
 &rst
  ixpk= 0, nxpk= 0, iat=1467,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,  &end
#
# 93 LEU HA 94 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1480, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 93 LEU QB 94 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1465,1466,
 &end
#
# 93 LEU HG 94 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 93 LEU QB 95 GLN HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1465,1466,
 &end
#
# 93 LEU HA 96 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1516, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 93 LEU HA 97 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1535, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 93 LEU HG 93 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1461, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 93 LEU HA 93 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1461, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 93 LEU HG 93 LEU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1465,1466,
 &end
#
# 93 LEU HA 93 LEU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1465,1466,
 &end
#
# 93 LEU HN 93 LEU QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1465,1466,
 &end
#
# 93 LEU HA 95 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1499, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 93 LEU HA 96 LEU QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1520,1521,
 &end
#
# 93 LEU QB 94 LEU HA 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1465,1466,
 &end
#
# 93 LEU HG 94 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 93 LEU QB 94 LEU QD2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1465,1466,
 igr2=1493,1494,1495,
 &end
#
# 93 LEU QB 95 GLN HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1465,1466,
 &end
#
# 93 LEU HA 96 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1525,1526,1527,
 &end
#
# 93 LEU HG 97 VAL QG2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1545,1546,1547,
 &end
#
# 94 LEU HA 94 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1480, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 94 LEU QB 94 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1484,1485,
 &end
#
# 94 LEU QD1 94 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1489,1490,1491,
 &end
#
# 94 LEU QD2 94 LEU HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1493,1494,1495,
 &end
#
# 94 LEU HN 96 LEU QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1520,1521,
 &end
#
# 94 LEU HN 97 VAL QG2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1545,1546,1547,
 &end
#
# 94 LEU HN 95 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1499, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 94 LEU HN 97 VAL HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1535, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 94 LEU HA 95 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 94 LEU QB 95 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1484,1485,
 &end
#
# 94 LEU HG 95 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1499, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 94 LEU HA 97 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1535, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 94 LEU QB 94 LEU HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1482, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1484,1485,
 &end
#
# 94 LEU HN 94 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1480,1482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 94 LEU HG 94 LEU HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 94 LEU QD1 94 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1489,1490,1491,
 &end
#
# 94 LEU HG 94 LEU QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1487,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1484,1485,
 &end
#
# 94 LEU HG 94 LEU QD1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1487,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1489,1490,1491,
 &end
#
# 94 LEU QB 94 LEU QD1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1484,1485,
 igr2=1489,1490,1491,
 &end
#
# 94 LEU QB 94 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1484,1485,
 igr2=1493,1494,1495,
 &end
#
# 94 LEU HG 94 LEU QD2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1487,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1493,1494,1495,
 &end
#
# 94 LEU HA 97 VAL HB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1539, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 94 LEU HA 95 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1482,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 94 LEU HG 95 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1499, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 94 LEU QB 95 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1484,1485,
 &end
#
# 94 LEU QB 97 VAL HB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1484,1485,
 &end
#
# 94 LEU QD2 97 VAL HB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1539, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1493,1494,1495,
 &end
#
# 95 GLN HE21 95 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 95 GLN HA 95 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1501,1499, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 95 GLN HG3 95 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 95 GLN HG2 95 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 95 GLN HB2 95 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 95 GLN HB3 95 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 95 GLN HN 97 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1499,1535, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 95 GLN HN 96 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1499,1516, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 95 GLN HB3 96 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 95 GLN HG2 96 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1516, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 95 GLN HA 96 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1501,1516, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 95 GLN HA 97 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1501,1535, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 95 GLN HA 98 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1501,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 95 GLN HA 99 PHE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1501,1566, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 95 GLN HB2 95 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 95 GLN HB3 95 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1499, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 95 GLN HG3 95 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 95 GLN HG2 95 GLN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1499, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 95 GLN HE21 95 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1511,1499, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 95 GLN HB2 95 GLN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1501, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 95 GLN HB3 95 GLN HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1504,1501, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 95 GLN HA 98 GLU- QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1555,1556,
 &end
#
# 96 LEU HN 96 LEU QD2 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=1516,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1529,1530,1531,
 &end
#
# 96 LEU HN 96 LEU HG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1523, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 96 LEU HN 96 LEU QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1516,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1520,1521,
 &end
#
# 96 LEU HA 96 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1516, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 96 LEU HN 97 VAL QG2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=1516,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1545,1546,1547,
 &end
#
# 96 LEU HN 97 VAL HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 96 LEU HN 97 VAL HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1535, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 96 LEU QD2 97 VAL HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1535, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1529,1530,1531,
 &end
#
# 96 LEU HG 97 VAL HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1523,1535, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 96 LEU QB 97 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1535, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1520,1521,
 &end
#
# 96 LEU HA 97 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1535, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 96 LEU HA 98 GLU- HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1551, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 96 LEU HA 99 PHE HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1518,1566, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 96 LEU HN 99 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 96 LEU HA 96 LEU QD2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1518,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1529,1530,1531,
 &end
#
# 96 LEU QB 96 LEU HG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1520,1521,
 &end
#
# 96 LEU QD1 96 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1525,1526,1527,
 &end
#
# 96 LEU QD2 96 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1529,1530,1531,
 &end
#
# 96 LEU QB 96 LEU QD1 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1520,1521,
 igr2=1525,1526,1527,
 &end
#
# 96 LEU QB 96 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1520,1521,
 igr2=1529,1530,1531,
 &end
#
# 96 LEU QD2 97 VAL HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1535, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1529,1530,1531,
 &end
#
# 96 LEU QD2 100 HIS+ QB 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1529,1530,1531,
 igr2=1590,1591,
 &end
#
# 96 LEU QD2 97 VAL HA 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1537, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1529,1530,1531,
 &end
#
# 96 LEU HN 97 VAL HB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1516,1539, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 96 LEU QB 97 VAL QG2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1520,1521,
 igr2=1545,1546,1547,
 &end
#
# 97 VAL QG2 97 VAL HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1535, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1545,1546,1547,
 &end
#
# 97 VAL QG1 97 VAL HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1535, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1541,1542,1543,
 &end
#
# 97 VAL HB 97 VAL HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1535, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 97 VAL HA 97 VAL HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1535, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 97 VAL HN 100 HIS+ QB 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=1535,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2=1590,1591,
 &end
#
# 97 VAL HN 99 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1535,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 97 VAL HN 98 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1535,1551, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 97 VAL HA 98 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 97 VAL HB 98 GLU- HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 97 VAL QG1 98 GLU- HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1541,1542,1543,
 &end
#
# 97 VAL HB 99 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 97 VAL HN 97 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1535,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1545,1546,1547,
 &end
#
# 97 VAL HB 97 VAL QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1539,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1545,1546,1547,
 &end
#
# 97 VAL QG1 97 VAL QG2 1.80 6.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1541,1542,1543,
 igr2=1545,1546,1547,
 &end
#
# 97 VAL HB 97 VAL QG1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1539,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1541,1542,1543,
 &end
#
# 97 VAL HA 98 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1537,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 97 VAL HB 98 GLU- QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1555,1556,
 &end
#
# 97 VAL QG1 98 GLU- QB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1541,1542,1543,
 igr2=1555,1556,
 &end
#
# 97 VAL HB 98 GLU- HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1539,1553, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 98 GLU- HA 98 GLU- HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1551, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 98 GLU- QG 98 GLU- HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1558,1559,
 &end
#
# 98 GLU- QB 98 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1555,1556,
 &end
#
# 98 GLU- HA 99 PHE HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1566, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 98 GLU- HN 99 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1551,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 98 GLU- QB 99 PHE HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1555,1556,
 &end
#
# 98 GLU- QG 99 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1558,1559,
 &end
#
# 98 GLU- HA 101 GLN HE21 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 98 GLU- HN 98 GLU- QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1551,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1558,1559,
 &end
#
# 98 GLU- QB 98 GLU- QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1555,1556,
 igr2=1558,1559,
 &end
#
# 98 GLU- QG 99 PHE HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1568, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1558,1559,
 &end
#
# 99 PHE HA 99 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 99 PHE QB 99 PHE HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1570,1571,
 &end
#
# 99 PHE QB 101 GLN HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1570,1571,
 &end
#
# 99 PHE HA 101 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1604, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 99 PHE HA 101 GLN HE21 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1616, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 99 PHE QB 102 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1570,1571,
 &end
#
# 99 PHE HA 102 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 99 PHE HA 103 ASN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1640, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 99 PHE QB 103 ASN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1570,1571,
 &end
#
# 99 PHE QB 104 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1570,1571,
 &end
#
# 99 PHE HA 99 PHE HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1566, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 99 PHE HA 101 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1604, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 99 PHE HA 102 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1568,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 99 PHE QB 101 GLN HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1570,1571,
 &end
#
# 100 HIS+ QB 101 GLN HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1590,1591,
 &end
#
# 101 GLN QB 101 GLN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1608,1609,
 &end
#
# 101 GLN QG 101 GLN HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1611,1612,
 &end
#
# 101 GLN HA 101 GLN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 101 GLN HE22 101 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1608,1609,
 &end
#
# 101 GLN HE22 101 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1611,1612,
 &end
#
# 101 GLN HE21 101 GLN QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1608,1609,
 &end
#
# 101 GLN HE21 101 GLN QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1611,1612,
 &end
#
# 101 GLN HN 102 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 101 GLN QG 102 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1611,1612,
 &end
#
# 101 GLN HA 102 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1621, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 101 GLN HE21 102 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1621, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 101 GLN HN 103 ASN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1640, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 101 GLN QG 103 ASN HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1611,1612,
 &end
#
# 101 GLN HN 101 GLN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1606, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 101 GLN QB 101 GLN HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1608,1609,
 &end
#
# 101 GLN QB 101 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1608,1609,
 igr2=1611,1612,
 &end
#
# 101 GLN QB 101 GLN HE22 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1608,1609,
 &end
#
# 101 GLN HN 102 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1604,1621, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 101 GLN QG 102 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1611,1612,
 &end
#
# 101 GLN QG 102 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1611,1612,
 igr2=1634,1635,1636,
 &end
#
# 102 LEU QD2 102 LEU HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1634,1635,1636,
 &end
#
# 102 LEU HG 102 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1621, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 102 LEU QB 102 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1625,1626,
 &end
#
# 102 LEU HA 102 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1623,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 102 LEU HN 103 ASN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 102 LEU HA 103 ASN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1623,1640, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 102 LEU QB 103 ASN HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1625,1626,
 &end
#
# 102 LEU HA 102 LEU QD1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1630,1631,1632,
 &end
#
# 102 LEU HG 102 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1628,1621, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 102 LEU QB 102 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1625,1626,
 &end
#
# 102 LEU HA 102 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1623,1621, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 102 LEU HA 102 LEU HG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1623,1628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 102 LEU QD1 102 LEU HG 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1630,1631,1632,
 &end
#
# 102 LEU QB 102 LEU HG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1625,1626,
 &end
#
# 102 LEU QD1 102 LEU QD2 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1630,1631,1632,
 igr2=1634,1635,1636,
 &end
#
# 102 LEU QD2 102 LEU HG 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1634,1635,1636,
 &end
#
# 102 LEU HN 103 ASN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 102 LEU HN 103 ASN HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1642, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 102 LEU HA 111 LEU QD2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1780,1781,1782,
 &end
#
# 102 LEU HA 112 ARG+ QB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1790,1791,
 &end
#
# 102 LEU QD2 112 ARG+ QB 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1634,1635,1636,
 igr2=1790,1791,
 &end
#
# 102 LEU QB 103 ASN HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1625,1626,
 &end
#
# 102 LEU HA 112 ARG+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1623,1788, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 103 ASN HA 103 ASN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 103 ASN HB3 103 ASN HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 103 ASN HB2 103 ASN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1640, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 103 ASN HN 105 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 103 ASN HN 104 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1654, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 103 ASN HN 112 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1788, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 103 ASN HN 112 ARG+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1790,1791,
 &end
#
# 103 ASN HN 111 LEU QD2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1780,1781,1782,
 &end
#
# 103 ASN HB2 104 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1654, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 103 ASN HB3 104 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1645,1654, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 103 ASN HB2 105 GLY HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1678, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 103 ASN HB2 103 ASN HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 103 ASN HN 111 LEU QD2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1780,1781,1782,
 &end
#
# 103 ASN HN 112 ARG+ QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1790,1791,
 &end
#
# 104 ARG+ HN 104 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1654,1656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 104 ARG+ HN 104 ARG+ QD 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1654,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr2=1664,1665,
 &end
#
# 104 ARG+ HN 104 ARG+ QG 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1654,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1661,1662,
 &end
#
# 104 ARG+ HN 104 ARG+ QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1654,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1658,1659,
 &end
#
# 104 ARG+ HN 104 ARG+ HE 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1654,1667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 104 ARG+ QG 105 GLY HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1661,1662,
 &end
#
# 104 ARG+ QB 105 GLY HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1658,1659,
 &end
#
# 104 ARG+ HN 105 GLY HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1654,1678, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 104 ARG+ HN 104 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1654,1656, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 104 ARG+ QB 104 ARG+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1658,1659,
 &end
#
# 104 ARG+ QG 104 ARG+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1661,1662,
 &end
#
# 104 ARG+ QB 104 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1658,1659,
 &end
#
# 104 ARG+ QB 104 ARG+ QD 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1658,1659,
 igr2=1664,1665,
 &end
#
# 104 ARG+ HA 111 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1780,1781,1782,
 &end
#
# 105 GLY QA 105 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1678, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1680,1681,
 &end
#
# 105 GLY HN 111 LEU QD2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1678,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1780,1781,1782,
 &end
#
# 105 GLY QA 111 LEU HN 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1680,1681,
 &end
#
# 105 GLY QA 106 ILE QG2 1.80 7.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1680,1681,
 igr2=1691,1692,1693,
 &end
#
# 105 GLY HN 111 LEU QD2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1678,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1780,1781,1782,
 &end
#
# 106 ILE HN 106 ILE HB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1689, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 106 ILE HN 106 ILE QG2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1691,1692,1693,
 &end
#
# 106 ILE HN 106 ILE HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1685,1687, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 106 ILE HN 111 LEU QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1771,1772,
 &end
#
# 106 ILE QG2 107 LEU HN 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1691,1692,1693,
 &end
#
# 106 ILE HA 106 ILE QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1691,1692,1693,
 &end
#
# 106 ILE HA 106 ILE HB 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1689, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 106 ILE HA 106 ILE QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1687,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1691,1692,1693,
 &end
#
# 106 ILE HA 107 LEU HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1706, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 107 LEU HA 107 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1706,1704, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 LEU QB 107 LEU HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1708,1709,
 &end
#
# 107 LEU HG 107 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1711,1704, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 LEU QD1 107 LEU HN 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1713,1714,1715,
 &end
#
# 107 LEU QD2 107 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1717,1718,1719,
 &end
#
# 107 LEU QD2 107 LEU HA 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1717,1718,1719,
 &end
#
# 107 LEU QD1 107 LEU HA 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1713,1714,1715,
 &end
#
# 107 LEU HG 107 LEU HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1711,1706, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107 LEU QB 107 LEU HA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1708,1709,
 &end
#
# 107 LEU HN 107 LEU QD2 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1717,1718,1719,
 &end
#
# 107 LEU HA 107 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1717,1718,1719,
 &end
#
# 107 LEU QD2 107 LEU QB 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1717,1718,1719,
 igr2=1708,1709,
 &end
#
# 107 LEU QD1 107 LEU QB 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1713,1714,1715,
 igr2=1708,1709,
 &end
#
# 107 LEU HN 126 VAL QQG 1.80 6.80
 &rst
  ixpk= 0, nxpk= 0, iat=1704,2022, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
# 109 CYS HN 109 CYS HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1739, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYS HN 109 CYS HB2 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1741, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 109 CYS HN 109 CYS HB3 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1737,1742, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYS HA 110 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1739,1748, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 109 CYS HB2 110 LEU HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1741,1748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 109 CYS HB3 110 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1748, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109 CYS HB2 110 LEU QD2 1.80 5.60
 &rst
  ixpk= 0, nxpk= 0, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1761,1762,1763,
 &end
#
# 110 LEU HA 110 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110 LEU QB 110 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1752,1753,
 &end
#
# 110 LEU HG 110 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1755,1748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 110 LEU QD1 110 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1757,1758,1759,
 &end
#
# 110 LEU QD2 110 LEU HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1761,1762,1763,
 &end
#
# 110 LEU HN 111 LEU QD1 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=1748,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr2=1776,1777,1778,
 &end
#
# 110 LEU HN 111 LEU HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1767, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 110 LEU QD1 111 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1757,1758,1759,
 &end
#
# 110 LEU HG 111 LEU HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1755,1767, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 110 LEU QB 111 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1752,1753,
 &end
#
# 110 LEU HA 111 LEU HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1750,1767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 110 LEU QB 112 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1752,1753,
 &end
#
# 110 LEU QD1 110 LEU QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1757,1758,1759,
 igr2=1752,1753,
 &end
#
# 110 LEU QD2 110 LEU QB 1.80 6.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1761,1762,1763,
 igr2=1752,1753,
 &end
#
# 110 LEU QD1 110 LEU HA 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1757,1758,1759,
 &end
#
# 110 LEU QD1 110 LEU HN 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1757,1758,1759,
 &end
#
# 110 LEU HA 111 LEU QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1771,1772,
 &end
#
# 110 LEU QB 111 LEU HA 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1752,1753,
 &end
#
# 111 LEU QD2 111 LEU HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1780,1781,1782,
 &end
#
# 111 LEU QD1 111 LEU HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1776,1777,1778,
 &end
#
# 111 LEU HG 111 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1774,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 111 LEU QB 111 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1771,1772,
 &end
#
# 111 LEU HA 111 LEU HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1767, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 111 LEU HG 111 LEU QD1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1776,1777,1778,
 &end
#
# 111 LEU HG 111 LEU QD2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1774,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1780,1781,1782,
 &end
#
# 111 LEU HN 112 ARG+ QG 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1793,1794,
 &end
#
# 111 LEU HN 112 ARG+ QG 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1793,1794,
 &end
#
# 111 LEU HN 112 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 111 LEU QD1 112 ARG+ HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1776,1777,1778,
 &end
#
# 111 LEU QB 112 ARG+ HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1771,1772,
 &end
#
# 111 LEU HA 111 LEU QD1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1776,1777,1778,
 &end
#
# 111 LEU QD1 112 ARG+ QG 1.80 7.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1=1776,1777,1778,
 igr2=1793,1794,
 &end
#
# 111 LEU QD2 112 ARG+ QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1780,1781,1782,
 igr2=1790,1791,
 &end
#
# 111 LEU QD2 112 ARG+ QB 1.80 6.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1780,1781,1782,
 igr2=1790,1791,
 &end
#
# 112 ARG+ QG 112 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1=1793,1794,
 &end
#
# 112 ARG+ QB 112 ARG+ HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1790,1791,
 &end
#
# 112 ARG+ HA 112 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 112 ARG+ QG 113 HIS HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1793,1794,
 &end
#
# 112 ARG+ QB 113 HIS HN 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1790,1791,
 &end
#
# 112 ARG+ HA 112 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1790,1791,
 &end
#
# 112 ARG+ QG 112 ARG+ QB 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1793,1794,
 igr2=1790,1791,
 &end
#
# 112 ARG+ HA 112 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1790,1791,
 &end
#
# 112 ARG+ HN 112 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1790,1791,
 &end
#
# 113 HIS HA 113 HIS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1810, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 113 HIS HB2 113 HIS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1814,1810, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 113 HIS HB3 113 HIS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1815,1810, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 113 HIS HN 114 CYS HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1810,1827, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 113 HIS HA 114 CYS HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1827, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 113 HIS HB2 114 CYS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1814,1827, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 113 HIS HB3 113 HIS HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1815,1812, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 113 HIS HB3 113 HIS HB2 1.80 2.60
 &rst
  ixpk= 0, nxpk= 0, iat=1815,1814, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 113 HIS HB3 114 CYS HB2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1815,1831, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 113 HIS HA 114 CYS HB3 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1832, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 114 CYS HA 114 CYS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1827, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 114 CYS HB2 114 CYS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1827, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 114 CYS HB3 114 CYS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1832,1827, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 114 CYS HN 115 CYS HA 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1827,1840, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 114 CYS HB2 115 CYS HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 114 CYS HB3 115 CYS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1832,1838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 114 CYS HB2 114 CYS HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1829, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 114 CYS HB3 114 CYS HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1832,1829, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 114 CYS HB3 114 CYS HB2 1.80 2.60
 &rst
  ixpk= 0, nxpk= 0, iat=1832,1831, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 115 CYS HA 115 CYS HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1838, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 115 CYS HB2 115 CYS HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1842,1838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 115 CYS HB3 115 CYS HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1838, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 115 CYS HA 116 THR HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1840,1849, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 115 CYS HB3 116 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1843,1849, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 116 THR HA 116 THR HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1851,1849, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 116 THR HB 116 THR HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1849, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 116 THR HN 117 ARG+ HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1849,1863, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 116 THR HB 117 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1863, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 116 THR HA 116 THR HB 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1851,1853, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 116 THR HB 117 ARG+ HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1853,1863, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 117 ARG+ HA 117 ARG+ HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1865,1863, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 117 ARG+ QG 117 ARG+ HN 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1870,1871,
 &end
#
# 117 ARG+ QD 117 ARG+ HE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1876, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1873,1874,
 &end
#
# 117 ARG+ QG 117 ARG+ HE 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1876, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1870,1871,
 &end
#
# 117 ARG+ HN 117 ARG+ HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1863,1865, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 117 ARG+ QG 117 ARG+ HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1870,1871,
 &end
#
# 117 ARG+ QG 117 ARG+ QD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1870,1871,
 igr2=1873,1874,
 &end
#
# 117 ARG+ HE 117 ARG+ QD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1876,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1873,1874,
 &end
#
# 117 ARG+ QG 118 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1887, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1870,1871,
 &end
#
# 118 VAL HB 119 ALA HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1891,1903, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 119 ALA HA 119 ALA HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1905,1903, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 119 ALA HA 120 LEU HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1905,1913, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 119 ALA QB 120 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1913, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1907,1908,1909,
 &end
#
# 120 LEU QQD 120 LEU HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1919,1913, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 124 GLU- QG 125 Y2P HD 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1987,1988,
 igr2=2003,2010,
 &end
#
# 125 Y2P HD 126 VAL HN 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2003,2010,
 &end
#
# 125 Y2P HA 128 GLN QB 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=2053,2054,
 &end
#
# 126 VAL HN 129 PRO HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2019,2076, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 126 VAL HA 128 GLN HA 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2051, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 &end
#
# 126 VAL HB 127 ASN HD21 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2044, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  
 &end
#
# 126 VAL QQG 127 ASN HD21 1.80 6.30
 &rst
  ixpk= 0, nxpk= 0, iat=2022,2044, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 126 VAL HB 127 ASN HN 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2023,2035, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 126 VAL HA 127 ASN HD21 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 126 VAL HA 127 ASN HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2035, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 127 ASN QD2 127 ASN HB2 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2039, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=2044,2045,
 &end
#
# 127 ASN QD2 127 ASN HB3 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2040, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=2044,2045,
 &end
#
# 127 ASN HB3 128 GLN HE21 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2040,2061, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 128 GLN HE21 128 GLN QB 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=2061,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=2053,2054,
 &end
#
# 128 GLN HE21 128 GLN QG 1.80 5.80
 &rst
  ixpk= 0, nxpk= 0, iat=2061,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=2056,2057,
 &end
#
# 128 GLN HN 130 ASP HA 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2049,2082, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 128 GLN HA 129 PRO QD 1.80 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=2051,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=2067,2068,
 &end
#
# 129 PRO HA 130 ASP HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat=2076,2080, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
###
# Dihedral angle restraints
###

# 2 SER PHI:  (1 GLY C)-(2 SER N)-(2 SER CA)-(2 SER C) -150.0 -30.0
 &rst     iat =     8,    10,    12,    19,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
   rk2 =  90.0, rk3 =  90.0,    &end

# 3 PRO PHI:  (2 SER C)-(3 PRO N)-(3 PRO CA)-(3 PRO C) -150.0 -30.0
 &rst     iat =    19,    21,    31,    33,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 4 ALA PHI:  (3 PRO C)-(4 ALA N)-(4 ALA CA)-(4 ALA C) -150.0 -30.0
 &rst     iat =    33,    35,    37,    43,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 5 SER PHI:  (4 ALA C)-(5 SER N)-(5 SER CA)-(5 SER C) -150.0 -30.0
 &rst     iat =    43,    45,    47,    54,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 6 GLY PHI:  (5 SER C)-(6 GLY N)-(6 GLY CA)-(6 GLY C) -180.0 180.0
 &rst     iat =    54,    56,    58,    61,
   r1 = -210.0, r2 = -180.0, r3 = 180.0, r4 = 210.0,
 &end

# 7 THR PHI:  (6 GLY C)-(7 THR N)-(7 THR CA)-(7 THR C) -150.0 -30.0
 &rst     iat =    61,    63,    65,    75,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 8 SER PHI:  (7 THR C)-(8 SER N)-(8 SER CA)-(8 SER C) -150.0 -30.0
 &rst     iat =    75,    77,    79,    86,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 9 LEU PHI:  (8 SER C)-(9 LEU N)-(9 LEU CA)-(9 LEU C) -150.0 -30.0
 &rst     iat =    86,    88,    90,   105,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 10 SER PHI:  (9 LEU C)-(10 SER N)-(10 SER CA)-(10 SER C) -150.0 -30.0
 &rst     iat =   105,   107,   109,   116,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 11 ALA PHI:  (10 SER C)-(11 ALA N)-(11 ALA CA)-(11 ALA C) -150.0 -30.0
 &rst     iat =   116,   118,   120,   126,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 12 ALA PHI:  (11 ALA C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -150.0 -30.0
 &rst     iat =   126,   128,   130,   136,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 13 ILE PHI:  (12 ALA C)-(13 ILE N)-(13 ILE CA)-(13 ILE C) -80.0 -40.0
 &rst     iat =   136,   138,   140,   155,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 14 HIS PHI:  (13 ILE C)-(14 HIE N)-(14 HIE CA)-(14 HIE C) -150.0 -30.0
 &rst     iat =   155,   157,   159,   172,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 15 ARG PHI:  (14 HIE C)-(15 ARG N)-(15 ARG CA)-(15 ARG C) -140.0 -100.0
 &rst     iat =   172,   174,   176,   196,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 16 THR PHI:  (15 ARG C)-(16 THR N)-(16 THR CA)-(16 THR C) -140.0 -100.0
 &rst     iat =   196,   198,   200,   210,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 17 GLN PHI:  (16 THR C)-(17 GLN N)-(17 GLN CA)-(17 GLN C) -150.0 -30.0
 &rst     iat =   210,   212,   214,   227,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 18 LEU PHI:  (17 GLN C)-(18 LEU N)-(18 LEU CA)-(18 LEU C) -150.0 -30.0
 &rst     iat =   227,   229,   231,   246,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 19 TRP PHI:  (18 LEU C)-(19 TRP N)-(19 TRP CA)-(19 TRP C) -140.0 -100.0
 &rst     iat =   246,   248,   250,   270,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 20 PHE PHI:  (19 TRP C)-(20 PHE N)-(20 PHE CA)-(20 PHE C) -150.0 -30.0
 &rst     iat =   270,   272,   274,   290,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 21 HIS PHI:  (20 PHE C)-(21 HIE N)-(21 HIE CA)-(21 HIE C) -140.0 -100.0
 &rst     iat =   290,   292,   294,   307,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 22 GLY PHI:  (21 HIE C)-(22 GLY N)-(22 GLY CA)-(22 GLY C) -140.0 -100.0
 &rst     iat =   307,   309,   311,   314,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 23 ARG PHI:  (22 GLY C)-(23 ARG N)-(23 ARG CA)-(23 ARG C) -150.0 -30.0
 &rst     iat =   314,   316,   318,   338,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 24 ILE PHI:  (23 ARG C)-(24 ILE N)-(24 ILE CA)-(24 ILE C) -155.0 -35.0
 &rst     iat =   338,   340,   342,   357,
   r1 = -185.0, r2 = -155.0, r3 = -35.0, r4 = -5.0,
 &end

# 25 SER PHI:  (24 ILE C)-(25 SER N)-(25 SER CA)-(25 SER C) -155.0 -35.0
 &rst     iat =   357,   359,   361,   368,
   r1 = -185.0, r2 = -155.0, r3 = -35.0, r4 = -5.0,
 &end

# 26 ARG PHI:  (25 SER C)-(26 ARG N)-(26 ARG CA)-(26 ARG C) -150.0 -30.0
 &rst     iat =   368,   370,   372,   392,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 27 GLU PHI:  (26 ARG C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) -80.0 -40.0
 &rst     iat =   392,   394,   396,   407,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 28 GLU PHI:  (27 GLU C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -80.0 -40.0
 &rst     iat =   407,   409,   411,   422,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 29 SER PHI:  (28 GLU C)-(29 SER N)-(29 SER CA)-(29 SER C) -150.0 -30.0
 &rst     iat =   422,   424,   426,   433,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 30 GLN PHI:  (29 SER C)-(30 GLN N)-(30 GLN CA)-(30 GLN C) -80.0 -40.0
 &rst     iat =   433,   435,   437,   450,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 31 ARG PHI:  (30 GLN C)-(31 ARG N)-(31 ARG CA)-(31 ARG C) -80.0 -40.0
 &rst     iat =   450,   452,   454,   474,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 32 LEU PHI:  (31 ARG C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -150.0 -30.0
 &rst     iat =   474,   476,   478,   493,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 33 ILE PHI:  (32 LEU C)-(33 ILE N)-(33 ILE CA)-(33 ILE C) -80.0 -40.0
 &rst     iat =   493,   495,   497,   512,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 34 GLY PHI:  (33 ILE C)-(34 GLY N)-(34 GLY CA)-(34 GLY C) -140.0 -100.0
 &rst     iat =   512,   514,   516,   519,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 35 GLN PHI:  (34 GLY C)-(35 GLN N)-(35 GLN CA)-(35 GLN C) -150.0 -30.0
 &rst     iat =   519,   521,   523,   536,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 36 GLN PHI:  (35 GLN C)-(36 GLN N)-(36 GLN CA)-(36 GLN C) -150.0 -30.0
 &rst     iat =   536,   538,   540,   553,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 37 GLY PHI:  (36 GLN C)-(37 GLY N)-(37 GLY CA)-(37 GLY C) -140.0 -100.0
 &rst     iat =   553,   555,   557,   560,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 38 LEU PHI:  (37 GLY C)-(38 LEU N)-(38 LEU CA)-(38 LEU C) -80.0 -40.0
 &rst     iat =   560,   562,   564,   579,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 39 VAL PHI:  (38 LEU C)-(39 VAL N)-(39 VAL CA)-(39 VAL C) -80.0 -40.0
 &rst     iat =   579,   581,   583,   595,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 40 ASP PHI:  (39 VAL C)-(40 ASP N)-(40 ASP CA)-(40 ASP C) -150.0 -30.0
 &rst     iat =   595,   597,   599,   607,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 41 GLY PHI:  (40 ASP C)-(41 GLY N)-(41 GLY CA)-(41 GLY C) -140.0 -100.0
 &rst     iat =   607,   609,   611,   614,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 42 LEU PHI:  (41 GLY C)-(42 LEU N)-(42 LEU CA)-(42 LEU C) -140.0 -100.0
 &rst     iat =   614,   616,   618,   633,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 43 PHE PHI:  (42 LEU C)-(43 PHE N)-(43 PHE CA)-(43 PHE C) -140.0 -100.0
 &rst     iat =   633,   635,   637,   653,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 44 LEU PHI:  (43 PHE C)-(44 LEU N)-(44 LEU CA)-(44 LEU C) -140.0 -100.0
 &rst     iat =   653,   655,   657,   672,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 45 VAL PHI:  (44 LEU C)-(45 VAL N)-(45 VAL CA)-(45 VAL C) -140.0 -100.0
 &rst     iat =   672,   674,   676,   688,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 46 ARG PHI:  (45 VAL C)-(46 ARG N)-(46 ARG CA)-(46 ARG C) -140.0 -100.0
 &rst     iat =   688,   690,   692,   712,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 47 GLU PHI:  (46 ARG C)-(47 GLH N)-(47 GLH CA)-(47 GLH C) -140.0 -100.0
 &rst     iat =   712,   714,   716,   728,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 48 SER PHI:  (47 GLH C)-(48 SER N)-(48 SER CA)-(48 SER C) -140.0 -100.0
 &rst     iat =   728,   730,   732,   739,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 49 GLN PHI:  (48 SER C)-(49 GLN N)-(49 GLN CA)-(49 GLN C) -140.0 -100.0
 &rst     iat =   739,   741,   743,   756,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 50 ARG PHI:  (49 GLN C)-(50 ARG N)-(50 ARG CA)-(50 ARG C) -140.0 -100.0
 &rst     iat =   756,   758,   760,   780,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 51 ASN PHI:  (50 ARG C)-(51 ASN N)-(51 ASN CA)-(51 ASN C) -80.0 -40.0
 &rst     iat =   780,   782,   784,   794,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 52 PRO PHI:  (51 ASN C)-(52 PRO N)-(52 PRO CA)-(52 PRO C) -150.0 -30.0
 &rst     iat =   794,   796,   806,   808,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 53 GLN PHI:  (52 PRO C)-(53 GLN N)-(53 GLN CA)-(53 GLN C) -150.0 -30.0
 &rst     iat =   808,   810,   812,   825,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 54 GLY PHI:  (53 GLN C)-(54 GLY N)-(54 GLY CA)-(54 GLY C) -140.0 -100.0
 &rst     iat =   825,   827,   829,   832,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 55 PHE PHI:  (54 GLY C)-(55 PHE N)-(55 PHE CA)-(55 PHE C) -140.0 -100.0
 &rst     iat =   832,   834,   836,   852,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 56 VAL PHI:  (55 PHE C)-(56 VAL N)-(56 VAL CA)-(56 VAL C) -140.0 -100.0
 &rst     iat =   852,   854,   856,   868,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 57 LEU PHI:  (56 VAL C)-(57 LEU N)-(57 LEU CA)-(57 LEU C) -140.0 -100.0
 &rst     iat =   868,   870,   872,   887,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 58 SER PHI:  (57 LEU C)-(58 SER N)-(58 SER CA)-(58 SER C) -140.0 -100.0
 &rst     iat =   887,   889,   891,   898,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 59 LEU PHI:  (58 SER C)-(59 LEU N)-(59 LEU CA)-(59 LEU C) -140.0 -100.0
 &rst     iat =   898,   900,   902,   917,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 60 CYS PHI:  (59 LEU C)-(60 CYS N)-(60 CYS CA)-(60 CYS C) -140.0 -100.0
 &rst     iat =   917,   919,   921,   928,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 61 HIS PHI:  (60 CYS C)-(61 HIE N)-(61 HIE CA)-(61 HIE C) -150.0 -30.0
 &rst     iat =   928,   930,   932,   945,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 62 LEU PHI:  (61 HIE C)-(62 LEU N)-(62 LEU CA)-(62 LEU C) -140.0 -100.0
 &rst     iat =   945,   947,   949,   964,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 63 GLN PHI:  (62 LEU C)-(63 GLN N)-(63 GLN CA)-(63 GLN C) -150.0 -30.0
 &rst     iat =   964,   966,   968,   981,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 64 LYS PHI:  (63 GLN C)-(64 LYS N)-(64 LYS CA)-(64 LYS C) -150.0 -30.0
 &rst     iat =   981,   983,   985,  1003,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 65 VAL PHI:  (64 LYS C)-(65 VAL N)-(65 VAL CA)-(65 VAL C) -140.0 -100.0
 &rst     iat =  1003,  1005,  1007,  1019,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 66 LYS PHI:  (65 VAL C)-(66 LYS N)-(66 LYS CA)-(66 LYS C) -140.0 -100.0
 &rst     iat =  1019,  1021,  1023,  1041,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 67 HIS PHI:  (66 LYS C)-(67 HIE N)-(67 HIE CA)-(67 HIE C) -140.0 -100.0
 &rst     iat =  1041,  1043,  1045,  1058,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 68 TYR PHI:  (67 HIE C)-(68 TYR N)-(68 TYR CA)-(68 TYR C) -140.0 -100.0
 &rst     iat =  1058,  1060,  1062,  1079,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 69 LEU PHI:  (68 TYR C)-(69 LEU N)-(69 LEU CA)-(69 LEU C) -140.0 -100.0
 &rst     iat =  1079,  1081,  1083,  1098,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 70 ILE PHI:  (69 LEU C)-(70 ILE N)-(70 ILE CA)-(70 ILE C) -140.0 -100.0
 &rst     iat =  1098,  1100,  1102,  1117,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 71 LEU PHI:  (70 ILE C)-(71 LEU N)-(71 LEU CA)-(71 LEU C) -140.0 -100.0
 &rst     iat =  1117,  1119,  1121,  1136,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 72 PRO PHI:  (71 LEU C)-(72 PRO N)-(72 PRO CA)-(72 PRO C) -150.0 -30.0
 &rst     iat =  1136,  1138,  1148,  1150,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 73 SER PHI:  (72 PRO C)-(73 SER N)-(73 SER CA)-(73 SER C) -150.0 -30.0
 &rst     iat =  1150,  1152,  1154,  1161,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 74 GLU PHI:  (73 SER C)-(74 GLH N)-(74 GLH CA)-(74 GLH C) -140.0 -100.0
 &rst     iat =  1161,  1163,  1165,  1177,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 75 GLU PHI:  (74 GLH C)-(75 GLU N)-(75 GLU CA)-(75 GLU C) -140.0 -100.0
 &rst     iat =  1177,  1179,  1181,  1192,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 76 GLU PHI:  (75 GLU C)-(76 GLU N)-(76 GLU CA)-(76 GLU C) -140.0 -100.0
 &rst     iat =  1192,  1194,  1196,  1207,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 77 GLY PHI:  (76 GLU C)-(77 GLY N)-(77 GLY CA)-(77 GLY C) -180.0 180.0
 &rst     iat =  1207,  1209,  1211,  1214,
   r1 = -210.0, r2 = -180.0, r3 = 180.0, r4 = 210.0,
 &end

# 78 ARG PHI:  (77 GLY C)-(78 ARG N)-(78 ARG CA)-(78 ARG C) -150.0 -30.0
 &rst     iat =  1214,  1216,  1218,  1238,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 79 LEU PHI:  (78 ARG C)-(79 LEU N)-(79 LEU CA)-(79 LEU C) -80.0 -40.0
 &rst     iat =  1238,  1240,  1242,  1257,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 80 TYR PHI:  (79 LEU C)-(80 TYR N)-(80 TYR CA)-(80 TYR C) -150.0 -30.0
 &rst     iat =  1257,  1259,  1261,  1278,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 81 PHE PHI:  (80 TYR C)-(81 PHE N)-(81 PHE CA)-(81 PHE C) -150.0 -30.0
 &rst     iat =  1278,  1280,  1282,  1298,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 82 SER PHI:  (81 PHE C)-(82 SER N)-(82 SER CA)-(82 SER C) -150.0 -30.0
 &rst     iat =  1298,  1300,  1302,  1309,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 83 MET PHI:  (82 SER C)-(83 MET N)-(83 MET CA)-(83 MET C) -150.0 -30.0
 &rst     iat =  1309,  1311,  1313,  1326,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 84 ASP PHI:  (83 MET C)-(84 ASP N)-(84 ASP CA)-(84 ASP C) -150.0 -30.0
 &rst     iat =  1326,  1328,  1330,  1338,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 85 ASP PHI:  (84 ASP C)-(85 ASP N)-(85 ASP CA)-(85 ASP C) -140.0 -100.0
 &rst     iat =  1338,  1340,  1342,  1350,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 86 GLY PHI:  (85 ASP C)-(86 GLY N)-(86 GLY CA)-(86 GLY C) -140.0 -100.0
 &rst     iat =  1350,  1352,  1354,  1357,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 87 GLN PHI:  (86 GLY C)-(87 GLN N)-(87 GLN CA)-(87 GLN C) -140.0 -100.0
 &rst     iat =  1357,  1359,  1361,  1374,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 88 THR PHI:  (87 GLN C)-(88 THR N)-(88 THR CA)-(88 THR C) -150.0 -30.0
 &rst     iat =  1374,  1376,  1378,  1388,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 89 ARG PHI:  (88 THR C)-(89 ARG N)-(89 ARG CA)-(89 ARG C) -80.0 -40.0
 &rst     iat =  1388,  1390,  1392,  1412,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 90 PHE PHI:  (89 ARG C)-(90 PHE N)-(90 PHE CA)-(90 PHE C) -140.0 -100.0
 &rst     iat =  1412,  1414,  1416,  1432,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 91 THR PHI:  (90 PHE C)-(91 THR N)-(91 THR CA)-(91 THR C) -80.0 -40.0
 &rst     iat =  1432,  1434,  1436,  1446,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 92 ASP PHI:  (91 THR C)-(92 ASP N)-(92 ASP CA)-(92 ASP C) -150.0 -30.0
 &rst     iat =  1446,  1448,  1450,  1458,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 93 LEU PHI:  (92 ASP C)-(93 LEU N)-(93 LEU CA)-(93 LEU C) -80.0 -40.0
 &rst     iat =  1458,  1460,  1462,  1477,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 94 LEU PHI:  (93 LEU C)-(94 LEU N)-(94 LEU CA)-(94 LEU C) -80.0 -40.0
 &rst     iat =  1477,  1479,  1481,  1496,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 95 GLN PHI:  (94 LEU C)-(95 GLN N)-(95 GLN CA)-(95 GLN C) -150.0 -30.0
 &rst     iat =  1496,  1498,  1500,  1513,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 96 LEU PHI:  (95 GLN C)-(96 LEU N)-(96 LEU CA)-(96 LEU C) -80.0 -40.0
 &rst     iat =  1513,  1515,  1517,  1532,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 97 VAL PHI:  (96 LEU C)-(97 VAL N)-(97 VAL CA)-(97 VAL C) -80.0 -40.0
 &rst     iat =  1532,  1534,  1536,  1548,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 98 GLU PHI:  (97 VAL C)-(98 GLU N)-(98 GLU CA)-(98 GLU C) -80.0 -40.0
 &rst     iat =  1548,  1550,  1552,  1563,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 99 PHE PHI:  (98 GLU C)-(99 PHE N)-(99 PHE CA)-(99 PHE C) -80.0 -40.0
 &rst     iat =  1563,  1565,  1567,  1583,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 100 HIS PHI:  (99 PHE C)-(100 HIP N)-(100 HIP CA)-(100 HIP C) -80.0 -40.0
 &rst     iat =  1583,  1585,  1587,  1601,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 101 GLN PHI:  (100 HIP C)-(101 GLN N)-(101 GLN CA)-(101 GLN C) -80.0 -40.0
 &rst     iat =  1601,  1603,  1605,  1618,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 102 LEU PHI:  (101 GLN C)-(102 LEU N)-(102 LEU CA)-(102 LEU C) -150.0 -30.0
 &rst     iat =  1618,  1620,  1622,  1637,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 103 ASN PHI:  (102 LEU C)-(103 ASN N)-(103 ASN CA)-(103 ASN C) -150.0 -30.0
 &rst     iat =  1637,  1639,  1641,  1651,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 104 ARG PHI:  (103 ASN C)-(104 ARG N)-(104 ARG CA)-(104 ARG C) -150.0 -30.0
 &rst     iat =  1651,  1653,  1655,  1675,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 105 GLY PHI:  (104 ARG C)-(105 GLY N)-(105 GLY CA)-(105 GLY C) -180.0 180.0
 &rst     iat =  1675,  1677,  1679,  1682,
   r1 = -210.0, r2 = -180.0, r3 = 180.0, r4 = 210.0,
 &end

# 106 ILE PHI:  (105 GLY C)-(106 ILE N)-(106 ILE CA)-(106 ILE C) -150.0 -30.0
 &rst     iat =  1682,  1684,  1686,  1701,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 107 LEU PHI:  (106 ILE C)-(107 LEU N)-(107 LEU CA)-(107 LEU C) -150.0 -30.0
 &rst     iat =  1701,  1703,  1705,  1720,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 108 PRO PHI:  (107 LEU C)-(108 PRO N)-(108 PRO CA)-(108 PRO C) -150.0 -30.0
 &rst     iat =  1720,  1722,  1732,  1734,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 109 CYS PHI:  (108 PRO C)-(109 CYS N)-(109 CYS CA)-(109 CYS C) -150.0 -30.0
 &rst     iat =  1734,  1736,  1738,  1745,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 110 LEU PHI:  (109 CYS C)-(110 LEU N)-(110 LEU CA)-(110 LEU C) -150.0 -30.0
 &rst     iat =  1745,  1747,  1749,  1764,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 111 LEU PHI:  (110 LEU C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -150.0 -30.0
 &rst     iat =  1764,  1766,  1768,  1783,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 112 ARG PHI:  (111 LEU C)-(112 ARG N)-(112 ARG CA)-(112 ARG C) -150.0 -30.0
 &rst     iat =  1783,  1785,  1787,  1807,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 113 HIS PHI:  (112 ARG C)-(113 HIE N)-(113 HIE CA)-(113 HIE C) -150.0 -30.0
 &rst     iat =  1807,  1809,  1811,  1824,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 114 CYS PHI:  (113 HIE C)-(114 CYS N)-(114 CYS CA)-(114 CYS C) -140.0 -100.0
 &rst     iat =  1824,  1826,  1828,  1835,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 115 CYS PHI:  (114 CYS C)-(115 CYS N)-(115 CYS CA)-(115 CYS C) -140.0 -100.0
 &rst     iat =  1835,  1837,  1839,  1846,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 116 THR PHI:  (115 CYS C)-(116 THR N)-(116 THR CA)-(116 THR C) -140.0 -100.0
 &rst     iat =  1846,  1848,  1850,  1860,
   r1 = -170.0, r2 = -140.0, r3 = -100.0, r4 = -70.0,
 &end

# 117 ARG PHI:  (116 THR C)-(117 ARG N)-(117 ARG CA)-(117 ARG C) -150.0 -30.0
 &rst     iat =  1860,  1862,  1864,  1884,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 118 VAL PHI:  (117 ARG C)-(118 VAL N)-(118 VAL CA)-(118 VAL C) -150.0 -30.0
 &rst     iat =  1884,  1886,  1888,  1900,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end

# 119 ALA PHI:  (118 VAL C)-(119 ALA N)-(119 ALA CA)-(119 ALA C) -80.0 -40.0
 &rst     iat =  1900,  1902,  1904,  1910,
   r1 = -110.0, r2 = -80.0, r3 = -40.0, r4 = -10.0,
 &end

# 120 LEU PHI:  (119 ALA C)-(120 LEU N)-(120 LEU CA)-(120 LEU C) -150.0 -30.0
 &rst     iat =  1910,  1912,  1914,  1929,
   r1 = -180.0, r2 = -150.0, r3 = -30.0, r4 = 0.0,
 &end
###
# Chirality and trans-omega restraints
#
#  - Generated using makeCHIR_RST program in Amber, version 9.
#  - Edited to remove omega restraints on peptide bonds involving Pro residues.
#     => i.e., Commented out trans-omega restraints for residues 3, 52, 72, 
#        108, 121, 123, and 129.
###

#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 100., rk3=100.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=31,25,29,30, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=28,22,26,27, &end
#
#  chirality for residue 3 atoms:  CG N HD2 HD3
 &rst iat=25,21,23,24, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,33,32,28, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=35,43,38,39, &end
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=45,54,48,49, &end
#
#  chirality for residue 6 atoms:  N C HA2 HA3
 &rst iat=56,61,59,60, &end
#
#  chirality for residue 7 atoms:  CA CG2 OG1 HB
 &rst iat=65,69,73,68, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=63,75,66,67, &end
#
#  chirality for residue 8 atoms:  CA OG HB2 HB3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=77,86,80,81, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=90,95,93,94, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=92,97,101,96, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=88,105,91,92, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=109,114,112,113, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=107,116,110,111, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=118,126,121,122, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=128,136,131,132, &end
#
#  chirality for residue 13 atoms:  CA CG2 CG1 HB
 &rst iat=140,144,148,143, &end
#
#  chirality for residue 13 atoms:  CB CD1 HG12 HG13
 &rst iat=142,151,149,150, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=138,155,141,142, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=159,164,162,163, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=157,172,160,161, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=176,181,179,180, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=178,184,182,183, &end
#
#  chirality for residue 15 atoms:  CG NE HD2 HD3
 &rst iat=181,187,185,186, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=174,196,177,178, &end
#
#  chirality for residue 16 atoms:  CA CG2 OG1 HB
 &rst iat=200,204,208,203, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=198,210,201,202, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=214,219,217,218, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=216,222,220,221, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=212,227,215,216, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=231,236,234,235, &end
#
#  chirality for residue 18 atoms:  CB CD1 CD2 HG
 &rst iat=233,238,242,237, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=229,246,232,233, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=250,255,253,254, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=248,270,251,252, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=274,279,277,278, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=272,290,275,276, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=294,299,297,298, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=292,307,295,296, &end
#
#  chirality for residue 22 atoms:  N C HA2 HA3
 &rst iat=309,314,312,313, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=318,323,321,322, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=320,326,324,325, &end
#
#  chirality for residue 23 atoms:  CG NE HD2 HD3
 &rst iat=323,329,327,328, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=316,338,319,320, &end
#
#  chirality for residue 24 atoms:  CA CG2 CG1 HB
 &rst iat=342,346,350,345, &end
#
#  chirality for residue 24 atoms:  CB CD1 HG12 HG13
 &rst iat=344,353,351,352, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=340,357,343,344, &end
#
#  chirality for residue 25 atoms:  CA OG HB2 HB3
 &rst iat=361,366,364,365, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=359,368,362,363, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=372,377,375,376, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=374,380,378,379, &end
#
#  chirality for residue 26 atoms:  CG NE HD2 HD3
 &rst iat=377,383,381,382, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=370,392,373,374, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=396,401,399,400, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=398,404,402,403, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=394,407,397,398, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=413,419,417,418, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=409,422,412,413, &end
#
#  chirality for residue 29 atoms:  CA OG HB2 HB3
 &rst iat=426,431,429,430, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=424,433,427,428, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=435,450,438,439, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=454,459,457,458, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=456,462,460,461, &end
#
#  chirality for residue 31 atoms:  CG NE HD2 HD3
 &rst iat=459,465,463,464, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=452,474,455,456, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=478,483,481,482, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=480,485,489,484, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=476,493,479,480, &end
#
#  chirality for residue 33 atoms:  CA CG2 CG1 HB
 &rst iat=497,501,505,500, &end
#
#  chirality for residue 33 atoms:  CB CD1 HG12 HG13
 &rst iat=499,508,506,507, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=495,512,498,499, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=514,519,517,518, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=525,531,529,530, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=521,536,524,525, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=542,548,546,547, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=538,553,541,542, &end
#
#  chirality for residue 37 atoms:  N C HA2 HA3
 &rst iat=555,560,558,559, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=564,569,567,568, &end
#
#  chirality for residue 38 atoms:  CB CD1 CD2 HG
 &rst iat=566,571,575,570, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=562,579,565,566, &end
#
#  chirality for residue 39 atoms:  CA CG1 CG2 HB
 &rst iat=583,587,591,586, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=581,595,584,585, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=599,604,602,603, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=597,607,600,601, &end
#
#  chirality for residue 41 atoms:  N C HA2 HA3
 &rst iat=609,614,612,613, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=618,623,621,622, &end
#
#  chirality for residue 42 atoms:  CB CD1 CD2 HG
 &rst iat=620,625,629,624, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=616,633,619,620, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=637,642,640,641, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=635,653,638,639, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=657,662,660,661, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=659,664,668,663, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=655,672,658,659, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=676,680,684,679, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=674,688,677,678, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=692,697,695,696, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=694,700,698,699, &end
#
#  chirality for residue 46 atoms:  CG NE HD2 HD3
 &rst iat=697,703,701,702, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=690,712,693,694, &end
#
#  chirality for residue 48 atoms:  CA OG HB2 HB3
 &rst iat=732,737,735,736, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=730,739,733,734, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=743,748,746,747, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=745,751,749,750, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=741,756,744,745, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=760,765,763,764, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=762,768,766,767, &end
#
#  chirality for residue 50 atoms:  CG NE HD2 HD3
 &rst iat=765,771,769,770, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=758,780,761,762, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=784,789,787,788, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=782,794,785,786, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=806,800,804,805, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=803,797,801,802, &end
#
#  chirality for residue 52 atoms:  CG N HD2 HD3
 &rst iat=800,796,798,799, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=796,808,807,803, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=812,817,815,816, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=814,820,818,819, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=810,825,813,814, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=827,832,830,831, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=836,841,839,840, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=834,852,837,838, &end
#
#  chirality for residue 56 atoms:  CA CG1 CG2 HB
 &rst iat=856,860,864,859, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=854,868,857,858, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=872,877,875,876, &end
#
#  chirality for residue 57 atoms:  CB CD1 CD2 HG
 &rst iat=874,879,883,878, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=870,887,873,874, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=891,896,894,895, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=889,898,892,893, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=902,907,905,906, &end
#
#  chirality for residue 59 atoms:  CB CD1 CD2 HG
 &rst iat=904,909,913,908, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=900,917,903,904, &end
#
#  chirality for residue 60 atoms:  CA SG HB2 HB3
 &rst iat=921,926,924,925, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=919,928,922,923, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=932,937,935,936, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=930,945,933,934, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=949,954,952,953, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=951,956,960,955, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=947,964,950,951, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=968,973,971,972, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=970,976,974,975, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=966,981,969,970, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=985,990,988,989, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=987,993,991,992, &end
#
#  chirality for residue 64 atoms:  CD NZ HE2 HE3
 &rst iat=993,999,997,998, &end
#
#  chirality for residue 64 atoms:  CG CE HD2 HD3
 &rst iat=990,996,994,995, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=983,1003,986,987, &end
#
#  chirality for residue 65 atoms:  CA CG1 CG2 HB
 &rst iat=1007,1011,1015,1010, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1005,1019,1008,1009, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1023,1028,1026,1027, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1025,1031,1029,1030, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=1031,1037,1035,1036, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=1028,1034,1032,1033, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1021,1041,1024,1025, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1045,1050,1048,1049, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1043,1058,1046,1047, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1062,1067,1065,1066, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1060,1079,1063,1064, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1083,1088,1086,1087, &end
#
#  chirality for residue 69 atoms:  CB CD1 CD2 HG
 &rst iat=1085,1090,1094,1089, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1081,1098,1084,1085, &end
#
#  chirality for residue 70 atoms:  CA CG2 CG1 HB
 &rst iat=1102,1106,1110,1105, &end
#
#  chirality for residue 70 atoms:  CB CD1 HG12 HG13
 &rst iat=1104,1113,1111,1112, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1100,1117,1103,1104, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1121,1126,1124,1125, &end
#
#  chirality for residue 71 atoms:  CB CD1 CD2 HG
 &rst iat=1123,1128,1132,1127, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1119,1136,1122,1123, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1148,1142,1146,1147, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1145,1139,1143,1144, &end
#
#  chirality for residue 72 atoms:  CG N HD2 HD3
 &rst iat=1142,1138,1140,1141, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1138,1150,1149,1145, &end
#
#  chirality for residue 73 atoms:  CA OG HB2 HB3
 &rst iat=1154,1159,1157,1158, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1152,1161,1155,1156, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1181,1186,1184,1185, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1183,1189,1187,1188, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1179,1192,1182,1183, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1198,1204,1202,1203, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1194,1207,1197,1198, &end
#
#  chirality for residue 77 atoms:  N C HA2 HA3
 &rst iat=1209,1214,1212,1213, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1218,1223,1221,1222, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1220,1226,1224,1225, &end
#
#  chirality for residue 78 atoms:  CG NE HD2 HD3
 &rst iat=1223,1229,1227,1228, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1216,1238,1219,1220, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1242,1247,1245,1246, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1244,1249,1253,1248, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1240,1257,1243,1244, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1261,1266,1264,1265, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1259,1278,1262,1263, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1282,1287,1285,1286, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1280,1298,1283,1284, &end
#
#  chirality for residue 82 atoms:  CA OG HB2 HB3
 &rst iat=1302,1307,1305,1306, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1300,1309,1303,1304, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1313,1318,1316,1317, &end
#
#  chirality for residue 83 atoms:  CB SD HG2 HG3
 &rst iat=1315,1321,1319,1320, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1311,1326,1314,1315, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1330,1335,1333,1334, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1328,1338,1331,1332, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1342,1347,1345,1346, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1340,1350,1343,1344, &end
#
#  chirality for residue 86 atoms:  N C HA2 HA3
 &rst iat=1352,1357,1355,1356, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1361,1366,1364,1365, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1363,1369,1367,1368, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1359,1374,1362,1363, &end
#
#  chirality for residue 88 atoms:  CA CG2 OG1 HB
 &rst iat=1378,1382,1386,1381, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1376,1388,1379,1380, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1392,1397,1395,1396, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1394,1400,1398,1399, &end
#
#  chirality for residue 89 atoms:  CG NE HD2 HD3
 &rst iat=1397,1403,1401,1402, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1390,1412,1393,1394, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1416,1421,1419,1420, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1414,1432,1417,1418, &end
#
#  chirality for residue 91 atoms:  CA CG2 OG1 HB
 &rst iat=1436,1440,1444,1439, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1434,1446,1437,1438, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1450,1455,1453,1454, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1448,1458,1451,1452, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1462,1467,1465,1466, &end
#
#  chirality for residue 93 atoms:  CB CD1 CD2 HG
 &rst iat=1464,1469,1473,1468, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1460,1477,1463,1464, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1481,1486,1484,1485, &end
#
#  chirality for residue 94 atoms:  CB CD1 CD2 HG
 &rst iat=1483,1488,1492,1487, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1479,1496,1482,1483, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1500,1505,1503,1504, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1502,1508,1506,1507, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1498,1513,1501,1502, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1517,1522,1520,1521, &end
#
#  chirality for residue 96 atoms:  CB CD1 CD2 HG
 &rst iat=1519,1524,1528,1523, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1515,1532,1518,1519, &end
#
#  chirality for residue 97 atoms:  CA CG1 CG2 HB
 &rst iat=1536,1540,1544,1539, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1534,1548,1537,1538, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1552,1557,1555,1556, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1554,1560,1558,1559, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1550,1563,1553,1554, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1567,1572,1570,1571, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1565,1583,1568,1569, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1587,1592,1590,1591, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1585,1601,1588,1589, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1605,1610,1608,1609, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1607,1613,1611,1612, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1603,1618,1606,1607, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1622,1627,1625,1626, &end
#
#  chirality for residue 102 atoms:  CB CD1 CD2 HG
 &rst iat=1624,1629,1633,1628, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1620,1637,1623,1624, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1641,1646,1644,1645, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1639,1651,1642,1643, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1655,1660,1658,1659, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1657,1663,1661,1662, &end
#
#  chirality for residue 104 atoms:  CG NE HD2 HD3
 &rst iat=1660,1666,1664,1665, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1653,1675,1656,1657, &end
#
#  chirality for residue 105 atoms:  N C HA2 HA3
 &rst iat=1677,1682,1680,1681, &end
#
#  chirality for residue 106 atoms:  CA CG2 CG1 HB
 &rst iat=1686,1690,1694,1689, &end
#
#  chirality for residue 106 atoms:  CB CD1 HG12 HG13
 &rst iat=1688,1697,1695,1696, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1684,1701,1687,1688, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1705,1710,1708,1709, &end
#
#  chirality for residue 107 atoms:  CB CD1 CD2 HG
 &rst iat=1707,1712,1716,1711, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1703,1720,1706,1707, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1732,1726,1730,1731, &end
#
#  chirality for residue 108 atoms:  CB CD HG2 HG3
 &rst iat=1729,1723,1727,1728, &end
#
#  chirality for residue 108 atoms:  CG N HD2 HD3
 &rst iat=1726,1722,1724,1725, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1722,1734,1733,1729, &end
#
#  chirality for residue 109 atoms:  CA SG HB2 HB3
 &rst iat=1738,1743,1741,1742, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1736,1745,1739,1740, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1749,1754,1752,1753, &end
#
#  chirality for residue 110 atoms:  CB CD1 CD2 HG
 &rst iat=1751,1756,1760,1755, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1747,1764,1750,1751, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1768,1773,1771,1772, &end
#
#  chirality for residue 111 atoms:  CB CD1 CD2 HG
 &rst iat=1770,1775,1779,1774, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1766,1783,1769,1770, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1787,1792,1790,1791, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1789,1795,1793,1794, &end
#
#  chirality for residue 112 atoms:  CG NE HD2 HD3
 &rst iat=1792,1798,1796,1797, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1785,1807,1788,1789, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1811,1816,1814,1815, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1809,1824,1812,1813, &end
#
#  chirality for residue 114 atoms:  CA SG HB2 HB3
 &rst iat=1828,1833,1831,1832, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1826,1835,1829,1830, &end
#
#  chirality for residue 115 atoms:  CA SG HB2 HB3
 &rst iat=1839,1844,1842,1843, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1837,1846,1840,1841, &end
#
#  chirality for residue 116 atoms:  CA CG2 OG1 HB
 &rst iat=1850,1854,1858,1853, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1848,1860,1851,1852, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1864,1869,1867,1868, &end
#
#  chirality for residue 117 atoms:  CB CD HG2 HG3
 &rst iat=1866,1872,1870,1871, &end
#
#  chirality for residue 117 atoms:  CG NE HD2 HD3
 &rst iat=1869,1875,1873,1874, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1862,1884,1865,1866, &end
#
#  chirality for residue 118 atoms:  CA CG1 CG2 HB
 &rst iat=1888,1892,1896,1891, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1886,1900,1889,1890, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1902,1910,1905,1906, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1914,1919,1917,1918, &end
#
#  chirality for residue 120 atoms:  CB CD1 CD2 HG
 &rst iat=1916,1921,1925,1920, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1912,1929,1915,1916, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1944,1938,1942,1943, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1941,1935,1939,1940, &end
#
#  chirality for residue 121 atoms:  CG N HD2 HD3
 &rst iat=1938,1932,1936,1937, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1932,1946,1945,1941, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1950,1955,1953,1954, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1952,1958,1956,1957, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1948,1963,1951,1952, &end
#
#  chirality for residue 123 atoms:  CA CG HB2 HB3
 &rst iat=1975,1969,1973,1974, &end
#
#  chirality for residue 123 atoms:  CB CD HG2 HG3
 &rst iat=1972,1966,1970,1971, &end
#
#  chirality for residue 123 atoms:  CG N HD2 HD3
 &rst iat=1969,1965,1967,1968, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1965,1977,1976,1972, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1981,1986,1984,1985, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1983,1989,1987,1988, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1979,1992,1982,1983, &end
#
#  chirality for residue 126 atoms:  CA CG1 CG2 HB
 &rst iat=2020,2024,2028,2023, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=2018,2032,2021,2022, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=2036,2041,2039,2040, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=2034,2046,2037,2038, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=2050,2055,2053,2054, &end
#
#  chirality for residue 128 atoms:  CB CD HG2 HG3
 &rst iat=2052,2058,2056,2057, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=2048,2063,2051,2052, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=2075,2069,2073,2074, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=2072,2066,2070,2071, &end
#
#  chirality for residue 129 atoms:  CG N HD2 HD3
 &rst iat=2069,2065,2067,2068, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=2065,2077,2076,2072, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=155., r2=175., r3=185., r4=205., rk2 = 200., rk3=200.,  &end
#  The above r1, r2, r3, and r4 values come from Amber 9 manual example.
#  These values "tighten up" the restraints, compared to the makeCHIR_RST
#    defaults.
#
#  trans-omega constraint for residue 3
# &rst iat=31,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=37,35,33,31, &end
#
#  trans-omega constraint for residue 5
 &rst iat=47,45,43,37, &end
#
#  trans-omega constraint for residue 6
 &rst iat=58,56,54,47, &end
#
#  trans-omega constraint for residue 7
 &rst iat=65,63,61,58, &end
#
#  trans-omega constraint for residue 8
 &rst iat=79,77,75,65, &end
#
#  trans-omega constraint for residue 9
 &rst iat=90,88,86,79, &end
#
#  trans-omega constraint for residue 10
 &rst iat=109,107,105,90, &end
#
#  trans-omega constraint for residue 11
 &rst iat=120,118,116,109, &end
#
#  trans-omega constraint for residue 12
 &rst iat=130,128,126,120, &end
#
#  trans-omega constraint for residue 13
 &rst iat=140,138,136,130, &end
#
#  trans-omega constraint for residue 14
 &rst iat=159,157,155,140, &end
#
#  trans-omega constraint for residue 15
 &rst iat=176,174,172,159, &end
#
#  trans-omega constraint for residue 16
 &rst iat=200,198,196,176, &end
#
#  trans-omega constraint for residue 17
 &rst iat=214,212,210,200, &end
#
#  trans-omega constraint for residue 18
 &rst iat=231,229,227,214, &end
#
#  trans-omega constraint for residue 19
 &rst iat=250,248,246,231, &end
#
#  trans-omega constraint for residue 20
 &rst iat=274,272,270,250, &end
#
#  trans-omega constraint for residue 21
 &rst iat=294,292,290,274, &end
#
#  trans-omega constraint for residue 22
 &rst iat=311,309,307,294, &end
#
#  trans-omega constraint for residue 23
 &rst iat=318,316,314,311, &end
#
#  trans-omega constraint for residue 24
 &rst iat=342,340,338,318, &end
#
#  trans-omega constraint for residue 25
 &rst iat=361,359,357,342, &end
#
#  trans-omega constraint for residue 26
 &rst iat=372,370,368,361, &end
#
#  trans-omega constraint for residue 27
 &rst iat=396,394,392,372, &end
#
#  trans-omega constraint for residue 28
 &rst iat=411,409,407,396, &end
#
#  trans-omega constraint for residue 29
 &rst iat=426,424,422,411, &end
#
#  trans-omega constraint for residue 30
 &rst iat=437,435,433,426, &end
#
#  trans-omega constraint for residue 31
 &rst iat=454,452,450,437, &end
#
#  trans-omega constraint for residue 32
 &rst iat=478,476,474,454, &end
#
#  trans-omega constraint for residue 33
 &rst iat=497,495,493,478, &end
#
#  trans-omega constraint for residue 34
 &rst iat=516,514,512,497, &end
#
#  trans-omega constraint for residue 35
 &rst iat=523,521,519,516, &end
#
#  trans-omega constraint for residue 36
 &rst iat=540,538,536,523, &end
#
#  trans-omega constraint for residue 37
 &rst iat=557,555,553,540, &end
#
#  trans-omega constraint for residue 38
 &rst iat=564,562,560,557, &end
#
#  trans-omega constraint for residue 39
 &rst iat=583,581,579,564, &end
#
#  trans-omega constraint for residue 40
 &rst iat=599,597,595,583, &end
#
#  trans-omega constraint for residue 41
 &rst iat=611,609,607,599, &end
#
#  trans-omega constraint for residue 42
 &rst iat=618,616,614,611, &end
#
#  trans-omega constraint for residue 43
 &rst iat=637,635,633,618, &end
#
#  trans-omega constraint for residue 44
 &rst iat=657,655,653,637, &end
#
#  trans-omega constraint for residue 45
 &rst iat=676,674,672,657, &end
#
#  trans-omega constraint for residue 46
 &rst iat=692,690,688,676, &end
#
#  trans-omega constraint for residue 47
 &rst iat=716,714,712,692, &end
#
#  trans-omega constraint for residue 48
 &rst iat=732,730,728,716, &end
#
#  trans-omega constraint for residue 49
 &rst iat=743,741,739,732, &end
#
#  trans-omega constraint for residue 50
 &rst iat=760,758,756,743, &end
#
#  trans-omega constraint for residue 51
 &rst iat=784,782,780,760, &end
#
#  trans-omega constraint for residue 52
# &rst iat=806,796,794,784, &end
#
#  trans-omega constraint for residue 53
 &rst iat=812,810,808,806, &end
#
#  trans-omega constraint for residue 54
 &rst iat=829,827,825,812, &end
#
#  trans-omega constraint for residue 55
 &rst iat=836,834,832,829, &end
#
#  trans-omega constraint for residue 56
 &rst iat=856,854,852,836, &end
#
#  trans-omega constraint for residue 57
 &rst iat=872,870,868,856, &end
#
#  trans-omega constraint for residue 58
 &rst iat=891,889,887,872, &end
#
#  trans-omega constraint for residue 59
 &rst iat=902,900,898,891, &end
#
#  trans-omega constraint for residue 60
 &rst iat=921,919,917,902, &end
#
#  trans-omega constraint for residue 61
 &rst iat=932,930,928,921, &end
#
#  trans-omega constraint for residue 62
 &rst iat=949,947,945,932, &end
#
#  trans-omega constraint for residue 63
 &rst iat=968,966,964,949, &end
#
#  trans-omega constraint for residue 64
 &rst iat=985,983,981,968, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1007,1005,1003,985, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1023,1021,1019,1007, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1045,1043,1041,1023, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1062,1060,1058,1045, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1083,1081,1079,1062, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1102,1100,1098,1083, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1121,1119,1117,1102, &end
#
#  trans-omega constraint for residue 72
# &rst iat=1148,1138,1136,1121, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1154,1152,1150,1148, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1165,1163,1161,1154, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1181,1179,1177,1165, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1196,1194,1192,1181, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1211,1209,1207,1196, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1218,1216,1214,1211, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1242,1240,1238,1218, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1261,1259,1257,1242, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1282,1280,1278,1261, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1302,1300,1298,1282, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1313,1311,1309,1302, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1330,1328,1326,1313, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1342,1340,1338,1330, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1354,1352,1350,1342, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1361,1359,1357,1354, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1378,1376,1374,1361, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1392,1390,1388,1378, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1416,1414,1412,1392, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1436,1434,1432,1416, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1450,1448,1446,1436, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1462,1460,1458,1450, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1481,1479,1477,1462, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1500,1498,1496,1481, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1517,1515,1513,1500, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1536,1534,1532,1517, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1552,1550,1548,1536, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1567,1565,1563,1552, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1587,1585,1583,1567, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1605,1603,1601,1587, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1622,1620,1618,1605, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1641,1639,1637,1622, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1655,1653,1651,1641, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1679,1677,1675,1655, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1686,1684,1682,1679, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1705,1703,1701,1686, &end
#
#  trans-omega constraint for residue 108
# &rst iat=1732,1722,1720,1705, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1738,1736,1734,1732, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1749,1747,1745,1738, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1768,1766,1764,1749, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1787,1785,1783,1768, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1811,1809,1807,1787, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1828,1826,1824,1811, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1839,1837,1835,1828, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1850,1848,1846,1839, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1864,1862,1860,1850, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1888,1886,1884,1864, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1904,1902,1900,1888, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1914,1912,1910,1904, &end
#
#  trans-omega constraint for residue 121
# &rst iat=1944,1932,1929,1914, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1950,1948,1946,1944, &end
#
#  trans-omega constraint for residue 123
# &rst iat=1975,1965,1963,1950, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1981,1979,1977,1975, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1996,1994,1992,1981, &end
#
#  trans-omega constraint for residue 126
 &rst iat=2020,2018,2016,1996, &end
#
#  trans-omega constraint for residue 127
 &rst iat=2036,2034,2032,2020, &end
#
#  trans-omega constraint for residue 128
 &rst iat=2050,2048,2046,2036, &end
#
#  trans-omega constraint for residue 129
# &rst iat=2075,2065,2063,2050, &end
#
#  trans-omega constraint for residue 130
 &rst iat=2081,2079,2077,2075, &end
REMARK                                                              
ATOM      1 N    GLY     1      20.377   5.121  30.384  1.00  0.00              
ATOM      2 H1   GLY     1      20.996   5.649  30.980  1.00  0.00              
ATOM      3 H2   GLY     1      20.558   5.374  29.424  1.00  0.00              
ATOM      4 H3   GLY     1      20.576   4.140  30.501  1.00  0.00              
ATOM      5 CA   GLY     1      18.964   5.400  30.735  1.00  0.00              
ATOM      6 HA2  GLY     1      18.309   4.819  30.084  1.00  0.00              
ATOM      7 HA3  GLY     1      18.782   5.106  31.769  1.00  0.00              
ATOM      8 C    GLY     1      18.623   6.879  30.590  1.00  0.00              
ATOM      9 O    GLY     1      19.466   7.741  30.850  1.00  0.00              
ATOM     10 N    SER     2      17.381   7.177  30.191  1.00  0.00              
ATOM     11 H    SER     2      16.734   6.414  30.034  1.00  0.00              
ATOM     12 CA   SER     2      16.869   8.540  29.933  1.00  0.00              
ATOM     13 HA   SER     2      17.557   9.267  30.366  1.00  0.00              
ATOM     14 CB   SER     2      16.794   8.801  28.420  1.00  0.00              
ATOM     15 HB2  SER     2      16.125   8.070  27.961  1.00  0.00              
ATOM     16 HB3  SER     2      16.387   9.798  28.243  1.00  0.00              
ATOM     17 OG   SER     2      18.078   8.710  27.819  1.00  0.00              
ATOM     18 HG   SER     2      17.977   8.884  26.870  1.00  0.00              
ATOM     19 C    SER     2      15.475   8.762  30.555  1.00  0.00              
ATOM     20 O    SER     2      14.703   7.800  30.667  1.00  0.00              
ATOM     21 N    PRO     3      15.115  10.004  30.944  1.00  0.00              
ATOM     22 CD   PRO     3      15.942  11.205  30.899  1.00  0.00              
ATOM     23 HD2  PRO     3      16.404  11.343  29.921  1.00  0.00              
ATOM     24 HD3  PRO     3      16.710  11.143  31.672  1.00  0.00              
ATOM     25 CG   PRO     3      15.005  12.373  31.201  1.00  0.00              
ATOM     26 HG2  PRO     3      14.548  12.727  30.275  1.00  0.00              
ATOM     27 HG3  PRO     3      15.524  13.187  31.709  1.00  0.00              
ATOM     28 CB   PRO     3      13.942  11.733  32.091  1.00  0.00              
ATOM     29 HB2  PRO     3      13.005  12.292  32.070  1.00  0.00              
ATOM     30 HB3  PRO     3      14.318  11.663  33.113  1.00  0.00              
ATOM     31 CA   PRO     3      13.798  10.325  31.502  1.00  0.00              
ATOM     32 HA   PRO     3      13.563   9.630  32.310  1.00  0.00              
ATOM     33 C    PRO     3      12.671  10.251  30.453  1.00  0.00              
ATOM     34 O    PRO     3      12.902  10.402  29.248  1.00  0.00              
ATOM     35 N    ALA     4      11.438  10.043  30.925  1.00  0.00              
ATOM     36 H    ALA     4      11.324   9.946  31.924  1.00  0.00              
ATOM     37 CA   ALA     4      10.218   9.970  30.110  1.00  0.00              
ATOM     38 HA   ALA     4      10.356  10.566  29.206  1.00  0.00              
ATOM     39 CB   ALA     4       9.997   8.507  29.695  1.00  0.00              
ATOM     40 HB1  ALA     4       9.114   8.431  29.058  1.00  0.00              
ATOM     41 HB2  ALA     4      10.862   8.143  29.139  1.00  0.00              
ATOM     42 HB3  ALA     4       9.852   7.885  30.580  1.00  0.00              
ATOM     43 C    ALA     4       8.986  10.534  30.853  1.00  0.00              
ATOM     44 O    ALA     4       8.956  10.582  32.088  1.00  0.00              
ATOM     45 N    SER     5       7.958  10.937  30.097  1.00  0.00              
ATOM     46 H    SER     5       8.036  10.817  29.095  1.00  0.00              
ATOM     47 CA   SER     5       6.668  11.423  30.627  1.00  0.00              
ATOM     48 HA   SER     5       6.820  11.809  31.636  1.00  0.00              
ATOM     49 CB   SER     5       6.137  12.585  29.775  1.00  0.00              
ATOM     50 HB2  SER     5       6.019  12.258  28.740  1.00  0.00              
ATOM     51 HB3  SER     5       5.162  12.895  30.155  1.00  0.00              
ATOM     52 OG   SER     5       7.021  13.695  29.831  1.00  0.00              
ATOM     53 HG   SER     5       7.879  13.415  29.479  1.00  0.00              
ATOM     54 C    SER     5       5.616  10.305  30.716  1.00  0.00              
ATOM     55 O    SER     5       5.627   9.360  29.923  1.00  0.00              
ATOM     56 N    GLY     6       4.679  10.425  31.664  1.00  0.00              
ATOM     57 H    GLY     6       4.734  11.217  32.293  1.00  0.00              
ATOM     58 CA   GLY     6       3.603   9.446  31.903  1.00  0.00              
ATOM     59 HA2  GLY     6       4.018   8.439  31.857  1.00  0.00              
ATOM     60 HA3  GLY     6       3.214   9.601  32.910  1.00  0.00              
ATOM     61 C    GLY     6       2.412   9.516  30.930  1.00  0.00              
ATOM     62 O    GLY     6       1.526   8.658  30.984  1.00  0.00              
ATOM     63 N    THR     7       2.370  10.522  30.050  1.00  0.00              
ATOM     64 H    THR     7       3.106  11.210  30.092  1.00  0.00              
ATOM     65 CA   THR     7       1.277  10.773  29.088  1.00  0.00              
ATOM     66 HA   THR     7       0.348  10.868  29.651  1.00  0.00              
ATOM     67 CB   THR     7       1.515  12.100  28.338  1.00  0.00              
ATOM     68 HB   THR     7       2.344  11.974  27.640  1.00  0.00              
ATOM     69 CG2  THR     7       0.285  12.586  27.568  1.00  0.00              
ATOM     70 HG21 THR     7       0.047  11.891  26.763  1.00  0.00              
ATOM     71 HG22 THR     7      -0.571  12.670  28.239  1.00  0.00              
ATOM     72 HG23 THR     7       0.488  13.561  27.121  1.00  0.00              
ATOM     73 OG1  THR     7       1.853  13.126  29.253  1.00  0.00              
ATOM     74 HG1  THR     7       1.992  13.935  28.742  1.00  0.00              
ATOM     75 C    THR     7       1.113   9.628  28.074  1.00  0.00              
ATOM     76 O    THR     7       2.100   9.083  27.571  1.00  0.00              
ATOM     77 N    SER     8      -0.137   9.289  27.740  1.00  0.00              
ATOM     78 H    SER     8      -0.899   9.775  28.193  1.00  0.00              
ATOM     79 CA   SER     8      -0.520   8.251  26.766  1.00  0.00              
ATOM     80 HA   SER     8       0.363   7.947  26.201  1.00  0.00              
ATOM     81 CB   SER     8      -1.036   7.005  27.504  1.00  0.00              
ATOM     82 HB2  SER     8      -1.275   6.225  26.778  1.00  0.00              
ATOM     83 HB3  SER     8      -0.247   6.632  28.160  1.00  0.00              
ATOM     84 OG   SER     8      -2.189   7.301  28.279  1.00  0.00              
ATOM     85 HG   SER     8      -2.442   6.497  28.759  1.00  0.00              
ATOM     86 C    SER     8      -1.550   8.759  25.740  1.00  0.00              
ATOM     87 O    SER     8      -2.190   9.798  25.941  1.00  0.00              
ATOM     88 N    LEU     9      -1.697   8.038  24.620  1.00  0.00              
ATOM     89 H    LEU     9      -1.147   7.194  24.522  1.00  0.00              
ATOM     90 CA   LEU     9      -2.574   8.395  23.494  1.00  0.00              
ATOM     91 HA   LEU     9      -3.359   9.056  23.865  1.00  0.00              
ATOM     92 CB   LEU     9      -1.725   9.162  22.456  1.00  0.00              
ATOM     93 HB2  LEU     9      -1.215   9.984  22.962  1.00  0.00              
ATOM     94 HB3  LEU     9      -0.958   8.484  22.076  1.00  0.00              
ATOM     95 CG   LEU     9      -2.496   9.745  21.256  1.00  0.00              
ATOM     96 HG   LEU     9      -3.026   8.943  20.747  1.00  0.00              
ATOM     97 CD1  LEU     9      -3.507  10.817  21.669  1.00  0.00              
ATOM     98 HD11 LEU     9      -3.989  11.229  20.781  1.00  0.00              
ATOM     99 HD12 LEU     9      -4.279  10.390  22.306  1.00  0.00              
ATOM    100 HD13 LEU     9      -3.001  11.620  22.206  1.00  0.00              
ATOM    101 CD2  LEU     9      -1.517  10.369  20.262  1.00  0.00              
ATOM    102 HD21 LEU     9      -0.808   9.614  19.920  1.00  0.00              
ATOM    103 HD22 LEU     9      -2.061  10.752  19.397  1.00  0.00              
ATOM    104 HD23 LEU     9      -0.972  11.187  20.734  1.00  0.00              
ATOM    105 C    LEU     9      -3.258   7.149  22.891  1.00  0.00              
ATOM    106 O    LEU     9      -2.641   6.089  22.768  1.00  0.00              
ATOM    107 N    SER    10      -4.525   7.290  22.486  1.00  0.00              
ATOM    108 H    SER    10      -4.975   8.185  22.631  1.00  0.00              
ATOM    109 CA   SER    10      -5.393   6.212  21.965  1.00  0.00              
ATOM    110 HA   SER    10      -4.996   5.255  22.307  1.00  0.00              
ATOM    111 CB   SER    10      -6.792   6.357  22.582  1.00  0.00              
ATOM    112 HB2  SER    10      -7.449   5.572  22.203  1.00  0.00              
ATOM    113 HB3  SER    10      -6.714   6.244  23.665  1.00  0.00              
ATOM    114 OG   SER    10      -7.341   7.634  22.285  1.00  0.00              
ATOM    115 HG   SER    10      -8.224   7.680  22.685  1.00  0.00              
ATOM    116 C    SER    10      -5.461   6.121  20.426  1.00  0.00              
ATOM    117 O    SER    10      -6.295   5.396  19.875  1.00  0.00              
ATOM    118 N    ALA    11      -4.597   6.857  19.717  1.00  0.00              
ATOM    119 H    ALA    11      -3.925   7.403  20.230  1.00  0.00              
ATOM    120 CA   ALA    11      -4.575   6.957  18.254  1.00  0.00              
ATOM    121 HA   ALA    11      -5.586   7.200  17.918  1.00  0.00              
ATOM    122 CB   ALA    11      -3.664   8.133  17.872  1.00  0.00              
ATOM    123 HB1  ALA    11      -2.652   7.956  18.236  1.00  0.00              
ATOM    124 HB2  ALA    11      -3.638   8.251  16.787  1.00  0.00              
ATOM    125 HB3  ALA    11      -4.048   9.056  18.311  1.00  0.00              
ATOM    126 C    ALA    11      -4.159   5.648  17.538  1.00  0.00              
ATOM    127 O    ALA    11      -3.528   4.761  18.123  1.00  0.00              
ATOM    128 N    ALA    12      -4.498   5.553  16.247  1.00  0.00              
ATOM    129 H    ALA    12      -4.997   6.329  15.834  1.00  0.00              
ATOM    130 CA   ALA    12      -4.210   4.407  15.374  1.00  0.00              
ATOM    131 HA   ALA    12      -4.560   3.500  15.871  1.00  0.00              
ATOM    132 CB   ALA    12      -5.030   4.589  14.086  1.00  0.00              
ATOM    133 HB1  ALA    12      -4.923   3.715  13.442  1.00  0.00              
ATOM    134 HB2  ALA    12      -6.087   4.705  14.333  1.00  0.00              
ATOM    135 HB3  ALA    12      -4.689   5.473  13.545  1.00  0.00              
ATOM    136 C    ALA    12      -2.703   4.220  15.080  1.00  0.00              
ATOM    137 O    ALA    12      -1.867   5.045  15.457  1.00  0.00              
ATOM    138 N    ILE    13      -2.344   3.129  14.391  1.00  0.00              
ATOM    139 H    ILE    13      -3.072   2.482  14.116  1.00  0.00              
ATOM    140 CA   ILE    13      -0.946   2.796  14.048  1.00  0.00              
ATOM    141 HA   ILE    13      -0.332   2.908  14.943  1.00  0.00              
ATOM    142 CB   ILE    13      -0.847   1.321  13.580  1.00  0.00              
ATOM    143 HB   ILE    13      -1.439   1.217  12.669  1.00  0.00              
ATOM    144 CG2  ILE    13       0.601   0.939  13.225  1.00  0.00              
ATOM    145 HG21 ILE    13       0.938   1.514  12.363  1.00  0.00              
ATOM    146 HG22 ILE    13       1.267   1.138  14.066  1.00  0.00              
ATOM    147 HG23 ILE    13       0.650  -0.121  12.970  1.00  0.00              
ATOM    148 CG1  ILE    13      -1.417   0.311  14.607  1.00  0.00              
ATOM    149 HG12 ILE    13      -2.490   0.473  14.712  1.00  0.00              
ATOM    150 HG13 ILE    13      -1.292  -0.697  14.209  1.00  0.00              
ATOM    151 CD1  ILE    13      -0.788   0.355  16.008  1.00  0.00              
ATOM    152 HD11 ILE    13      -1.249  -0.412  16.630  1.00  0.00              
ATOM    153 HD12 ILE    13       0.283   0.160  15.952  1.00  0.00              
ATOM    154 HD13 ILE    13      -0.960   1.326  16.472  1.00  0.00              
ATOM    155 C    ILE    13      -0.374   3.764  12.997  1.00  0.00              
ATOM    156 O    ILE    13       0.750   4.242  13.139  1.00  0.00              
ATOM    157 N    HIE    14      -1.158   4.106  11.968  1.00  0.00              
ATOM    158 H    HIE    14      -2.071   3.675  11.918  1.00  0.00              
ATOM    159 CA   HIE    14      -0.761   4.966  10.837  1.00  0.00              
ATOM    160 HA   HIE    14       0.279   4.744  10.584  1.00  0.00              
ATOM    161 CB   HIE    14      -1.614   4.603   9.609  1.00  0.00              
ATOM    162 HB2  HIE    14      -2.671   4.743   9.842  1.00  0.00              
ATOM    163 HB3  HIE    14      -1.359   5.271   8.785  1.00  0.00              
ATOM    164 CG   HIE    14      -1.391   3.188   9.138  1.00  0.00              
ATOM    165 ND1  HIE    14      -2.236   2.100   9.373  1.00  0.00              
ATOM    166 CE1  HIE    14      -1.638   1.045   8.791  1.00  0.00              
ATOM    167 HE1  HIE    14      -2.035   0.036   8.783  1.00  0.00              
ATOM    168 NE2  HIE    14      -0.478   1.415   8.219  1.00  0.00              
ATOM    169 HE2  HIE    14       0.143   0.801   7.704  1.00  0.00              
ATOM    170 CD2  HIE    14      -0.301   2.765   8.437  1.00  0.00              
ATOM    171 HD2  HIE    14       0.534   3.382   8.129  1.00  0.00              
ATOM    172 C    HIE    14      -0.802   6.467  11.185  1.00  0.00              
ATOM    173 O    HIE    14      -1.504   7.254  10.544  1.00  0.00              
ATOM    174 N    ARG    15      -0.049   6.857  12.225  1.00  0.00              
ATOM    175 H    ARG    15       0.463   6.114  12.695  1.00  0.00              
ATOM    176 CA   ARG    15      -0.019   8.226  12.802  1.00  0.00              
ATOM    177 HA   ARG    15      -0.641   8.832  12.169  1.00  0.00              
ATOM    178 CB   ARG    15      -0.571   8.181  14.238  1.00  0.00              
ATOM    179 HB2  ARG    15      -0.689   9.202  14.608  1.00  0.00              
ATOM    180 HB3  ARG    15      -1.552   7.703  14.240  1.00  0.00              
ATOM    181 CG   ARG    15       0.381   7.407  15.169  1.00  0.00              
ATOM    182 HG2  ARG    15       0.417   6.358  14.876  1.00  0.00              
ATOM    183 HG3  ARG    15       1.389   7.806  15.079  1.00  0.00              
ATOM    184 CD   ARG    15      -0.047   7.514  16.633  1.00  0.00              
ATOM    185 HD2  ARG    15      -0.110   8.569  16.906  1.00  0.00              
ATOM    186 HD3  ARG    15      -1.038   7.077  16.760  1.00  0.00              
ATOM    187 NE   ARG    15       0.938   6.854  17.511  1.00  0.00              
ATOM    188 HE   ARG    15       1.735   7.414  17.784  1.00  0.00              
ATOM    189 CZ   ARG    15       0.900   5.615  17.972  1.00  0.00              
ATOM    190 NH1  ARG    15      -0.029   4.771  17.622  1.00  0.00              
ATOM    191 HH11 ARG    15      -0.715   5.050  16.927  1.00  0.00              
ATOM    192 HH12 ARG    15      -0.060   3.847  18.015  1.00  0.00              
ATOM    193 NH2  ARG    15       1.811   5.196  18.803  1.00  0.00              
ATOM    194 HH21 ARG    15       2.544   5.817  19.108  1.00  0.00              
ATOM    195 HH22 ARG    15       1.791   4.253  19.155  1.00  0.00              
ATOM    196 C    ARG    15       1.303   8.989  12.724  1.00  0.00              
ATOM    197 O    ARG    15       1.421  10.141  13.142  1.00  0.00              
ATOM    198 N    THR    16       2.281   8.295  12.186  1.00  0.00              
ATOM    199 H    THR    16       1.928   7.454  11.763  1.00  0.00              
ATOM    200 CA   THR    16       3.652   8.739  11.874  1.00  0.00              
ATOM    201 HA   THR    16       3.654   9.823  11.744  1.00  0.00              
ATOM    202 CB   THR    16       4.651   8.400  13.006  1.00  0.00              
ATOM    203 HB   THR    16       5.634   8.774  12.722  1.00  0.00              
ATOM    204 CG2  THR    16       4.307   9.014  14.363  1.00  0.00              
ATOM    205 HG21 THR    16       3.437   8.528  14.801  1.00  0.00              
ATOM    206 HG22 THR    16       5.151   8.893  15.043  1.00  0.00              
ATOM    207 HG23 THR    16       4.108  10.080  14.246  1.00  0.00              
ATOM    208 OG1  THR    16       4.742   7.008  13.180  1.00  0.00              
ATOM    209 HG1  THR    16       5.308   6.848  13.947  1.00  0.00              
ATOM    210 C    THR    16       4.118   8.123  10.548  1.00  0.00              
ATOM    211 O    THR    16       3.438   7.273   9.969  1.00  0.00              
ATOM    212 N    GLN    17       5.313   8.494  10.082  1.00  0.00              
ATOM    213 H    GLN    17       5.810   9.223  10.578  1.00  0.00              
ATOM    214 CA   GLN    17       5.954   7.937   8.879  1.00  0.00              
ATOM    215 HA   GLN    17       5.197   7.932   8.093  1.00  0.00              
ATOM    216 CB   GLN    17       7.071   8.898   8.414  1.00  0.00              
ATOM    217 HB2  GLN    17       7.251   8.719   7.352  1.00  0.00              
ATOM    218 HB3  GLN    17       6.713   9.925   8.503  1.00  0.00              
ATOM    219 CG   GLN    17       8.431   8.777   9.138  1.00  0.00              
ATOM    220 HG2  GLN    17       8.930   7.863   8.817  1.00  0.00              
ATOM    221 HG3  GLN    17       9.060   9.613   8.831  1.00  0.00              
ATOM    222 CD   GLN    17       8.347   8.773  10.663  1.00  0.00              
ATOM    223 OE1  GLN    17       8.507   7.755  11.321  1.00  0.00              
ATOM    224 NE2  GLN    17       8.057   9.896  11.284  1.00  0.00              
ATOM    225 HE21 GLN    17       8.094   9.905  12.293  1.00  0.00              
ATOM    226 HE22 GLN    17       7.970  10.757  10.766  1.00  0.00              
ATOM    227 C    GLN    17       6.460   6.479   9.022  1.00  0.00              
ATOM    228 O    GLN    17       7.130   5.978   8.118  1.00  0.00              
ATOM    229 N    LEU    18       6.123   5.764  10.106  1.00  0.00              
ATOM    230 H    LEU    18       5.528   6.196  10.806  1.00  0.00              
ATOM    231 CA   LEU    18       6.654   4.422  10.407  1.00  0.00              
ATOM    232 HA   LEU    18       7.728   4.552  10.445  1.00  0.00              
ATOM    233 CB   LEU    18       6.196   3.998  11.816  1.00  0.00              
ATOM    234 HB2  LEU    18       6.948   3.308  12.201  1.00  0.00              
ATOM    235 HB3  LEU    18       6.205   4.872  12.469  1.00  0.00              
ATOM    236 CG   LEU    18       4.829   3.286  11.905  1.00  0.00              
ATOM    237 HG   LEU    18       4.876   2.376  11.313  1.00  0.00              
ATOM    238 CD1  LEU    18       4.555   2.884  13.355  1.00  0.00              
ATOM    239 HD11 LEU    18       5.357   2.241  13.716  1.00  0.00              
ATOM    240 HD12 LEU    18       4.491   3.772  13.984  1.00  0.00              
ATOM    241 HD13 LEU    18       3.616   2.335  13.412  1.00  0.00              
ATOM    242 CD2  LEU    18       3.638   4.121  11.425  1.00  0.00              
ATOM    243 HD21 LEU    18       3.536   5.016  12.034  1.00  0.00              
ATOM    244 HD22 LEU    18       3.751   4.402  10.383  1.00  0.00              
ATOM    245 HD23 LEU    18       2.729   3.529  11.516  1.00  0.00              
ATOM    246 C    LEU    18       6.452   3.312   9.354  1.00  0.00              
ATOM    247 O    LEU    18       7.228   2.357   9.313  1.00  0.00              
ATOM    248 N    TRP    19       5.453   3.475   8.489  1.00  0.00              
ATOM    249 H    TRP    19       4.910   4.309   8.630  1.00  0.00              
ATOM    250 CA   TRP    19       5.101   2.571   7.379  1.00  0.00              
ATOM    251 HA   TRP    19       5.880   1.816   7.292  1.00  0.00              
ATOM    252 CB   TRP    19       3.782   1.841   7.696  1.00  0.00              
ATOM    253 HB2  TRP    19       2.986   2.586   7.753  1.00  0.00              
ATOM    254 HB3  TRP    19       3.537   1.173   6.871  1.00  0.00              
ATOM    255 CG   TRP    19       3.757   1.014   8.950  1.00  0.00              
ATOM    256 CD1  TRP    19       2.774   1.052   9.878  1.00  0.00              
ATOM    257 HD1  TRP    19       1.893   1.681   9.826  1.00  0.00              
ATOM    258 NE1  TRP    19       3.059   0.167  10.898  1.00  0.00              
ATOM    259 HE1  TRP    19       2.417  -0.036  11.652  1.00  0.00              
ATOM    260 CE2  TRP    19       4.257  -0.476  10.695  1.00  0.00              
ATOM    261 CZ2  TRP    19       4.954  -1.441  11.438  1.00  0.00              
ATOM    262 HZ2  TRP    19       4.568  -1.780  12.390  1.00  0.00              
ATOM    263 CH2  TRP    19       6.147  -1.970  10.921  1.00  0.00              
ATOM    264 HH2  TRP    19       6.699  -2.718  11.477  1.00  0.00              
ATOM    265 CZ3  TRP    19       6.616  -1.534   9.669  1.00  0.00              
ATOM    266 HZ3  TRP    19       7.529  -1.952   9.265  1.00  0.00              
ATOM    267 CE3  TRP    19       5.906  -0.566   8.931  1.00  0.00              
ATOM    268 HE3  TRP    19       6.283  -0.255   7.969  1.00  0.00              
ATOM    269 CD2  TRP    19       4.711   0.006   9.428  1.00  0.00              
ATOM    270 C    TRP    19       5.075   3.284   6.009  1.00  0.00              
ATOM    271 O    TRP    19       4.423   2.817   5.070  1.00  0.00              
ATOM    272 N    PHE    20       5.782   4.416   5.896  1.00  0.00              
ATOM    273 H    PHE    20       6.332   4.720   6.693  1.00  0.00              
ATOM    274 CA   PHE    20       5.796   5.289   4.719  1.00  0.00              
ATOM    275 HA   PHE    20       5.275   4.791   3.903  1.00  0.00              
ATOM    276 CB   PHE    20       5.021   6.581   5.033  1.00  0.00              
ATOM    277 HB2  PHE    20       5.523   7.102   5.848  1.00  0.00              
ATOM    278 HB3  PHE    20       5.067   7.227   4.156  1.00  0.00              
ATOM    279 CG   PHE    20       3.556   6.392   5.408  1.00  0.00              
ATOM    280 CD1  PHE    20       3.188   6.140   6.745  1.00  0.00              
ATOM    281 HD1  PHE    20       3.944   6.071   7.511  1.00  0.00              
ATOM    282 CE1  PHE    20       1.835   5.984   7.096  1.00  0.00              
ATOM    283 HE1  PHE    20       1.563   5.801   8.127  1.00  0.00              
ATOM    284 CZ   PHE    20       0.838   6.083   6.110  1.00  0.00              
ATOM    285 HZ   PHE    20      -0.204   5.967   6.378  1.00  0.00              
ATOM    286 CE2  PHE    20       1.197   6.344   4.776  1.00  0.00              
ATOM    287 HE2  PHE    20       0.431   6.426   4.017  1.00  0.00              
ATOM    288 CD2  PHE    20       2.552   6.496   4.426  1.00  0.00              
ATOM    289 HD2  PHE    20       2.820   6.694   3.397  1.00  0.00              
ATOM    290 C    PHE    20       7.232   5.586   4.239  1.00  0.00              
ATOM    291 O    PHE    20       8.087   6.037   5.004  1.00  0.00              
ATOM    292 N    HIE    21       7.490   5.327   2.954  1.00  0.00              
ATOM    293 H    HIE    21       6.719   5.001   2.386  1.00  0.00              
ATOM    294 CA   HIE    21       8.759   5.564   2.237  1.00  0.00              
ATOM    295 HA   HIE    21       9.355   6.317   2.757  1.00  0.00              
ATOM    296 CB   HIE    21       9.533   4.230   2.191  1.00  0.00              
ATOM    297 HB2  HIE    21       9.389   3.681   3.128  1.00  0.00              
ATOM    298 HB3  HIE    21       9.122   3.592   1.416  1.00  0.00              
ATOM    299 CG   HIE    21      11.002   4.386   1.895  1.00  0.00              
ATOM    300 ND1  HIE    21      11.546   4.650   0.634  1.00  0.00              
ATOM    301 CE1  HIE    21      12.879   4.686   0.812  1.00  0.00              
ATOM    302 HE1  HIE    21      13.606   4.865   0.029  1.00  0.00              
ATOM    303 NE2  HIE    21      13.186   4.469   2.102  1.00  0.00              
ATOM    304 HE2  HIE    21      14.126   4.447   2.484  1.00  0.00              
ATOM    305 CD2  HIE    21      12.014   4.276   2.802  1.00  0.00              
ATOM    306 HD2  HIE    21      11.909   4.070   3.860  1.00  0.00              
ATOM    307 C    HIE    21       8.442   6.071   0.820  1.00  0.00              
ATOM    308 O    HIE    21       7.348   5.776   0.342  1.00  0.00              
ATOM    309 N    GLY    22       9.299   6.791   0.085  1.00  0.00              
ATOM    310 H    GLY    22      10.196   7.138   0.407  1.00  0.00              
ATOM    311 CA   GLY    22       8.966   7.129  -1.290  1.00  0.00              
ATOM    312 HA2  GLY    22       8.288   6.376  -1.674  1.00  0.00              
ATOM    313 HA3  GLY    22       8.401   8.051  -1.331  1.00  0.00              
ATOM    314 C    GLY    22      10.146   7.058  -2.244  1.00  0.00              
ATOM    315 O    GLY    22      10.209   7.839  -3.178  1.00  0.00              
ATOM    316 N    ARG    23      11.098   6.144  -2.015  1.00  0.00              
ATOM    317 H    ARG    23      11.025   5.590  -1.162  1.00  0.00              
ATOM    318 CA   ARG    23      12.228   5.871  -2.928  1.00  0.00              
ATOM    319 HA   ARG    23      11.841   6.046  -3.940  1.00  0.00              
ATOM    320 CB   ARG    23      13.410   6.840  -2.682  1.00  0.00              
ATOM    321 HB2  ARG    23      13.018   7.857  -2.632  1.00  0.00              
ATOM    322 HB3  ARG    23      13.888   6.613  -1.728  1.00  0.00              
ATOM    323 CG   ARG    23      14.449   6.768  -3.825  1.00  0.00              
ATOM    324 HG2  ARG    23      15.011   5.839  -3.767  1.00  0.00              
ATOM    325 HG3  ARG    23      13.926   6.779  -4.782  1.00  0.00              
ATOM    326 CD   ARG    23      15.451   7.927  -3.823  1.00  0.00              
ATOM    327 HD2  ARG    23      16.054   7.869  -4.733  1.00  0.00              
ATOM    328 HD3  ARG    23      14.902   8.865  -3.871  1.00  0.00              
ATOM    329 NE   ARG    23      16.308   7.927  -2.618  1.00  0.00              
ATOM    330 HE   ARG    23      16.012   8.524  -1.860  1.00  0.00              
ATOM    331 CZ   ARG    23      17.434   7.259  -2.425  1.00  0.00              
ATOM    332 NH1  ARG    23      17.939   6.462  -3.326  1.00  0.00              
ATOM    333 HH11 ARG    23      17.463   6.347  -4.204  1.00  0.00              
ATOM    334 HH12 ARG    23      18.798   5.968  -3.153  1.00  0.00              
ATOM    335 NH2  ARG    23      18.083   7.380  -1.302  1.00  0.00              
ATOM    336 HH21 ARG    23      17.734   7.986  -0.577  1.00  0.00              
ATOM    337 HH22 ARG    23      18.941   6.875  -1.151  1.00  0.00              
ATOM    338 C    ARG    23      12.599   4.380  -2.894  1.00  0.00              
ATOM    339 O    ARG    23      13.755   3.986  -2.751  1.00  0.00              
ATOM    340 N    ILE    24      11.567   3.545  -3.003  1.00  0.00              
ATOM    341 H    ILE    24      10.639   3.953  -3.053  1.00  0.00              
ATOM    342 CA   ILE    24      11.680   2.084  -3.108  1.00  0.00              
ATOM    343 HA   ILE    24      12.656   1.858  -3.544  1.00  0.00              
ATOM    344 CB   ILE    24      11.681   1.435  -1.700  1.00  0.00              
ATOM    345 HB   ILE    24      12.413   1.980  -1.099  1.00  0.00              
ATOM    346 CG2  ILE    24      10.344   1.567  -0.962  1.00  0.00              
ATOM    347 HG21 ILE    24       9.646   0.840  -1.367  1.00  0.00              
ATOM    348 HG22 ILE    24      10.487   1.369   0.101  1.00  0.00              
ATOM    349 HG23 ILE    24       9.945   2.576  -1.068  1.00  0.00              
ATOM    350 CG1  ILE    24      12.177  -0.025  -1.806  1.00  0.00              
ATOM    351 HG12 ILE    24      11.590  -0.557  -2.550  1.00  0.00              
ATOM    352 HG13 ILE    24      13.210  -0.012  -2.155  1.00  0.00              
ATOM    353 CD1  ILE    24      12.130  -0.823  -0.496  1.00  0.00              
ATOM    354 HD11 ILE    24      11.102  -0.937  -0.152  1.00  0.00              
ATOM    355 HD12 ILE    24      12.541  -1.816  -0.671  1.00  0.00              
ATOM    356 HD13 ILE    24      12.720  -0.319   0.270  1.00  0.00              
ATOM    357 C    ILE    24      10.652   1.593  -4.142  1.00  0.00              
ATOM    358 O    ILE    24       9.681   0.899  -3.845  1.00  0.00              
ATOM    359 N    SER    25      10.854   2.060  -5.379  1.00  0.00              
ATOM    360 H    SER    25      11.684   2.622  -5.520  1.00  0.00              
ATOM    361 CA   SER    25       9.988   1.847  -6.554  1.00  0.00              
ATOM    362 HA   SER    25       9.078   2.434  -6.423  1.00  0.00              
ATOM    363 CB   SER    25      10.727   2.365  -7.799  1.00  0.00              
ATOM    364 HB2  SER    25      11.013   3.405  -7.640  1.00  0.00              
ATOM    365 HB3  SER    25      11.633   1.777  -7.956  1.00  0.00              
ATOM    366 OG   SER    25       9.921   2.290  -8.957  1.00  0.00              
ATOM    367 HG   SER    25       9.071   2.801  -8.774  1.00  0.00              
ATOM    368 C    SER    25       9.587   0.379  -6.734  1.00  0.00              
ATOM    369 O    SER    25      10.317  -0.518  -6.317  1.00  0.00              
ATOM    370 N    ARG    26       8.437   0.125  -7.368  1.00  0.00              
ATOM    371 H    ARG    26       7.868   0.942  -7.607  1.00  0.00              
ATOM    372 CA   ARG    26       7.805  -1.202  -7.555  1.00  0.00              
ATOM    373 HA   ARG    26       7.384  -1.492  -6.591  1.00  0.00              
ATOM    374 CB   ARG    26       6.625  -1.046  -8.545  1.00  0.00              
ATOM    375 HB2  ARG    26       6.018  -1.945  -8.491  1.00  0.00              
ATOM    376 HB3  ARG    26       5.992  -0.223  -8.208  1.00  0.00              
ATOM    377 CG   ARG    26       6.957  -0.835 -10.033  1.00  0.00              
ATOM    378 HG2  ARG    26       7.491  -1.712 -10.403  1.00  0.00              
ATOM    379 HG3  ARG    26       6.013  -0.771 -10.573  1.00  0.00              
ATOM    380 CD   ARG    26       7.784   0.418 -10.352  1.00  0.00              
ATOM    381 HD2  ARG    26       7.314   1.292  -9.899  1.00  0.00              
ATOM    382 HD3  ARG    26       8.775   0.287  -9.922  1.00  0.00              
ATOM    383 NE   ARG    26       7.916   0.633 -11.805  1.00  0.00              
ATOM    384 HE   ARG    26       7.185   0.265 -12.397  1.00  0.00              
ATOM    385 CZ   ARG    26       8.894   1.258 -12.432  1.00  0.00              
ATOM    386 NH1  ARG    26       9.857   1.881 -11.808  1.00  0.00              
ATOM    387 HH11 ARG    26       9.878   1.898 -10.792  1.00  0.00              
ATOM    388 HH12 ARG    26      10.621   2.287 -12.320  1.00  0.00              
ATOM    389 NH2  ARG    26       8.893   1.293 -13.729  1.00  0.00              
ATOM    390 HH21 ARG    26       9.638   1.728 -14.241  1.00  0.00              
ATOM    391 HH22 ARG    26       8.164   0.772 -14.223  1.00  0.00              
ATOM    392 C    ARG    26       8.733  -2.372  -7.913  1.00  0.00              
ATOM    393 O    ARG    26       8.535  -3.481  -7.420  1.00  0.00              
ATOM    394 N    GLU    27       9.777  -2.124  -8.703  1.00  0.00              
ATOM    395 H    GLU    27       9.902  -1.177  -9.026  1.00  0.00              
ATOM    396 CA   GLU    27      10.765  -3.142  -9.092  1.00  0.00              
ATOM    397 HA   GLU    27      10.241  -4.061  -9.353  1.00  0.00              
ATOM    398 CB   GLU    27      11.534  -2.665 -10.334  1.00  0.00              
ATOM    399 HB2  GLU    27      12.014  -1.709 -10.123  1.00  0.00              
ATOM    400 HB3  GLU    27      12.312  -3.394 -10.557  1.00  0.00              
ATOM    401 CG   GLU    27      10.635  -2.520 -11.569  1.00  0.00              
ATOM    402 HG2  GLU    27      10.061  -3.440 -11.704  1.00  0.00              
ATOM    403 HG3  GLU    27       9.928  -1.703 -11.413  1.00  0.00              
ATOM    404 CD   GLU    27      11.485  -2.254 -12.824  1.00  0.00              
ATOM    405 OE1  GLU    27      11.606  -1.079 -13.248  1.00  0.00              
ATOM    406 OE2  GLU    27      12.047  -3.227 -13.385  1.00  0.00              
ATOM    407 C    GLU    27      11.753  -3.497  -7.962  1.00  0.00              
ATOM    408 O    GLU    27      12.184  -4.645  -7.857  1.00  0.00              
ATOM    409 N    GLU    28      12.116  -2.530  -7.112  1.00  0.00              
ATOM    410 H    GLU    28      11.673  -1.622  -7.212  1.00  0.00              
ATOM    411 CA   GLU    28      12.960  -2.737  -5.926  1.00  0.00              
ATOM    412 HA   GLU    28      13.700  -3.497  -6.162  1.00  0.00              
ATOM    413 CB   GLU    28      13.701  -1.433  -5.584  1.00  0.00              
ATOM    414 HB2  GLU    28      14.216  -1.072  -6.475  1.00  0.00              
ATOM    415 HB3  GLU    28      12.971  -0.678  -5.287  1.00  0.00              
ATOM    416 CG   GLU    28      14.732  -1.583  -4.454  1.00  0.00              
ATOM    417 HG2  GLU    28      15.098  -0.585  -4.200  1.00  0.00              
ATOM    418 HG3  GLU    28      14.249  -1.982  -3.560  1.00  0.00              
ATOM    419 CD   GLU    28      15.920  -2.476  -4.862  1.00  0.00              
ATOM    420 OE1  GLU    28      15.818  -3.724  -4.815  1.00  0.00              
ATOM    421 OE2  GLU    28      16.992  -1.951  -5.245  1.00  0.00              
ATOM    422 C    GLU    28      12.164  -3.269  -4.729  1.00  0.00              
ATOM    423 O    GLU    28      12.564  -4.243  -4.092  1.00  0.00              
ATOM    424 N    SER    29      11.003  -2.680  -4.425  1.00  0.00              
ATOM    425 H    SER    29      10.670  -1.909  -4.999  1.00  0.00              
ATOM    426 CA   SER    29      10.215  -3.095  -3.254  1.00  0.00              
ATOM    427 HA   SER    29      10.879  -3.084  -2.388  1.00  0.00              
ATOM    428 CB   SER    29       9.081  -2.115  -2.940  1.00  0.00              
ATOM    429 HB2  SER    29       8.337  -2.603  -2.312  1.00  0.00              
ATOM    430 HB3  SER    29       9.493  -1.277  -2.384  1.00  0.00              
ATOM    431 OG   SER    29       8.473  -1.619  -4.113  1.00  0.00              
ATOM    432 HG   SER    29       8.836  -0.725  -4.259  1.00  0.00              
ATOM    433 C    SER    29       9.715  -4.534  -3.372  1.00  0.00              
ATOM    434 O    SER    29       9.688  -5.237  -2.366  1.00  0.00              
ATOM    435 N    GLN    30       9.434  -5.043  -4.579  1.00  0.00              
ATOM    436 H    GLN    30       9.486  -4.435  -5.391  1.00  0.00              
ATOM    437 CA   GLN    30       9.061  -6.458  -4.745  1.00  0.00              
ATOM    438 HA   GLN    30       8.343  -6.682  -3.954  1.00  0.00              
ATOM    439 CB   GLN    30       8.315  -6.686  -6.068  1.00  0.00              
ATOM    440 HB2  GLN    30       7.798  -7.644  -6.006  1.00  0.00              
ATOM    441 HB3  GLN    30       7.560  -5.909  -6.172  1.00  0.00              
ATOM    442 CG   GLN    30       9.187  -6.716  -7.332  1.00  0.00              
ATOM    443 HG2  GLN    30       9.883  -5.880  -7.301  1.00  0.00              
ATOM    444 HG3  GLN    30       9.757  -7.645  -7.353  1.00  0.00              
ATOM    445 CD   GLN    30       8.373  -6.611  -8.628  1.00  0.00              
ATOM    446 OE1  GLN    30       8.880  -6.209  -9.666  1.00  0.00              
ATOM    447 NE2  GLN    30       7.106  -6.977  -8.650  1.00  0.00              
ATOM    448 HE21 GLN    30       6.621  -7.289  -7.824  1.00  0.00              
ATOM    449 HE22 GLN    30       6.589  -6.733  -9.490  1.00  0.00              
ATOM    450 C    GLN    30      10.233  -7.439  -4.526  1.00  0.00              
ATOM    451 O    GLN    30       9.993  -8.621  -4.287  1.00  0.00              
ATOM    452 N    ARG    31      11.491  -6.966  -4.548  1.00  0.00              
ATOM    453 H    ARG    31      11.632  -5.980  -4.750  1.00  0.00              
ATOM    454 CA   ARG    31      12.686  -7.776  -4.240  1.00  0.00              
ATOM    455 HA   ARG    31      12.535  -8.786  -4.631  1.00  0.00              
ATOM    456 CB   ARG    31      13.908  -7.171  -4.963  1.00  0.00              
ATOM    457 HB2  ARG    31      13.674  -7.094  -6.026  1.00  0.00              
ATOM    458 HB3  ARG    31      14.110  -6.170  -4.583  1.00  0.00              
ATOM    459 CG   ARG    31      15.178  -8.020  -4.797  1.00  0.00              
ATOM    460 HG2  ARG    31      15.558  -7.919  -3.779  1.00  0.00              
ATOM    461 HG3  ARG    31      14.924  -9.068  -4.965  1.00  0.00              
ATOM    462 CD   ARG    31      16.290  -7.646  -5.788  1.00  0.00              
ATOM    463 HD2  ARG    31      17.098  -8.367  -5.654  1.00  0.00              
ATOM    464 HD3  ARG    31      15.907  -7.751  -6.805  1.00  0.00              
ATOM    465 NE   ARG    31      16.810  -6.274  -5.601  1.00  0.00              
ATOM    466 HE   ARG    31      16.192  -5.561  -5.216  1.00  0.00              
ATOM    467 CZ   ARG    31      18.002  -5.828  -5.952  1.00  0.00              
ATOM    468 NH1  ARG    31      18.921  -6.590  -6.479  1.00  0.00              
ATOM    469 HH11 ARG    31      19.820  -6.213  -6.734  1.00  0.00              
ATOM    470 HH12 ARG    31      18.723  -7.563  -6.639  1.00  0.00              
ATOM    471 NH2  ARG    31      18.280  -4.573  -5.775  1.00  0.00              
ATOM    472 HH21 ARG    31      17.530  -3.971  -5.418  1.00  0.00              
ATOM    473 HH22 ARG    31      19.167  -4.184  -6.039  1.00  0.00              
ATOM    474 C    ARG    31      12.892  -7.927  -2.724  1.00  0.00              
ATOM    475 O    ARG    31      13.290  -8.997  -2.267  1.00  0.00              
ATOM    476 N    LEU    32      12.567  -6.888  -1.944  1.00  0.00              
ATOM    477 H    LEU    32      12.288  -6.034  -2.411  1.00  0.00              
ATOM    478 CA   LEU    32      12.712  -6.870  -0.477  1.00  0.00              
ATOM    479 HA   LEU    32      13.527  -7.536  -0.192  1.00  0.00              
ATOM    480 CB   LEU    32      13.089  -5.448  -0.008  1.00  0.00              
ATOM    481 HB2  LEU    32      12.503  -4.705  -0.551  1.00  0.00              
ATOM    482 HB3  LEU    32      12.824  -5.367   1.048  1.00  0.00              
ATOM    483 CG   LEU    32      14.592  -5.121  -0.123  1.00  0.00              
ATOM    484 HG   LEU    32      15.148  -5.870   0.436  1.00  0.00              
ATOM    485 CD1  LEU    32      15.126  -5.100  -1.556  1.00  0.00              
ATOM    486 HD11 LEU    32      15.116  -6.103  -1.974  1.00  0.00              
ATOM    487 HD12 LEU    32      14.520  -4.437  -2.174  1.00  0.00              
ATOM    488 HD13 LEU    32      16.158  -4.747  -1.564  1.00  0.00              
ATOM    489 CD2  LEU    32      14.888  -3.756   0.498  1.00  0.00              
ATOM    490 HD21 LEU    32      15.965  -3.591   0.530  1.00  0.00              
ATOM    491 HD22 LEU    32      14.424  -2.969  -0.092  1.00  0.00              
ATOM    492 HD23 LEU    32      14.498  -3.719   1.514  1.00  0.00              
ATOM    493 C    LEU    32      11.462  -7.404   0.250  1.00  0.00              
ATOM    494 O    LEU    32      11.575  -8.249   1.140  1.00  0.00              
ATOM    495 N    ILE    33      10.261  -6.979  -0.163  1.00  0.00              
ATOM    496 H    ILE    33      10.225  -6.276  -0.896  1.00  0.00              
ATOM    497 CA   ILE    33       8.979  -7.420   0.423  1.00  0.00              
ATOM    498 HA   ILE    33       9.133  -7.563   1.492  1.00  0.00              
ATOM    499 CB   ILE    33       7.904  -6.300   0.282  1.00  0.00              
ATOM    500 HB   ILE    33       7.882  -5.952  -0.750  1.00  0.00              
ATOM    501 CG2  ILE    33       6.486  -6.797   0.619  1.00  0.00              
ATOM    502 HG21 ILE    33       6.491  -7.276   1.600  1.00  0.00              
ATOM    503 HG22 ILE    33       5.775  -5.969   0.624  1.00  0.00              
ATOM    504 HG23 ILE    33       6.146  -7.508  -0.134  1.00  0.00              
ATOM    505 CG1  ILE    33       8.142  -5.084   1.216  1.00  0.00              
ATOM    506 HG12 ILE    33       7.309  -4.389   1.094  1.00  0.00              
ATOM    507 HG13 ILE    33       8.128  -5.430   2.250  1.00  0.00              
ATOM    508 CD1  ILE    33       9.420  -4.263   1.003  1.00  0.00              
ATOM    509 HD11 ILE    33       9.519  -3.984  -0.045  1.00  0.00              
ATOM    510 HD12 ILE    33       9.362  -3.353   1.602  1.00  0.00              
ATOM    511 HD13 ILE    33      10.293  -4.825   1.328  1.00  0.00              
ATOM    512 C    ILE    33       8.551  -8.805  -0.125  1.00  0.00              
ATOM    513 O    ILE    33       7.684  -9.467   0.445  1.00  0.00              
ATOM    514 N    GLY    34       9.237  -9.335  -1.148  1.00  0.00              
ATOM    515 H    GLY    34       9.959  -8.775  -1.580  1.00  0.00              
ATOM    516 CA   GLY    34       8.852 -10.583  -1.827  1.00  0.00              
ATOM    517 HA2  GLY    34       7.785 -10.749  -1.714  1.00  0.00              
ATOM    518 HA3  GLY    34       9.063 -10.490  -2.886  1.00  0.00              
ATOM    519 C    GLY    34       9.560 -11.845  -1.341  1.00  0.00              
ATOM    520 O    GLY    34       9.266 -12.933  -1.837  1.00  0.00              
ATOM    521 N    GLN    35      10.463 -11.724  -0.361  1.00  0.00              
ATOM    522 H    GLN    35      10.696 -10.800  -0.020  1.00  0.00              
ATOM    523 CA   GLN    35      11.094 -12.888   0.277  1.00  0.00              
ATOM    524 HA   GLN    35      11.260 -13.658  -0.479  1.00  0.00              
ATOM    525 CB   GLN    35      12.468 -12.470   0.836  1.00  0.00              
ATOM    526 HB2  GLN    35      13.016 -11.944   0.052  1.00  0.00              
ATOM    527 HB3  GLN    35      12.337 -11.789   1.678  1.00  0.00              
ATOM    528 CG   GLN    35      13.308 -13.679   1.277  1.00  0.00              
ATOM    529 HG2  GLN    35      12.833 -14.158   2.133  1.00  0.00              
ATOM    530 HG3  GLN    35      13.353 -14.401   0.462  1.00  0.00              
ATOM    531 CD   GLN    35      14.734 -13.286   1.660  1.00  0.00              
ATOM    532 OE1  GLN    35      15.649 -13.284   0.846  1.00  0.00              
ATOM    533 NE2  GLN    35      14.984 -12.940   2.906  1.00  0.00              
ATOM    534 HE21 GLN    35      15.926 -12.671   3.146  1.00  0.00              
ATOM    535 HE22 GLN    35      14.247 -12.927   3.595  1.00  0.00              
ATOM    536 C    GLN    35      10.130 -13.476   1.342  1.00  0.00              
ATOM    537 O    GLN    35      10.305 -14.604   1.807  1.00  0.00              
ATOM    538 N    GLN    36       9.091 -12.709   1.709  1.00  0.00              
ATOM    539 H    GLN    36       8.973 -11.835   1.233  1.00  0.00              
ATOM    540 CA   GLN    36       8.005 -13.082   2.606  1.00  0.00              
ATOM    541 HA   GLN    36       8.456 -13.700   3.367  1.00  0.00              
ATOM    542 CB   GLN    36       7.422 -11.835   3.300  1.00  0.00              
ATOM    543 HB2  GLN    36       7.064 -11.139   2.545  1.00  0.00              
ATOM    544 HB3  GLN    36       6.562 -12.150   3.890  1.00  0.00              
ATOM    545 CG   GLN    36       8.385 -11.095   4.245  1.00  0.00              
ATOM    546 HG2  GLN    36       7.816 -10.723   5.098  1.00  0.00              
ATOM    547 HG3  GLN    36       9.139 -11.786   4.624  1.00  0.00              
ATOM    548 CD   GLN    36       9.066  -9.899   3.582  1.00  0.00              
ATOM    549 OE1  GLN    36       8.593  -8.773   3.631  1.00  0.00              
ATOM    550 NE2  GLN    36      10.199 -10.104   2.946  1.00  0.00              
ATOM    551 HE21 GLN    36      10.651  -9.310   2.497  1.00  0.00              
ATOM    552 HE22 GLN    36      10.629 -11.013   2.985  1.00  0.00              
ATOM    553 C    GLN    36       6.894 -13.874   1.872  1.00  0.00              
ATOM    554 O    GLN    36       6.739 -13.754   0.654  1.00  0.00              
ATOM    555 N    GLY    37       6.103 -14.662   2.614  1.00  0.00              
ATOM    556 H    GLY    37       6.312 -14.749   3.601  1.00  0.00              
ATOM    557 CA   GLY    37       4.998 -15.486   2.081  1.00  0.00              
ATOM    558 HA2  GLY    37       4.690 -15.102   1.108  1.00  0.00              
ATOM    559 HA3  GLY    37       5.356 -16.507   1.941  1.00  0.00              
ATOM    560 C    GLY    37       3.741 -15.526   2.964  1.00  0.00              
ATOM    561 O    GLY    37       3.100 -16.575   3.068  1.00  0.00              
ATOM    562 N    LEU    38       3.434 -14.426   3.663  1.00  0.00              
ATOM    563 H    LEU    38       3.947 -13.579   3.452  1.00  0.00              
ATOM    564 CA   LEU    38       2.330 -14.329   4.636  1.00  0.00              
ATOM    565 HA   LEU    38       2.247 -15.275   5.174  1.00  0.00              
ATOM    566 CB   LEU    38       2.681 -13.213   5.652  1.00  0.00              
ATOM    567 HB2  LEU    38       3.088 -12.361   5.104  1.00  0.00              
ATOM    568 HB3  LEU    38       1.766 -12.861   6.127  1.00  0.00              
ATOM    569 CG   LEU    38       3.646 -13.567   6.805  1.00  0.00              
ATOM    570 HG   LEU    38       3.783 -12.662   7.398  1.00  0.00              
ATOM    571 CD1  LEU    38       3.066 -14.636   7.733  1.00  0.00              
ATOM    572 HD11 LEU    38       2.077 -14.331   8.077  1.00  0.00              
ATOM    573 HD12 LEU    38       2.993 -15.595   7.221  1.00  0.00              
ATOM    574 HD13 LEU    38       3.714 -14.753   8.602  1.00  0.00              
ATOM    575 CD2  LEU    38       5.029 -14.024   6.343  1.00  0.00              
ATOM    576 HD21 LEU    38       5.684 -14.130   7.208  1.00  0.00              
ATOM    577 HD22 LEU    38       4.963 -14.985   5.834  1.00  0.00              
ATOM    578 HD23 LEU    38       5.456 -13.276   5.675  1.00  0.00              
ATOM    579 C    LEU    38       0.952 -14.104   3.962  1.00  0.00              
ATOM    580 O    LEU    38       0.844 -14.054   2.735  1.00  0.00              
ATOM    581 N    VAL    39      -0.117 -13.988   4.768  1.00  0.00              
ATOM    582 H    VAL    39       0.027 -14.086   5.762  1.00  0.00              
ATOM    583 CA   VAL    39      -1.482 -13.650   4.296  1.00  0.00              
ATOM    584 HA   VAL    39      -1.851 -14.404   3.624  1.00  0.00              
ATOM    585 CB   VAL    39      -2.508 -13.527   5.442  1.00  0.00              
ATOM    586 HB   VAL    39      -3.466 -13.244   5.006  1.00  0.00              
ATOM    587 CG1  VAL    39      -2.708 -14.878   6.136  1.00  0.00              
ATOM    588 HG11 VAL    39      -1.792 -15.190   6.639  1.00  0.00              
ATOM    589 HG12 VAL    39      -3.507 -14.798   6.873  1.00  0.00              
ATOM    590 HG13 VAL    39      -2.988 -15.634   5.401  1.00  0.00              
ATOM    591 CG2  VAL    39      -2.146 -12.471   6.495  1.00  0.00              
ATOM    592 HG21 VAL    39      -2.937 -12.417   7.245  1.00  0.00              
ATOM    593 HG22 VAL    39      -1.209 -12.726   6.991  1.00  0.00              
ATOM    594 HG23 VAL    39      -2.052 -11.490   6.030  1.00  0.00              
ATOM    595 C    VAL    39      -1.485 -12.408   3.424  1.00  0.00              
ATOM    596 O    VAL    39      -0.682 -11.506   3.644  1.00  0.00              
ATOM    597 N    ASP    40      -2.430 -12.369   2.473  1.00  0.00              
ATOM    598 H    ASP    40      -2.992 -13.208   2.353  1.00  0.00              
ATOM    599 CA   ASP    40      -2.649 -11.375   1.405  1.00  0.00              
ATOM    600 HA   ASP    40      -2.016 -11.604   0.573  1.00  0.00              
ATOM    601 CB   ASP    40      -4.103 -11.479   0.927  1.00  0.00              
ATOM    602 HB2  ASP    40      -4.762 -11.272   1.769  1.00  0.00              
ATOM    603 HB3  ASP    40      -4.254 -10.705   0.176  1.00  0.00              
ATOM    604 CG   ASP    40      -4.506 -12.816   0.299  1.00  0.00              
ATOM    605 OD1  ASP    40      -4.048 -13.879   0.774  1.00  0.00              
ATOM    606 OD2  ASP    40      -5.323 -12.782  -0.648  1.00  0.00              
ATOM    607 C    ASP    40      -2.449  -9.904   1.782  1.00  0.00              
ATOM    608 O    ASP    40      -2.269  -9.035   0.930  1.00  0.00              
ATOM    609 N    GLY    41      -2.536  -9.659   3.077  1.00  0.00              
ATOM    610 H    GLY    41      -2.516 -10.511   3.648  1.00  0.00              
ATOM    611 CA   GLY    41      -2.512  -8.361   3.722  1.00  0.00              
ATOM    612 HA2  GLY    41      -2.896  -7.576   3.077  1.00  0.00              
ATOM    613 HA3  GLY    41      -3.232  -8.439   4.499  1.00  0.00              
ATOM    614 C    GLY    41      -1.231  -7.851   4.363  1.00  0.00              
ATOM    615 O    GLY    41      -1.356  -6.901   5.125  1.00  0.00              
ATOM    616 N    LEU    42      -0.020  -8.329   4.071  1.00  0.00              
ATOM    617 H    LEU    42       0.062  -9.120   3.433  1.00  0.00              
ATOM    618 CA   LEU    42       1.168  -7.855   4.822  1.00  0.00              
ATOM    619 HA   LEU    42       0.870  -7.444   5.785  1.00  0.00              
ATOM    620 CB   LEU    42       2.162  -9.018   5.068  1.00  0.00              
ATOM    621 HB2  LEU    42       1.987  -9.807   4.335  1.00  0.00              
ATOM    622 HB3  LEU    42       3.183  -8.665   4.916  1.00  0.00              
ATOM    623 CG   LEU    42       2.117  -9.641   6.473  1.00  0.00              
ATOM    624 HG   LEU    42       2.804 -10.484   6.484  1.00  0.00              
ATOM    625 CD1  LEU    42       2.584  -8.669   7.558  1.00  0.00              
ATOM    626 HD11 LEU    42       1.932  -7.801   7.620  1.00  0.00              
ATOM    627 HD12 LEU    42       2.588  -9.176   8.523  1.00  0.00              
ATOM    628 HD13 LEU    42       3.600  -8.341   7.339  1.00  0.00              
ATOM    629 CD2  LEU    42       0.724 -10.159   6.820  1.00  0.00              
ATOM    630 HD21 LEU    42       0.396 -10.856   6.049  1.00  0.00              
ATOM    631 HD22 LEU    42       0.750 -10.678   7.780  1.00  0.00              
ATOM    632 HD23 LEU    42       0.019  -9.334   6.875  1.00  0.00              
ATOM    633 C    LEU    42       1.738  -6.696   4.001  1.00  0.00              
ATOM    634 O    LEU    42       2.709  -6.805   3.260  1.00  0.00              
ATOM    635 N    PHE    43       1.075  -5.550   4.150  1.00  0.00              
ATOM    636 H    PHE    43       0.310  -5.527   4.821  1.00  0.00              
ATOM    637 CA   PHE    43       1.328  -4.352   3.359  1.00  0.00              
ATOM    638 HA   PHE    43       1.877  -4.698   2.485  1.00  0.00              
ATOM    639 CB   PHE    43      -0.037  -3.858   2.849  1.00  0.00              
ATOM    640 HB2  PHE    43       0.018  -3.688   1.779  1.00  0.00              
ATOM    641 HB3  PHE    43      -0.743  -4.664   2.863  1.00  0.00              
ATOM    642 CG   PHE    43      -0.683  -2.733   3.648  1.00  0.00              
ATOM    643 CD1  PHE    43      -0.937  -1.471   3.083  1.00  0.00              
ATOM    644 HD1  PHE    43      -0.611  -1.249   2.082  1.00  0.00              
ATOM    645 CE1  PHE    43      -1.640  -0.498   3.820  1.00  0.00              
ATOM    646 HE1  PHE    43      -1.899   0.445   3.365  1.00  0.00              
ATOM    647 CZ   PHE    43      -2.022  -0.748   5.148  1.00  0.00              
ATOM    648 HZ   PHE    43      -2.553   0.008   5.712  1.00  0.00              
ATOM    649 CE2  PHE    43      -1.721  -1.986   5.735  1.00  0.00              
ATOM    650 HE2  PHE    43      -2.017  -2.190   6.755  1.00  0.00              
ATOM    651 CD2  PHE    43      -1.070  -2.975   4.978  1.00  0.00              
ATOM    652 HD2  PHE    43      -0.884  -3.939   5.416  1.00  0.00              
ATOM    653 C    PHE    43       2.175  -3.214   3.960  1.00  0.00              
ATOM    654 O    PHE    43       2.510  -3.183   5.149  1.00  0.00              
ATOM    655 N    LEU    44       2.499  -2.275   3.063  1.00  0.00              
ATOM    656 H    LEU    44       2.167  -2.463   2.121  1.00  0.00              
ATOM    657 CA   LEU    44       3.197  -0.994   3.266  1.00  0.00              
ATOM    658 HA   LEU    44       3.095  -0.698   4.311  1.00  0.00              
ATOM    659 CB   LEU    44       4.695  -1.207   2.921  1.00  0.00              
ATOM    660 HB2  LEU    44       5.015  -2.151   3.366  1.00  0.00              
ATOM    661 HB3  LEU    44       4.778  -1.333   1.843  1.00  0.00              
ATOM    662 CG   LEU    44       5.714  -0.131   3.362  1.00  0.00              
ATOM    663 HG   LEU    44       5.430   0.867   3.024  1.00  0.00              
ATOM    664 CD1  LEU    44       5.879  -0.120   4.881  1.00  0.00              
ATOM    665 HD11 LEU    44       4.926   0.096   5.357  1.00  0.00              
ATOM    666 HD12 LEU    44       6.235  -1.091   5.230  1.00  0.00              
ATOM    667 HD13 LEU    44       6.595   0.650   5.165  1.00  0.00              
ATOM    668 CD2  LEU    44       7.078  -0.446   2.744  1.00  0.00              
ATOM    669 HD21 LEU    44       6.997  -0.470   1.657  1.00  0.00              
ATOM    670 HD22 LEU    44       7.794   0.329   3.019  1.00  0.00              
ATOM    671 HD23 LEU    44       7.438  -1.415   3.094  1.00  0.00              
ATOM    672 C    LEU    44       2.530   0.085   2.375  1.00  0.00              
ATOM    673 O    LEU    44       1.937  -0.260   1.346  1.00  0.00              
ATOM    674 N    VAL    45       2.642   1.377   2.714  1.00  0.00              
ATOM    675 H    VAL    45       3.134   1.613   3.570  1.00  0.00              
ATOM    676 CA   VAL    45       2.145   2.508   1.889  1.00  0.00              
ATOM    677 HA   VAL    45       1.740   2.135   0.943  1.00  0.00              
ATOM    678 CB   VAL    45       1.014   3.310   2.565  1.00  0.00              
ATOM    679 HB   VAL    45       1.410   3.866   3.416  1.00  0.00              
ATOM    680 CG1  VAL    45       0.364   4.283   1.564  1.00  0.00              
ATOM    681 HG11 VAL    45       1.098   4.996   1.193  1.00  0.00              
ATOM    682 HG12 VAL    45      -0.060   3.737   0.717  1.00  0.00              
ATOM    683 HG13 VAL    45      -0.435   4.840   2.053  1.00  0.00              
ATOM    684 CG2  VAL    45      -0.101   2.392   3.066  1.00  0.00              
ATOM    685 HG21 VAL    45      -0.917   2.987   3.479  1.00  0.00              
ATOM    686 HG22 VAL    45      -0.472   1.789   2.238  1.00  0.00              
ATOM    687 HG23 VAL    45       0.275   1.742   3.856  1.00  0.00              
ATOM    688 C    VAL    45       3.327   3.392   1.510  1.00  0.00              
ATOM    689 O    VAL    45       3.614   4.423   2.119  1.00  0.00              
ATOM    690 N    ARG    46       4.054   2.929   0.496  1.00  0.00              
ATOM    691 H    ARG    46       3.682   2.129   0.000  1.00  0.00              
ATOM    692 CA   ARG    46       5.254   3.572  -0.049  1.00  0.00              
ATOM    693 HA   ARG    46       5.440   4.537   0.446  1.00  0.00              
ATOM    694 CB   ARG    46       6.473   2.638   0.155  1.00  0.00              
ATOM    695 HB2  ARG    46       7.325   3.267   0.378  1.00  0.00              
ATOM    696 HB3  ARG    46       6.309   2.019   1.039  1.00  0.00              
ATOM    697 CG   ARG    46       6.915   1.732  -1.012  1.00  0.00              
ATOM    698 HG2  ARG    46       7.363   2.354  -1.782  1.00  0.00              
ATOM    699 HG3  ARG    46       7.677   1.061  -0.626  1.00  0.00              
ATOM    700 CD   ARG    46       5.812   0.852  -1.600  1.00  0.00              
ATOM    701 HD2  ARG    46       5.677   0.019  -0.910  1.00  0.00              
ATOM    702 HD3  ARG    46       4.874   1.393  -1.623  1.00  0.00              
ATOM    703 NE   ARG    46       6.075   0.300  -2.951  1.00  0.00              
ATOM    704 HE   ARG    46       5.748  -0.641  -3.089  1.00  0.00              
ATOM    705 CZ   ARG    46       6.286   0.891  -4.112  1.00  0.00              
ATOM    706 NH1  ARG    46       6.709   2.100  -4.304  1.00  0.00              
ATOM    707 HH11 ARG    46       7.201   2.589  -3.579  1.00  0.00              
ATOM    708 HH12 ARG    46       6.718   2.421  -5.275  1.00  0.00              
ATOM    709 NH2  ARG    46       6.019   0.232  -5.189  1.00  0.00              
ATOM    710 HH21 ARG    46       5.691  -0.723  -5.149  1.00  0.00              
ATOM    711 HH22 ARG    46       6.065   0.733  -6.085  1.00  0.00              
ATOM    712 C    ARG    46       5.026   4.009  -1.473  1.00  0.00              
ATOM    713 O    ARG    46       4.025   3.681  -2.089  1.00  0.00              
ATOM    714 N    GLH    47       5.947   4.796  -1.982  1.00  0.00              
ATOM    715 H    GLH    47       6.719   5.071  -1.383  1.00  0.00              
ATOM    716 CA   GLH    47       5.938   5.216  -3.370  1.00  0.00              
ATOM    717 HA   GLH    47       5.444   4.448  -3.970  1.00  0.00              
ATOM    718 CB   GLH    47       5.126   6.528  -3.453  1.00  0.00              
ATOM    719 HB2  GLH    47       5.053   6.824  -4.496  1.00  0.00              
ATOM    720 HB3  GLH    47       4.115   6.310  -3.106  1.00  0.00              
ATOM    721 CG   GLH    47       5.692   7.705  -2.626  1.00  0.00              
ATOM    722 HG2  GLH    47       6.020   7.361  -1.647  1.00  0.00              
ATOM    723 HG3  GLH    47       6.553   8.125  -3.146  1.00  0.00              
ATOM    724 CD   GLH    47       4.662   8.808  -2.369  1.00  0.00              
ATOM    725 OE1  GLH    47       3.530   8.620  -1.931  1.00  0.00              
ATOM    726 OE2  GLH    47       5.104  10.065  -2.603  1.00  0.00              
ATOM    727 HE2  GLH    47       4.370  10.665  -2.434  1.00  0.00              
ATOM    728 C    GLH    47       7.358   5.277  -3.915  1.00  0.00              
ATOM    729 O    GLH    47       8.275   4.631  -3.400  1.00  0.00              
ATOM    730 N    SER    48       7.524   6.076  -4.946  1.00  0.00              
ATOM    731 H    SER    48       6.707   6.474  -5.380  1.00  0.00              
ATOM    732 CA   SER    48       8.767   6.416  -5.582  1.00  0.00              
ATOM    733 HA   SER    48       9.607   6.106  -4.959  1.00  0.00              
ATOM    734 CB   SER    48       8.876   5.719  -6.933  1.00  0.00              
ATOM    735 HB2  SER    48       9.815   5.975  -7.409  1.00  0.00              
ATOM    736 HB3  SER    48       8.813   4.648  -6.788  1.00  0.00              
ATOM    737 OG   SER    48       7.838   6.141  -7.779  1.00  0.00              
ATOM    738 HG   SER    48       7.086   5.506  -7.604  1.00  0.00              
ATOM    739 C    SER    48       8.809   7.919  -5.819  1.00  0.00              
ATOM    740 O    SER    48       7.794   8.605  -5.966  1.00  0.00              
ATOM    741 N    GLN    49      10.041   8.405  -5.883  1.00  0.00              
ATOM    742 H    GLN    49      10.794   7.840  -5.512  1.00  0.00              
ATOM    743 CA   GLN    49      10.354   9.775  -6.247  1.00  0.00              
ATOM    744 HA   GLN    49       9.440  10.371  -6.206  1.00  0.00              
ATOM    745 CB   GLN    49      11.283  10.347  -5.146  1.00  0.00              
ATOM    746 HB2  GLN    49      11.290  11.434  -5.210  1.00  0.00              
ATOM    747 HB3  GLN    49      10.858  10.076  -4.155  1.00  0.00              
ATOM    748 CG   GLN    49      12.729   9.839  -5.127  1.00  0.00              
ATOM    749 HG2  GLN    49      13.202  10.231  -4.226  1.00  0.00              
ATOM    750 HG3  GLN    49      12.719   8.755  -5.050  1.00  0.00              
ATOM    751 CD   GLN    49      13.581  10.267  -6.321  1.00  0.00              
ATOM    752 OE1  GLN    49      13.952  11.423  -6.478  1.00  0.00              
ATOM    753 NE2  GLN    49      13.939   9.348  -7.196  1.00  0.00              
ATOM    754 HE21 GLN    49      13.660   8.385  -7.088  1.00  0.00              
ATOM    755 HE22 GLN    49      14.500   9.637  -7.984  1.00  0.00              
ATOM    756 C    GLN    49      10.776   9.752  -7.755  1.00  0.00              
ATOM    757 O    GLN    49      11.171  10.768  -8.328  1.00  0.00              
ATOM    758 N    ARG    50      10.635   8.556  -8.387  1.00  0.00              
ATOM    759 H    ARG    50      10.285   7.819  -7.800  1.00  0.00              
ATOM    760 CA   ARG    50      10.875   8.165  -9.787  1.00  0.00              
ATOM    761 HA   ARG    50      11.484   8.958 -10.227  1.00  0.00              
ATOM    762 CB   ARG    50      11.706   6.866  -9.827  1.00  0.00              
ATOM    763 HB2  ARG    50      12.615   7.015  -9.238  1.00  0.00              
ATOM    764 HB3  ARG    50      11.137   6.066  -9.351  1.00  0.00              
ATOM    765 CG   ARG    50      12.111   6.381 -11.235  1.00  0.00              
ATOM    766 HG2  ARG    50      12.657   5.446 -11.108  1.00  0.00              
ATOM    767 HG3  ARG    50      11.222   6.157 -11.825  1.00  0.00              
ATOM    768 CD   ARG    50      13.020   7.344 -12.018  1.00  0.00              
ATOM    769 HD2  ARG    50      13.793   7.725 -11.346  1.00  0.00              
ATOM    770 HD3  ARG    50      13.507   6.775 -12.813  1.00  0.00              
ATOM    771 NE   ARG    50      12.276   8.466 -12.631  1.00  0.00              
ATOM    772 HE   ARG    50      11.268   8.463 -12.540  1.00  0.00              
ATOM    773 CZ   ARG    50      12.787   9.490 -13.292  1.00  0.00              
ATOM    774 NH1  ARG    50      14.065   9.602 -13.516  1.00  0.00              
ATOM    775 HH11 ARG    50      14.685   8.880 -13.188  1.00  0.00              
ATOM    776 HH12 ARG    50      14.435  10.390 -14.023  1.00  0.00              
ATOM    777 NH2  ARG    50      12.004  10.430 -13.739  1.00  0.00              
ATOM    778 HH21 ARG    50      11.012  10.388 -13.564  1.00  0.00              
ATOM    779 HH22 ARG    50      12.385  11.213 -14.245  1.00  0.00              
ATOM    780 C    ARG    50       9.583   8.101 -10.625  1.00  0.00              
ATOM    781 O    ARG    50       9.555   8.843 -11.608  1.00  0.00              
ATOM    782 N    ASN    51       8.553   7.262 -10.358  1.00  0.00              
ATOM    783 H    ASN    51       8.553   6.530  -9.644  1.00  0.00              
ATOM    784 CA   ASN    51       7.313   7.377 -11.133  1.00  0.00              
ATOM    785 HA   ASN    51       7.591   7.268 -12.178  1.00  0.00              
ATOM    786 CB   ASN    51       6.336   6.220 -10.865  1.00  0.00              
ATOM    787 HB2  ASN    51       6.282   5.971  -9.807  1.00  0.00              
ATOM    788 HB3  ASN    51       5.336   6.493 -11.203  1.00  0.00              
ATOM    789 CG   ASN    51       6.789   5.027 -11.676  1.00  0.00              
ATOM    790 OD1  ASN    51       6.440   4.860 -12.838  1.00  0.00              
ATOM    791 ND2  ASN    51       7.702   4.261 -11.147  1.00  0.00              
ATOM    792 HD21 ASN    51       7.811   4.268 -10.133  1.00  0.00              
ATOM    793 HD22 ASN    51       8.084   3.531 -11.706  1.00  0.00              
ATOM    794 C    ASN    51       6.696   8.764 -10.825  1.00  0.00              
ATOM    795 O    ASN    51       6.482   9.078  -9.650  1.00  0.00              
ATOM    796 N    PRO    52       6.403   9.616 -11.830  1.00  0.00              
ATOM    797 CD   PRO    52       6.488   9.328 -13.255  1.00  0.00              
ATOM    798 HD2  PRO    52       5.969   8.403 -13.509  1.00  0.00              
ATOM    799 HD3  PRO    52       7.536   9.270 -13.553  1.00  0.00              
ATOM    800 CG   PRO    52       5.822  10.513 -13.950  1.00  0.00              
ATOM    801 HG2  PRO    52       4.744  10.352 -14.000  1.00  0.00              
ATOM    802 HG3  PRO    52       6.234  10.681 -14.946  1.00  0.00              
ATOM    803 CB   PRO    52       6.131  11.672 -13.003  1.00  0.00              
ATOM    804 HB2  PRO    52       5.423  12.492 -13.127  1.00  0.00              
ATOM    805 HB3  PRO    52       7.148  12.024 -13.185  1.00  0.00              
ATOM    806 CA   PRO    52       6.059  11.032 -11.610  1.00  0.00              
ATOM    807 HA   PRO    52       6.816  11.492 -10.973  1.00  0.00              
ATOM    808 C    PRO    52       4.687  11.252 -10.939  1.00  0.00              
ATOM    809 O    PRO    52       4.327  12.378 -10.591  1.00  0.00              
ATOM    810 N    GLN    53       3.922  10.170 -10.767  1.00  0.00              
ATOM    811 H    GLN    53       4.300   9.297 -11.102  1.00  0.00              
ATOM    812 CA   GLN    53       2.554  10.118 -10.260  1.00  0.00              
ATOM    813 HA   GLN    53       2.228  11.075  -9.861  1.00  0.00              
ATOM    814 CB   GLN    53       1.626   9.820 -11.460  1.00  0.00              
ATOM    815 HB2  GLN    53       1.943   8.892 -11.939  1.00  0.00              
ATOM    816 HB3  GLN    53       0.608   9.689 -11.099  1.00  0.00              
ATOM    817 CG   GLN    53       1.619  10.961 -12.500  1.00  0.00              
ATOM    818 HG2  GLN    53       1.292  11.879 -12.008  1.00  0.00              
ATOM    819 HG3  GLN    53       2.627  11.127 -12.877  1.00  0.00              
ATOM    820 CD   GLN    53       0.718  10.708 -13.712  1.00  0.00              
ATOM    821 OE1  GLN    53       0.212   9.621 -13.961  1.00  0.00              
ATOM    822 NE2  GLN    53       0.488  11.714 -14.531  1.00  0.00              
ATOM    823 HE21 GLN    53      -0.097  11.552 -15.338  1.00  0.00              
ATOM    824 HE22 GLN    53       0.899  12.620 -14.360  1.00  0.00              
ATOM    825 C    GLN    53       2.406   9.086  -9.119  1.00  0.00              
ATOM    826 O    GLN    53       1.279   8.640  -8.916  1.00  0.00              
ATOM    827 N    GLY    54       3.443   8.736  -8.316  1.00  0.00              
ATOM    828 H    GLY    54       4.397   9.042  -8.503  1.00  0.00              
ATOM    829 CA   GLY    54       3.279   7.638  -7.349  1.00  0.00              
ATOM    830 HA2  GLY    54       2.509   7.017  -7.758  1.00  0.00              
ATOM    831 HA3  GLY    54       4.152   6.997  -7.339  1.00  0.00              
ATOM    832 C    GLY    54       2.914   7.894  -5.882  1.00  0.00              
ATOM    833 O    GLY    54       3.524   8.684  -5.167  1.00  0.00              
ATOM    834 N    PHE    55       1.843   7.178  -5.516  1.00  0.00              
ATOM    835 H    PHE    55       1.505   6.621  -6.283  1.00  0.00              
ATOM    836 CA   PHE    55       1.154   6.963  -4.229  1.00  0.00              
ATOM    837 HA   PHE    55       1.865   7.090  -3.404  1.00  0.00              
ATOM    838 CB   PHE    55       0.015   8.001  -4.089  1.00  0.00              
ATOM    839 HB2  PHE    55      -0.788   7.743  -4.781  1.00  0.00              
ATOM    840 HB3  PHE    55      -0.397   7.929  -3.081  1.00  0.00              
ATOM    841 CG   PHE    55       0.389   9.448  -4.366  1.00  0.00              
ATOM    842 CD1  PHE    55       0.233   9.979  -5.663  1.00  0.00              
ATOM    843 HD1  PHE    55      -0.150   9.359  -6.462  1.00  0.00              
ATOM    844 CE1  PHE    55       0.588  11.314  -5.931  1.00  0.00              
ATOM    845 HE1  PHE    55       0.481  11.712  -6.932  1.00  0.00              
ATOM    846 CZ   PHE    55       1.086  12.127  -4.898  1.00  0.00              
ATOM    847 HZ   PHE    55       1.357  13.155  -5.101  1.00  0.00              
ATOM    848 CE2  PHE    55       1.232  11.605  -3.599  1.00  0.00              
ATOM    849 HE2  PHE    55       1.612  12.234  -2.804  1.00  0.00              
ATOM    850 CD2  PHE    55       0.886  10.267  -3.334  1.00  0.00              
ATOM    851 HD2  PHE    55       1.006   9.868  -2.335  1.00  0.00              
ATOM    852 C    PHE    55       0.609   5.497  -4.169  1.00  0.00              
ATOM    853 O    PHE    55      -0.580   5.271  -4.396  1.00  0.00              
ATOM    854 N    VAL    56       1.435   4.476  -3.905  1.00  0.00              
ATOM    855 H    VAL    56       2.395   4.669  -3.717  1.00  0.00              
ATOM    856 CA   VAL    56       1.084   3.035  -3.947  1.00  0.00              
ATOM    857 HA   VAL    56       0.177   2.929  -4.533  1.00  0.00              
ATOM    858 CB   VAL    56       2.164   2.171  -4.713  1.00  0.00              
ATOM    859 HB   VAL    56       1.715   1.662  -5.582  1.00  0.00              
ATOM    860 CG1  VAL    56       3.370   2.968  -5.225  1.00  0.00              
ATOM    861 HG11 VAL    56       3.754   3.578  -4.432  1.00  0.00              
ATOM    862 HG12 VAL    56       4.186   2.306  -5.521  1.00  0.00              
ATOM    863 HG13 VAL    56       3.114   3.613  -6.059  1.00  0.00              
ATOM    864 CG2  VAL    56       2.829   1.078  -3.870  1.00  0.00              
ATOM    865 HG21 VAL    56       3.552   0.531  -4.461  1.00  0.00              
ATOM    866 HG22 VAL    56       3.349   1.544  -3.038  1.00  0.00              
ATOM    867 HG23 VAL    56       2.109   0.351  -3.518  1.00  0.00              
ATOM    868 C    VAL    56       0.764   2.398  -2.589  1.00  0.00              
ATOM    869 O    VAL    56       1.322   2.725  -1.543  1.00  0.00              
ATOM    870 N    LEU    57      -0.171   1.450  -2.644  1.00  0.00              
ATOM    871 H    LEU    57      -0.626   1.284  -3.531  1.00  0.00              
ATOM    872 CA   LEU    57      -0.538   0.557  -1.546  1.00  0.00              
ATOM    873 HA   LEU    57      -0.098   0.909  -0.613  1.00  0.00              
ATOM    874 CB   LEU    57      -2.070   0.481  -1.394  1.00  0.00              
ATOM    875 HB2  LEU    57      -2.450   1.504  -1.366  1.00  0.00              
ATOM    876 HB3  LEU    57      -2.508  -0.006  -2.262  1.00  0.00              
ATOM    877 CG   LEU    57      -2.561  -0.231  -0.122  1.00  0.00              
ATOM    878 HG   LEU    57      -2.133   0.258   0.752  1.00  0.00              
ATOM    879 CD1  LEU    57      -4.083  -0.140  -0.037  1.00  0.00              
ATOM    880 HD11 LEU    57      -4.427  -0.597   0.891  1.00  0.00              
ATOM    881 HD12 LEU    57      -4.389   0.906  -0.037  1.00  0.00              
ATOM    882 HD13 LEU    57      -4.541  -0.652  -0.884  1.00  0.00              
ATOM    883 CD2  LEU    57      -2.186  -1.713  -0.105  1.00  0.00              
ATOM    884 HD21 LEU    57      -2.479  -2.180  -1.045  1.00  0.00              
ATOM    885 HD22 LEU    57      -1.115  -1.838   0.046  1.00  0.00              
ATOM    886 HD23 LEU    57      -2.694  -2.214   0.721  1.00  0.00              
ATOM    887 C    LEU    57       0.206  -0.714  -2.004  1.00  0.00              
ATOM    888 O    LEU    57       0.095  -1.098  -3.167  1.00  0.00              
ATOM    889 N    SER    58       1.023  -1.348  -1.168  1.00  0.00              
ATOM    890 H    SER    58       0.940  -1.190  -0.161  1.00  0.00              
ATOM    891 CA   SER    58       1.864  -2.471  -1.616  1.00  0.00              
ATOM    892 HA   SER    58       1.609  -2.777  -2.631  1.00  0.00              
ATOM    893 CB   SER    58       3.330  -2.032  -1.647  1.00  0.00              
ATOM    894 HB2  SER    58       3.980  -2.897  -1.787  1.00  0.00              
ATOM    895 HB3  SER    58       3.464  -1.352  -2.486  1.00  0.00              
ATOM    896 OG   SER    58       3.678  -1.344  -0.465  1.00  0.00              
ATOM    897 HG   SER    58       2.857  -1.115   0.010  1.00  0.00              
ATOM    898 C    SER    58       1.628  -3.652  -0.717  1.00  0.00              
ATOM    899 O    SER    58       1.963  -3.592   0.459  1.00  0.00              
ATOM    900 N    LEU    59       1.038  -4.703  -1.275  1.00  0.00              
ATOM    901 H    LEU    59       0.919  -4.705  -2.284  1.00  0.00              
ATOM    902 CA   LEU    59       0.606  -5.888  -0.543  1.00  0.00              
ATOM    903 HA   LEU    59       0.544  -5.648   0.520  1.00  0.00              
ATOM    904 CB   LEU    59      -0.811  -6.250  -1.039  1.00  0.00              
ATOM    905 HB2  LEU    59      -0.819  -6.219  -2.131  1.00  0.00              
ATOM    906 HB3  LEU    59      -1.076  -7.262  -0.731  1.00  0.00              
ATOM    907 CG   LEU    59      -1.847  -5.253  -0.481  1.00  0.00              
ATOM    908 HG   LEU    59      -1.374  -4.283  -0.367  1.00  0.00              
ATOM    909 CD1  LEU    59      -3.052  -5.066  -1.396  1.00  0.00              
ATOM    910 HD11 LEU    59      -2.724  -4.716  -2.376  1.00  0.00              
ATOM    911 HD12 LEU    59      -3.589  -6.002  -1.504  1.00  0.00              
ATOM    912 HD13 LEU    59      -3.727  -4.324  -0.967  1.00  0.00              
ATOM    913 CD2  LEU    59      -2.343  -5.701   0.891  1.00  0.00              
ATOM    914 HD21 LEU    59      -3.088  -6.490   0.786  1.00  0.00              
ATOM    915 HD22 LEU    59      -1.511  -6.091   1.476  1.00  0.00              
ATOM    916 HD23 LEU    59      -2.777  -4.848   1.414  1.00  0.00              
ATOM    917 C    LEU    59       1.623  -7.018  -0.663  1.00  0.00              
ATOM    918 O    LEU    59       2.363  -7.117  -1.643  1.00  0.00              
ATOM    919 N    CYS    60       1.638  -7.881   0.350  1.00  0.00              
ATOM    920 H    CYS    60       0.769  -7.987   0.895  1.00  0.00              
ATOM    921 CA   CYS    60       2.542  -9.029   0.397  1.00  0.00              
ATOM    922 HA   CYS    60       3.062  -9.145  -0.549  1.00  0.00              
ATOM    923 CB   CYS    60       3.563  -8.992   1.536  1.00  0.00              
ATOM    924 HB2  CYS    60       4.171  -8.094   1.489  1.00  0.00              
ATOM    925 HB3  CYS    60       3.031  -9.018   2.482  1.00  0.00              
ATOM    926 SG   CYS    60       4.622 -10.461   1.446  1.00  0.00              
ATOM    927 HG   CYS    60       5.687  -9.894   0.849  1.00  0.00              
ATOM    928 C    CYS    60       1.553 -10.135   0.587  1.00  0.00              
ATOM    929 O    CYS    60       0.827 -10.130   1.585  1.00  0.00              
ATOM    930 N    HIE    61       1.462 -10.998  -0.413  1.00  0.00              
ATOM    931 H    HIE    61       2.095 -10.959  -1.204  1.00  0.00              
ATOM    932 CA   HIE    61       0.451 -12.023  -0.427  1.00  0.00              
ATOM    933 HA   HIE    61      -0.110 -11.833   0.482  1.00  0.00              
ATOM    934 CB   HIE    61      -0.473 -11.685  -1.621  1.00  0.00              
ATOM    935 HB2  HIE    61      -1.300 -11.082  -1.262  1.00  0.00              
ATOM    936 HB3  HIE    61       0.078 -11.009  -2.244  1.00  0.00              
ATOM    937 CG   HIE    61      -1.010 -12.754  -2.541  1.00  0.00              
ATOM    938 ND1  HIE    61      -0.269 -13.433  -3.511  1.00  0.00              
ATOM    939 CE1  HIE    61      -1.155 -14.177  -4.195  1.00  0.00              
ATOM    940 HE1  HIE    61      -0.920 -14.790  -5.056  1.00  0.00              
ATOM    941 NE2  HIE    61      -2.384 -14.035  -3.678  1.00  0.00              
ATOM    942 HE2  HIE    61      -3.225 -14.473  -4.039  1.00  0.00              
ATOM    943 CD2  HIE    61      -2.313 -13.143  -2.634  1.00  0.00              
ATOM    944 HD2  HIE    61      -3.143 -12.773  -2.050  1.00  0.00              
ATOM    945 C    HIE    61       1.042 -13.432  -0.303  1.00  0.00              
ATOM    946 O    HIE    61       2.227 -13.610  -0.002  1.00  0.00              
ATOM    947 N    LEU    62       0.214 -14.429  -0.600  1.00  0.00              
ATOM    948 H    LEU    62      -0.671 -14.125  -0.998  1.00  0.00              
ATOM    949 CA   LEU    62       0.553 -15.857  -0.416  1.00  0.00              
ATOM    950 HA   LEU    62       1.565 -15.906  -0.013  1.00  0.00              
ATOM    951 CB   LEU    62      -0.440 -16.575   0.522  1.00  0.00              
ATOM    952 HB2  LEU    62       0.117 -17.312   1.101  1.00  0.00              
ATOM    953 HB3  LEU    62      -0.842 -15.848   1.230  1.00  0.00              
ATOM    954 CG   LEU    62      -1.609 -17.310  -0.169  1.00  0.00              
ATOM    955 HG   LEU    62      -1.222 -18.187  -0.688  1.00  0.00              
ATOM    956 CD1  LEU    62      -2.607 -17.789   0.884  1.00  0.00              
ATOM    957 HD11 LEU    62      -3.401 -18.363   0.407  1.00  0.00              
ATOM    958 HD12 LEU    62      -2.100 -18.426   1.609  1.00  0.00              
ATOM    959 HD13 LEU    62      -3.043 -16.933   1.399  1.00  0.00              
ATOM    960 CD2  LEU    62      -2.361 -16.453  -1.187  1.00  0.00              
ATOM    961 HD21 LEU    62      -2.723 -15.543  -0.713  1.00  0.00              
ATOM    962 HD22 LEU    62      -1.709 -16.197  -2.018  1.00  0.00              
ATOM    963 HD23 LEU    62      -3.210 -17.011  -1.582  1.00  0.00              
ATOM    964 C    LEU    62       1.064 -16.626  -1.589  1.00  0.00              
ATOM    965 O    LEU    62       1.299 -17.833  -1.485  1.00  0.00              
ATOM    966 N    GLN    63       1.320 -15.886  -2.659  1.00  0.00              
ATOM    967 H    GLN    63       1.048 -14.911  -2.657  1.00  0.00              
ATOM    968 CA   GLN    63       2.009 -16.455  -3.786  1.00  0.00              
ATOM    969 HA   GLN    63       2.696 -17.075  -3.213  1.00  0.00              
ATOM    970 CB   GLN    63       1.107 -17.193  -4.802  1.00  0.00              
ATOM    971 HB2  GLN    63       0.477 -16.458  -5.301  1.00  0.00              
ATOM    972 HB3  GLN    63       1.758 -17.629  -5.561  1.00  0.00              
ATOM    973 CG   GLN    63       0.209 -18.319  -4.261  1.00  0.00              
ATOM    974 HG2  GLN    63       0.833 -19.060  -3.763  1.00  0.00              
ATOM    975 HG3  GLN    63      -0.493 -17.907  -3.537  1.00  0.00              
ATOM    976 CD   GLN    63      -0.603 -19.034  -5.345  1.00  0.00              
ATOM    977 OE1  GLN    63      -0.591 -18.703  -6.525  1.00  0.00              
ATOM    978 NE2  GLN    63      -1.354 -20.055  -4.984  1.00  0.00              
ATOM    979 HE21 GLN    63      -1.892 -20.531  -5.693  1.00  0.00              
ATOM    980 HE22 GLN    63      -1.382 -20.353  -4.019  1.00  0.00              
ATOM    981 C    GLN    63       2.910 -15.446  -4.501  1.00  0.00              
ATOM    982 O    GLN    63       3.919 -15.844  -5.089  1.00  0.00              
ATOM    983 N    LYS    64       2.580 -14.149  -4.422  1.00  0.00              
ATOM    984 H    LYS    64       1.714 -13.888  -3.960  1.00  0.00              
ATOM    985 CA   LYS    64       3.403 -13.062  -4.957  1.00  0.00              
ATOM    986 HA   LYS    64       4.436 -13.399  -4.847  1.00  0.00              
ATOM    987 CB   LYS    64       3.070 -12.894  -6.457  1.00  0.00              
ATOM    988 HB2  LYS    64       3.826 -12.266  -6.933  1.00  0.00              
ATOM    989 HB3  LYS    64       3.125 -13.876  -6.931  1.00  0.00              
ATOM    990 CG   LYS    64       1.677 -12.281  -6.716  1.00  0.00              
ATOM    991 HG2  LYS    64       0.989 -12.582  -5.925  1.00  0.00              
ATOM    992 HG3  LYS    64       1.753 -11.193  -6.693  1.00  0.00              
ATOM    993 CD   LYS    64       1.075 -12.723  -8.060  1.00  0.00              
ATOM    994 HD2  LYS    64       0.930 -13.805  -8.036  1.00  0.00              
ATOM    995 HD3  LYS    64       0.096 -12.252  -8.172  1.00  0.00              
ATOM    996 CE   LYS    64       1.957 -12.352  -9.264  1.00  0.00              
ATOM    997 HE2  LYS    64       2.047 -11.262  -9.315  1.00  0.00              
ATOM    998 HE3  LYS    64       2.961 -12.765  -9.111  1.00  0.00              
ATOM    999 NZ   LYS    64       1.391 -12.884 -10.537  1.00  0.00              
ATOM   1000 HZ1  LYS    64       1.326 -13.895 -10.517  1.00  0.00              
ATOM   1001 HZ2  LYS    64       0.462 -12.521 -10.714  1.00  0.00              
ATOM   1002 HZ3  LYS    64       1.973 -12.639 -11.330  1.00  0.00              
ATOM   1003 C    LYS    64       3.237 -11.759  -4.159  1.00  0.00              
ATOM   1004 O    LYS    64       2.506 -11.714  -3.170  1.00  0.00              
ATOM   1005 N    VAL    65       3.910 -10.689  -4.587  1.00  0.00              
ATOM   1006 H    VAL    65       4.504 -10.800  -5.400  1.00  0.00              
ATOM   1007 CA   VAL    65       3.779  -9.331  -4.015  1.00  0.00              
ATOM   1008 HA   VAL    65       2.868  -9.302  -3.414  1.00  0.00              
ATOM   1009 CB   VAL    65       4.937  -8.972  -3.058  1.00  0.00              
ATOM   1010 HB   VAL    65       4.646  -8.089  -2.493  1.00  0.00              
ATOM   1011 CG1  VAL    65       5.197 -10.106  -2.062  1.00  0.00              
ATOM   1012 HG11 VAL    65       4.265 -10.479  -1.646  1.00  0.00              
ATOM   1013 HG12 VAL    65       5.703 -10.938  -2.554  1.00  0.00              
ATOM   1014 HG13 VAL    65       5.817  -9.735  -1.250  1.00  0.00              
ATOM   1015 CG2  VAL    65       6.263  -8.654  -3.751  1.00  0.00              
ATOM   1016 HG21 VAL    65       6.571  -9.486  -4.386  1.00  0.00              
ATOM   1017 HG22 VAL    65       6.149  -7.754  -4.354  1.00  0.00              
ATOM   1018 HG23 VAL    65       7.034  -8.468  -3.002  1.00  0.00              
ATOM   1019 C    VAL    65       3.581  -8.318  -5.150  1.00  0.00              
ATOM   1020 O    VAL    65       4.253  -8.408  -6.180  1.00  0.00              
ATOM   1021 N    LYS    66       2.633  -7.386  -4.992  1.00  0.00              
ATOM   1022 H    LYS    66       2.164  -7.321  -4.094  1.00  0.00              
ATOM   1023 CA   LYS    66       2.245  -6.421  -6.042  1.00  0.00              
ATOM   1024 HA   LYS    66       3.088  -6.320  -6.737  1.00  0.00              
ATOM   1025 CB   LYS    66       1.035  -7.007  -6.806  1.00  0.00              
ATOM   1026 HB2  LYS    66       1.081  -8.097  -6.755  1.00  0.00              
ATOM   1027 HB3  LYS    66       0.108  -6.688  -6.325  1.00  0.00              
ATOM   1028 CG   LYS    66       0.987  -6.621  -8.293  1.00  0.00              
ATOM   1029 HG2  LYS    66       0.803  -5.552  -8.389  1.00  0.00              
ATOM   1030 HG3  LYS    66       1.942  -6.858  -8.760  1.00  0.00              
ATOM   1031 CD   LYS    66      -0.129  -7.413  -8.998  1.00  0.00              
ATOM   1032 HD2  LYS    66       0.103  -8.479  -8.944  1.00  0.00              
ATOM   1033 HD3  LYS    66      -1.074  -7.237  -8.477  1.00  0.00              
ATOM   1034 CE   LYS    66      -0.276  -7.001 -10.471  1.00  0.00              
ATOM   1035 HE2  LYS    66      -0.499  -5.930 -10.512  1.00  0.00              
ATOM   1036 HE3  LYS    66       0.679  -7.159 -10.984  1.00  0.00              
ATOM   1037 NZ   LYS    66      -1.361  -7.772 -11.150  1.00  0.00              
ATOM   1038 HZ1  LYS    66      -1.147  -8.763 -11.192  1.00  0.00              
ATOM   1039 HZ2  LYS    66      -2.251  -7.672 -10.672  1.00  0.00              
ATOM   1040 HZ3  LYS    66      -1.501  -7.453 -12.103  1.00  0.00              
ATOM   1041 C    LYS    66       1.960  -5.023  -5.481  1.00  0.00              
ATOM   1042 O    LYS    66       1.635  -4.869  -4.302  1.00  0.00              
ATOM   1043 N    HIE    67       2.046  -4.015  -6.347  1.00  0.00              
ATOM   1044 H    HIE    67       2.277  -4.236  -7.307  1.00  0.00              
ATOM   1045 CA   HIE    67       1.873  -2.593  -6.012  1.00  0.00              
ATOM   1046 HA   HIE    67       1.777  -2.491  -4.929  1.00  0.00              
ATOM   1047 CB   HIE    67       3.120  -1.824  -6.428  1.00  0.00              
ATOM   1048 HB2  HIE    67       3.182  -1.825  -7.511  1.00  0.00              
ATOM   1049 HB3  HIE    67       3.037  -0.788  -6.109  1.00  0.00              
ATOM   1050 CG   HIE    67       4.349  -2.443  -5.824  1.00  0.00              
ATOM   1051 ND1  HIE    67       4.754  -2.290  -4.497  1.00  0.00              
ATOM   1052 CE1  HIE    67       5.800  -3.118  -4.333  1.00  0.00              
ATOM   1053 HE1  HIE    67       6.357  -3.240  -3.413  1.00  0.00              
ATOM   1054 NE2  HIE    67       6.085  -3.735  -5.488  1.00  0.00              
ATOM   1055 HE2  HIE    67       6.876  -4.346  -5.649  1.00  0.00              
ATOM   1056 CD2  HIE    67       5.161  -3.350  -6.430  1.00  0.00              
ATOM   1057 HD2  HIE    67       5.074  -3.714  -7.447  1.00  0.00              
ATOM   1058 C    HIE    67       0.596  -2.041  -6.636  1.00  0.00              
ATOM   1059 O    HIE    67       0.216  -2.427  -7.731  1.00  0.00              
ATOM   1060 N    TYR    68      -0.019  -1.070  -5.975  1.00  0.00              
ATOM   1061 H    TYR    68       0.369  -0.827  -5.070  1.00  0.00              
ATOM   1062 CA   TYR    68      -1.334  -0.516  -6.328  1.00  0.00              
ATOM   1063 HA   TYR    68      -1.673  -0.951  -7.265  1.00  0.00              
ATOM   1064 CB   TYR    68      -2.241  -1.023  -5.188  1.00  0.00              
ATOM   1065 HB2  TYR    68      -1.949  -2.052  -4.964  1.00  0.00              
ATOM   1066 HB3  TYR    68      -1.999  -0.434  -4.310  1.00  0.00              
ATOM   1067 CG   TYR    68      -3.751  -1.064  -5.270  1.00  0.00              
ATOM   1068 CD1  TYR    68      -4.413  -1.544  -4.123  1.00  0.00              
ATOM   1069 HD1  TYR    68      -3.839  -1.856  -3.260  1.00  0.00              
ATOM   1070 CE1  TYR    68      -5.811  -1.648  -4.093  1.00  0.00              
ATOM   1071 HE1  TYR    68      -6.307  -2.046  -3.220  1.00  0.00              
ATOM   1072 CZ   TYR    68      -6.561  -1.260  -5.216  1.00  0.00              
ATOM   1073 OH   TYR    68      -7.913  -1.348  -5.150  1.00  0.00              
ATOM   1074 HH   TYR    68      -8.355  -1.085  -5.972  1.00  0.00              
ATOM   1075 CE2  TYR    68      -5.904  -0.795  -6.378  1.00  0.00              
ATOM   1076 HE2  TYR    68      -6.483  -0.519  -7.246  1.00  0.00              
ATOM   1077 CD2  TYR    68      -4.495  -0.703  -6.412  1.00  0.00              
ATOM   1078 HD2  TYR    68      -3.999  -0.362  -7.310  1.00  0.00              
ATOM   1079 C    TYR    68      -1.317   1.010  -6.520  1.00  0.00              
ATOM   1080 O    TYR    68      -1.882   1.755  -5.722  1.00  0.00              
ATOM   1081 N    LEU    69      -0.600   1.489  -7.543  1.00  0.00              
ATOM   1082 H    LEU    69      -0.090   0.848  -8.135  1.00  0.00              
ATOM   1083 CA   LEU    69      -0.543   2.895  -7.954  1.00  0.00              
ATOM   1084 HA   LEU    69      -1.329   3.479  -7.475  1.00  0.00              
ATOM   1085 CB   LEU    69       0.749   3.495  -7.424  1.00  0.00              
ATOM   1086 HB2  LEU    69       0.606   3.593  -6.368  1.00  0.00              
ATOM   1087 HB3  LEU    69       1.570   2.809  -7.607  1.00  0.00              
ATOM   1088 CG   LEU    69       1.161   4.890  -7.896  1.00  0.00              
ATOM   1089 HG   LEU    69       1.912   5.178  -7.170  1.00  0.00              
ATOM   1090 CD1  LEU    69       1.852   4.915  -9.266  1.00  0.00              
ATOM   1091 HD11 LEU    69       2.580   5.716  -9.338  1.00  0.00              
ATOM   1092 HD12 LEU    69       2.377   3.971  -9.419  1.00  0.00              
ATOM   1093 HD13 LEU    69       1.134   5.045 -10.069  1.00  0.00              
ATOM   1094 CD2  LEU    69      -0.012   5.880  -7.796  1.00  0.00              
ATOM   1095 HD21 LEU    69       0.339   6.888  -7.634  1.00  0.00              
ATOM   1096 HD22 LEU    69      -0.594   5.904  -8.711  1.00  0.00              
ATOM   1097 HD23 LEU    69      -0.665   5.629  -6.961  1.00  0.00              
ATOM   1098 C    LEU    69      -0.497   3.054  -9.471  1.00  0.00              
ATOM   1099 O    LEU    69       0.350   2.418 -10.082  1.00  0.00              
ATOM   1100 N    ILE    70      -1.346   3.892 -10.076  1.00  0.00              
ATOM   1101 H    ILE    70      -2.007   4.392  -9.499  1.00  0.00              
ATOM   1102 CA   ILE    70      -1.238   4.225 -11.517  1.00  0.00              
ATOM   1103 HA   ILE    70      -0.187   4.126 -11.794  1.00  0.00              
ATOM   1104 CB   ILE    70      -2.015   3.275 -12.459  1.00  0.00              
ATOM   1105 HB   ILE    70      -3.051   3.214 -12.131  1.00  0.00              
ATOM   1106 CG2  ILE    70      -1.999   3.753 -13.922  1.00  0.00              
ATOM   1107 HG21 ILE    70      -2.451   4.736 -14.020  1.00  0.00              
ATOM   1108 HG22 ILE    70      -0.973   3.799 -14.287  1.00  0.00              
ATOM   1109 HG23 ILE    70      -2.571   3.073 -14.552  1.00  0.00              
ATOM   1110 CG1  ILE    70      -1.334   1.895 -12.357  1.00  0.00              
ATOM   1111 HG12 ILE    70      -0.256   2.027 -12.447  1.00  0.00              
ATOM   1112 HG13 ILE    70      -1.550   1.490 -11.377  1.00  0.00              
ATOM   1113 CD1  ILE    70      -1.692   0.821 -13.362  1.00  0.00              
ATOM   1114 HD11 ILE    70      -2.762   0.748 -13.506  1.00  0.00              
ATOM   1115 HD12 ILE    70      -1.239   1.076 -14.310  1.00  0.00              
ATOM   1116 HD13 ILE    70      -1.300  -0.130 -12.992  1.00  0.00              
ATOM   1117 C    ILE    70      -1.536   5.708 -11.761  1.00  0.00              
ATOM   1118 O    ILE    70      -0.792   6.351 -12.502  1.00  0.00              
ATOM   1119 N    LEU    71      -2.570   6.270 -11.110  1.00  0.00              
ATOM   1120 H    LEU    71      -3.174   5.699 -10.518  1.00  0.00              
ATOM   1121 CA   LEU    71      -2.998   7.654 -11.372  1.00  0.00              
ATOM   1122 HA   LEU    71      -2.316   8.106 -12.100  1.00  0.00              
ATOM   1123 CB   LEU    71      -4.430   7.595 -11.951  1.00  0.00              
ATOM   1124 HB2  LEU    71      -5.061   7.320 -11.114  1.00  0.00              
ATOM   1125 HB3  LEU    71      -4.730   8.592 -12.278  1.00  0.00              
ATOM   1126 CG   LEU    71      -4.719   6.579 -13.084  1.00  0.00              
ATOM   1127 HG   LEU    71      -4.307   5.607 -12.826  1.00  0.00              
ATOM   1128 CD1  LEU    71      -6.226   6.367 -13.257  1.00  0.00              
ATOM   1129 HD11 LEU    71      -6.619   5.789 -12.417  1.00  0.00              
ATOM   1130 HD12 LEU    71      -6.743   7.325 -13.317  1.00  0.00              
ATOM   1131 HD13 LEU    71      -6.422   5.796 -14.165  1.00  0.00              
ATOM   1132 CD2  LEU    71      -4.118   7.005 -14.420  1.00  0.00              
ATOM   1133 HD21 LEU    71      -4.593   7.922 -14.772  1.00  0.00              
ATOM   1134 HD22 LEU    71      -3.047   7.173 -14.308  1.00  0.00              
ATOM   1135 HD23 LEU    71      -4.270   6.208 -15.153  1.00  0.00              
ATOM   1136 C    LEU    71      -2.946   8.558 -10.116  1.00  0.00              
ATOM   1137 O    LEU    71      -3.222   8.078  -9.011  1.00  0.00              
ATOM   1138 N    PRO    72      -2.653   9.868 -10.270  1.00  0.00              
ATOM   1139 CD   PRO    72      -2.289  10.528 -11.521  1.00  0.00              
ATOM   1140 HD2  PRO    72      -3.085  10.444 -12.262  1.00  0.00              
ATOM   1141 HD3  PRO    72      -1.377  10.084 -11.912  1.00  0.00              
ATOM   1142 CG   PRO    72      -2.035  11.999 -11.185  1.00  0.00              
ATOM   1143 HG2  PRO    72      -2.938  12.582 -11.364  1.00  0.00              
ATOM   1144 HG3  PRO    72      -1.200  12.406 -11.756  1.00  0.00              
ATOM   1145 CB   PRO    72      -1.732  11.959  -9.688  1.00  0.00              
ATOM   1146 HB2  PRO    72      -1.909  12.925  -9.214  1.00  0.00              
ATOM   1147 HB3  PRO    72      -0.695  11.653  -9.536  1.00  0.00              
ATOM   1148 CA   PRO    72      -2.669  10.853  -9.185  1.00  0.00              
ATOM   1149 HA   PRO    72      -2.263  10.428  -8.265  1.00  0.00              
ATOM   1150 C    PRO    72      -4.102  11.353  -8.914  1.00  0.00              
ATOM   1151 O    PRO    72      -5.066  10.861  -9.509  1.00  0.00              
ATOM   1152 N    SER    73      -4.261  12.355  -8.045  1.00  0.00              
ATOM   1153 H    SER    73      -3.448  12.716  -7.562  1.00  0.00              
ATOM   1154 CA   SER    73      -5.563  12.974  -7.742  1.00  0.00              
ATOM   1155 HA   SER    73      -6.194  12.201  -7.323  1.00  0.00              
ATOM   1156 CB   SER    73      -5.413  14.064  -6.675  1.00  0.00              
ATOM   1157 HB2  SER    73      -4.704  14.820  -7.018  1.00  0.00              
ATOM   1158 HB3  SER    73      -6.381  14.539  -6.502  1.00  0.00              
ATOM   1159 OG   SER    73      -4.955  13.484  -5.466  1.00  0.00              
ATOM   1160 HG   SER    73      -4.813  14.194  -4.822  1.00  0.00              
ATOM   1161 C    SER    73      -6.258  13.551  -8.988  1.00  0.00              
ATOM   1162 O    SER    73      -5.644  14.299  -9.752  1.00  0.00              
ATOM   1163 N    GLH    74      -7.538  13.208  -9.193  1.00  0.00              
ATOM   1164 H    GLH    74      -7.987  12.583  -8.528  1.00  0.00              
ATOM   1165 CA   GLH    74      -8.343  13.623 -10.356  1.00  0.00              
ATOM   1166 HA   GLH    74      -7.709  14.132 -11.084  1.00  0.00              
ATOM   1167 CB   GLH    74      -8.926  12.362 -11.035  1.00  0.00              
ATOM   1168 HB2  GLH    74      -9.637  11.894 -10.351  1.00  0.00              
ATOM   1169 HB3  GLH    74      -9.475  12.656 -11.931  1.00  0.00              
ATOM   1170 CG   GLH    74      -7.884  11.306 -11.448  1.00  0.00              
ATOM   1171 HG2  GLH    74      -7.413  10.896 -10.556  1.00  0.00              
ATOM   1172 HG3  GLH    74      -8.399  10.485 -11.947  1.00  0.00              
ATOM   1173 CD   GLH    74      -6.823  11.839 -12.414  1.00  0.00              
ATOM   1174 OE1  GLH    74      -7.079  12.409 -13.473  1.00  0.00              
ATOM   1175 OE2  GLH    74      -5.537  11.635 -12.032  1.00  0.00              
ATOM   1176 HE2  GLH    74      -5.480  11.254 -11.138  1.00  0.00              
ATOM   1177 C    GLH    74      -9.459  14.617  -9.971  1.00  0.00              
ATOM   1178 O    GLH    74      -9.643  14.943  -8.798  1.00  0.00              
ATOM   1179 N    GLU    75     -10.240  15.073 -10.958  1.00  0.00              
ATOM   1180 H    GLU    75      -9.974  14.863 -11.913  1.00  0.00              
ATOM   1181 CA   GLU    75     -11.421  15.940 -10.757  1.00  0.00              
ATOM   1182 HA   GLU    75     -11.364  16.421  -9.779  1.00  0.00              
ATOM   1183 CB   GLU    75     -11.435  17.051 -11.820  1.00  0.00              
ATOM   1184 HB2  GLU    75     -11.441  16.601 -12.813  1.00  0.00              
ATOM   1185 HB3  GLU    75     -12.348  17.637 -11.704  1.00  0.00              
ATOM   1186 CG   GLU    75     -10.236  18.001 -11.696  1.00  0.00              
ATOM   1187 HG2  GLU    75     -10.204  18.404 -10.680  1.00  0.00              
ATOM   1188 HG3  GLU    75      -9.309  17.446 -11.864  1.00  0.00              
ATOM   1189 CD   GLU    75     -10.339  19.154 -12.711  1.00  0.00              
ATOM   1190 OE1  GLU    75      -9.847  19.008 -13.858  1.00  0.00              
ATOM   1191 OE2  GLU    75     -10.908  20.221 -12.370  1.00  0.00              
ATOM   1192 C    GLU    75     -12.746  15.143 -10.777  1.00  0.00              
ATOM   1193 O    GLU    75     -13.792  15.650 -10.369  1.00  0.00              
ATOM   1194 N    GLU    76     -12.696  13.872 -11.198  1.00  0.00              
ATOM   1195 H    GLU    76     -11.802  13.540 -11.530  1.00  0.00              
ATOM   1196 CA   GLU    76     -13.801  12.893 -11.204  1.00  0.00              
ATOM   1197 HA   GLU    76     -14.726  13.417 -10.960  1.00  0.00              
ATOM   1198 CB   GLU    76     -13.992  12.320 -12.622  1.00  0.00              
ATOM   1199 HB2  GLU    76     -14.845  11.640 -12.616  1.00  0.00              
ATOM   1200 HB3  GLU    76     -14.236  13.146 -13.292  1.00  0.00              
ATOM   1201 CG   GLU    76     -12.766  11.586 -13.190  1.00  0.00              
ATOM   1202 HG2  GLU    76     -11.906  12.259 -13.192  1.00  0.00              
ATOM   1203 HG3  GLU    76     -12.516  10.740 -12.549  1.00  0.00              
ATOM   1204 CD   GLU    76     -13.040  11.097 -14.625  1.00  0.00              
ATOM   1205 OE1  GLU    76     -12.550  11.733 -15.591  1.00  0.00              
ATOM   1206 OE2  GLU    76     -13.749  10.075 -14.807  1.00  0.00              
ATOM   1207 C    GLU    76     -13.628  11.832 -10.089  1.00  0.00              
ATOM   1208 O    GLU    76     -13.945  10.650 -10.249  1.00  0.00              
ATOM   1209 N    GLY    77     -13.043  12.266  -8.968  1.00  0.00              
ATOM   1210 H    GLY    77     -12.813  13.252  -8.932  1.00  0.00              
ATOM   1211 CA   GLY    77     -12.665  11.478  -7.789  1.00  0.00              
ATOM   1212 HA2  GLY    77     -13.512  11.390  -7.115  1.00  0.00              
ATOM   1213 HA3  GLY    77     -12.354  10.475  -8.081  1.00  0.00              
ATOM   1214 C    GLY    77     -11.529  12.167  -7.032  1.00  0.00              
ATOM   1215 O    GLY    77     -11.431  13.393  -7.052  1.00  0.00              
ATOM   1216 N    ARG    78     -10.670  11.398  -6.357  1.00  0.00              
ATOM   1217 H    ARG    78     -10.826  10.395  -6.408  1.00  0.00              
ATOM   1218 CA   ARG    78      -9.446  11.881  -5.665  1.00  0.00              
ATOM   1219 HA   ARG    78      -9.198  12.892  -5.998  1.00  0.00              
ATOM   1220 CB   ARG    78      -9.647  11.909  -4.134  1.00  0.00              
ATOM   1221 HB2  ARG    78      -9.788  10.887  -3.807  1.00  0.00              
ATOM   1222 HB3  ARG    78      -8.739  12.285  -3.659  1.00  0.00              
ATOM   1223 CG   ARG    78     -10.838  12.726  -3.599  1.00  0.00              
ATOM   1224 HG2  ARG    78     -11.734  12.521  -4.185  1.00  0.00              
ATOM   1225 HG3  ARG    78     -11.037  12.380  -2.585  1.00  0.00              
ATOM   1226 CD   ARG    78     -10.586  14.240  -3.527  1.00  0.00              
ATOM   1227 HD2  ARG    78     -11.420  14.702  -2.995  1.00  0.00              
ATOM   1228 HD3  ARG    78      -9.672  14.413  -2.953  1.00  0.00              
ATOM   1229 NE   ARG    78     -10.470  14.857  -4.862  1.00  0.00              
ATOM   1230 HE   ARG    78     -10.822  14.316  -5.646  1.00  0.00              
ATOM   1231 CZ   ARG    78     -10.021  16.063  -5.153  1.00  0.00              
ATOM   1232 NH1  ARG    78      -9.684  16.918  -4.228  1.00  0.00              
ATOM   1233 HH11 ARG    78      -9.794  16.660  -3.261  1.00  0.00              
ATOM   1234 HH12 ARG    78      -9.347  17.835  -4.467  1.00  0.00              
ATOM   1235 NH2  ARG    78      -9.894  16.431  -6.395  1.00  0.00              
ATOM   1236 HH21 ARG    78     -10.052  15.763  -7.147  1.00  0.00              
ATOM   1237 HH22 ARG    78      -9.557  17.351  -6.623  1.00  0.00              
ATOM   1238 C    ARG    78      -8.278  11.018  -6.151  1.00  0.00              
ATOM   1239 O    ARG    78      -8.144  10.888  -7.365  1.00  0.00              
ATOM   1240 N    LEU    79      -7.431  10.458  -5.280  1.00  0.00              
ATOM   1241 H    LEU    79      -7.566  10.628  -4.295  1.00  0.00              
ATOM   1242 CA   LEU    79      -6.370   9.519  -5.696  1.00  0.00              
ATOM   1243 HA   LEU    79      -5.691  10.019  -6.379  1.00  0.00              
ATOM   1244 CB   LEU    79      -5.584   9.008  -4.472  1.00  0.00              
ATOM   1245 HB2  LEU    79      -6.300   8.687  -3.713  1.00  0.00              
ATOM   1246 HB3  LEU    79      -5.016   8.125  -4.773  1.00  0.00              
ATOM   1247 CG   LEU    79      -4.604  10.020  -3.850  1.00  0.00              
ATOM   1248 HG   LEU    79      -5.131  10.945  -3.618  1.00  0.00              
ATOM   1249 CD1  LEU    79      -4.037   9.444  -2.552  1.00  0.00              
ATOM   1250 HD11 LEU    79      -4.846   9.250  -1.847  1.00  0.00              
ATOM   1251 HD12 LEU    79      -3.503   8.515  -2.753  1.00  0.00              
ATOM   1252 HD13 LEU    79      -3.350  10.161  -2.100  1.00  0.00              
ATOM   1253 CD2  LEU    79      -3.427  10.328  -4.779  1.00  0.00              
ATOM   1254 HD21 LEU    79      -2.919   9.407  -5.066  1.00  0.00              
ATOM   1255 HD22 LEU    79      -3.778  10.843  -5.670  1.00  0.00              
ATOM   1256 HD23 LEU    79      -2.717  10.982  -4.271  1.00  0.00              
ATOM   1257 C    LEU    79      -7.040   8.347  -6.433  1.00  0.00              
ATOM   1258 O    LEU    79      -7.929   7.711  -5.870  1.00  0.00              
ATOM   1259 N    TYR    80      -6.664   8.066  -7.683  1.00  0.00              
ATOM   1260 H    TYR    80      -5.924   8.600  -8.119  1.00  0.00              
ATOM   1261 CA   TYR    80      -7.357   7.044  -8.475  1.00  0.00              
ATOM   1262 HA   TYR    80      -8.390   7.075  -8.146  1.00  0.00              
ATOM   1263 CB   TYR    80      -7.442   7.448  -9.950  1.00  0.00              
ATOM   1264 HB2  TYR    80      -6.839   8.339 -10.135  1.00  0.00              
ATOM   1265 HB3  TYR    80      -7.037   6.631 -10.532  1.00  0.00              
ATOM   1266 CG   TYR    80      -8.856   7.725 -10.427  1.00  0.00              
ATOM   1267 CD1  TYR    80      -9.532   8.866  -9.958  1.00  0.00              
ATOM   1268 HD1  TYR    80      -9.033   9.553  -9.287  1.00  0.00              
ATOM   1269 CE1  TYR    80     -10.867   9.105 -10.337  1.00  0.00              
ATOM   1270 HE1  TYR    80     -11.379   9.981  -9.977  1.00  0.00              
ATOM   1271 CZ   TYR    80     -11.545   8.182 -11.161  1.00  0.00              
ATOM   1272 OH   TYR    80     -12.861   8.362 -11.453  1.00  0.00              
ATOM   1273 HH   TYR    80     -13.211   9.172 -11.043  1.00  0.00              
ATOM   1274 CE2  TYR    80     -10.859   7.047 -11.648  1.00  0.00              
ATOM   1275 HE2  TYR    80     -11.378   6.344 -12.284  1.00  0.00              
ATOM   1276 CD2  TYR    80      -9.516   6.822 -11.285  1.00  0.00              
ATOM   1277 HD2  TYR    80      -9.006   5.940 -11.652  1.00  0.00              
ATOM   1278 C    TYR    80      -6.870   5.595  -8.243  1.00  0.00              
ATOM   1279 O    TYR    80      -5.672   5.323  -8.176  1.00  0.00              
ATOM   1280 N    PHE    81      -7.836   4.664  -8.182  1.00  0.00              
ATOM   1281 H    PHE    81      -8.744   4.972  -8.487  1.00  0.00              
ATOM   1282 CA   PHE    81      -7.661   3.208  -8.056  1.00  0.00              
ATOM   1283 HA   PHE    81      -6.765   3.026  -8.580  1.00  0.00              
ATOM   1284 CB   PHE    81      -7.470   2.679  -6.617  1.00  0.00              
ATOM   1285 HB2  PHE    81      -8.443   2.619  -6.142  1.00  0.00              
ATOM   1286 HB3  PHE    81      -7.105   1.652  -6.706  1.00  0.00              
ATOM   1287 CG   PHE    81      -6.532   3.422  -5.668  1.00  0.00              
ATOM   1288 CD1  PHE    81      -6.945   4.621  -5.054  1.00  0.00              
ATOM   1289 HD1  PHE    81      -7.898   5.059  -5.301  1.00  0.00              
ATOM   1290 CE1  PHE    81      -6.128   5.263  -4.107  1.00  0.00              
ATOM   1291 HE1  PHE    81      -6.465   6.177  -3.639  1.00  0.00              
ATOM   1292 CZ   PHE    81      -4.886   4.709  -3.758  1.00  0.00              
ATOM   1293 HZ   PHE    81      -4.258   5.200  -3.027  1.00  0.00              
ATOM   1294 CE2  PHE    81      -4.466   3.507  -4.353  1.00  0.00              
ATOM   1295 HE2  PHE    81      -3.514   3.076  -4.066  1.00  0.00              
ATOM   1296 CD2  PHE    81      -5.286   2.866  -5.304  1.00  0.00              
ATOM   1297 HD2  PHE    81      -4.958   1.933  -5.739  1.00  0.00              
ATOM   1298 C    PHE    81      -8.741   2.421  -8.822  1.00  0.00              
ATOM   1299 O    PHE    81      -9.921   2.747  -8.704  1.00  0.00              
ATOM   1300 N    SER    82      -8.334   1.357  -9.529  1.00  0.00              
ATOM   1301 H    SER    82      -7.351   1.130  -9.491  1.00  0.00              
ATOM   1302 CA   SER    82      -9.169   0.549 -10.443  1.00  0.00              
ATOM   1303 HA   SER    82     -10.211   0.693 -10.165  1.00  0.00              
ATOM   1304 CB   SER    82      -8.996   1.092 -11.873  1.00  0.00              
ATOM   1305 HB2  SER    82      -7.995   0.851 -12.231  1.00  0.00              
ATOM   1306 HB3  SER    82      -9.713   0.594 -12.521  1.00  0.00              
ATOM   1307 OG   SER    82      -9.191   2.497 -11.944  1.00  0.00              
ATOM   1308 HG   SER    82      -9.222   2.755 -12.877  1.00  0.00              
ATOM   1309 C    SER    82      -9.009  -0.990 -10.484  1.00  0.00              
ATOM   1310 O    SER    82      -9.664  -1.581 -11.344  1.00  0.00              
ATOM   1311 N    MET    83      -8.142  -1.652  -9.684  1.00  0.00              
ATOM   1312 H    MET    83      -7.349  -1.126  -9.315  1.00  0.00              
ATOM   1313 CA   MET    83      -8.046  -3.138  -9.579  1.00  0.00              
ATOM   1314 HA   MET    83      -7.304  -3.491 -10.298  1.00  0.00              
ATOM   1315 CB   MET    83      -7.591  -3.510  -8.146  1.00  0.00              
ATOM   1316 HB2  MET    83      -6.708  -2.936  -7.886  1.00  0.00              
ATOM   1317 HB3  MET    83      -8.369  -3.234  -7.437  1.00  0.00              
ATOM   1318 CG   MET    83      -7.279  -5.007  -7.965  1.00  0.00              
ATOM   1319 HG2  MET    83      -8.204  -5.577  -8.038  1.00  0.00              
ATOM   1320 HG3  MET    83      -6.629  -5.324  -8.782  1.00  0.00              
ATOM   1321 SD   MET    83      -6.460  -5.473  -6.408  1.00  0.00              
ATOM   1322 CE   MET    83      -7.774  -5.151  -5.199  1.00  0.00              
ATOM   1323 HE1  MET    83      -7.439  -5.461  -4.209  1.00  0.00              
ATOM   1324 HE2  MET    83      -7.998  -4.085  -5.175  1.00  0.00              
ATOM   1325 HE3  MET    83      -8.671  -5.710  -5.465  1.00  0.00              
ATOM   1326 C    MET    83      -9.387  -3.871  -9.838  1.00  0.00              
ATOM   1327 O    MET    83     -10.437  -3.416  -9.386  1.00  0.00              
ATOM   1328 N    ASP    84      -9.355  -5.053 -10.470  1.00  0.00              
ATOM   1329 H    ASP    84      -8.469  -5.393 -10.820  1.00  0.00              
ATOM   1330 CA   ASP    84     -10.569  -5.792 -10.878  1.00  0.00              
ATOM   1331 HA   ASP    84     -11.061  -5.193 -11.639  1.00  0.00              
ATOM   1332 CB   ASP    84     -10.155  -7.111 -11.540  1.00  0.00              
ATOM   1333 HB2  ASP    84      -9.418  -6.903 -12.319  1.00  0.00              
ATOM   1334 HB3  ASP    84      -9.683  -7.748 -10.796  1.00  0.00              
ATOM   1335 CG   ASP    84     -11.351  -7.841 -12.172  1.00  0.00              
ATOM   1336 OD1  ASP    84     -11.871  -7.362 -13.210  1.00  0.00              
ATOM   1337 OD2  ASP    84     -11.756  -8.910 -11.655  1.00  0.00              
ATOM   1338 C    ASP    84     -11.612  -6.025  -9.759  1.00  0.00              
ATOM   1339 O    ASP    84     -12.815  -6.013 -10.030  1.00  0.00              
ATOM   1340 N    ASP    85     -11.168  -6.173  -8.503  1.00  0.00              
ATOM   1341 H    ASP    85     -10.171  -6.228  -8.368  1.00  0.00              
ATOM   1342 CA   ASP    85     -12.032  -6.286  -7.313  1.00  0.00              
ATOM   1343 HA   ASP    85     -13.071  -6.320  -7.642  1.00  0.00              
ATOM   1344 CB   ASP    85     -11.734  -7.623  -6.614  1.00  0.00              
ATOM   1345 HB2  ASP    85     -11.678  -8.412  -7.367  1.00  0.00              
ATOM   1346 HB3  ASP    85     -10.760  -7.560  -6.123  1.00  0.00              
ATOM   1347 CG   ASP    85     -12.821  -8.018  -5.596  1.00  0.00              
ATOM   1348 OD1  ASP    85     -12.484  -8.301  -4.422  1.00  0.00              
ATOM   1349 OD2  ASP    85     -14.014  -8.103  -5.983  1.00  0.00              
ATOM   1350 C    ASP    85     -11.926  -5.066  -6.358  1.00  0.00              
ATOM   1351 O    ASP    85     -12.510  -5.068  -5.273  1.00  0.00              
ATOM   1352 N    GLY    86     -11.160  -4.028  -6.731  1.00  0.00              
ATOM   1353 H    GLY    86     -10.836  -4.001  -7.696  1.00  0.00              
ATOM   1354 CA   GLY    86     -10.905  -2.825  -5.930  1.00  0.00              
ATOM   1355 HA2  GLY    86     -11.683  -2.707  -5.174  1.00  0.00              
ATOM   1356 HA3  GLY    86      -9.957  -2.941  -5.408  1.00  0.00              
ATOM   1357 C    GLY    86     -10.851  -1.543  -6.765  1.00  0.00              
ATOM   1358 O    GLY    86      -9.771  -1.070  -7.122  1.00  0.00              
ATOM   1359 N    GLN    87     -11.994  -0.894  -6.972  1.00  0.00              
ATOM   1360 H    GLN    87     -12.836  -1.305  -6.592  1.00  0.00              
ATOM   1361 CA   GLN    87     -12.126   0.346  -7.759  1.00  0.00              
ATOM   1362 HA   GLN    87     -11.260   0.457  -8.407  1.00  0.00              
ATOM   1363 CB   GLN    87     -13.382   0.262  -8.650  1.00  0.00              
ATOM   1364 HB2  GLN    87     -13.511   1.211  -9.172  1.00  0.00              
ATOM   1365 HB3  GLN    87     -13.237  -0.506  -9.411  1.00  0.00              
ATOM   1366 CG   GLN    87     -14.677  -0.064  -7.880  1.00  0.00              
ATOM   1367 HG2  GLN    87     -14.708  -1.129  -7.645  1.00  0.00              
ATOM   1368 HG3  GLN    87     -14.715   0.489  -6.938  1.00  0.00              
ATOM   1369 CD   GLN    87     -15.892   0.302  -8.722  1.00  0.00              
ATOM   1370 OE1  GLN    87     -16.566   1.300  -8.488  1.00  0.00              
ATOM   1371 NE2  GLN    87     -16.177  -0.443  -9.767  1.00  0.00              
ATOM   1372 HE21 GLN    87     -16.912  -0.137 -10.382  1.00  0.00              
ATOM   1373 HE22 GLN    87     -15.625  -1.260  -9.983  1.00  0.00              
ATOM   1374 C    GLN    87     -12.129   1.543  -6.799  1.00  0.00              
ATOM   1375 O    GLN    87     -13.010   2.403  -6.815  1.00  0.00              
ATOM   1376 N    THR    88     -11.100   1.600  -5.948  1.00  0.00              
ATOM   1377 H    THR    88     -10.405   0.862  -5.992  1.00  0.00              
ATOM   1378 CA   THR    88     -10.995   2.570  -4.849  1.00  0.00              
ATOM   1379 HA   THR    88     -12.029   2.803  -4.655  1.00  0.00              
ATOM   1380 CB   THR    88     -10.452   1.920  -3.572  1.00  0.00              
ATOM   1381 HB   THR    88     -10.456   2.646  -2.764  1.00  0.00              
ATOM   1382 CG2  THR    88     -11.311   0.720  -3.167  1.00  0.00              
ATOM   1383 HG21 THR    88     -11.126  -0.126  -3.830  1.00  0.00              
ATOM   1384 HG22 THR    88     -11.071   0.439  -2.143  1.00  0.00              
ATOM   1385 HG23 THR    88     -12.370   0.980  -3.220  1.00  0.00              
ATOM   1386 OG1  THR    88      -9.143   1.457  -3.801  1.00  0.00              
ATOM   1387 HG1  THR    88      -8.544   2.203  -3.668  1.00  0.00              
ATOM   1388 C    THR    88     -10.557   4.006  -5.068  1.00  0.00              
ATOM   1389 O    THR    88     -10.135   4.648  -4.117  1.00  0.00              
ATOM   1390 N    ARG    89     -10.664   4.479  -6.311  1.00  0.00              
ATOM   1391 H    ARG    89     -10.449   3.715  -6.965  1.00  0.00              
ATOM   1392 CA   ARG    89     -10.466   5.866  -6.832  1.00  0.00              
ATOM   1393 HA   ARG    89      -9.398   6.021  -6.806  1.00  0.00              
ATOM   1394 CB   ARG    89     -10.955   5.905  -8.307  1.00  0.00              
ATOM   1395 HB2  ARG    89     -10.876   6.923  -8.674  1.00  0.00              
ATOM   1396 HB3  ARG    89     -10.278   5.317  -8.919  1.00  0.00              
ATOM   1397 CG   ARG    89     -12.368   5.393  -8.647  1.00  0.00              
ATOM   1398 HG2  ARG    89     -12.500   5.498  -9.724  1.00  0.00              
ATOM   1399 HG3  ARG    89     -12.434   4.332  -8.420  1.00  0.00              
ATOM   1400 CD   ARG    89     -13.515   6.141  -7.955  1.00  0.00              
ATOM   1401 HD2  ARG    89     -13.555   5.870  -6.899  1.00  0.00              
ATOM   1402 HD3  ARG    89     -13.318   7.213  -8.031  1.00  0.00              
ATOM   1403 NE   ARG    89     -14.817   5.886  -8.609  1.00  0.00              
ATOM   1404 HE   ARG    89     -15.180   6.646  -9.166  1.00  0.00              
ATOM   1405 CZ   ARG    89     -15.576   4.805  -8.553  1.00  0.00              
ATOM   1406 NH1  ARG    89     -15.253   3.736  -7.887  1.00  0.00              
ATOM   1407 HH11 ARG    89     -14.361   3.662  -7.414  1.00  0.00              
ATOM   1408 HH12 ARG    89     -15.847   2.916  -7.944  1.00  0.00              
ATOM   1409 NH2  ARG    89     -16.710   4.766  -9.192  1.00  0.00              
ATOM   1410 HH21 ARG    89     -17.023   5.560  -9.728  1.00  0.00              
ATOM   1411 HH22 ARG    89     -17.283   3.938  -9.154  1.00  0.00              
ATOM   1412 C    ARG    89     -10.957   7.122  -6.033  1.00  0.00              
ATOM   1413 O    ARG    89     -11.472   8.087  -6.597  1.00  0.00              
ATOM   1414 N    PHE    90     -10.748   7.154  -4.727  1.00  0.00              
ATOM   1415 H    PHE    90     -10.230   6.375  -4.345  1.00  0.00              
ATOM   1416 CA   PHE    90     -10.995   8.227  -3.765  1.00  0.00              
ATOM   1417 HA   PHE    90     -11.038   9.184  -4.287  1.00  0.00              
ATOM   1418 CB   PHE    90     -12.348   7.979  -3.081  1.00  0.00              
ATOM   1419 HB2  PHE    90     -13.100   7.787  -3.849  1.00  0.00              
ATOM   1420 HB3  PHE    90     -12.274   7.080  -2.469  1.00  0.00              
ATOM   1421 CG   PHE    90     -12.841   9.136  -2.232  1.00  0.00              
ATOM   1422 CD1  PHE    90     -12.742   9.087  -0.828  1.00  0.00              
ATOM   1423 HD1  PHE    90     -12.315   8.220  -0.342  1.00  0.00              
ATOM   1424 CE1  PHE    90     -13.192  10.168  -0.050  1.00  0.00              
ATOM   1425 HE1  PHE    90     -13.128  10.122   1.029  1.00  0.00              
ATOM   1426 CZ   PHE    90     -13.734  11.306  -0.672  1.00  0.00              
ATOM   1427 HZ   PHE    90     -14.080  12.139  -0.073  1.00  0.00              
ATOM   1428 CE2  PHE    90     -13.833  11.360  -2.074  1.00  0.00              
ATOM   1429 HE2  PHE    90     -14.255  12.234  -2.553  1.00  0.00              
ATOM   1430 CD2  PHE    90     -13.388  10.276  -2.853  1.00  0.00              
ATOM   1431 HD2  PHE    90     -13.473  10.319  -3.931  1.00  0.00              
ATOM   1432 C    PHE    90      -9.810   8.248  -2.767  1.00  0.00              
ATOM   1433 O    PHE    90      -8.927   7.390  -2.831  1.00  0.00              
ATOM   1434 N    THR    91      -9.741   9.219  -1.850  1.00  0.00              
ATOM   1435 H    THR    91     -10.482   9.906  -1.797  1.00  0.00              
ATOM   1436 CA   THR    91      -8.619   9.338  -0.896  1.00  0.00              
ATOM   1437 HA   THR    91      -7.692   9.406  -1.476  1.00  0.00              
ATOM   1438 CB   THR    91      -8.750  10.618  -0.054  1.00  0.00              
ATOM   1439 HB   THR    91      -9.639  10.552   0.572  1.00  0.00              
ATOM   1440 CG2  THR    91      -7.526  10.877   0.824  1.00  0.00              
ATOM   1441 HG21 THR    91      -7.413  10.080   1.557  1.00  0.00              
ATOM   1442 HG22 THR    91      -6.627  10.932   0.208  1.00  0.00              
ATOM   1443 HG23 THR    91      -7.649  11.819   1.361  1.00  0.00              
ATOM   1444 OG1  THR    91      -8.877  11.727  -0.914  1.00  0.00              
ATOM   1445 HG1  THR    91      -8.949  12.520  -0.366  1.00  0.00              
ATOM   1446 C    THR    91      -8.568   8.095   0.006  1.00  0.00              
ATOM   1447 O    THR    91      -9.475   7.861   0.806  1.00  0.00              
ATOM   1448 N    ASP    92      -7.485   7.314  -0.076  1.00  0.00              
ATOM   1449 H    ASP    92      -6.739   7.565  -0.707  1.00  0.00              
ATOM   1450 CA   ASP    92      -7.357   6.035   0.634  1.00  0.00              
ATOM   1451 HA   ASP    92      -8.234   5.427   0.408  1.00  0.00              
ATOM   1452 CB   ASP    92      -6.124   5.291   0.105  1.00  0.00              
ATOM   1453 HB2  ASP    92      -6.189   5.229  -0.982  1.00  0.00              
ATOM   1454 HB3  ASP    92      -5.226   5.859   0.355  1.00  0.00              
ATOM   1455 CG   ASP    92      -6.022   3.865   0.674  1.00  0.00              
ATOM   1456 OD1  ASP    92      -5.170   3.628   1.561  1.00  0.00              
ATOM   1457 OD2  ASP    92      -6.773   2.976   0.201  1.00  0.00              
ATOM   1458 C    ASP    92      -7.306   6.217   2.154  1.00  0.00              
ATOM   1459 O    ASP    92      -7.873   5.411   2.883  1.00  0.00              
ATOM   1460 N    LEU    93      -6.728   7.327   2.634  1.00  0.00              
ATOM   1461 H    LEU    93      -6.257   7.937   1.979  1.00  0.00              
ATOM   1462 CA   LEU    93      -6.651   7.645   4.064  1.00  0.00              
ATOM   1463 HA   LEU    93      -6.196   6.782   4.547  1.00  0.00              
ATOM   1464 CB   LEU    93      -5.708   8.854   4.234  1.00  0.00              
ATOM   1465 HB2  LEU    93      -4.758   8.579   3.773  1.00  0.00              
ATOM   1466 HB3  LEU    93      -6.100   9.711   3.682  1.00  0.00              
ATOM   1467 CG   LEU    93      -5.434   9.275   5.696  1.00  0.00              
ATOM   1468 HG   LEU    93      -5.478   8.400   6.345  1.00  0.00              
ATOM   1469 CD1  LEU    93      -4.035   9.885   5.811  1.00  0.00              
ATOM   1470 HD11 LEU    93      -3.950  10.758   5.163  1.00  0.00              
ATOM   1471 HD12 LEU    93      -3.843  10.181   6.843  1.00  0.00              
ATOM   1472 HD13 LEU    93      -3.287   9.147   5.520  1.00  0.00              
ATOM   1473 CD2  LEU    93      -6.419  10.338   6.198  1.00  0.00              
ATOM   1474 HD21 LEU    93      -6.367  11.227   5.568  1.00  0.00              
ATOM   1475 HD22 LEU    93      -7.437   9.959   6.192  1.00  0.00              
ATOM   1476 HD23 LEU    93      -6.169  10.614   7.223  1.00  0.00              
ATOM   1477 C    LEU    93      -8.035   7.846   4.710  1.00  0.00              
ATOM   1478 O    LEU    93      -8.234   7.469   5.865  1.00  0.00              
ATOM   1479 N    LEU    94      -9.011   8.383   3.965  1.00  0.00              
ATOM   1480 H    LEU    94      -8.800   8.626   3.007  1.00  0.00              
ATOM   1481 CA   LEU    94     -10.394   8.536   4.441  1.00  0.00              
ATOM   1482 HA   LEU    94     -10.374   8.884   5.475  1.00  0.00              
ATOM   1483 CB   LEU    94     -11.132   9.588   3.588  1.00  0.00              
ATOM   1484 HB2  LEU    94     -11.145   9.254   2.550  1.00  0.00              
ATOM   1485 HB3  LEU    94     -12.167   9.640   3.931  1.00  0.00              
ATOM   1486 CG   LEU    94     -10.529  11.008   3.647  1.00  0.00              
ATOM   1487 HG   LEU    94      -9.510  10.985   3.264  1.00  0.00              
ATOM   1488 CD1  LEU    94     -11.345  11.958   2.770  1.00  0.00              
ATOM   1489 HD11 LEU    94     -11.346  11.604   1.740  1.00  0.00              
ATOM   1490 HD12 LEU    94     -12.373  12.014   3.131  1.00  0.00              
ATOM   1491 HD13 LEU    94     -10.903  12.954   2.791  1.00  0.00              
ATOM   1492 CD2  LEU    94     -10.504  11.587   5.064  1.00  0.00              
ATOM   1493 HD21 LEU    94     -11.506  11.565   5.496  1.00  0.00              
ATOM   1494 HD22 LEU    94      -9.824  11.014   5.693  1.00  0.00              
ATOM   1495 HD23 LEU    94     -10.148  12.617   5.037  1.00  0.00              
ATOM   1496 C    LEU    94     -11.132   7.186   4.464  1.00  0.00              
ATOM   1497 O    LEU    94     -11.881   6.905   5.400  1.00  0.00              
ATOM   1498 N    GLN    95     -10.878   6.319   3.476  1.00  0.00              
ATOM   1499 H    GLN    95     -10.289   6.628   2.712  1.00  0.00              
ATOM   1500 CA   GLN    95     -11.420   4.954   3.427  1.00  0.00              
ATOM   1501 HA   GLN    95     -12.474   4.996   3.707  1.00  0.00              
ATOM   1502 CB   GLN    95     -11.311   4.411   1.986  1.00  0.00              
ATOM   1503 HB2  GLN    95     -10.727   5.087   1.358  1.00  0.00              
ATOM   1504 HB3  GLN    95     -10.775   3.465   2.006  1.00  0.00              
ATOM   1505 CG   GLN    95     -12.682   4.173   1.329  1.00  0.00              
ATOM   1506 HG2  GLN    95     -12.542   3.506   0.478  1.00  0.00              
ATOM   1507 HG3  GLN    95     -13.353   3.675   2.031  1.00  0.00              
ATOM   1508 CD   GLN    95     -13.327   5.458   0.810  1.00  0.00              
ATOM   1509 OE1  GLN    95     -13.303   5.748  -0.377  1.00  0.00              
ATOM   1510 NE2  GLN    95     -13.923   6.278   1.653  1.00  0.00              
ATOM   1511 HE21 GLN    95     -14.320   7.128   1.283  1.00  0.00              
ATOM   1512 HE22 GLN    95     -14.009   6.053   2.631  1.00  0.00              
ATOM   1513 C    GLN    95     -10.764   4.001   4.447  1.00  0.00              
ATOM   1514 O    GLN    95     -11.426   3.091   4.941  1.00  0.00              
ATOM   1515 N    LEU    96      -9.500   4.227   4.824  1.00  0.00              
ATOM   1516 H    LEU    96      -8.979   4.932   4.310  1.00  0.00              
ATOM   1517 CA   LEU    96      -8.757   3.435   5.817  1.00  0.00              
ATOM   1518 HA   LEU    96      -8.702   2.407   5.459  1.00  0.00              
ATOM   1519 CB   LEU    96      -7.316   3.983   5.893  1.00  0.00              
ATOM   1520 HB2  LEU    96      -6.916   3.952   4.878  1.00  0.00              
ATOM   1521 HB3  LEU    96      -7.335   5.027   6.203  1.00  0.00              
ATOM   1522 CG   LEU    96      -6.344   3.203   6.807  1.00  0.00              
ATOM   1523 HG   LEU    96      -6.595   2.143   6.789  1.00  0.00              
ATOM   1524 CD1  LEU    96      -4.909   3.365   6.298  1.00  0.00              
ATOM   1525 HD11 LEU    96      -4.222   2.812   6.939  1.00  0.00              
ATOM   1526 HD12 LEU    96      -4.830   2.968   5.286  1.00  0.00              
ATOM   1527 HD13 LEU    96      -4.628   4.418   6.293  1.00  0.00              
ATOM   1528 CD2  LEU    96      -6.349   3.705   8.257  1.00  0.00              
ATOM   1529 HD21 LEU    96      -6.103   4.766   8.288  1.00  0.00              
ATOM   1530 HD22 LEU    96      -7.320   3.551   8.719  1.00  0.00              
ATOM   1531 HD23 LEU    96      -5.611   3.152   8.838  1.00  0.00              
ATOM   1532 C    LEU    96      -9.466   3.403   7.180  1.00  0.00              
ATOM   1533 O    LEU    96      -9.458   2.367   7.840  1.00  0.00              
ATOM   1534 N    VAL    97     -10.144   4.490   7.567  1.00  0.00              
ATOM   1535 H    VAL    97     -10.078   5.313   6.982  1.00  0.00              
ATOM   1536 CA   VAL    97     -10.958   4.563   8.800  1.00  0.00              
ATOM   1537 HA   VAL    97     -10.300   4.402   9.655  1.00  0.00              
ATOM   1538 CB   VAL    97     -11.601   5.960   8.947  1.00  0.00              
ATOM   1539 HB   VAL    97     -12.292   6.124   8.120  1.00  0.00              
ATOM   1540 CG1  VAL    97     -12.380   6.105  10.262  1.00  0.00              
ATOM   1541 HG11 VAL    97     -12.777   7.117  10.349  1.00  0.00              
ATOM   1542 HG12 VAL    97     -13.222   5.413  10.284  1.00  0.00              
ATOM   1543 HG13 VAL    97     -11.725   5.904  11.110  1.00  0.00              
ATOM   1544 CG2  VAL    97     -10.543   7.073   8.924  1.00  0.00              
ATOM   1545 HG21 VAL    97      -9.810   6.908   9.715  1.00  0.00              
ATOM   1546 HG22 VAL    97     -10.034   7.098   7.962  1.00  0.00              
ATOM   1547 HG23 VAL    97     -11.019   8.042   9.074  1.00  0.00              
ATOM   1548 C    VAL    97     -12.040   3.467   8.836  1.00  0.00              
ATOM   1549 O    VAL    97     -12.270   2.858   9.880  1.00  0.00              
ATOM   1550 N    GLU    98     -12.678   3.180   7.696  1.00  0.00              
ATOM   1551 H    GLU    98     -12.404   3.682   6.861  1.00  0.00              
ATOM   1552 CA   GLU    98     -13.655   2.091   7.540  1.00  0.00              
ATOM   1553 HA   GLU    98     -14.257   2.003   8.449  1.00  0.00              
ATOM   1554 CB   GLU    98     -14.585   2.435   6.363  1.00  0.00              
ATOM   1555 HB2  GLU    98     -15.069   3.393   6.554  1.00  0.00              
ATOM   1556 HB3  GLU    98     -13.983   2.539   5.460  1.00  0.00              
ATOM   1557 CG   GLU    98     -15.660   1.379   6.087  1.00  0.00              
ATOM   1558 HG2  GLU    98     -16.125   1.617   5.128  1.00  0.00              
ATOM   1559 HG3  GLU    98     -15.181   0.404   5.972  1.00  0.00              
ATOM   1560 CD   GLU    98     -16.741   1.337   7.187  1.00  0.00              
ATOM   1561 OE1  GLU    98     -17.824   1.947   6.998  1.00  0.00              
ATOM   1562 OE2  GLU    98     -16.524   0.697   8.244  1.00  0.00              
ATOM   1563 C    GLU    98     -12.968   0.729   7.342  1.00  0.00              
ATOM   1564 O    GLU    98     -13.314  -0.246   8.007  1.00  0.00              
ATOM   1565 N    PHE    99     -11.971   0.643   6.456  1.00  0.00              
ATOM   1566 H    PHE    99     -11.787   1.452   5.872  1.00  0.00              
ATOM   1567 CA   PHE    99     -11.254  -0.610   6.180  1.00  0.00              
ATOM   1568 HA   PHE    99     -11.999  -1.376   5.964  1.00  0.00              
ATOM   1569 CB   PHE    99     -10.363  -0.427   4.939  1.00  0.00              
ATOM   1570 HB2  PHE    99      -9.775   0.482   5.066  1.00  0.00              
ATOM   1571 HB3  PHE    99      -9.649  -1.247   4.884  1.00  0.00              
ATOM   1572 CG   PHE    99     -11.101  -0.374   3.610  1.00  0.00              
ATOM   1573 CD1  PHE    99     -10.825   0.661   2.697  1.00  0.00              
ATOM   1574 HD1  PHE    99     -10.101   1.423   2.951  1.00  0.00              
ATOM   1575 CE1  PHE    99     -11.492   0.712   1.458  1.00  0.00              
ATOM   1576 HE1  PHE    99     -11.281   1.507   0.756  1.00  0.00              
ATOM   1577 CZ   PHE    99     -12.442  -0.270   1.128  1.00  0.00              
ATOM   1578 HZ   PHE    99     -12.961  -0.227   0.179  1.00  0.00              
ATOM   1579 CE2  PHE    99     -12.709  -1.314   2.030  1.00  0.00              
ATOM   1580 HE2  PHE    99     -13.435  -2.075   1.774  1.00  0.00              
ATOM   1581 CD2  PHE    99     -12.034  -1.372   3.262  1.00  0.00              
ATOM   1582 HD2  PHE    99     -12.249  -2.187   3.939  1.00  0.00              
ATOM   1583 C    PHE    99     -10.440  -1.157   7.369  1.00  0.00              
ATOM   1584 O    PHE    99     -10.131  -2.345   7.376  1.00  0.00              
ATOM   1585 N    HIP   100     -10.116  -0.339   8.379  1.00  0.00              
ATOM   1586 H    HIP   100     -10.362   0.639   8.261  1.00  0.00              
ATOM   1587 CA   HIP   100      -9.270  -0.669   9.542  1.00  0.00              
ATOM   1588 HA   HIP   100      -8.224  -0.618   9.232  1.00  0.00              
ATOM   1589 CB   HIP   100      -9.508   0.419  10.611  1.00  0.00              
ATOM   1590 HB2  HIP   100      -9.112   1.369  10.250  1.00  0.00              
ATOM   1591 HB3  HIP   100     -10.582   0.549  10.760  1.00  0.00              
ATOM   1592 CG   HIP   100      -8.876   0.126  11.950  1.00  0.00              
ATOM   1593 ND1  HIP   100      -9.554  -0.114  13.134  1.00  0.00              
ATOM   1594 HD1  HIP   100     -10.563  -0.095  13.263  1.00  0.00              
ATOM   1595 CE1  HIP   100      -8.639  -0.350  14.097  1.00  0.00              
ATOM   1596 HE1  HIP   100      -8.859  -0.567  15.141  1.00  0.00              
ATOM   1597 NE2  HIP   100      -7.405  -0.266  13.555  1.00  0.00              
ATOM   1598 HE2  HIP   100      -6.529  -0.403  14.055  1.00  0.00              
ATOM   1599 CD2  HIP   100      -7.536   0.036  12.209  1.00  0.00              
ATOM   1600 HD2  HIP   100      -6.730   0.170  11.494  1.00  0.00              
ATOM   1601 C    HIP   100      -9.488  -2.078  10.133  1.00  0.00              
ATOM   1602 O    HIP   100      -8.517  -2.802  10.357  1.00  0.00              
ATOM   1603 N    GLN   101     -10.743  -2.455  10.401  1.00  0.00              
ATOM   1604 H    GLN   101     -11.478  -1.795  10.191  1.00  0.00              
ATOM   1605 CA   GLN   101     -11.110  -3.746  10.997  1.00  0.00              
ATOM   1606 HA   GLN   101     -10.309  -4.014  11.689  1.00  0.00              
ATOM   1607 CB   GLN   101     -12.374  -3.624  11.881  1.00  0.00              
ATOM   1608 HB2  GLN   101     -12.530  -4.599  12.345  1.00  0.00              
ATOM   1609 HB3  GLN   101     -12.161  -2.928  12.694  1.00  0.00              
ATOM   1610 CG   GLN   101     -13.711  -3.215  11.224  1.00  0.00              
ATOM   1611 HG2  GLN   101     -13.889  -3.827  10.342  1.00  0.00              
ATOM   1612 HG3  GLN   101     -14.511  -3.439  11.931  1.00  0.00              
ATOM   1613 CD   GLN   101     -13.846  -1.735  10.841  1.00  0.00              
ATOM   1614 OE1  GLN   101     -13.000  -0.896  11.121  1.00  0.00              
ATOM   1615 NE2  GLN   101     -14.911  -1.365  10.164  1.00  0.00              
ATOM   1616 HE21 GLN   101     -14.877  -0.461   9.700  1.00  0.00              
ATOM   1617 HE22 GLN   101     -15.621  -2.033   9.911  1.00  0.00              
ATOM   1618 C    GLN   101     -11.160  -4.903   9.978  1.00  0.00              
ATOM   1619 O    GLN   101     -10.582  -5.961  10.230  1.00  0.00              
ATOM   1620 N    LEU   102     -11.821  -4.700   8.828  1.00  0.00              
ATOM   1621 H    LEU   102     -12.228  -3.788   8.678  1.00  0.00              
ATOM   1622 CA   LEU   102     -11.927  -5.658   7.717  1.00  0.00              
ATOM   1623 HA   LEU   102     -11.194  -6.455   7.842  1.00  0.00              
ATOM   1624 CB   LEU   102     -13.338  -6.298   7.653  1.00  0.00              
ATOM   1625 HB2  LEU   102     -14.089  -5.507   7.672  1.00  0.00              
ATOM   1626 HB3  LEU   102     -13.418  -6.773   6.673  1.00  0.00              
ATOM   1627 CG   LEU   102     -13.744  -7.386   8.672  1.00  0.00              
ATOM   1628 HG   LEU   102     -14.644  -7.857   8.277  1.00  0.00              
ATOM   1629 CD1  LEU   102     -12.697  -8.489   8.838  1.00  0.00              
ATOM   1630 HD11 LEU   102     -12.436  -8.899   7.864  1.00  0.00              
ATOM   1631 HD12 LEU   102     -11.802  -8.100   9.319  1.00  0.00              
ATOM   1632 HD13 LEU   102     -13.107  -9.290   9.454  1.00  0.00              
ATOM   1633 CD2  LEU   102     -14.115  -6.841  10.051  1.00  0.00              
ATOM   1634 HD21 LEU   102     -14.553  -7.641  10.649  1.00  0.00              
ATOM   1635 HD22 LEU   102     -13.237  -6.466  10.568  1.00  0.00              
ATOM   1636 HD23 LEU   102     -14.852  -6.045   9.946  1.00  0.00              
ATOM   1637 C    LEU   102     -11.589  -4.941   6.393  1.00  0.00              
ATOM   1638 O    LEU   102     -12.448  -4.321   5.759  1.00  0.00              
ATOM   1639 N    ASN   103     -10.314  -5.005   6.000  1.00  0.00              
ATOM   1640 H    ASN   103      -9.652  -5.363   6.674  1.00  0.00              
ATOM   1641 CA   ASN   103      -9.777  -4.364   4.789  1.00  0.00              
ATOM   1642 HA   ASN   103     -10.154  -3.343   4.770  1.00  0.00              
ATOM   1643 CB   ASN   103      -8.232  -4.303   4.875  1.00  0.00              
ATOM   1644 HB2  ASN   103      -7.817  -5.277   4.624  1.00  0.00              
ATOM   1645 HB3  ASN   103      -7.865  -3.595   4.133  1.00  0.00              
ATOM   1646 CG   ASN   103      -7.673  -3.921   6.240  1.00  0.00              
ATOM   1647 OD1  ASN   103      -7.681  -4.721   7.165  1.00  0.00              
ATOM   1648 ND2  ASN   103      -7.130  -2.735   6.398  1.00  0.00              
ATOM   1649 HD21 ASN   103      -6.756  -2.508   7.304  1.00  0.00              
ATOM   1650 HD22 ASN   103      -6.986  -2.129   5.606  1.00  0.00              
ATOM   1651 C    ASN   103     -10.257  -5.041   3.478  1.00  0.00              
ATOM   1652 O    ASN   103     -10.953  -6.056   3.502  1.00  0.00              
ATOM   1653 N    ARG   104      -9.875  -4.493   2.309  1.00  0.00              
ATOM   1654 H    ARG   104      -9.369  -3.612   2.315  1.00  0.00              
ATOM   1655 CA   ARG   104     -10.254  -5.041   0.986  1.00  0.00              
ATOM   1656 HA   ARG   104     -11.203  -5.572   1.097  1.00  0.00              
ATOM   1657 CB   ARG   104     -10.527  -3.867   0.032  1.00  0.00              
ATOM   1658 HB2  ARG   104     -11.002  -4.243  -0.876  1.00  0.00              
ATOM   1659 HB3  ARG   104     -11.241  -3.201   0.519  1.00  0.00              
ATOM   1660 CG   ARG   104      -9.268  -3.072  -0.363  1.00  0.00              
ATOM   1661 HG2  ARG   104      -8.611  -2.929   0.495  1.00  0.00              
ATOM   1662 HG3  ARG   104      -8.724  -3.612  -1.139  1.00  0.00              
ATOM   1663 CD   ARG   104      -9.691  -1.699  -0.884  1.00  0.00              
ATOM   1664 HD2  ARG   104     -10.418  -1.841  -1.687  1.00  0.00              
ATOM   1665 HD3  ARG   104     -10.183  -1.161  -0.075  1.00  0.00              
ATOM   1666 NE   ARG   104      -8.547  -0.931  -1.412  1.00  0.00              
ATOM   1667 HE   ARG   104      -8.214  -1.225  -2.316  1.00  0.00              
ATOM   1668 CZ   ARG   104      -7.987   0.157  -0.907  1.00  0.00              
ATOM   1669 NH1  ARG   104      -8.299   0.660   0.246  1.00  0.00              
ATOM   1670 HH11 ARG   104      -8.985   0.224   0.833  1.00  0.00              
ATOM   1671 HH12 ARG   104      -7.823   1.526   0.509  1.00  0.00              
ATOM   1672 NH2  ARG   104      -7.071   0.814  -1.546  1.00  0.00              
ATOM   1673 HH21 ARG   104      -6.789   0.557  -2.476  1.00  0.00              
ATOM   1674 HH22 ARG   104      -6.729   1.665  -1.096  1.00  0.00              
ATOM   1675 C    ARG   104      -9.287  -6.078   0.388  1.00  0.00              
ATOM   1676 O    ARG   104      -9.592  -6.649  -0.659  1.00  0.00              
ATOM   1677 N    GLY   105      -8.144  -6.324   1.042  1.00  0.00              
ATOM   1678 H    GLY   105      -8.104  -6.020   2.007  1.00  0.00              
ATOM   1679 CA   GLY   105      -7.063  -7.202   0.556  1.00  0.00              
ATOM   1680 HA2  GLY   105      -6.221  -7.180   1.248  1.00  0.00              
ATOM   1681 HA3  GLY   105      -7.440  -8.225   0.541  1.00  0.00              
ATOM   1682 C    GLY   105      -6.552  -6.893  -0.865  1.00  0.00              
ATOM   1683 O    GLY   105      -6.781  -5.816  -1.419  1.00  0.00              
ATOM   1684 N    ILE   106      -5.785  -7.840  -1.412  1.00  0.00              
ATOM   1685 H    ILE   106      -5.583  -8.652  -0.841  1.00  0.00              
ATOM   1686 CA   ILE   106      -5.294  -7.843  -2.813  1.00  0.00              
ATOM   1687 HA   ILE   106      -5.208  -6.818  -3.178  1.00  0.00              
ATOM   1688 CB   ILE   106      -3.893  -8.512  -2.837  1.00  0.00              
ATOM   1689 HB   ILE   106      -3.369  -8.207  -1.929  1.00  0.00              
ATOM   1690 CG2  ILE   106      -3.987 -10.045  -2.792  1.00  0.00              
ATOM   1691 HG21 ILE   106      -4.742 -10.370  -2.076  1.00  0.00              
ATOM   1692 HG22 ILE   106      -4.233 -10.448  -3.775  1.00  0.00              
ATOM   1693 HG23 ILE   106      -3.029 -10.453  -2.489  1.00  0.00              
ATOM   1694 CG1  ILE   106      -3.030  -8.024  -4.021  1.00  0.00              
ATOM   1695 HG12 ILE   106      -3.506  -8.281  -4.966  1.00  0.00              
ATOM   1696 HG13 ILE   106      -2.950  -6.937  -3.969  1.00  0.00              
ATOM   1697 CD1  ILE   106      -1.608  -8.607  -4.028  1.00  0.00              
ATOM   1698 HD11 ILE   106      -1.131  -8.454  -3.060  1.00  0.00              
ATOM   1699 HD12 ILE   106      -1.636  -9.674  -4.251  1.00  0.00              
ATOM   1700 HD13 ILE   106      -1.018  -8.110  -4.797  1.00  0.00              
ATOM   1701 C    ILE   106      -6.348  -8.588  -3.676  1.00  0.00              
ATOM   1702 O    ILE   106      -7.413  -8.915  -3.154  1.00  0.00              
ATOM   1703 N    LEU   107      -6.133  -8.856  -4.976  1.00  0.00              
ATOM   1704 H    LEU   107      -5.347  -8.438  -5.461  1.00  0.00              
ATOM   1705 CA   LEU   107      -7.078  -9.696  -5.745  1.00  0.00              
ATOM   1706 HA   LEU   107      -8.048  -9.210  -5.706  1.00  0.00              
ATOM   1707 CB   LEU   107      -6.628  -9.776  -7.221  1.00  0.00              
ATOM   1708 HB2  LEU   107      -5.602  -9.416  -7.311  1.00  0.00              
ATOM   1709 HB3  LEU   107      -6.630 -10.817  -7.548  1.00  0.00              
ATOM   1710 CG   LEU   107      -7.534  -8.973  -8.172  1.00  0.00              
ATOM   1711 HG   LEU   107      -7.671  -7.962  -7.786  1.00  0.00              
ATOM   1712 CD1  LEU   107      -6.880  -8.876  -9.550  1.00  0.00              
ATOM   1713 HD11 LEU   107      -5.913  -8.379  -9.465  1.00  0.00              
ATOM   1714 HD12 LEU   107      -6.736  -9.874  -9.968  1.00  0.00              
ATOM   1715 HD13 LEU   107      -7.509  -8.294 -10.222  1.00  0.00              
ATOM   1716 CD2  LEU   107      -8.903  -9.640  -8.326  1.00  0.00              
ATOM   1717 HD21 LEU   107      -8.788 -10.644  -8.737  1.00  0.00              
ATOM   1718 HD22 LEU   107      -9.410  -9.707  -7.365  1.00  0.00              
ATOM   1719 HD23 LEU   107      -9.530  -9.055  -8.995  1.00  0.00              
ATOM   1720 C    LEU   107      -7.157 -11.108  -5.070  1.00  0.00              
ATOM   1721 O    LEU   107      -6.143 -11.817  -5.060  1.00  0.00              
ATOM   1722 N    PRO   108      -8.273 -11.509  -4.418  1.00  0.00              
ATOM   1723 CD   PRO   108      -9.611 -10.931  -4.567  1.00  0.00              
ATOM   1724 HD2  PRO   108     -10.110 -11.324  -5.454  1.00  0.00              
ATOM   1725 HD3  PRO   108      -9.568  -9.845  -4.615  1.00  0.00              
ATOM   1726 CG   PRO   108     -10.392 -11.299  -3.307  1.00  0.00              
ATOM   1727 HG2  PRO   108     -10.873 -12.270  -3.438  1.00  0.00              
ATOM   1728 HG3  PRO   108     -11.128 -10.538  -3.049  1.00  0.00              
ATOM   1729 CB   PRO   108      -9.290 -11.399  -2.258  1.00  0.00              
ATOM   1730 HB2  PRO   108      -9.606 -11.999  -1.403  1.00  0.00              
ATOM   1731 HB3  PRO   108      -9.010 -10.403  -1.917  1.00  0.00              
ATOM   1732 CA   PRO   108      -8.142 -12.045  -3.050  1.00  0.00              
ATOM   1733 HA   PRO   108      -7.202 -11.700  -2.617  1.00  0.00              
ATOM   1734 C    PRO   108      -8.225 -13.566  -2.834  1.00  0.00              
ATOM   1735 O    PRO   108      -8.849 -14.322  -3.584  1.00  0.00              
ATOM   1736 N    CYS   109      -7.639 -13.965  -1.705  1.00  0.00              
ATOM   1737 H    CYS   109      -6.991 -13.310  -1.277  1.00  0.00              
ATOM   1738 CA   CYS   109      -7.609 -15.273  -1.060  1.00  0.00              
ATOM   1739 HA   CYS   109      -8.357 -15.937  -1.498  1.00  0.00              
ATOM   1740 CB   CYS   109      -6.208 -15.872  -1.223  1.00  0.00              
ATOM   1741 HB2  CYS   109      -5.477 -15.093  -1.438  1.00  0.00              
ATOM   1742 HB3  CYS   109      -5.916 -16.333  -0.286  1.00  0.00              
ATOM   1743 SG   CYS   109      -6.203 -17.093  -2.567  1.00  0.00              
ATOM   1744 HG   CYS   109      -6.618 -16.262  -3.535  1.00  0.00              
ATOM   1745 C    CYS   109      -7.997 -15.036   0.424  1.00  0.00              
ATOM   1746 O    CYS   109      -8.831 -15.755   0.979  1.00  0.00              
ATOM   1747 N    LEU   110      -7.431 -13.980   1.028  1.00  0.00              
ATOM   1748 H    LEU   110      -6.742 -13.480   0.471  1.00  0.00              
ATOM   1749 CA   LEU   110      -7.679 -13.412   2.365  1.00  0.00              
ATOM   1750 HA   LEU   110      -8.612 -13.810   2.767  1.00  0.00              
ATOM   1751 CB   LEU   110      -6.520 -13.701   3.353  1.00  0.00              
ATOM   1752 HB2  LEU   110      -5.578 -13.407   2.892  1.00  0.00              
ATOM   1753 HB3  LEU   110      -6.652 -13.037   4.209  1.00  0.00              
ATOM   1754 CG   LEU   110      -6.351 -15.116   3.947  1.00  0.00              
ATOM   1755 HG   LEU   110      -5.606 -15.030   4.739  1.00  0.00              
ATOM   1756 CD1  LEU   110      -7.636 -15.638   4.589  1.00  0.00              
ATOM   1757 HD11 LEU   110      -8.014 -14.909   5.307  1.00  0.00              
ATOM   1758 HD12 LEU   110      -8.393 -15.826   3.828  1.00  0.00              
ATOM   1759 HD13 LEU   110      -7.428 -16.569   5.116  1.00  0.00              
ATOM   1760 CD2  LEU   110      -5.825 -16.161   2.966  1.00  0.00              
ATOM   1761 HD21 LEU   110      -4.953 -15.771   2.446  1.00  0.00              
ATOM   1762 HD22 LEU   110      -5.537 -17.059   3.512  1.00  0.00              
ATOM   1763 HD23 LEU   110      -6.589 -16.428   2.242  1.00  0.00              
ATOM   1764 C    LEU   110      -7.861 -11.882   2.189  1.00  0.00              
ATOM   1765 O    LEU   110      -7.390 -11.323   1.195  1.00  0.00              
ATOM   1766 N    LEU   111      -8.516 -11.185   3.135  1.00  0.00              
ATOM   1767 H    LEU   111      -8.912 -11.692   3.914  1.00  0.00              
ATOM   1768 CA   LEU   111      -8.826  -9.744   2.980  1.00  0.00              
ATOM   1769 HA   LEU   111      -8.319  -9.404   2.081  1.00  0.00              
ATOM   1770 CB   LEU   111     -10.323  -9.543   2.647  1.00  0.00              
ATOM   1771 HB2  LEU   111     -10.442  -8.500   2.349  1.00  0.00              
ATOM   1772 HB3  LEU   111     -10.544 -10.130   1.754  1.00  0.00              
ATOM   1773 CG   LEU   111     -11.428  -9.838   3.684  1.00  0.00              
ATOM   1774 HG   LEU   111     -12.358  -9.469   3.250  1.00  0.00              
ATOM   1775 CD1  LEU   111     -11.629 -11.330   3.958  1.00  0.00              
ATOM   1776 HD11 LEU   111     -11.736 -11.867   3.015  1.00  0.00              
ATOM   1777 HD12 LEU   111     -10.793 -11.741   4.521  1.00  0.00              
ATOM   1778 HD13 LEU   111     -12.540 -11.468   4.542  1.00  0.00              
ATOM   1779 CD2  LEU   111     -11.245  -9.125   5.024  1.00  0.00              
ATOM   1780 HD21 LEU   111     -10.537  -9.656   5.655  1.00  0.00              
ATOM   1781 HD22 LEU   111     -10.890  -8.109   4.856  1.00  0.00              
ATOM   1782 HD23 LEU   111     -12.206  -9.082   5.534  1.00  0.00              
ATOM   1783 C    LEU   111      -8.283  -8.759   4.034  1.00  0.00              
ATOM   1784 O    LEU   111      -8.134  -7.582   3.710  1.00  0.00              
ATOM   1785 N    ARG   112      -7.953  -9.180   5.264  1.00  0.00              
ATOM   1786 H    ARG   112      -8.026 -10.166   5.475  1.00  0.00              
ATOM   1787 CA   ARG   112      -7.496  -8.249   6.322  1.00  0.00              
ATOM   1788 HA   ARG   112      -8.036  -7.309   6.182  1.00  0.00              
ATOM   1789 CB   ARG   112      -7.890  -8.754   7.724  1.00  0.00              
ATOM   1790 HB2  ARG   112      -7.696  -7.954   8.441  1.00  0.00              
ATOM   1791 HB3  ARG   112      -8.964  -8.948   7.732  1.00  0.00              
ATOM   1792 CG   ARG   112      -7.149 -10.024   8.184  1.00  0.00              
ATOM   1793 HG2  ARG   112      -7.297 -10.815   7.448  1.00  0.00              
ATOM   1794 HG3  ARG   112      -6.080  -9.825   8.265  1.00  0.00              
ATOM   1795 CD   ARG   112      -7.668 -10.526   9.539  1.00  0.00              
ATOM   1796 HD2  ARG   112      -8.746 -10.682   9.460  1.00  0.00              
ATOM   1797 HD3  ARG   112      -7.195 -11.487   9.755  1.00  0.00              
ATOM   1798 NE   ARG   112      -7.367  -9.584  10.638  1.00  0.00              
ATOM   1799 HE   ARG   112      -6.684  -8.865  10.452  1.00  0.00              
ATOM   1800 CZ   ARG   112      -7.878  -9.605  11.858  1.00  0.00              
ATOM   1801 NH1  ARG   112      -8.736 -10.512  12.235  1.00  0.00              
ATOM   1802 HH11 ARG   112      -9.010 -11.228  11.583  1.00  0.00              
ATOM   1803 HH12 ARG   112      -9.111 -10.512  13.169  1.00  0.00              
ATOM   1804 NH2  ARG   112      -7.529  -8.708  12.736  1.00  0.00              
ATOM   1805 HH21 ARG   112      -6.870  -7.986  12.492  1.00  0.00              
ATOM   1806 HH22 ARG   112      -7.916  -8.727  13.665  1.00  0.00              
ATOM   1807 C    ARG   112      -6.007  -7.908   6.185  1.00  0.00              
ATOM   1808 O    ARG   112      -5.208  -8.775   5.838  1.00  0.00              
ATOM   1809 N    HIE   113      -5.632  -6.655   6.457  1.00  0.00              
ATOM   1810 H    HIE   113      -6.334  -6.014   6.808  1.00  0.00              
ATOM   1811 CA   HIE   113      -4.244  -6.170   6.374  1.00  0.00              
ATOM   1812 HA   HIE   113      -3.659  -6.849   5.751  1.00  0.00              
ATOM   1813 CB   HIE   113      -4.146  -4.767   5.750  1.00  0.00              
ATOM   1814 HB2  HIE   113      -4.537  -4.040   6.458  1.00  0.00              
ATOM   1815 HB3  HIE   113      -3.089  -4.546   5.644  1.00  0.00              
ATOM   1816 CG   HIE   113      -4.766  -4.499   4.397  1.00  0.00              
ATOM   1817 ND1  HIE   113      -5.036  -3.216   3.914  1.00  0.00              
ATOM   1818 CE1  HIE   113      -5.442  -3.366   2.645  1.00  0.00              
ATOM   1819 HE1  HIE   113      -5.699  -2.552   1.977  1.00  0.00              
ATOM   1820 NE2  HIE   113      -5.466  -4.668   2.318  1.00  0.00              
ATOM   1821 HE2  HIE   113      -5.678  -5.019   1.392  1.00  0.00              
ATOM   1822 CD2  HIE   113      -5.042  -5.403   3.410  1.00  0.00              
ATOM   1823 HD2  HIE   113      -4.909  -6.475   3.462  1.00  0.00              
ATOM   1824 C    HIE   113      -3.539  -6.150   7.737  1.00  0.00              
ATOM   1825 O    HIE   113      -4.159  -5.986   8.791  1.00  0.00              
ATOM   1826 N    CYS   114      -2.216  -6.287   7.674  1.00  0.00              
ATOM   1827 H    CYS   114      -1.805  -6.361   6.750  1.00  0.00              
ATOM   1828 CA   CYS   114      -1.252  -6.207   8.764  1.00  0.00              
ATOM   1829 HA   CYS   114      -1.683  -5.599   9.563  1.00  0.00              
ATOM   1830 CB   CYS   114      -0.953  -7.609   9.337  1.00  0.00              
ATOM   1831 HB2  CYS   114       0.083  -7.884   9.127  1.00  0.00              
ATOM   1832 HB3  CYS   114      -1.068  -7.525  10.410  1.00  0.00              
ATOM   1833 SG   CYS   114      -2.076  -8.954   8.811  1.00  0.00              
ATOM   1834 HG   CYS   114      -1.836  -8.863   7.498  1.00  0.00              
ATOM   1835 C    CYS   114       0.013  -5.467   8.266  1.00  0.00              
ATOM   1836 O    CYS   114       0.196  -5.294   7.062  1.00  0.00              
ATOM   1837 N    CYS   115       0.944  -5.104   9.147  1.00  0.00              
ATOM   1838 H    CYS   115       0.819  -5.348  10.120  1.00  0.00              
ATOM   1839 CA   CYS   115       2.109  -4.284   8.768  1.00  0.00              
ATOM   1840 HA   CYS   115       1.883  -3.727   7.857  1.00  0.00              
ATOM   1841 CB   CYS   115       2.337  -3.235   9.862  1.00  0.00              
ATOM   1842 HB2  CYS   115       2.603  -3.729  10.799  1.00  0.00              
ATOM   1843 HB3  CYS   115       3.164  -2.589   9.563  1.00  0.00              
ATOM   1844 SG   CYS   115       0.837  -2.229  10.102  1.00  0.00              
ATOM   1845 HG   CYS   115       0.819  -1.682   8.879  1.00  0.00              
ATOM   1846 C    CYS   115       3.379  -5.117   8.511  1.00  0.00              
ATOM   1847 O    CYS   115       3.730  -5.982   9.318  1.00  0.00              
ATOM   1848 N    THR   116       4.076  -4.849   7.396  1.00  0.00              
ATOM   1849 H    THR   116       3.737  -4.112   6.787  1.00  0.00              
ATOM   1850 CA   THR   116       5.278  -5.594   6.959  1.00  0.00              
ATOM   1851 HA   THR   116       5.408  -6.442   7.632  1.00  0.00              
ATOM   1852 CB   THR   116       5.075  -6.197   5.559  1.00  0.00              
ATOM   1853 HB   THR   116       4.046  -6.547   5.486  1.00  0.00              
ATOM   1854 CG2  THR   116       5.361  -5.243   4.398  1.00  0.00              
ATOM   1855 HG21 THR   116       6.423  -5.006   4.345  1.00  0.00              
ATOM   1856 HG22 THR   116       5.062  -5.703   3.457  1.00  0.00              
ATOM   1857 HG23 THR   116       4.800  -4.321   4.532  1.00  0.00              
ATOM   1858 OG1  THR   116       5.928  -7.310   5.429  1.00  0.00              
ATOM   1859 HG1  THR   116       5.888  -7.612   4.513  1.00  0.00              
ATOM   1860 C    THR   116       6.586  -4.790   7.037  1.00  0.00              
ATOM   1861 O    THR   116       6.576  -3.558   7.095  1.00  0.00              
ATOM   1862 N    ARG   117       7.725  -5.498   7.017  1.00  0.00              
ATOM   1863 H    ARG   117       7.633  -6.496   6.869  1.00  0.00              
ATOM   1864 CA   ARG   117       9.087  -4.927   7.053  1.00  0.00              
ATOM   1865 HA   ARG   117       9.144  -4.211   7.878  1.00  0.00              
ATOM   1866 CB   ARG   117      10.112  -6.051   7.300  1.00  0.00              
ATOM   1867 HB2  ARG   117       9.964  -6.838   6.557  1.00  0.00              
ATOM   1868 HB3  ARG   117      11.116  -5.645   7.166  1.00  0.00              
ATOM   1869 CG   ARG   117      10.015  -6.654   8.713  1.00  0.00              
ATOM   1870 HG2  ARG   117      10.295  -5.896   9.446  1.00  0.00              
ATOM   1871 HG3  ARG   117       8.987  -6.958   8.912  1.00  0.00              
ATOM   1872 CD   ARG   117      10.915  -7.886   8.891  1.00  0.00              
ATOM   1873 HD2  ARG   117      10.789  -8.254   9.912  1.00  0.00              
ATOM   1874 HD3  ARG   117      10.577  -8.677   8.221  1.00  0.00              
ATOM   1875 NE   ARG   117      12.346  -7.577   8.676  1.00  0.00              
ATOM   1876 HE   ARG   117      12.809  -7.077   9.421  1.00  0.00              
ATOM   1877 CZ   ARG   117      13.095  -7.902   7.634  1.00  0.00              
ATOM   1878 NH1  ARG   117      12.643  -8.563   6.613  1.00  0.00              
ATOM   1879 HH11 ARG   117      11.685  -8.851   6.582  1.00  0.00              
ATOM   1880 HH12 ARG   117      13.263  -8.741   5.819  1.00  0.00              
ATOM   1881 NH2  ARG   117      14.346  -7.566   7.582  1.00  0.00              
ATOM   1882 HH21 ARG   117      14.787  -7.079   8.343  1.00  0.00              
ATOM   1883 HH22 ARG   117      14.893  -7.849   6.766  1.00  0.00              
ATOM   1884 C    ARG   117       9.438  -4.177   5.758  1.00  0.00              
ATOM   1885 O    ARG   117       9.045  -4.590   4.668  1.00  0.00              
ATOM   1886 N    VAL   118      10.230  -3.104   5.876  1.00  0.00              
ATOM   1887 H    VAL   118      10.482  -2.805   6.809  1.00  0.00              
ATOM   1888 CA   VAL   118      10.732  -2.324   4.720  1.00  0.00              
ATOM   1889 HA   VAL   118       9.991  -2.373   3.920  1.00  0.00              
ATOM   1890 CB   VAL   118      10.912  -0.832   5.083  1.00  0.00              
ATOM   1891 HB   VAL   118      11.746  -0.732   5.778  1.00  0.00              
ATOM   1892 CG1  VAL   118      11.203   0.022   3.841  1.00  0.00              
ATOM   1893 HG11 VAL   118      10.399  -0.084   3.112  1.00  0.00              
ATOM   1894 HG12 VAL   118      11.292   1.072   4.123  1.00  0.00              
ATOM   1895 HG13 VAL   118      12.144  -0.282   3.383  1.00  0.00              
ATOM   1896 CG2  VAL   118       9.657  -0.251   5.752  1.00  0.00              
ATOM   1897 HG21 VAL   118       8.788  -0.426   5.121  1.00  0.00              
ATOM   1898 HG22 VAL   118       9.490  -0.716   6.724  1.00  0.00              
ATOM   1899 HG23 VAL   118       9.779   0.821   5.911  1.00  0.00              
ATOM   1900 C    VAL   118      12.038  -2.916   4.162  1.00  0.00              
ATOM   1901 O    VAL   118      12.238  -2.951   2.948  1.00  0.00              
ATOM   1902 N    ALA   119      12.918  -3.404   5.045  1.00  0.00              
ATOM   1903 H    ALA   119      12.684  -3.359   6.025  1.00  0.00              
ATOM   1904 CA   ALA   119      14.202  -4.019   4.693  1.00  0.00              
ATOM   1905 HA   ALA   119      14.645  -3.453   3.872  1.00  0.00              
ATOM   1906 CB   ALA   119      15.136  -3.887   5.904  1.00  0.00              
ATOM   1907 HB1  ALA   119      16.127  -4.269   5.655  1.00  0.00              
ATOM   1908 HB2  ALA   119      15.230  -2.837   6.188  1.00  0.00              
ATOM   1909 HB3  ALA   119      14.740  -4.455   6.747  1.00  0.00              
ATOM   1910 C    ALA   119      14.069  -5.490   4.232  1.00  0.00              
ATOM   1911 O    ALA   119      13.037  -6.134   4.450  1.00  0.00              
ATOM   1912 N    LEU   120      15.143  -6.022   3.625  1.00  0.00              
ATOM   1913 H    LEU   120      15.954  -5.431   3.516  1.00  0.00              
ATOM   1914 CA   LEU   120      15.278  -7.428   3.203  1.00  0.00              
ATOM   1915 HA   LEU   120      14.469  -7.650   2.509  1.00  0.00              
ATOM   1916 CB   LEU   120      16.637  -7.587   2.472  1.00  0.00              
ATOM   1917 HB2  LEU   120      16.743  -6.774   1.754  1.00  0.00              
ATOM   1918 HB3  LEU   120      17.439  -7.461   3.200  1.00  0.00              
ATOM   1919 CG   LEU   120      16.908  -8.892   1.696  1.00  0.00              
ATOM   1920 HG   LEU   120      17.841  -8.749   1.148  1.00  0.00              
ATOM   1921 CD1  LEU   120      17.103 -10.107   2.598  1.00  0.00              
ATOM   1922 HD11 LEU   120      17.458 -10.946   2.001  1.00  0.00              
ATOM   1923 HD12 LEU   120      17.844  -9.880   3.364  1.00  0.00              
ATOM   1924 HD13 LEU   120      16.164 -10.380   3.069  1.00  0.00              
ATOM   1925 CD2  LEU   120      15.817  -9.201   0.673  1.00  0.00              
ATOM   1926 HD21 LEU   120      16.101 -10.076   0.089  1.00  0.00              
ATOM   1927 HD22 LEU   120      14.871  -9.405   1.173  1.00  0.00              
ATOM   1928 HD23 LEU   120      15.702  -8.355  -0.003  1.00  0.00              
ATOM   1929 C    LEU   120      15.109  -8.380   4.404  1.00  0.00              
ATOM   1930 O    LEU   120      15.864  -8.251   5.397  1.00  0.00              
ATOM   1931 OXT  LEU   120      14.169  -9.206   4.402  1.00  0.00              
TER   
ATOM   1932 N    PRO   121      12.547  -5.960 -13.390  1.00  0.00              
ATOM   1933 H2   PRO   121      12.212  -4.991 -13.358  1.00  0.00              
ATOM   1934 H3   PRO   121      12.689  -6.213 -14.363  1.00  0.00              
ATOM   1935 CD   PRO   121      13.780  -6.090 -12.584  1.00  0.00              
ATOM   1936 HD2  PRO   121      14.391  -5.185 -12.649  1.00  0.00              
ATOM   1937 HD3  PRO   121      14.368  -6.939 -12.944  1.00  0.00              
ATOM   1938 CG   PRO   121      13.363  -6.362 -11.133  1.00  0.00              
ATOM   1939 HG2  PRO   121      13.577  -5.501 -10.496  1.00  0.00              
ATOM   1940 HG3  PRO   121      13.895  -7.239 -10.754  1.00  0.00              
ATOM   1941 CB   PRO   121      11.851  -6.628 -11.199  1.00  0.00              
ATOM   1942 HB2  PRO   121      11.306  -5.745 -10.860  1.00  0.00              
ATOM   1943 HB3  PRO   121      11.566  -7.497 -10.600  1.00  0.00              
ATOM   1944 CA   PRO   121      11.600  -6.860 -12.693  1.00  0.00              
ATOM   1945 HA   PRO   121      11.882  -7.891 -12.922  1.00  0.00              
ATOM   1946 C    PRO   121      10.126  -6.675 -13.101  1.00  0.00              
ATOM   1947 O    PRO   121       9.755  -5.645 -13.666  1.00  0.00              
ATOM   1948 N    GLN   122       9.292  -7.687 -12.830  1.00  0.00              
ATOM   1949 H    GLN   122       9.655  -8.494 -12.337  1.00  0.00              
ATOM   1950 CA   GLN   122       7.854  -7.713 -13.152  1.00  0.00              
ATOM   1951 HA   GLN   122       7.474  -6.694 -13.086  1.00  0.00              
ATOM   1952 CB   GLN   122       7.663  -8.201 -14.606  1.00  0.00              
ATOM   1953 HB2  GLN   122       6.604  -8.166 -14.857  1.00  0.00              
ATOM   1954 HB3  GLN   122       8.182  -7.510 -15.272  1.00  0.00              
ATOM   1955 CG   GLN   122       8.179  -9.629 -14.881  1.00  0.00              
ATOM   1956 HG2  GLN   122       9.243  -9.683 -14.647  1.00  0.00              
ATOM   1957 HG3  GLN   122       7.654 -10.335 -14.237  1.00  0.00              
ATOM   1958 CD   GLN   122       7.990 -10.083 -16.332  1.00  0.00              
ATOM   1959 OE1  GLN   122       7.463  -9.386 -17.193  1.00  0.00              
ATOM   1960 NE2  GLN   122       8.414 -11.285 -16.667  1.00  0.00              
ATOM   1961 HE21 GLN   122       8.292 -11.590 -17.621  1.00  0.00              
ATOM   1962 HE22 GLN   122       8.851 -11.883 -15.980  1.00  0.00              
ATOM   1963 C    GLN   122       7.059  -8.585 -12.148  1.00  0.00              
ATOM   1964 O    GLN   122       7.646  -9.496 -11.552  1.00  0.00              
ATOM   1965 N    PRO   123       5.736  -8.368 -11.972  1.00  0.00              
ATOM   1966 CD   PRO   123       4.912  -9.228 -11.129  1.00  0.00              
ATOM   1967 HD2  PRO   123       5.350  -9.348 -10.137  1.00  0.00              
ATOM   1968 HD3  PRO   123       4.801 -10.201 -11.609  1.00  0.00              
ATOM   1969 CG   PRO   123       3.550  -8.547 -11.024  1.00  0.00              
ATOM   1970 HG2  PRO   123       3.553  -7.856 -10.181  1.00  0.00              
ATOM   1971 HG3  PRO   123       2.740  -9.272 -10.927  1.00  0.00              
ATOM   1972 CB   PRO   123       3.465  -7.769 -12.336  1.00  0.00              
ATOM   1973 HB2  PRO   123       2.757  -6.942 -12.268  1.00  0.00              
ATOM   1974 HB3  PRO   123       3.181  -8.446 -13.143  1.00  0.00              
ATOM   1975 CA   PRO   123       4.909  -7.296 -12.547  1.00  0.00              
ATOM   1976 HA   PRO   123       5.087  -7.197 -13.618  1.00  0.00              
ATOM   1977 C    PRO   123       5.151  -5.932 -11.875  1.00  0.00              
ATOM   1978 O    PRO   123       5.675  -5.866 -10.768  1.00  0.00              
ATOM   1979 N    GLU   124       4.755  -4.841 -12.536  1.00  0.00              
ATOM   1980 H    GLU   124       4.377  -4.959 -13.465  1.00  0.00              
ATOM   1981 CA   GLU   124       4.861  -3.473 -11.997  1.00  0.00              
ATOM   1982 HA   GLU   124       5.758  -3.418 -11.376  1.00  0.00              
ATOM   1983 CB   GLU   124       5.054  -2.459 -13.146  1.00  0.00              
ATOM   1984 HB2  GLU   124       4.472  -2.762 -14.015  1.00  0.00              
ATOM   1985 HB3  GLU   124       4.717  -1.472 -12.835  1.00  0.00              
ATOM   1986 CG   GLU   124       6.526  -2.325 -13.525  1.00  0.00              
ATOM   1987 HG2  GLU   124       7.005  -1.776 -12.715  1.00  0.00              
ATOM   1988 HG3  GLU   124       6.982  -3.314 -13.602  1.00  0.00              
ATOM   1989 CD   GLU   124       6.714  -1.553 -14.841  1.00  0.00              
ATOM   1990 OE1  GLU   124       6.935  -0.319 -14.779  1.00  0.00              
ATOM   1991 OE2  GLU   124       6.683  -2.179 -15.929  1.00  0.00              
ATOM   1992 C    GLU   124       3.706  -3.100 -11.043  1.00  0.00              
ATOM   1993 O    GLU   124       3.781  -3.370  -9.843  1.00  0.00              
ATOM   1994 N    Y2P   125       2.642  -2.491 -11.576  1.00  0.00              
ATOM   1995 H    Y2P   125       2.673  -2.284 -12.560  1.00  0.00              
ATOM   1996 CA   Y2P   125       1.518  -1.959 -10.808  1.00  0.00              
ATOM   1997 HA   Y2P   125       1.722  -2.072  -9.789  1.00  0.00              
ATOM   1998 CB   Y2P   125       1.535  -0.419 -10.975  1.00  0.00              
ATOM   1999 HB2  Y2P   125       1.435  -0.171 -12.029  1.00  0.00              
ATOM   2000 HB3  Y2P   125       0.653  -0.018 -10.482  1.00  0.00              
ATOM   2001 CG   Y2P   125       2.743   0.366 -10.399  1.00  0.00              
ATOM   2002 CD1  Y2P   125       2.785   0.736  -9.025  1.00  0.00              
ATOM   2003 HD1  Y2P   125       2.032   0.415  -8.312  1.00  0.00              
ATOM   2004 CE1  Y2P   125       3.774   1.631  -8.555  1.00  0.00              
ATOM   2005 HE1  Y2P   125       3.767   1.958  -7.536  1.00  0.00              
ATOM   2006 CZ   Y2P   125       4.713   2.214  -9.432  1.00  0.00              
ATOM   2007 CE2  Y2P   125       4.686   1.845 -10.785  1.00  0.00              
ATOM   2008 HE2  Y2P   125       5.416   2.361 -11.410  1.00  0.00              
ATOM   2009 CD2  Y2P   125       3.753   0.883 -11.258  1.00  0.00              
ATOM   2010 HD2  Y2P   125       3.799   0.581 -12.296  1.00  0.00              
ATOM   2011 OG   Y2P   125       5.528   3.199  -9.130  1.00  0.00              
ATOM   2012 P    Y2P   125       6.449   3.258  -7.851  1.00  0.00              
ATOM   2013 O1P  Y2P   125       7.761   3.393  -8.472  1.00  0.00              
ATOM   2014 O2P  Y2P   125       6.027   4.442  -7.110  1.00  0.00              
ATOM   2015 O3P  Y2P   125       6.330   2.005  -7.123  1.00  0.00              
ATOM   2016 C    Y2P   125       0.175  -2.760 -10.862  1.00  0.00              
ATOM   2017 O    Y2P   125       0.116  -3.915 -11.275  1.00  0.00              
ATOM   2018 N    VAL   126      -0.905  -2.143 -10.381  1.00  0.00              
ATOM   2019 H    VAL   126      -0.735  -1.182 -10.128  1.00  0.00              
ATOM   2020 CA   VAL   126      -2.332  -2.550 -10.367  1.00  0.00              
ATOM   2021 HA   VAL   126      -2.554  -3.151 -11.310  1.00  0.00              
ATOM   2022 CB   VAL   126      -2.895  -3.153  -9.046  1.00  0.00              
ATOM   2023 HB   VAL   126      -2.805  -2.404  -8.257  1.00  0.00              
ATOM   2024 CG1  VAL   126      -4.367  -3.548  -9.137  1.00  0.00              
ATOM   2025 HG11 VAL   126      -4.649  -4.033  -8.202  1.00  0.00              
ATOM   2026 HG12 VAL   126      -4.988  -2.660  -9.253  1.00  0.00              
ATOM   2027 HG13 VAL   126      -4.536  -4.241  -9.965  1.00  0.00              
ATOM   2028 CG2  VAL   126      -2.160  -4.441  -8.668  1.00  0.00              
ATOM   2029 HG21 VAL   126      -2.386  -5.222  -9.393  1.00  0.00              
ATOM   2030 HG22 VAL   126      -1.087  -4.275  -8.658  1.00  0.00              
ATOM   2031 HG23 VAL   126      -2.469  -4.768  -7.673  1.00  0.00              
ATOM   2032 C    VAL   126      -3.025  -1.234 -10.557  1.00  0.00              
ATOM   2033 O    VAL   126      -2.638  -0.179 -10.074  1.00  0.00              
ATOM   2034 N    ASN   127      -4.040  -1.462 -11.346  1.00  0.00              
ATOM   2035 H    ASN   127      -4.097  -2.446 -11.570  1.00  0.00              
ATOM   2036 CA   ASN   127      -5.021  -0.731 -12.103  1.00  0.00              
ATOM   2037 HA   ASN   127      -6.017  -1.107 -11.850  1.00  0.00              
ATOM   2038 CB   ASN   127      -5.002   0.772 -11.753  1.00  0.00              
ATOM   2039 HB2  ASN   127      -4.041   1.200 -11.964  1.00  0.00              
ATOM   2040 HB3  ASN   127      -5.766   1.314 -12.312  1.00  0.00              
ATOM   2041 CG   ASN   127      -5.238   0.932 -10.258  1.00  0.00              
ATOM   2042 OD1  ASN   127      -5.897   0.129  -9.625  1.00  0.00              
ATOM   2043 ND2  ASN   127      -4.627   1.867  -9.586  1.00  0.00              
ATOM   2044 HD21 ASN   127      -4.474   1.619  -8.617  1.00  0.00              
ATOM   2045 HD22 ASN   127      -4.000   2.501 -10.052  1.00  0.00              
ATOM   2046 C    ASN   127      -4.596  -1.421 -13.471  1.00  0.00              
ATOM   2047 O    ASN   127      -5.440  -1.649 -14.331  1.00  0.00              
ATOM   2048 N    GLN   128      -3.292  -1.859 -13.588  1.00  0.00              
ATOM   2049 H    GLN   128      -2.586  -1.230 -13.198  1.00  0.00              
ATOM   2050 CA   GLN   128      -2.670  -2.698 -14.572  1.00  0.00              
ATOM   2051 HA   GLN   128      -3.516  -3.287 -14.834  1.00  0.00              
ATOM   2052 CB   GLN   128      -2.028  -1.837 -15.642  1.00  0.00              
ATOM   2053 HB2  GLN   128      -1.377  -1.161 -15.072  1.00  0.00              
ATOM   2054 HB3  GLN   128      -1.414  -2.496 -16.238  1.00  0.00              
ATOM   2055 CG   GLN   128      -2.986  -1.127 -16.626  1.00  0.00              
ATOM   2056 HG2  GLN   128      -2.559  -1.214 -17.626  1.00  0.00              
ATOM   2057 HG3  GLN   128      -3.940  -1.654 -16.654  1.00  0.00              
ATOM   2058 CD   GLN   128      -3.222   0.366 -16.378  1.00  0.00              
ATOM   2059 OE1  GLN   128      -2.399   1.212 -16.691  1.00  0.00              
ATOM   2060 NE2  GLN   128      -4.362   0.766 -15.847  1.00  0.00              
ATOM   2061 HE21 GLN   128      -5.095   0.093 -15.656  1.00  0.00              
ATOM   2062 HE22 GLN   128      -4.522   1.763 -15.759  1.00  0.00              
ATOM   2063 C    GLN   128      -1.812  -3.875 -13.998  1.00  0.00              
ATOM   2064 O    GLN   128      -2.370  -4.612 -13.180  1.00  0.00              
ATOM   2065 N    PRO   129      -0.595  -4.214 -14.493  1.00  0.00              
ATOM   2066 CD   PRO   129      -0.248  -5.622 -14.674  1.00  0.00              
ATOM   2067 HD2  PRO   129      -0.824  -6.065 -15.488  1.00  0.00              
ATOM   2068 HD3  PRO   129      -0.430  -6.170 -13.749  1.00  0.00              
ATOM   2069 CG   PRO   129       1.241  -5.674 -14.992  1.00  0.00              
ATOM   2070 HG2  PRO   129       1.400  -5.488 -16.055  1.00  0.00              
ATOM   2071 HG3  PRO   129       1.687  -6.623 -14.695  1.00  0.00              
ATOM   2072 CB   PRO   129       1.774  -4.508 -14.170  1.00  0.00              
ATOM   2073 HB2  PRO   129       2.715  -4.139 -14.575  1.00  0.00              
ATOM   2074 HB3  PRO   129       1.892  -4.822 -13.132  1.00  0.00              
ATOM   2075 CA   PRO   129       0.657  -3.465 -14.268  1.00  0.00              
ATOM   2076 HA   PRO   129       0.572  -2.931 -13.321  1.00  0.00              
ATOM   2077 C    PRO   129       0.939  -2.418 -15.343  1.00  0.00              
ATOM   2078 O    PRO   129       1.037  -2.735 -16.530  1.00  0.00              
ATOM   2079 N    ASP   130       1.062  -1.177 -14.855  1.00  0.00              
ATOM   2080 H    ASP   130       1.018  -1.065 -13.858  1.00  0.00              
ATOM   2081 CA   ASP   130       1.177   0.072 -15.614  1.00  0.00              
ATOM   2082 HA   ASP   130       0.128   0.396 -15.632  1.00  0.00              
ATOM   2083 CB   ASP   130       1.995   1.112 -14.823  1.00  0.00              
ATOM   2084 HB2  ASP   130       1.490   1.323 -13.881  1.00  0.00              
ATOM   2085 HB3  ASP   130       2.971   0.683 -14.586  1.00  0.00              
ATOM   2086 CG   ASP   130       2.196   2.440 -15.594  1.00  0.00              
ATOM   2087 OD1  ASP   130       1.193   3.135 -15.894  1.00  0.00              
ATOM   2088 OD2  ASP   130       3.360   2.822 -15.876  1.00  0.00              
ATOM   2089 C    ASP   130       1.689  -0.022 -17.076  1.00  0.00              
ATOM   2090 O    ASP   130       0.883   0.219 -18.007  1.00  0.00              
ATOM   2091 OXT  ASP   130       2.894  -0.296 -17.298  1.00  0.00              
TER   
END   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  20.810   2.774  31.543
    2    H2   GLY   1           H2       GLY   1  20.378   2.612  29.970
    3    H3   GLY   1           H3       GLY   1  20.387   1.305  30.955
    4    HA2  GLY   1           2HA      GLY   1  18.124   2.019  30.579
    5    HA3  GLY   1           3HA      GLY   1  18.592   2.182  32.283
    6    H    SER   2           H        SER   2  16.554   3.618  30.638
    7    HA   SER   2           HA       SER   2  17.384   6.437  31.177
    8    HB2  SER   2           2HB      SER   2  15.959   5.420  28.686
    9    HB3  SER   2           3HB      SER   2  16.225   7.123  29.093
   10    HG   SER   2           HG       SER   2  17.817   6.306  27.664
   11    HA   PRO   3           HA       PRO   3  13.384   6.673  33.127
   12    HB2  PRO   3           2HB      PRO   3  12.834   9.346  33.076
   13    HB3  PRO   3           3HB      PRO   3  14.141   8.640  34.077
   14    HG2  PRO   3           2HG      PRO   3  14.386   9.904  31.323
   15    HG3  PRO   3           3HG      PRO   3  15.358  10.257  32.790
   16    HD2  PRO   3           2HD      PRO   3  16.239   8.545  30.878
   17    HD3  PRO   3           3HD      PRO   3  16.538   8.217  32.611
   18    H    ALA   4           H        ALA   4  11.147   7.022  32.756
   19    HA   ALA   4           HA       ALA   4  10.192   7.839  30.086
   20    HB1  ALA   4           3HB      ALA   4   9.674   5.068  31.261
   21    HB2  ALA   4           1HB      ALA   4   8.944   5.725  29.779
   22    HB3  ALA   4           2HB      ALA   4  10.691   5.426  29.847
   23    H    SER   5           H        SER   5   7.873   8.106  29.984
   24    HA   SER   5           HA       SER   5   6.650   8.916  32.584
   25    HB2  SER   5           2HB      SER   5   5.862   9.574  29.726
   26    HB3  SER   5           3HB      SER   5   5.001  10.111  31.179
   27    HG   SER   5           HG       SER   5   7.722  10.669  30.553
   28    H    GLY   6           H        GLY   6   4.559   8.285  33.189
   29    HA2  GLY   6           2HA      GLY   6   3.837   5.548  32.552
   30    HA3  GLY   6           3HA      GLY   6   3.032   6.633  33.683
   31    H    THR   7           H        THR   7   2.940   8.440  30.988
   32    HA   THR   7           HA       THR   7   0.183   8.141  30.512
   33    HB   THR   7           HB       THR   7   2.191   9.381  28.593
   34    HG1  THR   7           1HG      THR   7   1.840  11.260  29.833
   35   HG21  THR   7          1HG2      THR   7  -0.103   9.369  27.704
   36   HG22  THR   7          2HG2      THR   7  -0.724  10.042  29.229
   37   HG23  THR   7          3HG2      THR   7   0.341  11.008  28.183
   38    H    SER   8           H        SER   8  -1.061   7.159  28.974
   39    HA   SER   8           HA       SER   8   0.203   5.475  26.861
   40    HB2  SER   8           2HB      SER   8  -1.442   3.720  27.306
   41    HB3  SER   8           3HB      SER   8  -0.418   4.024  28.718
   42    HG   SER   8           HG       SER   8  -2.616   3.854  29.298
   43    H    LEU   9           H        LEU   9  -1.301   4.849  25.127
   44    HA   LEU   9           HA       LEU   9  -3.506   6.760  24.597
   45    HB2  LEU   9           2HB      LEU   9  -1.355   7.745  23.772
   46    HB3  LEU   9           3HB      LEU   9  -1.099   6.310  22.780
   47    HG   LEU   9           HG       LEU   9  -3.160   6.870  21.480
   48   HD11  LEU   9          1HD1      LEU   9  -4.116   9.152  21.674
   49   HD12  LEU   9          2HD1      LEU   9  -4.415   8.206  23.135
   50   HD13  LEU   9          3HD1      LEU   9  -3.133   9.436  23.128
   51   HD21  LEU   9          3HD2      LEU   9  -1.099   9.103  21.636
   52   HD22  LEU   9          1HD2      LEU   9  -0.936   7.592  20.712
   53   HD23  LEU   9          2HD2      LEU   9  -2.184   8.769  20.267
   54    H    SER  10           H        SER  10  -5.119   5.985  23.297
   55    HA   SER  10           HA       SER  10  -5.146   3.086  22.764
   56    HB2  SER  10           2HB      SER  10  -7.598   3.418  22.674
   57    HB3  SER  10           3HB      SER  10  -6.867   3.980  24.183
   58    HG   SER  10           HG       SER  10  -8.369   5.487  23.302
   59    H    ALA  11           H        ALA  11  -4.062   5.373  20.849
   60    HA   ALA  11           HA       ALA  11  -5.713   5.344  18.523
   61    HB1  ALA  11           3HB      ALA  11  -4.172   7.161  19.055
   62    HB2  ALA  11           1HB      ALA  11  -2.778   6.064  18.906
   63    HB3  ALA  11           2HB      ALA  11  -3.759   6.466  17.478
   64    H    ALA  12           H        ALA  12  -5.118   4.622  16.384
   65    HA   ALA  12           HA       ALA  12  -4.690   1.797  16.219
   66    HB1  ALA  12           3HB      ALA  12  -4.804   3.931  14.041
   67    HB2  ALA  12           1HB      ALA  12  -5.042   2.186  13.811
   68    HB3  ALA  12           2HB      ALA  12  -6.207   3.113  14.767
   69    H    ILE  13           H        ILE  13  -3.197   0.902  14.402
   70    HA   ILE  13           HA       ILE  13  -0.459   1.259  15.267
   71    HB   ILE  13           HB       ILE  13  -1.562  -0.261  12.874
   72   HG12  ILE  13          2HG1      ILE  13  -2.624  -1.146  14.854
   73   HG13  ILE  13          3HG1      ILE  13  -1.428  -2.281  14.274
   74   HG21  ILE  13          1HG2      ILE  13   0.817   0.050  12.600
   75   HG22  ILE  13          2HG2      ILE  13   1.137  -0.449  14.272
   76   HG23  ILE  13          3HG2      ILE  13   0.522  -1.624  13.087
   77   HD11  ILE  13          3HD1      ILE  13  -1.098  -0.427  16.676
   78   HD12  ILE  13          1HD1      ILE  13  -1.393  -2.170  16.709
   79   HD13  ILE  13          2HD1      ILE  13   0.143  -1.556  16.080
   80    H    HIS  14           H        HIS  14  -2.185   2.247  12.299
   81    HA   HIS  14           HA       HIS  14   0.175   3.402  11.054
   82    HB2  HIS  14           2HB      HIS  14  -2.773   3.462  10.303
   83    HB3  HIS  14           3HB      HIS  14  -1.455   4.061   9.292
   84    HD2  HIS  14           HD2      HIS  14   0.435   2.218   8.508
   85    HE1  HIS  14           HE1      HIS  14  -2.146  -1.158   8.911
   86    HE2  HIS  14           HE2      HIS  14   0.038  -0.324   7.898
   87    H    ARG  15           H        ARG  15   0.355   4.616  13.259
   88    HA   ARG  15           HA       ARG  15  -0.740   7.368  12.925
   89    HB2  ARG  15           2HB      ARG  15  -0.797   7.563  15.385
   90    HB3  ARG  15           3HB      ARG  15  -1.663   6.096  14.907
   91    HG2  ARG  15           2HG      ARG  15   0.300   4.703  15.452
   92    HG3  ARG  15           3HG      ARG  15   1.275   6.129  15.762
   93    HD2  ARG  15           2HD      ARG  15  -0.230   6.763  17.633
   94    HD3  ARG  15           3HD      ARG  15  -1.162   5.289  17.377
   95    HE   ARG  15           HE       ARG  15   1.608   5.542  18.433
   96   HH11  ARG  15          1HH1      ARG  15  -0.845   3.255  17.400
   97   HH12  ARG  15          2HH1      ARG  15  -0.198   1.974  18.401
   98   HH21  ARG  15          1HH2      ARG  15   2.408   3.853  19.643
   99   HH22  ARG  15          2HH2      ARG  15   1.649   2.292  19.573
  100    H    THR  16           H        THR  16   1.827   6.014  12.432
  101    HA   THR  16           HA       THR  16   3.560   8.373  12.590
  102    HB   THR  16           HB       THR  16   5.533   7.251  13.497
  103    HG1  THR  16           1HG      THR  16   5.196   5.243  14.579
  104   HG21  THR  16          1HG2      THR  16   3.326   6.862  15.545
  105   HG22  THR  16          2HG2      THR  16   5.040   7.204  15.819
  106   HG23  THR  16          3HG2      THR  16   4.004   8.449  15.105
  107    H    GLN  17           H        GLN  17   5.718   7.852  11.392
  108    HA   GLN  17           HA       GLN  17   5.112   6.744   8.818
  109    HB2  GLN  17           2HB      GLN  17   7.171   7.575   8.143
  110    HB3  GLN  17           3HB      GLN  17   6.632   8.698   9.376
  111    HG2  GLN  17           2HG      GLN  17   8.841   6.611   9.550
  112    HG3  GLN  17           3HG      GLN  17   8.977   8.355   9.690
  113   HE21  GLN  17          2HE2      GLN  17   7.882   9.361  11.697
  114   HE22  GLN  17          1HE2      GLN  17   7.996   8.401  13.160
  115    H    LEU  18           H        LEU  18   5.426   4.817  11.401
  116    HA   LEU  18           HA       LEU  18   7.624   3.196  10.931
  117    HB2  LEU  18           2HB      LEU  18   6.832   1.832  12.590
  118    HB3  LEU  18           3HB      LEU  18   6.093   3.375  12.967
  119    HG   LEU  18           HG       LEU  18   4.762   0.972  11.629
  120   HD11  LEU  18          1HD1      LEU  18   5.232   0.664  14.019
  121   HD12  LEU  18          2HD1      LEU  18   4.369   2.174  14.392
  122   HD13  LEU  18          3HD1      LEU  18   3.494   0.785  13.716
  123   HD21  LEU  18          3HD2      LEU  18   2.617   2.115  11.906
  124   HD22  LEU  18          1HD2      LEU  18   3.426   3.558  12.533
  125   HD23  LEU  18          2HD2      LEU  18   3.646   3.063  10.843
  126    H    TRP  19           H        TRP  19   4.812   3.093   9.093
  127    HA   TRP  19           HA       TRP  19   5.781   0.699   7.582
  128    HB2  TRP  19           2HB      TRP  19   2.887   1.444   8.087
  129    HB3  TRP  19           3HB      TRP  19   3.438   0.096   7.107
  130    HD1  TRP  19           HD1      TRP  19   1.782   0.395  10.085
  131    HE1  TRP  19           HE1      TRP  19   2.294  -1.450  11.785
  132    HE3  TRP  19           HE3      TRP  19   6.175  -1.416   8.111
  133    HZ2  TRP  19           HZ2      TRP  19   4.437  -3.249  12.404
  134    HZ3  TRP  19           HZ3      TRP  19   7.410  -3.206   9.287
  135    HH2  TRP  19           HH2      TRP  19   6.569  -4.126  11.435
  136    H    PHE  20           H        PHE  20   6.243   3.637   7.195
  137    HA   PHE  20           HA       PHE  20   5.198   3.912   4.413
  138    HB2  PHE  20           2HB      PHE  20   5.445   6.076   6.520
  139    HB3  PHE  20           3HB      PHE  20   4.996   6.324   4.840
  140    HD1  PHE  20           HD1      PHE  20   3.856   4.934   8.099
  141    HD2  PHE  20           HD2      PHE  20   2.751   5.854   4.037
  142    HE1  PHE  20           HE1      PHE  20   1.471   4.628   8.684
  143    HE2  PHE  20           HE2      PHE  20   0.358   5.550   4.626
  144    HZ   PHE  20           HZ       PHE  20  -0.287   4.924   6.945
  145    H    HIS  21           H        HIS  21   6.649   4.226   2.920
  146    HA   HIS  21           HA       HIS  21   9.287   5.502   3.395
  147    HB2  HIS  21           2HB      HIS  21   9.312   2.847   3.577
  148    HB3  HIS  21           3HB      HIS  21   9.052   2.882   1.862
  149    HD2  HIS  21           HD2      HIS  21  11.829   3.175   4.344
  150    HE1  HIS  21           HE1      HIS  21  13.545   4.238   0.588
  151    HE2  HIS  21           HE2      HIS  21  14.054   3.643   3.008
  152    H    GLY  22           H        GLY  22  10.140   6.488   1.114
  153    HA2  GLY  22           2HA      GLY  22   8.238   5.884  -1.023
  154    HA3  GLY  22           3HA      GLY  22   8.354   7.530  -0.561
  155    H    ARG  23           H        ARG  23  10.971   5.054  -0.559
  156    HA   ARG  23           HA       ARG  23  11.800   5.706  -3.293
  157    HB2  ARG  23           2HB      ARG  23  12.976   7.415  -1.854
  158    HB3  ARG  23           3HB      ARG  23  13.839   6.105  -1.039
  159    HG2  ARG  23           2HG      ARG  23  14.968   5.477  -3.123
  160    HG3  ARG  23           3HG      ARG  23  13.889   6.491  -4.073
  161    HD2  ARG  23           2HD      ARG  23  16.021   7.567  -3.937
  162    HD3  ARG  23           3HD      ARG  23  14.869   8.502  -3.010
  163    HE   ARG  23           HE       ARG  23  15.969   8.014  -1.025
  164   HH11  ARG  23          1HH1      ARG  23  17.424   6.007  -3.513
  165   HH12  ARG  23          2HH1      ARG  23  18.753   5.549  -2.487
  166   HH21  ARG  23          1HH2      ARG  23  17.684   7.380   0.222
  167   HH22  ARG  23          2HH2      ARG  23  18.891   6.310  -0.425
  168    H    ILE  24           H        ILE  24  10.588   3.559  -2.564
  169    HA   ILE  24           HA       ILE  24  12.601   1.498  -3.196
  170    HB   ILE  24           HB       ILE  24  12.348   1.444  -0.750
  171   HG12  ILE  24          2HG1      ILE  24  11.524  -0.979  -2.383
  172   HG13  ILE  24          3HG1      ILE  24  13.144  -0.469  -1.942
  173   HG21  ILE  24          1HG2      ILE  24   9.578   0.336  -1.110
  174   HG22  ILE  24          2HG2      ILE  24  10.415   0.756   0.396
  175   HG23  ILE  24          3HG2      ILE  24   9.882   2.044  -0.686
  176   HD11  ILE  24          3HD1      ILE  24  12.643  -0.948   0.452
  177   HD12  ILE  24          1HD1      ILE  24  11.025  -1.528  -0.019
  178   HD13  ILE  24          2HD1      ILE  24  12.464  -2.372  -0.595
  179    H    SER  25           H        SER  25  11.639   2.404  -5.116
  180    HA   SER  25           HA       SER  25   9.036   2.291  -6.040
  181    HB2  SER  25           2HB      SER  25  10.979   3.340  -7.177
  182    HB3  SER  25           3HB      SER  25  11.596   1.736  -7.606
  183    HG   SER  25           HG       SER  25   9.040   2.824  -8.359
  184    H    ARG  26           H        ARG  26   7.827   0.891  -7.333
  185    HA   ARG  26           HA       ARG  26   7.331  -1.608  -6.496
  186    HB2  ARG  26           2HB      ARG  26   5.972  -1.919  -8.428
  187    HB3  ARG  26           3HB      ARG  26   5.950  -0.222  -8.023
  188    HG2  ARG  26           2HG      ARG  26   7.453  -1.554 -10.314
  189    HG3  ARG  26           3HG      ARG  26   5.979  -0.599 -10.421
  190    HD2  ARG  26           2HD      ARG  26   7.283   1.407  -9.596
  191    HD3  ARG  26           3HD      ARG  26   8.742   0.402  -9.686
  192    HE   ARG  26           HE       ARG  26   7.161   0.562 -12.162
  193   HH11  ARG  26          1HH1      ARG  26   9.852   2.067 -10.434
  194   HH12  ARG  26          2HH1      ARG  26  10.603   2.562 -11.927
  195   HH21  ARG  26          2HH2      ARG  26   8.150   1.196 -13.944
  196   HH22  ARG  26          1HH2      ARG  26   9.626   2.146 -13.886
  197    H    GLU  27           H        GLU  27   9.860  -1.127  -8.892
  198    HA   GLU  27           HA       GLU  27  10.192  -3.981  -9.425
  199    HB2  GLU  27           2HB      GLU  27  11.976  -1.586 -10.016
  200    HB3  GLU  27           3HB      GLU  27  12.269  -3.236 -10.569
  201    HG2  GLU  27           2HG      GLU  27  10.023  -3.192 -11.726
  202    HG3  GLU  27           3HG      GLU  27   9.894  -1.480 -11.311
  203    H    GLU  28           H        GLU  28  11.623  -1.707  -7.108
  204    HA   GLU  28           HA       GLU  28  13.640  -3.659  -6.188
  205    HB2  GLU  28           2HB      GLU  28  14.164  -1.219  -6.323
  206    HB3  GLU  28           3HB      GLU  28  12.916  -0.908  -5.116
  207    HG2  GLU  28           2HG      GLU  28  15.038  -0.900  -4.017
  208    HG3  GLU  28           3HG      GLU  28  14.182  -2.336  -3.482
  209    H    SER  29           H        SER  29  10.610  -2.149  -4.926
  210    HA   SER  29           HA       SER  29  10.805  -3.510  -2.405
  211    HB2  SER  29           2HB      SER  29   8.264  -3.027  -2.304
  212    HB3  SER  29           3HB      SER  29   9.424  -1.703  -2.277
  213    HG   SER  29           HG       SER  29   8.776  -1.015  -4.110
  214    H    GLN  30           H        GLN  30   9.420  -4.637  -5.503
  215    HA   GLN  30           HA       GLN  30   8.265  -6.978  -4.235
  216    HB2  GLN  30           2HB      GLN  30   7.726  -7.788  -6.353
  217    HB3  GLN  30           3HB      GLN  30   7.493  -6.044  -6.394
  218    HG2  GLN  30           2HG      GLN  30   9.821  -5.942  -7.511
  219    HG3  GLN  30           3HG      GLN  30   9.690  -7.698  -7.689
  220   HE21  GLN  30          1HE2      GLN  30   6.557  -7.300  -8.145
  221   HE22  GLN  30          2HE2      GLN  30   6.533  -6.625  -9.767
  222    H    ARG  31           H        ARG  31  11.559  -6.230  -4.966
  223    HA   ARG  31           HA       ARG  31  12.453  -9.040  -5.045
  224    HB2  ARG  31           2HB      ARG  31  13.603  -7.256  -6.310
  225    HB3  ARG  31           3HB      ARG  31  14.036  -6.440  -4.804
  226    HG2  ARG  31           2HG      ARG  31  15.475  -8.247  -4.121
  227    HG3  ARG  31           3HG      ARG  31  14.842  -9.305  -5.389
  228    HD2  ARG  31           2HD      ARG  31  17.021  -8.563  -6.018
  229    HD3  ARG  31           3HD      ARG  31  15.838  -7.863  -7.126
  230    HE   ARG  31           HE       ARG  31  16.122  -5.794  -5.382
  231   HH11  ARG  31          2HH1      ARG  31  18.652  -7.696  -6.936
  232   HH12  ARG  31          1HH1      ARG  31  19.754  -6.346  -6.930
  233   HH21  ARG  31          1HH2      ARG  31  17.466  -4.197  -5.465
  234   HH22  ARG  31          2HH2      ARG  31  19.104  -4.370  -6.093
  235    H    LEU  32           H        LEU  32  12.205  -6.455  -2.634
  236    HA   LEU  32           HA       LEU  32  13.431  -8.116  -0.524
  237    HB2  LEU  32           2HB      LEU  32  12.417  -5.263  -0.683
  238    HB3  LEU  32           3HB      LEU  32  12.729  -6.039   0.866
  239    HG   LEU  32           HG       LEU  32  15.054  -6.504   0.229
  240   HD11  LEU  32          1HD1      LEU  32  15.031  -6.563  -2.193
  241   HD12  LEU  32          2HD1      LEU  32  14.441  -4.886  -2.274
  242   HD13  LEU  32          3HD1      LEU  32  16.075  -5.244  -1.682
  243   HD21  LEU  32          3HD2      LEU  32  14.406  -4.434   1.455
  244   HD22  LEU  32          1HD2      LEU  32  15.877  -4.240   0.488
  245   HD23  LEU  32          2HD2      LEU  32  14.340  -3.571  -0.093
  246    H    ILE  33           H        ILE  33  10.136  -6.798  -1.149
  247    HA   ILE  33           HA       ILE  33   9.030  -8.250   1.137
  248    HB   ILE  33           HB       ILE  33   7.793  -6.477  -0.989
  249   HG12  ILE  33          2HG1      ILE  33   7.216  -5.050   0.960
  250   HG13  ILE  33          3HG1      ILE  33   8.029  -6.174   2.042
  251   HG21  ILE  33          1HG2      ILE  33   6.389  -7.962   1.254
  252   HG22  ILE  33          2HG2      ILE  33   5.679  -6.587   0.372
  253   HG23  ILE  33          3HG2      ILE  33   6.049  -8.068  -0.492
  254   HD11  ILE  33          3HD1      ILE  33  10.198  -5.511   1.174
  255   HD12  ILE  33          1HD1      ILE  33   9.433  -4.570  -0.138
  256   HD13  ILE  33          2HD1      ILE  33   9.271  -4.059   1.550
  257    H    GLY  34           H        GLY  34   9.864  -9.241  -2.011
  258    HA2  GLY  34           2HA      GLY  34   7.686 -11.192  -2.296
  259    HA3  GLY  34           3HA      GLY  34   8.969 -10.855  -3.440
  260    H    GLN  35           H        GLN  35  10.590 -11.375  -0.597
  261    HA   GLN  35           HA       GLN  35  11.147 -14.194  -1.259
  262    HB2  GLN  35           2HB      GLN  35  12.907 -12.528  -0.599
  263    HB3  GLN  35           3HB      GLN  35  12.221 -12.488   1.031
  264    HG2  GLN  35           2HG      GLN  35  12.708 -14.885   1.317
  265    HG3  GLN  35           3HG      GLN  35  13.235 -15.009  -0.366
  266   HE21  GLN  35          2HE2      GLN  35  14.119 -13.766   2.869
  267   HE22  GLN  35          1HE2      GLN  35  15.802 -13.485   2.446
  268    H    GLN  36           H        GLN  36   8.858 -12.491   0.571
  269    HA   GLN  36           HA       GLN  36   8.327 -14.503   2.564
  270    HB2  GLN  36           2HB      GLN  36   6.945 -11.885   1.922
  271    HB3  GLN  36           3HB      GLN  36   6.436 -12.989   3.189
  272    HG2  GLN  36           2HG      GLN  36   7.689 -11.655   4.501
  273    HG3  GLN  36           3HG      GLN  36   9.011 -12.687   3.958
  274   HE21  GLN  36          2HE2      GLN  36  10.509 -11.803   2.384
  275   HE22  GLN  36          1HE2      GLN  36  10.539 -10.069   2.019
  276    H    GLY  37           H        GLY  37   6.180 -15.559   2.713
  277    HA2  GLY  37           2HA      GLY  37   4.567 -15.726   0.195
  278    HA3  GLY  37           3HA      GLY  37   5.226 -17.191   0.928
  279    H    LEU  38           H        LEU  38   3.819 -14.375   2.640
  280    HA   LEU  38           HA       LEU  38   2.107 -16.184   4.230
  281    HB2  LEU  38           2HB      LEU  38   2.956 -13.275   4.372
  282    HB3  LEU  38           3HB      LEU  38   1.628 -13.842   5.351
  283    HG   LEU  38           HG       LEU  38   3.640 -13.742   6.641
  284   HD11  LEU  38          1HD1      LEU  38   1.927 -15.451   7.192
  285   HD12  LEU  38          2HD1      LEU  38   2.843 -16.653   6.250
  286   HD13  LEU  38          3HD1      LEU  38   3.561 -15.914   7.691
  287   HD21  LEU  38          3HD2      LEU  38   5.319 -14.237   4.885
  288   HD22  LEU  38          1HD2      LEU  38   5.539 -15.198   6.353
  289   HD23  LEU  38          2HD2      LEU  38   4.820 -15.952   4.918
  290    H    VAL  39           H        VAL  39  -0.113 -15.034   4.892
  291    HA   VAL  39           HA       VAL  39  -1.982 -15.191   2.729
  292    HB   VAL  39           HB       VAL  39  -3.599 -14.128   4.185
  293   HG11  VAL  39          1HG1      VAL  39  -1.938 -16.192   5.681
  294   HG12  VAL  39          2HG1      VAL  39  -3.653 -15.812   5.936
  295   HG13  VAL  39          3HG1      VAL  39  -3.130 -16.542   4.409
  296   HG21  VAL  39          3HG2      VAL  39  -2.185 -12.457   5.338
  297   HG22  VAL  39          1HG2      VAL  39  -3.078 -13.465   6.480
  298   HG23  VAL  39          2HG2      VAL  39  -1.350 -13.761   6.210
  299    H    ASP  40           H        ASP  40  -3.115 -13.904   1.544
  300    HA   ASP  40           HA       ASP  40  -2.127 -12.178  -0.113
  301    HB2  ASP  40           2HB      ASP  40  -4.877 -11.924   1.092
  302    HB3  ASP  40           3HB      ASP  40  -4.360 -11.246  -0.453
  303    H    GLY  41           H        GLY  41  -2.637 -11.307   3.030
  304    HA2  GLY  41           2HA      GLY  41  -3.005  -8.338   2.670
  305    HA3  GLY  41           3HA      GLY  41  -3.350  -9.300   4.025
  306    H    LEU  42           H        LEU  42  -0.053  -9.914   2.926
  307    HA   LEU  42           HA       LEU  42   0.751  -8.412   5.396
  308    HB2  LEU  42           2HB      LEU  42   1.866 -10.669   3.784
  309    HB3  LEU  42           3HB      LEU  42   3.063  -9.576   4.450
  310    HG   LEU  42           HG       LEU  42   2.672 -11.502   5.882
  311   HD11  LEU  42          1HD1      LEU  42   1.803  -8.904   7.204
  312   HD12  LEU  42          2HD1      LEU  42   2.451 -10.342   8.008
  313   HD13  LEU  42          3HD1      LEU  42   3.471  -9.427   6.891
  314   HD21  LEU  42          3HD2      LEU  42  -0.111 -10.374   6.344
  315   HD22  LEU  42          1HD2      LEU  42   0.265 -11.833   5.412
  316   HD23  LEU  42          2HD2      LEU  42   0.612 -11.780   7.152
  317    H    PHE  43           H        PHE  43   0.199  -6.429   4.570
  318    HA   PHE  43           HA       PHE  43   1.778  -5.440   2.304
  319    HB2  PHE  43           2HB      PHE  43  -0.075  -4.376   1.666
  320    HB3  PHE  43           3HB      PHE  43  -0.843  -5.424   2.674
  321    HD1  PHE  43           HD2      PHE  43  -0.993  -4.885   5.272
  322    HD2  PHE  43           HD1      PHE  43  -0.698  -1.963   2.141
  323    HE1  PHE  43           HE2      PHE  43  -2.126  -3.233   6.729
  324    HE2  PHE  43           HE1      PHE  43  -1.986  -0.361   3.537
  325    HZ   PHE  43           HZ       PHE  43  -2.651  -0.963   5.844
  326    H    LEU  44           H        LEU  44   2.076  -3.185   2.103
  327    HA   LEU  44           HA       LEU  44   3.000  -1.586   4.418
  328    HB2  LEU  44           2HB      LEU  44   4.920  -2.973   3.378
  329    HB3  LEU  44           3HB      LEU  44   4.692  -2.047   1.917
  330    HG   LEU  44           HG       LEU  44   5.346   0.061   3.255
  331   HD11  LEU  44          1HD1      LEU  44   4.830  -0.874   5.525
  332   HD12  LEU  44          2HD1      LEU  44   6.136  -2.054   5.319
  333   HD13  LEU  44          3HD1      LEU  44   6.500  -0.313   5.379
  334   HD21  LEU  44          3HD2      LEU  44   7.346  -2.227   3.169
  335   HD22  LEU  44          1HD2      LEU  44   6.914  -1.180   1.803
  336   HD23  LEU  44          2HD2      LEU  44   7.707  -0.484   3.221
  337    H    VAL  45           H        VAL  45   3.048   0.772   3.845
  338    HA   VAL  45           HA       VAL  45   1.667   1.486   1.257
  339    HB   VAL  45           HB       VAL  45   1.332   3.036   3.846
  340   HG11  VAL  45          1HG1      VAL  45   1.033   4.324   1.709
  341   HG12  VAL  45          2HG1      VAL  45  -0.127   3.106   1.140
  342   HG13  VAL  45          3HG1      VAL  45  -0.505   4.112   2.550
  343   HG21  VAL  45          3HG2      VAL  45   0.190   0.890   4.129
  344   HG22  VAL  45          1HG2      VAL  45  -0.998   2.163   3.838
  345   HG23  VAL  45          2HG2      VAL  45  -0.551   1.056   2.516
  346    H    ARG  46           H        ARG  46   3.613   1.542   0.323
  347    HA   ARG  46           HA       ARG  46   5.376   3.906   0.949
  348    HB2  ARG  46           2HB      ARG  46   7.258   2.639   0.795
  349    HB3  ARG  46           3HB      ARG  46   6.236   1.349   1.362
  350    HG2  ARG  46           2HG      ARG  46   7.303   1.882  -1.424
  351    HG3  ARG  46           3HG      ARG  46   7.608   0.509  -0.362
  352    HD2  ARG  46           2HD      ARG  46   5.606  -0.503  -0.728
  353    HD3  ARG  46           3HD      ARG  46   4.810   0.921  -1.344
  354    HE   ARG  46           HE       ARG  46   5.683  -1.006  -2.948
  355   HH11  ARG  46          1HH1      ARG  46   7.147   2.246  -3.200
  356   HH12  ARG  46          2HH1      ARG  46   6.671   2.202  -4.906
  357   HH21  ARG  46          1HH2      ARG  46   5.634  -0.940  -5.009
  358   HH22  ARG  46          2HH2      ARG  46   6.017   0.579  -5.837
  359    H    GLU  47           H        GLU  47   6.664   4.566  -0.833
  360    HA   GLU  47           HA       GLU  47   5.398   4.134  -3.463
  361    HB2  GLU  47           2HB      GLU  47   5.016   6.544  -3.819
  362    HB3  GLU  47           3HB      GLU  47   4.071   5.934  -2.472
  363    HG2  GLU  47           2HG      GLU  47   5.972   6.871  -0.935
  364    HG3  GLU  47           3HG      GLU  47   6.515   7.739  -2.373
  365    HE2  GLU  47           2HE      GLU  47   4.335  10.228  -1.488
  366    H    SER  48           H        SER  48   6.673   6.252  -4.718
  367    HA   SER  48           HA       SER  48   9.569   5.846  -4.314
  368    HB2  SER  48           2HB      SER  48   9.787   5.890  -6.767
  369    HB3  SER  48           3HB      SER  48   8.779   4.526  -6.246
  370    HG   SER  48           HG       SER  48   7.058   5.445  -7.005
  371    H    GLN  49           H        GLN  49  10.764   7.611  -4.737
  372    HA   GLN  49           HA       GLN  49   9.420  10.191  -5.253
  373    HB2  GLN  49           2HB      GLN  49  11.269  11.173  -4.176
  374    HB3  GLN  49           3HB      GLN  49  10.829   9.744  -3.223
  375    HG2  GLN  49           2HG      GLN  49  13.174   9.896  -3.273
  376    HG3  GLN  49           3HG      GLN  49  12.690   8.485  -4.202
  377   HE21  GLN  49          1HE2      GLN  49  13.637   8.259  -6.259
  378   HE22  GLN  49          2HE2      GLN  49  14.486   9.569  -7.059
  379    H    ARG  50           H        ARG  50  10.265   7.756  -7.023
  380    HA   ARG  50           HA       ARG  50  11.476   9.062  -9.357
  381    HB2  ARG  50           2HB      ARG  50  12.599   7.050  -8.506
  382    HB3  ARG  50           3HB      ARG  50  11.118   6.116  -8.692
  383    HG2  ARG  50           2HG      ARG  50  12.644   5.619 -10.483
  384    HG3  ARG  50           3HG      ARG  50  11.212   6.384 -11.152
  385    HD2  ARG  50           2HD      ARG  50  13.786   7.905 -10.553
  386    HD3  ARG  50           3HD      ARG  50  13.503   7.064 -12.084
  387    HE   ARG  50           HE       ARG  50  11.269   8.736 -11.699
  388   HH11  ARG  50          1HH1      ARG  50  14.690   9.187 -12.303
  389   HH12  ARG  50          2HH1      ARG  50  14.447  10.754 -13.028
  390   HH21  ARG  50          1HH2      ARG  50  11.023  10.730 -12.584
  391   HH22  ARG  50          2HH2      ARG  50  12.401  11.597 -13.199
  392    H    ASN  51           H        ASN  51   8.536   6.609  -8.961
  393    HA   ASN  51           HA       ASN  51   7.587   7.529 -11.439
  394    HB2  ASN  51           2HB      ASN  51   6.264   6.070  -9.173
  395    HB3  ASN  51           3HB      ASN  51   5.326   6.694 -10.532
  396   HD21  ASN  51          1HD2      ASN  51   7.790   4.390  -9.614
  397   HD22  ASN  51          2HD2      ASN  51   8.067   3.766 -11.234
  398    HA   PRO  52           HA       PRO  52   6.819  11.659  -9.938
  399    HB2  PRO  52           2HB      PRO  52   5.437  12.815 -12.019
  400    HB3  PRO  52           3HB      PRO  52   7.161  12.347 -12.103
  401    HG2  PRO  52           2HG      PRO  52   4.756  10.744 -13.045
  402    HG3  PRO  52           3HG      PRO  52   6.250  11.136 -13.960
  403    HD2  PRO  52           2HD      PRO  52   5.973   8.763 -12.692
  404    HD3  PRO  52           3HD      PRO  52   7.543   9.625 -12.667
  405    H    GLN  53           H        GLN  53   4.297   9.486 -10.233
  406    HA   GLN  53           HA       GLN  53   2.225  11.177  -8.876
  407    HB2  GLN  53           2HB      GLN  53   1.942   9.150 -11.106
  408    HB3  GLN  53           3HB      GLN  53   0.606   9.889 -10.215
  409    HG2  GLN  53           2HG      GLN  53   1.300  12.136 -10.963
  410    HG3  GLN  53           3HG      GLN  53   2.637  11.444 -11.879
  411   HE21  GLN  53          2HE2      GLN  53   0.920  13.046 -13.257
  412   HE22  GLN  53          1HE2      GLN  53  -0.076  12.054 -14.313
  413    H    GLY  54           H        GLY  54   4.382   9.044  -7.658
  414    HA2  GLY  54           2HA      GLY  54   2.486   6.978  -7.069
  415    HA3  GLY  54           3HA      GLY  54   4.128   6.924  -6.645
  416    H    PHE  55           H        PHE  55   1.475   6.481  -5.629
  417    HA   PHE  55           HA       PHE  55   1.824   6.740  -2.722
  418    HB2  PHE  55           2HB      PHE  55  -0.822   7.499  -4.059
  419    HB3  PHE  55           3HB      PHE  55  -0.437   7.561  -2.348
  420    HD1  PHE  55           HD2      PHE  55   0.969   9.438  -1.460
  421    HD2  PHE  55           HD1      PHE  55  -0.171   9.230  -5.617
  422    HE1  PHE  55           HE2      PHE  55   1.584  11.829  -1.756
  423    HE2  PHE  55           HE1      PHE  55   0.469  11.608  -5.915
  424    HZ   PHE  55           HZ       PHE  55   1.341  12.913  -3.982
  425    H    VAL  56           H        VAL  56   2.348   4.346  -3.207
  426    HA   VAL  56           HA       VAL  56   0.130   2.677  -4.154
  427    HB   VAL  56           HB       VAL  56   1.667   1.483  -5.285
  428   HG11  VAL  56          1HG1      VAL  56   3.707   3.305  -3.993
  429   HG12  VAL  56          2HG1      VAL  56   4.141   2.113  -5.169
  430   HG13  VAL  56          3HG1      VAL  56   3.074   3.459  -5.615
  431   HG21  VAL  56          3HG2      VAL  56   2.049   0.027  -3.319
  432   HG22  VAL  56          1HG2      VAL  56   3.497   0.269  -4.242
  433   HG23  VAL  56          2HG2      VAL  56   3.291   1.178  -2.750
  434    H    LEU  57           H        LEU  57  -0.683   0.967  -3.276
  435    HA   LEU  57           HA       LEU  57  -0.168   0.381  -0.391
  436    HB2  LEU  57           2HB      LEU  57  -2.516   1.036  -1.107
  437    HB3  LEU  57           3HB      LEU  57  -2.574  -0.406  -2.110
  438    HG   LEU  57           HG       LEU  57  -2.210  -0.359   0.917
  439   HD11  LEU  57          1HD1      LEU  57  -4.507  -1.215   0.984
  440   HD12  LEU  57          2HD1      LEU  57  -4.462   0.350   0.167
  441   HD13  LEU  57          3HD1      LEU  57  -4.614  -1.142  -0.791
  442   HD21  LEU  57          3HD2      LEU  57  -2.778  -2.821   0.706
  443   HD22  LEU  57          1HD2      LEU  57  -2.557  -2.661  -1.052
  444   HD23  LEU  57          2HD2      LEU  57  -1.195  -2.403   0.066
  445    H    SER  58           H        SER  58   0.862  -1.748  -0.086
  446    HA   SER  58           HA       SER  58   1.537  -3.156  -2.661
  447    HB2  SER  58           2HB      SER  58   3.905  -3.343  -1.819
  448    HB3  SER  58           3HB      SER  58   3.395  -1.751  -2.407
  449    HG   SER  58           HG       SER  58   2.779  -1.691   0.097
  450    H    LEU  59           H        LEU  59   0.839  -5.101  -2.456
  451    HA   LEU  59           HA       LEU  59   0.451  -6.242   0.272
  452    HB2  LEU  59           2HB      LEU  59  -0.903  -6.618  -2.418
  453    HB3  LEU  59           3HB      LEU  59  -1.168  -7.757  -1.099
  454    HG   LEU  59           HG       LEU  59  -1.460  -4.811  -0.523
  455   HD11  LEU  59          1HD1      LEU  59  -2.803  -5.094  -2.563
  456   HD12  LEU  59          2HD1      LEU  59  -3.676  -6.436  -1.789
  457   HD13  LEU  59          3HD1      LEU  59  -3.811  -4.801  -1.134
  458   HD21  LEU  59          3HD2      LEU  59  -2.872  -5.498   1.207
  459   HD22  LEU  59          1HD2      LEU  59  -3.185  -7.090   0.462
  460   HD23  LEU  59          2HD2      LEU  59  -1.610  -6.745   1.186
  461    H    CYS  60           H        CYS  60   0.667  -8.602   0.478
  462    HA   CYS  60           HA       CYS  60   2.963  -9.661  -1.036
  463    HB2  CYS  60           2HB      CYS  60   4.066  -8.763   1.077
  464    HB3  CYS  60           3HB      CYS  60   2.919  -9.753   1.996
  465    HG   CYS  60           HG       CYS  60   5.580 -10.518   0.315
  466    H    HIS  61           H        HIS  61   1.994 -11.421  -1.824
  467    HA   HIS  61           HA       HIS  61  -0.221 -12.406  -0.213
  468    HB2  HIS  61           2HB      HIS  61  -1.402 -11.528  -1.904
  469    HB3  HIS  61           3HB      HIS  61  -0.019 -11.389  -2.872
  470    HD2  HIS  61           HD2      HIS  61  -3.247 -13.152  -2.817
  471    HE1  HIS  61           HE1      HIS  61  -1.017 -14.955  -5.951
  472    HE2  HIS  61           HE2      HIS  61  -3.325 -14.705  -4.924
  473    H    LEU  62           H        LEU  62  -0.783 -14.584  -1.856
  474    HA   LEU  62           HA       LEU  62   1.444 -16.439  -0.993
  475    HB2  LEU  62           2HB      LEU  62  -0.012 -17.917   0.012
  476    HB3  LEU  62           3HB      LEU  62  -0.968 -16.463   0.242
  477    HG   LEU  62           HG       LEU  62  -1.347 -18.656  -1.840
  478   HD11  LEU  62          1HD1      LEU  62  -3.531 -18.904  -0.770
  479   HD12  LEU  62          2HD1      LEU  62  -2.234 -19.057   0.430
  480   HD13  LEU  62          3HD1      LEU  62  -3.173 -17.549   0.324
  481   HD21  LEU  62          3HD2      LEU  62  -3.328 -17.414  -2.655
  482   HD22  LEU  62          1HD2      LEU  62  -2.840 -16.012  -1.681
  483   HD23  LEU  62          2HD2      LEU  62  -1.822 -16.575  -3.027
  484    H    GLN  63           H        GLN  63   0.940 -15.255  -3.560
  485    HA   GLN  63           HA       GLN  63   2.585 -17.378  -4.264
  486    HB2  GLN  63           2HB      GLN  63   0.376 -16.607  -6.312
  487    HB3  GLN  63           3HB      GLN  63   1.654 -17.759  -6.650
  488    HG2  GLN  63           2HG      GLN  63   0.717 -19.313  -4.962
  489    HG3  GLN  63           3HG      GLN  63  -0.605 -18.175  -4.659
  490   HE21  GLN  63          2HE2      GLN  63  -1.499 -20.577  -5.319
  491   HE22  GLN  63          1HE2      GLN  63  -2.003 -20.633  -7.004
  492    H    LYS  64           H        LYS  64   1.615 -14.143  -4.783
  493    HA   LYS  64           HA       LYS  64   4.342 -13.601  -5.624
  494    HB2  LYS  64           2HB      LYS  64   3.744 -12.319  -7.625
  495    HB3  LYS  64           3HB      LYS  64   3.038 -13.922  -7.742
  496    HG2  LYS  64           2HG      LYS  64   0.902 -12.697  -6.652
  497    HG3  LYS  64           3HG      LYS  64   1.673 -11.260  -7.316
  498    HD2  LYS  64           2HD      LYS  64   0.848 -13.766  -8.846
  499    HD3  LYS  64           3HD      LYS  64   0.019 -12.204  -8.874
  500    HE2  LYS  64           2HE      LYS  64   1.977 -11.140  -9.935
  501    HE3  LYS  64           3HE      LYS  64   2.885 -12.657  -9.836
  502    HZ1  LYS  64           3HZ      LYS  64   1.908 -12.369 -12.044
  503    HZ2  LYS  64           1HZ      LYS  64   1.254 -13.678 -11.326
  504    HZ3  LYS  64           2HZ      LYS  64   0.395 -12.290 -11.426
  505    H    VAL  65           H        VAL  65   4.419 -10.969  -5.987
  506    HA   VAL  65           HA       VAL  65   2.780  -9.612  -3.906
  507    HB   VAL  65           HB       VAL  65   4.557  -8.474  -2.893
  508   HG11  VAL  65          1HG1      VAL  65   4.167 -10.917  -2.222
  509   HG12  VAL  65          2HG1      VAL  65   5.606 -11.314  -3.154
  510   HG13  VAL  65          3HG1      VAL  65   5.719 -10.209  -1.766
  511   HG21  VAL  65          3HG2      VAL  65   6.947  -8.822  -3.419
  512   HG22  VAL  65          1HG2      VAL  65   6.487  -9.738  -4.875
  513   HG23  VAL  65          2HG2      VAL  65   6.070  -8.011  -4.719
  514    H    LYS  66           H        LYS  66   2.085  -7.585  -4.443
  515    HA   LYS  66           HA       LYS  66   3.023  -6.400  -7.006
  516    HB2  LYS  66           2HB      LYS  66   1.011  -8.164  -7.158
  517    HB3  LYS  66           3HB      LYS  66   0.040  -6.787  -6.633
  518    HG2  LYS  66           2HG      LYS  66   0.747  -5.507  -8.606
  519    HG3  LYS  66           3HG      LYS  66   1.882  -6.788  -9.066
  520    HD2  LYS  66           2HD      LYS  66   0.041  -8.386  -9.373
  521    HD3  LYS  66           3HD      LYS  66  -1.136  -7.176  -8.823
  522    HE2  LYS  66           2HE      LYS  66  -0.548  -5.728 -10.757
  523    HE3  LYS  66           3HE      LYS  66   0.629  -6.924 -11.311
  524    HZ1  LYS  66           3HZ      LYS  66  -1.548  -7.131 -12.456
  525    HZ2  LYS  66           1HZ      LYS  66  -1.201  -8.503 -11.640
  526    HZ3  LYS  66           2HZ      LYS  66  -2.305  -7.449 -11.048
  527    H    HIS  67           H        HIS  67   2.220  -4.277  -7.427
  528    HA   HIS  67           HA       HIS  67   1.716  -2.707  -4.932
  529    HB2  HIS  67           2HB      HIS  67   3.132  -1.861  -7.455
  530    HB3  HIS  67           3HB      HIS  67   2.984  -0.928  -5.982
  531    HD2  HIS  67           HD2      HIS  67   5.019  -3.755  -7.519
  532    HE1  HIS  67           HE1      HIS  67   6.286  -3.577  -3.456
  533    HE2  HIS  67           HE2      HIS  67   6.811  -4.521  -5.764
  534    H    TYR  68           H        TYR  68   0.312  -1.031  -4.959
  535    HA   TYR  68           HA       TYR  68  -1.721  -0.991  -7.165
  536    HB2  TYR  68           2HB      TYR  68  -2.010  -2.254  -4.950
  537    HB3  TYR  68           3HB      TYR  68  -2.058  -0.687  -4.182
  538    HD1  TYR  68           HD2      TYR  68  -4.045  -0.393  -7.176
  539    HD2  TYR  68           HD1      TYR  68  -3.906  -2.175  -3.243
  540    HE1  TYR  68           HE2      TYR  68  -6.529  -0.546  -7.133
  541    HE2  TYR  68           HE1      TYR  68  -6.375  -2.360  -3.226
  542    HH   TYR  68           HH       TYR  68  -8.408  -1.197  -5.910
  543    H    LEU  69           H        LEU  69  -0.130   0.860  -7.898
  544    HA   LEU  69           HA       LEU  69  -1.363   3.441  -7.055
  545    HB2  LEU  69           2HB      LEU  69   0.567   3.468  -5.935
  546    HB3  LEU  69           3HB      LEU  69   1.534   2.773  -7.223
  547    HG   LEU  69           HG       LEU  69   1.881   5.104  -6.616
  548   HD11  LEU  69          1HD1      LEU  69   2.560   5.794  -8.737
  549   HD12  LEU  69          2HD1      LEU  69   2.352   4.060  -8.944
  550   HD13  LEU  69          3HD1      LEU  69   1.115   5.182  -9.521
  551   HD21  LEU  69          3HD2      LEU  69  -0.695   5.547  -6.385
  552   HD22  LEU  69          1HD2      LEU  69   0.315   6.847  -6.962
  553   HD23  LEU  69          2HD2      LEU  69  -0.617   5.946  -8.110
  554    H    ILE  70           H        ILE  70  -2.031   4.498  -9.011
  555    HA   ILE  70           HA       ILE  70  -0.201   4.393 -11.313
  556    HB   ILE  70           HB       ILE  70  -3.067   3.517 -11.724
  557   HG12  ILE  70          2HG1      ILE  70  -0.274   2.346 -12.114
  558   HG13  ILE  70          3HG1      ILE  70  -1.575   1.738 -11.090
  559   HG21  ILE  70          1HG2      ILE  70  -2.455   5.168 -13.496
  560   HG22  ILE  70          2HG2      ILE  70  -0.979   4.248 -13.825
  561   HG23  ILE  70          3HG2      ILE  70  -2.578   3.548 -14.147
  562   HD11  ILE  70          3HD1      ILE  70  -1.323   0.237 -12.816
  563   HD12  ILE  70          1HD1      ILE  70  -2.780   1.155 -13.272
  564   HD13  ILE  70          2HD1      ILE  70  -1.252   1.534 -14.045
  565    H    LEU  71           H        LEU  71  -3.190   5.880  -9.938
  566    HA   LEU  71           HA       LEU  71  -2.318   8.391 -11.339
  567    HB2  LEU  71           2HB      LEU  71  -5.069   7.545 -10.423
  568    HB3  LEU  71           3HB      LEU  71  -4.731   8.896 -11.492
  569    HG   LEU  71           HG       LEU  71  -4.314   5.958 -12.251
  570   HD11  LEU  71          1HD1      LEU  71  -6.626   6.117 -11.838
  571   HD12  LEU  71          2HD1      LEU  71  -6.742   7.714 -12.626
  572   HD13  LEU  71          3HD1      LEU  71  -6.422   6.248 -13.580
  573   HD21  LEU  71          3HD2      LEU  71  -4.265   6.723 -14.528
  574   HD22  LEU  71          1HD2      LEU  71  -4.585   8.407 -14.027
  575   HD23  LEU  71          2HD2      LEU  71  -3.042   7.621 -13.612
  576    HA   PRO  72           HA       PRO  72  -2.274  10.432  -7.348
  577    HB2  PRO  72           2HB      PRO  72  -1.909  12.990  -8.112
  578    HB3  PRO  72           3HB      PRO  72  -0.697  11.739  -8.521
  579    HG2  PRO  72           2HG      PRO  72  -2.930  12.805 -10.286
  580    HG3  PRO  72           3HG      PRO  72  -1.191  12.651 -10.684
  581    HD2  PRO  72           2HD      PRO  72  -3.080  10.736 -11.336
  582    HD3  PRO  72           3HD      PRO  72  -1.374  10.348 -11.006
  583    H    SER  73           H        SER  73  -3.455  12.668  -6.486
  584    HA   SER  73           HA       SER  73  -6.204  12.146  -6.295
  585    HB2  SER  73           2HB      SER  73  -4.708  14.730  -5.797
  586    HB3  SER  73           3HB      SER  73  -6.388  14.419  -5.309
  587    HG   SER  73           HG       SER  73  -4.827  13.949  -3.652
  588    H    GLU  74           H        GLU  74  -7.991  12.618  -7.478
  589    HA   GLU  74           HA       GLU  74  -7.698  14.346  -9.914
  590    HB2  GLU  74           2HB      GLU  74  -9.636  12.068  -9.352
  591    HB3  GLU  74           3HB      GLU  74  -9.465  12.941 -10.872
  592    HG2  GLU  74           2HG      GLU  74  -7.414  11.079  -9.619
  593    HG3  GLU  74           3HG      GLU  74  -8.395  10.772 -11.040
  594    HE2  GLU  74           2HE      GLU  74  -5.476  11.472 -10.165
  595    H    GLU  75           H        GLU  75  -9.957  15.142 -10.697
  596    HA   GLU  75           HA       GLU  75 -11.351  16.546  -8.462
  597    HB2  GLU  75           2HB      GLU  75 -11.415  16.945 -11.476
  598    HB3  GLU  75           3HB      GLU  75 -12.324  17.901 -10.299
  599    HG2  GLU  75           2HG      GLU  75 -10.183  18.586  -9.214
  600    HG3  GLU  75           3HG      GLU  75  -9.286  17.713 -10.460
  601    H    GLU  76           H        GLU  76 -11.790  13.800 -10.417
  602    HA   GLU  76           HA       GLU  76 -14.717  13.647  -9.868
  603    HB2  GLU  76           2HB      GLU  76 -14.835  11.993 -11.649
  604    HB3  GLU  76           3HB      GLU  76 -14.218  13.541 -12.213
  605    HG2  GLU  76           2HG      GLU  76 -11.891  12.642 -12.167
  606    HG3  GLU  76           3HG      GLU  76 -12.508  11.083 -11.638
  607    H    GLY  77           H        GLY  77 -12.813  13.329  -7.851
  608    HA2  GLY  77           2HA      GLY  77 -13.525  11.345  -6.176
  609    HA3  GLY  77           3HA      GLY  77 -12.365  10.498  -7.200
  610    H    ARG  78           H        ARG  78 -10.844  10.293  -5.531
  611    HA   ARG  78           HA       ARG  78  -9.211  12.749  -4.936
  612    HB2  ARG  78           2HB      ARG  78  -9.815  10.593  -2.897
  613    HB3  ARG  78           3HB      ARG  78  -8.764  11.974  -2.645
  614    HG2  ARG  78           2HG      ARG  78 -11.756  12.257  -3.164
  615    HG3  ARG  78           3HG      ARG  78 -11.065  11.999  -1.575
  616    HD2  ARG  78           2HD      ARG  78 -11.440  14.345  -1.819
  617    HD3  ARG  78           3HD      ARG  78  -9.693  14.049  -1.792
  618    HE   ARG  78           HE       ARG  78 -10.832  14.148  -4.489
  619   HH11  ARG  78          1HH1      ARG  78  -9.808  16.313  -1.938
  620   HH12  ARG  78          2HH1      ARG  78  -9.352  17.570  -3.054
  621   HH21  ARG  78          1HH2      ARG  78 -10.052  15.697  -5.879
  622   HH22  ARG  78          2HH2      ARG  78  -9.554  17.243  -5.241
  623    H    LEU  79           H        LEU  79  -7.592  10.363  -3.394
  624    HA   LEU  79           HA       LEU  79  -5.711   9.899  -5.509
  625    HB2  LEU  79           2HB      LEU  79  -6.334   8.381  -2.948
  626    HB3  LEU  79           3HB      LEU  79  -5.048   7.893  -4.040
  627    HG   LEU  79           HG       LEU  79  -5.160  10.622  -2.686
  628   HD11  LEU  79          1HD1      LEU  79  -4.887   8.803  -1.040
  629   HD12  LEU  79          2HD1      LEU  79  -3.542   8.132  -1.992
  630   HD13  LEU  79          3HD1      LEU  79  -3.386   9.726  -1.222
  631   HD21  LEU  79          3HD2      LEU  79  -2.742  10.699  -3.326
  632   HD22  LEU  79          1HD2      LEU  79  -2.946   9.186  -4.232
  633   HD23  LEU  79          2HD2      LEU  79  -3.799  10.664  -4.736
  634    H    TYR  80           H        TYR  80  -5.941   8.609  -7.347
  635    HA   TYR  80           HA       TYR  80  -8.411   7.098  -7.492
  636    HB2  TYR  80           2HB      TYR  80  -6.848   8.497  -9.381
  637    HB3  TYR  80           3HB      TYR  80  -7.049   6.823  -9.900
  638    HD1  TYR  80           HD1      TYR  80  -9.042   9.654  -8.455
  639    HD2  TYR  80           HD2      TYR  80  -9.015   6.220 -11.074
  640    HE1  TYR  80           HE1      TYR  80 -11.385  10.139  -9.123
  641    HE2  TYR  80           HE2      TYR  80 -11.384   6.676 -11.684
  642    HH   TYR  80           HH       TYR  80 -13.214   9.413 -10.251
  643    H    PHE  81           H        PHE  81  -8.770   5.027  -7.986
  644    HA   PHE  81           HA       PHE  81  -6.796   3.085  -8.211
  645    HB2  PHE  81           2HB      PHE  81  -8.485   2.510  -5.815
  646    HB3  PHE  81           3HB      PHE  81  -7.148   1.582  -6.441
  647    HD1  PHE  81           HD1      PHE  81  -7.937   4.881  -4.798
  648    HD2  PHE  81           HD2      PHE  81  -5.004   1.786  -5.447
  649    HE1  PHE  81           HE1      PHE  81  -6.508   5.873  -3.054
  650    HE2  PHE  81           HE2      PHE  81  -3.563   2.801  -3.692
  651    HZ   PHE  81           HZ       PHE  81  -4.305   4.848  -2.506
  652    H    SER  82           H        SER  82  -7.383   1.262  -9.257
  653    HA   SER  82           HA       SER  82 -10.242   0.883  -9.972
  654    HB2  SER  82           2HB      SER  82  -8.018   1.182 -12.013
  655    HB3  SER  82           3HB      SER  82  -9.735   0.952 -12.327
  656    HG   SER  82           HG       SER  82  -9.236   3.132 -12.526
  657    H    MET  83           H        MET  83  -7.390  -1.001  -9.244
  658    HA   MET  83           HA       MET  83  -7.346  -3.289 -10.394
  659    HB2  MET  83           2HB      MET  83  -6.760  -2.910  -7.946
  660    HB3  MET  83           3HB      MET  83  -8.423  -3.234  -7.526
  661    HG2  MET  83           2HG      MET  83  -8.262  -5.530  -8.294
  662    HG3  MET  83           3HG      MET  83  -6.683  -5.228  -9.011
  663    HE1  MET  83           3HE      MET  83  -8.741  -5.845  -5.738
  664    HE2  MET  83           1HE      MET  83  -7.513  -5.691  -4.462
  665    HE3  MET  83           2HE      MET  83  -8.064  -4.246  -5.329
  666    H    ASP  84           H        ASP  84  -8.515  -5.145 -11.055
  667    HA   ASP  84           HA       ASP  84 -11.103  -4.879 -11.868
  668    HB2  ASP  84           2HB      ASP  84  -9.462  -6.541 -12.663
  669    HB3  ASP  84           3HB      ASP  84  -9.736  -7.492 -11.206
  670    H    ASP  85           H        ASP  85 -10.230  -6.149  -8.677
  671    HA   ASP  85           HA       ASP  85 -13.133  -6.283  -7.971
  672    HB2  ASP  85           2HB      ASP  85 -11.747  -8.395  -7.841
  673    HB3  ASP  85           3HB      ASP  85 -10.832  -7.637  -6.535
  674    H    GLY  86           H        GLY  86 -10.891  -3.973  -7.849
  675    HA2  GLY  86           2HA      GLY  86 -11.745  -2.861  -5.244
  676    HA3  GLY  86           3HA      GLY  86 -10.019  -3.083  -5.488
  677    H    GLN  87           H        GLN  87 -12.887  -1.357  -6.563
  678    HA   GLN  87           HA       GLN  87 -11.300   0.525  -8.240
  679    HB2  GLN  87           2HB      GLN  87 -13.545   1.338  -8.958
  680    HB3  GLN  87           3HB      GLN  87 -13.275  -0.357  -9.318
  681    HG2  GLN  87           2HG      GLN  87 -14.755  -1.100  -7.607
  682    HG3  GLN  87           3HG      GLN  87 -14.760   0.463  -6.786
  683   HE21  GLN  87          2HE2      GLN  87 -15.662  -1.060  -9.952
  684   HE22  GLN  87          1HE2      GLN  87 -16.944   0.093 -10.273
  685    H    THR  88           H        THR  88 -10.453   0.754  -5.799
  686    HA   THR  88           HA       THR  88 -12.077   2.598  -4.333
  687    HB   THR  88           HB       THR  88 -10.512   2.301  -2.451
  688    HG1  THR  88           1HG      THR  88  -8.597   1.918  -3.378
  689   HG21  THR  88          1HG2      THR  88 -11.186  -0.386  -3.717
  690   HG22  THR  88          2HG2      THR  88 -11.136   0.057  -1.993
  691   HG23  THR  88          3HG2      THR  88 -12.430   0.678  -3.033
  692    H    ARG  89           H        ARG  89 -10.484   3.668  -6.565
  693    HA   ARG  89           HA       ARG  89  -9.428   5.954  -6.236
  694    HB2  ARG  89           2HB      ARG  89 -10.895   6.992  -8.039
  695    HB3  ARG  89           3HB      ARG  89 -10.300   5.406  -8.397
  696    HG2  ARG  89           2HG      ARG  89 -12.519   5.652  -9.196
  697    HG3  ARG  89           3HG      ARG  89 -12.461   4.395  -7.979
  698    HD2  ARG  89           2HD      ARG  89 -13.585   5.823  -6.356
  699    HD3  ARG  89           3HD      ARG  89 -13.340   7.243  -7.388
  700    HE   ARG  89           HE       ARG  89 -15.199   6.765  -8.567
  701   HH11  ARG  89          1HH1      ARG  89 -14.394   3.660  -7.031
  702   HH12  ARG  89          2HH1      ARG  89 -15.881   2.959  -7.619
  703   HH21  ARG  89          1HH2      ARG  89 -17.041   5.728  -9.214
  704   HH22  ARG  89          2HH2      ARG  89 -17.309   4.071  -8.758
  705    H    PHE  90           H        PHE  90 -10.269   6.133  -3.759
  706    HA   PHE  90           HA       PHE  90 -11.069   8.934  -3.503
  707    HB2  PHE  90           2HB      PHE  90 -13.137   7.515  -3.175
  708    HB3  PHE  90           3HB      PHE  90 -12.319   6.708  -1.846
  709    HD1  PHE  90           HD2      PHE  90 -13.502  10.048  -3.076
  710    HD2  PHE  90           HD1      PHE  90 -12.364   7.693   0.358
  711    HE1  PHE  90           HE2      PHE  90 -14.284  11.862  -1.567
  712    HE2  PHE  90           HE1      PHE  90 -13.178   9.494   1.858
  713    HZ   PHE  90           HZ       PHE  90 -14.119  11.587   0.901
  714    H    THR  91           H        THR  91 -10.521   9.474  -0.965
  715    HA   THR  91           HA       THR  91  -7.734   8.942  -0.671
  716    HB   THR  91           HB       THR  91  -9.686   9.945   1.448
  717    HG1  THR  91           1HG      THR  91  -8.986  11.973   0.656
  718   HG21  THR  91          1HG2      THR  91  -7.465   9.396   2.404
  719   HG22  THR  91          2HG2      THR  91  -6.671  10.340   1.123
  720   HG23  THR  91          3HG2      THR  91  -7.695  11.145   2.332
  721    H    ASP  92           H        ASP  92  -6.789   7.048  -0.032
  722    HA   ASP  92           HA       ASP  92  -8.294   4.840   0.921
  723    HB2  ASP  92           2HB      ASP  92  -6.245   4.736  -0.471
  724    HB3  ASP  92           3HB      ASP  92  -5.286   5.266   0.911
  725    H    LEU  93           H        LEU  93  -6.317   7.224   2.676
  726    HA   LEU  93           HA       LEU  93  -6.270   5.888   5.154
  727    HB2  LEU  93           2HB      LEU  93  -4.824   7.731   4.517
  728    HB3  LEU  93           3HB      LEU  93  -6.162   8.871   4.503
  729    HG   LEU  93           HG       LEU  93  -5.555   7.370   7.066
  730   HD11  LEU  93          1HD1      LEU  93  -4.015   9.803   6.063
  731   HD12  LEU  93          2HD1      LEU  93  -3.916   9.106   7.698
  732   HD13  LEU  93          3HD1      LEU  93  -3.358   8.168   6.306
  733   HD21  LEU  93          3HD2      LEU  93  -6.243   9.517   8.099
  734   HD22  LEU  93          1HD2      LEU  93  -6.433  10.248   6.491
  735   HD23  LEU  93          2HD2      LEU  93  -7.509   8.942   7.019
  736    H    LEU  94           H        LEU  94  -8.863   7.846   3.741
  737    HA   LEU  94           HA       LEU  94 -10.446   7.931   6.215
  738    HB2  LEU  94           2HB      LEU  94 -11.203   8.512   3.321
  739    HB3  LEU  94           3HB      LEU  94 -12.230   8.802   4.722
  740    HG   LEU  94           HG       LEU  94  -9.567  10.183   4.163
  741   HD11  LEU  94          1HD1      LEU  94 -11.394  10.915   2.682
  742   HD12  LEU  94          2HD1      LEU  94 -12.425  11.228   4.094
  743   HD13  LEU  94          3HD1      LEU  94 -10.952  12.185   3.828
  744   HD21  LEU  94          3HD2      LEU  94 -10.207  11.685   6.047
  745   HD22  LEU  94          1HD2      LEU  94 -11.569  10.607   6.424
  746   HD23  LEU  94          2HD2      LEU  94  -9.890  10.038   6.586
  747    H    GLN  95           H        GLN  95 -10.357   5.880   3.298
  748    HA   GLN  95           HA       GLN  95 -12.549   4.187   4.164
  749    HB2  GLN  95           2HB      GLN  95 -10.793   4.441   1.834
  750    HB3  GLN  95           3HB      GLN  95 -10.848   2.777   2.364
  751    HG2  GLN  95           2HG      GLN  95 -12.609   2.932   0.836
  752    HG3  GLN  95           3HG      GLN  95 -13.426   2.992   2.394
  753   HE21  GLN  95          2HE2      GLN  95 -14.077   5.323   3.161
  754   HE22  GLN  95          1HE2      GLN  95 -14.379   6.492   1.892
  755    H    LEU  96           H        LEU  96  -9.057   4.069   4.774
  756    HA   LEU  96           HA       LEU  96  -8.793   1.467   5.741
  757    HB2  LEU  96           2HB      LEU  96  -7.000   3.044   5.279
  758    HB3  LEU  96           3HB      LEU  96  -7.420   4.022   6.676
  759    HG   LEU  96           HG       LEU  96  -6.691   1.101   7.056
  760   HD11  LEU  96          1HD1      LEU  96  -4.317   1.750   7.263
  761   HD12  LEU  96          2HD1      LEU  96  -4.918   2.026   5.623
  762   HD13  LEU  96          3HD1      LEU  96  -4.716   3.400   6.732
  763   HD21  LEU  96          3HD2      LEU  96  -5.713   1.958   9.176
  764   HD22  LEU  96          1HD2      LEU  96  -6.198   3.608   8.741
  765   HD23  LEU  96          2HD2      LEU  96  -7.421   2.369   9.079
  766    H    VAL  97           H        VAL  97 -10.166   4.260   7.463
  767    HA   VAL  97           HA       VAL  97 -10.402   3.160  10.063
  768    HB   VAL  97           HB       VAL  97 -12.382   4.994   8.647
  769   HG11  VAL  97          1HG1      VAL  97 -12.873   5.826  10.940
  770   HG12  VAL  97          2HG1      VAL  97 -13.323   4.134  10.751
  771   HG13  VAL  97          3HG1      VAL  97 -11.828   4.558  11.616
  772   HG21  VAL  97          3HG2      VAL  97 -11.108   6.835   9.742
  773   HG22  VAL  97          1HG2      VAL  97  -9.904   5.653  10.304
  774   HG23  VAL  97          2HG2      VAL  97 -10.121   5.970   8.568
  775    H    GLU  98           H        GLU  98 -12.497   2.650   7.216
  776    HA   GLU  98           HA       GLU  98 -14.360   0.867   8.671
  777    HB2  GLU  98           2HB      GLU  98 -15.161   2.393   6.879
  778    HB3  GLU  98           3HB      GLU  98 -14.074   1.615   5.730
  779    HG2  GLU  98           2HG      GLU  98 -16.216   0.726   5.325
  780    HG3  GLU  98           3HG      GLU  98 -15.279  -0.547   6.083
  781    H    PHE  99           H        PHE  99 -11.881   0.494   6.072
  782    HA   PHE  99           HA       PHE  99 -12.102  -2.332   5.959
  783    HB2  PHE  99           2HB      PHE  99  -9.869  -0.421   5.206
  784    HB3  PHE  99           3HB      PHE  99  -9.747  -2.133   4.900
  785    HD1  PHE  99           HD2      PHE  99 -12.347  -2.995   3.880
  786    HD2  PHE  99           HD1      PHE  99 -10.184   0.670   3.163
  787    HE1  PHE  99           HE2      PHE  99 -13.523  -2.724   1.725
  788    HE2  PHE  99           HE1      PHE  99 -11.355   0.915   0.975
  789    HZ   PHE  99           HZ       PHE  99 -13.037  -0.768   0.269
  790    H    HIS 100           H        HIS 100 -10.469  -0.492   8.402
  791    HA   HIS 100           HA       HIS 100  -8.338  -1.823   9.288
  792    HB2  HIS 100           2HB      HIS 100  -9.225   0.088  10.442
  793    HB3  HIS 100           3HB      HIS 100 -10.699  -0.760  10.887
  794    HD1  HIS 100           HD1      HIS 100 -10.693  -1.583  13.337
  795    HD2  HIS 100           HD2      HIS 100  -6.851  -1.204  11.606
  796    HE1  HIS 100           HE1      HIS 100  -8.997  -2.194  15.183
  797    HE2  HIS 100           HE2      HIS 100  -6.663  -1.960  14.121
  798    H    GLN 101           H        GLN 101 -11.600  -3.055  10.148
  799    HA   GLN 101           HA       GLN 101 -10.443  -5.380  11.487
  800    HB2  GLN 101           2HB      GLN 101 -12.668  -6.003  12.091
  801    HB3  GLN 101           3HB      GLN 101 -12.296  -4.363  12.560
  802    HG2  GLN 101           2HG      GLN 101 -14.018  -5.085  10.144
  803    HG3  GLN 101           3HG      GLN 101 -14.645  -4.810  11.753
  804   HE21  GLN 101          2HE2      GLN 101 -15.743  -3.259   9.835
  805   HE22  GLN 101          1HE2      GLN 101 -14.993  -1.679   9.741
  806    H    LEU 102           H        LEU 102 -12.349  -4.932   8.493
  807    HA   LEU 102           HA       LEU 102 -11.320  -7.535   7.471
  808    HB2  LEU 102           2HB      LEU 102 -14.211  -6.569   7.359
  809    HB3  LEU 102           3HB      LEU 102 -13.540  -7.762   6.274
  810    HG   LEU 102           HG       LEU 102 -14.776  -8.955   7.791
  811   HD11  LEU 102          1HD1      LEU 102 -12.570  -9.971   7.313
  812   HD12  LEU 102          2HD1      LEU 102 -11.938  -9.281   8.824
  813   HD13  LEU 102          3HD1      LEU 102 -13.248 -10.473   8.868
  814   HD21  LEU 102          3HD2      LEU 102 -14.985  -7.266   9.585
  815   HD22  LEU 102          1HD2      LEU 102 -14.694  -8.910  10.172
  816   HD23  LEU 102          2HD2      LEU 102 -13.373  -7.736  10.182
  817    H    ASN 103           H        ASN 103  -9.770  -6.368   6.391
  818    HA   ASN 103           HA       ASN 103 -10.258  -4.213   4.634
  819    HB2  ASN 103           2HB      ASN 103  -7.926  -6.140   4.360
  820    HB3  ASN 103           3HB      ASN 103  -7.967  -4.427   3.990
  821   HD21  ASN 103          2HD2      ASN 103  -7.090  -3.073   5.568
  822   HD22  ASN 103          1HD2      ASN 103  -6.868  -3.574   7.235
  823    H    ARG 104           H        ARG 104  -9.464  -4.308   2.170
  824    HA   ARG 104           HA       ARG 104 -11.298  -6.170   0.807
  825    HB2  ARG 104           2HB      ARG 104 -11.086  -4.704  -1.065
  826    HB3  ARG 104           3HB      ARG 104 -11.327  -3.763   0.401
  827    HG2  ARG 104           2HG      ARG 104  -8.697  -3.500   0.407
  828    HG3  ARG 104           3HG      ARG 104  -8.805  -4.062  -1.273
  829    HD2  ARG 104           2HD      ARG 104 -10.492  -2.252  -1.699
  830    HD3  ARG 104           3HD      ARG 104 -10.261  -1.691  -0.041
  831    HE   ARG 104           HE       ARG 104  -8.284  -1.599  -2.273
  832   HH11  ARG 104          1HH1      ARG 104  -9.063  -0.378   0.968
  833   HH12  ARG 104          2HH1      ARG 104  -7.895   0.941   0.744
  834   HH21  ARG 104          1HH2      ARG 104  -6.852   0.185  -2.299
  835   HH22  ARG 104          2HH2      ARG 104  -6.795   1.191  -0.843
  836    H    GLY 105           H        GLY 105  -8.205  -6.692   1.694
  837    HA2  GLY 105           2HA      GLY 105  -6.321  -7.801   0.861
  838    HA3  GLY 105           3HA      GLY 105  -7.540  -8.789   0.077
  839    H    ILE 106           H        ILE 106  -5.680  -9.121  -1.325
  840    HA   ILE 106           HA       ILE 106  -5.289  -7.125  -3.523
  841    HB   ILE 106           HB       ILE 106  -3.459  -8.606  -2.370
  842   HG12  ILE 106          2HG1      ILE 106  -3.585  -8.462  -5.406
  843   HG13  ILE 106          3HG1      ILE 106  -3.029  -7.195  -4.312
  844   HG21  ILE 106          1HG2      ILE 106  -4.839 -10.749  -2.678
  845   HG22  ILE 106          2HG2      ILE 106  -4.323 -10.707  -4.375
  846   HG23  ILE 106          3HG2      ILE 106  -3.124 -10.807  -3.089
  847   HD11  ILE 106          3HD1      ILE 106  -1.096  -8.311  -5.215
  848   HD12  ILE 106          1HD1      ILE 106  -1.218  -8.779  -3.507
  849   HD13  ILE 106          2HD1      ILE 106  -1.722  -9.908  -4.784
  850    H    LEU 107           H        LEU 107  -5.424  -8.577  -5.916
  851    HA   LEU 107           HA       LEU 107  -8.126  -9.321  -6.227
  852    HB2  LEU 107           2HB      LEU 107  -5.675  -9.419  -7.834
  853    HB3  LEU 107           3HB      LEU 107  -6.706 -10.796  -8.174
  854    HG   LEU 107           HG       LEU 107  -7.738  -7.928  -8.210
  855   HD11  LEU 107          1HD1      LEU 107  -5.973  -8.230  -9.908
  856   HD12  LEU 107          2HD1      LEU 107  -6.799  -9.682 -10.521
  857   HD13  LEU 107          3HD1      LEU 107  -7.566  -8.085 -10.663
  858   HD21  LEU 107          3HD2      LEU 107  -9.594  -8.926  -9.502
  859   HD22  LEU 107          1HD2      LEU 107  -8.859 -10.531  -9.356
  860   HD23  LEU 107          2HD2      LEU 107  -9.482  -9.693  -7.923
  861    HA   PRO 108           HA       PRO 108  -7.300 -12.028  -3.322
  862    HB2  PRO 108           2HB      PRO 108  -9.710 -12.406  -2.142
  863    HB3  PRO 108           3HB      PRO 108  -9.107 -10.779  -2.538
  864    HG2  PRO 108           2HG      PRO 108 -10.969 -12.526  -4.196
  865    HG3  PRO 108           3HG      PRO 108 -11.221 -10.827  -3.685
  866    HD2  PRO 108           2HD      PRO 108 -10.196 -11.441  -6.136
  867    HD3  PRO 108           3HD      PRO 108  -9.653 -10.027  -5.190
  868    H    CYS 109           H        CYS 109  -7.099 -13.731  -2.100
  869    HA   CYS 109           HA       CYS 109  -8.471 -16.332  -2.514
  870    HB2  CYS 109           2HB      CYS 109  -5.590 -15.503  -2.382
  871    HB3  CYS 109           3HB      CYS 109  -6.037 -16.822  -1.325
  872    HG   CYS 109           HG       CYS 109  -6.726 -16.514  -4.563
  873    H    LEU 110           H        LEU 110  -6.858 -14.027  -0.367
  874    HA   LEU 110           HA       LEU 110  -8.738 -14.515   1.890
  875    HB2  LEU 110           2HB      LEU 110  -5.704 -14.131   2.057
  876    HB3  LEU 110           3HB      LEU 110  -6.782 -13.854   3.392
  877    HG   LEU 110           HG       LEU 110  -5.744 -15.884   3.783
  878   HD11  LEU 110          1HD1      LEU 110  -8.153 -15.796   4.348
  879   HD12  LEU 110          2HD1      LEU 110  -8.530 -16.603   2.805
  880   HD13  LEU 110          3HD1      LEU 110  -7.572 -17.440   4.041
  881   HD21  LEU 110          3HD2      LEU 110  -6.721 -17.096   1.188
  882   HD22  LEU 110          1HD2      LEU 110  -5.084 -16.461   1.445
  883   HD23  LEU 110          2HD2      LEU 110  -5.677 -17.819   2.413
  884    H    LEU 111           H        LEU 111  -9.036 -12.485   3.186
  885    HA   LEU 111           HA       LEU 111  -8.430 -10.073   1.524
  886    HB2  LEU 111           2HB      LEU 111 -10.551  -9.183   1.848
  887    HB3  LEU 111           3HB      LEU 111 -10.655 -10.766   1.138
  888    HG   LEU 111           HG       LEU 111 -12.474 -10.208   2.670
  889   HD11  LEU 111          1HD1      LEU 111 -11.857 -12.585   2.266
  890   HD12  LEU 111          2HD1      LEU 111 -10.921 -12.570   3.780
  891   HD13  LEU 111          3HD1      LEU 111 -12.667 -12.294   3.815
  892   HD21  LEU 111          3HD2      LEU 111 -12.330  -9.986   4.976
  893   HD22  LEU 111          1HD2      LEU 111 -10.663 -10.574   5.062
  894   HD23  LEU 111          2HD2      LEU 111 -11.008  -8.972   4.376
  895    H    ARG 112           H        ARG 112  -8.153 -11.077   4.857
  896    HA   ARG 112           HA       ARG 112  -8.157  -8.279   5.767
  897    HB2  ARG 112           2HB      ARG 112  -7.828  -9.085   7.975
  898    HB3  ARG 112           3HB      ARG 112  -9.096 -10.021   7.191
  899    HG2  ARG 112           2HG      ARG 112  -7.434 -11.868   6.780
  900    HG3  ARG 112           3HG      ARG 112  -6.217 -10.943   7.671
  901    HD2  ARG 112           2HD      ARG 112  -8.890 -11.876   8.791
  902    HD3  ARG 112           3HD      ARG 112  -7.343 -12.705   9.033
  903    HE   ARG 112           HE       ARG 112  -6.827 -10.141   9.919
  904   HH11  ARG 112          1HH1      ARG 112  -9.166 -12.572  10.868
  905   HH12  ARG 112          2HH1      ARG 112  -9.271 -11.971  12.501
  906   HH21  ARG 112          1HH2      ARG 112  -7.019  -9.409  12.016
  907   HH22  ARG 112          2HH2      ARG 112  -8.072 -10.231  13.129
  908    H    HIS 113           H        HIS 113  -6.454  -7.037   6.491
  909    HA   HIS 113           HA       HIS 113  -3.778  -7.803   5.386
  910    HB2  HIS 113           2HB      HIS 113  -4.650  -5.048   6.289
  911    HB3  HIS 113           3HB      HIS 113  -3.201  -5.500   5.446
  912    HD2  HIS 113           HD2      HIS 113  -5.016  -7.261   3.125
  913    HE1  HIS 113           HE1      HIS 113  -5.790  -3.239   1.923
  914    HE2  HIS 113           HE2      HIS 113  -5.773  -5.657   1.163
  915    H    CYS 114           H        CYS 114  -1.926  -7.393   6.426
  916    HA   CYS 114           HA       CYS 114  -1.813  -6.835   9.286
  917    HB2  CYS 114           2HB      CYS 114  -0.052  -9.089   8.693
  918    HB3  CYS 114           3HB      CYS 114  -1.207  -8.819   9.995
  919    HG   CYS 114           HG       CYS 114  -1.968  -9.942   6.992
  920    H    CYS 115           H        CYS 115   0.687  -6.633   9.869
  921    HA   CYS 115           HA       CYS 115   1.764  -4.857   7.733
  922    HB2  CYS 115           2HB      CYS 115   2.472  -5.072  10.670
  923    HB3  CYS 115           3HB      CYS 115   3.042  -3.849   9.521
  924    HG   CYS 115           HG       CYS 115   0.703  -2.888   8.895
  925    H    THR 116           H        THR 116   3.622  -5.170   6.645
  926    HA   THR 116           HA       THR 116   5.284  -7.560   7.327
  927    HB   THR 116           HB       THR 116   3.929  -7.507   5.173
  928    HG1  THR 116           1HG      THR 116   5.772  -8.505   4.133
  929   HG21  THR 116          1HG2      THR 116   6.316  -5.894   4.155
  930   HG22  THR 116          2HG2      THR 116   4.957  -6.522   3.215
  931   HG23  THR 116          3HG2      THR 116   4.693  -5.220   4.385
  932    H    ARG 117           H        ARG 117   7.512  -7.567   6.571
  933    HA   ARG 117           HA       ARG 117   9.024  -5.365   7.747
  934    HB2  ARG 117           2HB      ARG 117   9.843  -7.892   6.243
  935    HB3  ARG 117           3HB      ARG 117  10.994  -6.751   6.942
  936    HG2  ARG 117           2HG      ARG 117  10.165  -7.162   9.195
  937    HG3  ARG 117           3HG      ARG 117   8.855  -8.178   8.580
  938    HD2  ARG 117           2HD      ARG 117  10.650  -9.549   9.491
  939    HD3  ARG 117           3HD      ARG 117  10.443  -9.848   7.774
  940    HE   ARG 117           HE       ARG 117  12.675  -8.345   9.094
  941   HH11  ARG 117          1HH1      ARG 117  11.556  -9.908   6.131
  942   HH12  ARG 117          2HH1      ARG 117  13.139  -9.748   5.384
  943   HH21  ARG 117          1HH2      ARG 117  14.656  -8.277   8.027
  944   HH22  ARG 117          2HH2      ARG 117  14.768  -8.931   6.399
  945    H    VAL 118           H        VAL 118  10.371  -3.889   6.787
  946    HA   VAL 118           HA       VAL 118   9.893  -3.250   3.934
  947    HB   VAL 118           HB       VAL 118  11.645  -1.752   5.913
  948   HG11  VAL 118          1HG1      VAL 118  10.312  -0.910   3.294
  949   HG12  VAL 118          2HG1      VAL 118  11.203   0.167   4.390
  950   HG13  VAL 118          3HG1      VAL 118  12.054  -1.132   3.557
  951   HG21  VAL 118          3HG2      VAL 118   9.683  -0.207   6.149
  952   HG22  VAL 118          1HG2      VAL 118   8.691  -1.390   5.267
  953   HG23  VAL 118          2HG2      VAL 118   9.386  -1.797   6.848
  954    H    ALA 119           H        ALA 119  12.575  -4.393   5.973
  955    HA   ALA 119           HA       ALA 119  14.544  -4.339   3.827
  956    HB1  ALA 119           3HB      ALA 119  14.624  -5.545   6.624
  957    HB2  ALA 119           1HB      ALA 119  16.017  -5.285   5.553
  958    HB3  ALA 119           2HB      ALA 119  15.121  -3.892   6.184
  959    H    LEU 120           H        LEU 120  15.849  -6.290   3.335
  960    HA   LEU 120           HA       LEU 120  14.361  -8.426   2.165
  961    HB2  LEU 120           2HB      LEU 120  16.641  -7.506   1.484
  962    HB3  LEU 120           3HB      LEU 120  17.329  -8.297   2.880
  963    HG   LEU 120           HG       LEU 120  17.736  -9.435   0.742
  964   HD11  LEU 120          1HD1      LEU 120  17.343 -11.686   1.434
  965   HD12  LEU 120          2HD1      LEU 120  17.726 -10.722   2.871
  966   HD13  LEU 120          3HD1      LEU 120  16.047 -11.194   2.534
  967   HD21  LEU 120          3HD2      LEU 120  15.603  -8.954  -0.385
  968   HD22  LEU 120          1HD2      LEU 120  15.996 -10.677  -0.416
  969   HD23  LEU 120          2HD2      LEU 120  14.764 -10.082   0.708
  970    H2   PRO1135           H2       PRO1135  12.177  -4.628 -13.478
  971    H3   PRO1135           H3       PRO1135  12.654  -5.776 -14.566
  972    HA   PRO1135           HA       PRO1135  11.837  -7.551 -13.253
  973    HB2  PRO1135           2HB      PRO1135  11.259  -5.556 -11.044
  974    HB3  PRO1135           3HB      PRO1135  11.512  -7.324 -10.910
  975    HG2  PRO1135           2HG      PRO1135  13.530  -5.346 -10.656
  976    HG3  PRO1135           3HG      PRO1135  13.843  -7.063 -11.035
  977    HD2  PRO1135           2HD      PRO1135  14.352  -4.878 -12.777
  978    HD3  PRO1135           3HD      PRO1135  14.326  -6.607 -13.196
  979    H    GLN1136           H        GLN1136   9.606  -8.187 -12.722
  980    HA   GLN1136           HA       GLN1136   7.433  -6.332 -13.347
  981    HB2  GLN1136           2HB      GLN1136   6.566  -7.669 -15.223
  982    HB3  GLN1136           3HB      GLN1136   8.148  -6.989 -15.584
  983    HG2  GLN1136           2HG      GLN1136   9.199  -9.205 -15.112
  984    HG3  GLN1136           3HG      GLN1136   7.607  -9.881 -14.757
  985   HE21  GLN1136          2HE2      GLN1136   8.807 -11.303 -16.600
  986   HE22  GLN1136          1HE2      GLN1136   8.255 -10.892 -18.219
  987    HA   PRO1137           HA       PRO1137   5.046  -6.786 -13.924
  988    HB2  PRO1137           2HB      PRO1137   2.713  -6.622 -12.567
  989    HB3  PRO1137           3HB      PRO1137   3.136  -8.061 -13.547
  990    HG2  PRO1137           2HG      PRO1137   3.497  -7.687 -10.548
  991    HG3  PRO1137           3HG      PRO1137   2.683  -9.042 -11.398
  992    HD2  PRO1137           2HD      PRO1137   5.289  -9.183 -10.605
  993    HD3  PRO1137           3HD      PRO1137   4.744  -9.926 -12.136
  994    H    GLU1138           H        GLU1138   4.342  -4.563 -13.613
  995    HA   GLU1138           HA       GLU1138   5.719  -3.180 -11.414
  996    HB2  GLU1138           2HB      GLU1138   4.446  -2.333 -14.004
  997    HB3  GLU1138           3HB      GLU1138   4.691  -1.131 -12.734
  998    HG2  GLU1138           2HG      GLU1138   6.977  -1.451 -12.626
  999    HG3  GLU1138           3HG      GLU1138   6.953  -2.921 -13.621
 1000    H    PTR1139           H        PTR1139   2.643  -1.956 -12.525
 1001    HA   PTR1139           HA       PTR1139   1.682  -1.939  -9.750
 1002    HB2  PTR1139           2HB      PTR1139   1.409   0.118 -11.848
 1003    HB3  PTR1139           3HB      PTR1139   0.620   0.163 -10.298
 1004    HD1  PTR1139           1HD      PTR1139   1.992   0.435  -8.097
 1005    HD2  PTR1139           2HD      PTR1139   3.776   0.880 -12.052
 1006    HE1  PTR1139           1HE      PTR1139   3.728   1.912  -7.205
 1007    HE2  PTR1139           2HE      PTR1139   5.395   2.587 -11.033
 1008    H    VAL1140           H        VAL1140  -0.772  -1.019 -10.033
 1009    HA   VAL1140           HA       VAL1140  -2.592  -2.893 -11.361
 1010    HB   VAL1140           HB       VAL1140  -2.853  -2.365  -8.263
 1011   HG11  VAL1140          1HG1      VAL1140  -4.702  -3.988  -8.332
 1012   HG12  VAL1140          2HG1      VAL1140  -5.033  -2.543  -9.283
 1013   HG13  VAL1140          3HG1      VAL1140  -4.583  -4.070 -10.105
 1014   HG21  VAL1140          3HG2      VAL1140  -2.527  -4.767  -7.849
 1015   HG22  VAL1140          1HG2      VAL1140  -2.438  -5.097  -9.597
 1016   HG23  VAL1140          2HG2      VAL1140  -1.139  -4.209  -8.791
 1017    H    ASN1141           H        ASN1141  -4.132  -2.166 -11.576
 1018    HA   ASN1141           HA       ASN1141  -6.047  -0.804 -11.766
 1019    HB2  ASN1141           2HB      ASN1141  -4.063   1.499 -11.707
 1020    HB3  ASN1141           3HB      ASN1141  -5.786   1.643 -12.052
 1021   HD21  ASN1141          2HD2      ASN1141  -4.026   2.659  -9.706
 1022   HD22  ASN1141          1HD2      ASN1141  -4.509   1.678  -8.340
 1023    H    GLN1142           H        GLN1142  -2.610  -0.840 -13.105
 1024    HA   GLN1142           HA       GLN1142  -3.539  -2.772 -14.890
 1025    HB2  GLN1142           2HB      GLN1142  -1.394  -0.642 -14.966
 1026    HB3  GLN1142           3HB      GLN1142  -1.430  -1.890 -16.225
 1027    HG2  GLN1142           2HG      GLN1142  -2.566  -0.507 -17.521
 1028    HG3  GLN1142           3HG      GLN1142  -3.952  -1.012 -16.589
 1029   HE21  GLN1142          1HE2      GLN1142  -5.106   0.662 -15.473
 1030   HE22  GLN1142          2HE2      GLN1142  -4.528   2.335 -15.453
 1031    HA   PRO1143           HA       PRO1143   0.543  -2.539 -13.338
 1032    HB2  PRO1143           2HB      PRO1143   2.688  -3.661 -14.668
 1033    HB3  PRO1143           3HB      PRO1143   1.858  -4.443 -13.280
 1034    HG2  PRO1143           2HG      PRO1143   1.374  -4.896 -16.246
 1035    HG3  PRO1143           3HG      PRO1143   1.653  -6.126 -14.970
 1036    HD2  PRO1143           2HD      PRO1143  -0.854  -5.505 -15.730
 1037    HD3  PRO1143           3HD      PRO1143  -0.467  -5.735 -14.002
 1038    H    ASP1144           H        ASP1144   0.997  -0.640 -13.738
 1039    HA   ASP1144           HA       ASP1144   0.118   0.947 -15.406
 1040    HB2  ASP1144           2HB      ASP1144   1.475   1.742 -13.588
 1041    HB3  ASP1144           3HB      ASP1144   2.958   1.149 -14.331
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  10.310  -3.539  42.987
    2    H2   GLY   1           H2       GLY   1   9.440  -4.922  42.894
    3    H3   GLY   1           H3       GLY   1   9.744  -4.054  41.538
    4    HA2  GLY   1           2HA      GLY   1  11.760  -5.460  43.178
    5    HA3  GLY   1           3HA      GLY   1  11.153  -6.008  41.606
    6    H    SER   2           H        SER   2  13.357  -5.994  40.859
    7    HA   SER   2           HA       SER   2  15.025  -3.683  40.830
    8    HB2  SER   2           2HB      SER   2  15.060  -6.123  39.013
    9    HB3  SER   2           3HB      SER   2  16.381  -4.958  39.205
   10    HG   SER   2           HG       SER   2  16.657  -6.805  40.532
   11    HA   PRO   3           HA       PRO   3  13.477  -1.403  37.305
   12    HB2  PRO   3           2HB      PRO   3  15.693  -0.060  36.435
   13    HB3  PRO   3           3HB      PRO   3  14.871   0.310  37.982
   14    HG2  PRO   3           2HG      PRO   3  17.303  -1.457  37.550
   15    HG3  PRO   3           3HG      PRO   3  17.106  -0.123  38.733
   16    HD2  PRO   3           2HD      PRO   3  16.709  -2.715  39.436
   17    HD3  PRO   3           3HD      PRO   3  15.663  -1.419  40.088
   18    H    ALA   4           H        ALA   4  13.530  -1.282  35.002
   19    HA   ALA   4           HA       ALA   4  15.212  -3.179  33.481
   20    HB1  ALA   4           3HB      ALA   4  12.163  -3.317  33.559
   21    HB2  ALA   4           1HB      ALA   4  13.225  -4.285  32.513
   22    HB3  ALA   4           2HB      ALA   4  13.274  -4.509  34.271
   23    H    SER   5           H        SER   5  14.874  -3.003  31.136
   24    HA   SER   5           HA       SER   5  13.709  -0.474  30.115
   25    HB2  SER   5           2HB      SER   5  15.741   0.040  28.841
   26    HB3  SER   5           3HB      SER   5  16.037   0.075  30.584
   27    HG   SER   5           HG       SER   5  17.684  -1.039  29.462
   28    H    GLY   6           H        GLY   6  13.574  -0.426  27.729
   29    HA2  GLY   6           2HA      GLY   6  12.941  -1.355  25.697
   30    HA3  GLY   6           3HA      GLY   6  13.747  -2.851  26.156
   31    H    THR   7           H        THR   7  12.098  -4.185  25.386
   32    HA   THR   7           HA       THR   7   9.789  -4.521  27.184
   33    HB   THR   7           HB       THR   7   8.873  -3.060  25.466
   34    HG1  THR   7           1HG      THR   7   7.133  -4.287  25.088
   35   HG21  THR   7          1HG2      THR   7   9.507  -5.259  23.444
   36   HG22  THR   7          2HG2      THR   7   8.563  -3.783  23.152
   37   HG23  THR   7          3HG2      THR   7  10.290  -3.664  23.512
   38    H    SER   8           H        SER   8   8.853  -6.572  27.172
   39    HA   SER   8           HA       SER   8  10.560  -8.768  26.162
   40    HB2  SER   8           2HB      SER   8   9.181 -10.176  27.655
   41    HB3  SER   8           3HB      SER   8   9.963  -8.835  28.505
   42    HG   SER   8           HG       SER   8   7.751  -9.069  29.080
   43    H    LEU   9           H        LEU   9   8.013  -7.044  24.932
   44    HA   LEU   9           HA       LEU   9   6.245  -9.016  23.908
   45    HB2  LEU   9           2HB      LEU   9   5.733  -6.616  24.072
   46    HB3  LEU   9           3HB      LEU   9   6.989  -6.245  22.891
   47    HG   LEU   9           HG       LEU   9   5.712  -7.461  21.141
   48   HD11  LEU   9          1HD1      LEU   9   4.433  -9.072  22.504
   49   HD12  LEU   9          2HD1      LEU   9   3.571  -7.734  23.294
   50   HD13  LEU   9          3HD1      LEU   9   3.338  -8.058  21.563
   51   HD21  LEU   9          3HD2      LEU   9   3.907  -5.802  20.924
   52   HD22  LEU   9          1HD2      LEU   9   4.115  -5.335  22.624
   53   HD23  LEU   9          2HD2      LEU   9   5.416  -5.039  21.447
   54    H    SER  10           H        SER  10   6.442 -10.491  22.331
   55    HA   SER  10           HA       SER  10   8.883 -10.614  20.719
   56    HB2  SER  10           2HB      SER  10   8.091 -12.903  20.203
   57    HB3  SER  10           3HB      SER  10   8.185 -12.578  21.940
   58    HG   SER  10           HG       SER  10   6.222 -13.615  21.342
   59    H    ALA  11           H        ALA  11   5.868  -9.327  20.141
   60    HA   ALA  11           HA       ALA  11   5.876  -9.882  17.219
   61    HB1  ALA  11           3HB      ALA  11   3.734  -8.683  19.016
   62    HB2  ALA  11           1HB      ALA  11   3.572  -9.016  17.277
   63    HB3  ALA  11           2HB      ALA  11   3.800 -10.354  18.419
   64    H    ALA  12           H        ALA  12   5.924  -8.283  15.671
   65    HA   ALA  12           HA       ALA  12   7.330  -5.826  16.393
   66    HB1  ALA  12           3HB      ALA  12   7.666  -5.631  13.974
   67    HB2  ALA  12           1HB      ALA  12   8.081  -7.258  14.543
   68    HB3  ALA  12           2HB      ALA  12   6.545  -6.980  13.688
   69    H    ILE  13           H        ILE  13   5.082  -5.391  17.622
   70    HA   ILE  13           HA       ILE  13   2.960  -4.221  16.005
   71    HB   ILE  13           HB       ILE  13   3.433  -3.980  18.994
   72   HG12  ILE  13          2HG1      ILE  13   3.297  -6.333  18.513
   73   HG13  ILE  13          3HG1      ILE  13   1.807  -5.813  19.269
   74   HG21  ILE  13          1HG2      ILE  13   0.958  -3.591  19.068
   75   HG22  ILE  13          2HG2      ILE  13   1.843  -2.312  18.240
   76   HG23  ILE  13          3HG2      ILE  13   0.944  -3.514  17.295
   77   HD11  ILE  13          3HD1      ILE  13   0.672  -5.835  17.040
   78   HD12  ILE  13          1HD1      ILE  13   2.188  -6.399  16.295
   79   HD13  ILE  13          2HD1      ILE  13   1.350  -7.409  17.483
   80    H    HIS  14           H        HIS  14   2.719  -2.206  15.293
   81    HA   HIS  14           HA       HIS  14   4.771  -0.161  15.916
   82    HB2  HIS  14           2HB      HIS  14   4.056   0.873  13.837
   83    HB3  HIS  14           3HB      HIS  14   4.442  -0.826  13.586
   84    HD2  HIS  14           HD2      HIS  14   1.741   1.681  12.960
   85    HE1  HIS  14           HE1      HIS  14  -0.122  -2.097  12.290
   86    HE2  HIS  14           HE2      HIS  14  -0.367   0.420  12.006
   87    H    ARG  15           H        ARG  15   4.211   2.049  16.188
   88    HA   ARG  15           HA       ARG  15   1.460   2.658  17.111
   89    HB2  ARG  15           2HB      ARG  15   2.378   3.732  19.170
   90    HB3  ARG  15           3HB      ARG  15   2.823   2.028  19.108
   91    HG2  ARG  15           2HG      ARG  15   5.071   2.565  18.292
   92    HG3  ARG  15           3HG      ARG  15   4.678   4.264  18.131
   93    HD2  ARG  15           2HD      ARG  15   4.673   2.717  20.762
   94    HD3  ARG  15           3HD      ARG  15   6.022   3.702  20.167
   95    HE   ARG  15           HE       ARG  15   3.761   5.380  20.160
   96   HH11  ARG  15          1HH1      ARG  15   5.677   3.742  22.590
   97   HH12  ARG  15          2HH1      ARG  15   5.304   4.920  23.820
   98   HH21  ARG  15          1HH2      ARG  15   3.313   6.850  21.773
   99   HH22  ARG  15          2HH2      ARG  15   3.999   6.640  23.357
  100    H    THR  16           H        THR  16   3.333   3.435  15.010
  101    HA   THR  16           HA       THR  16   2.535   6.242  14.625
  102    HB   THR  16           HB       THR  16   4.845   6.980  13.982
  103    HG1  THR  16           1HG      THR  16   6.550   5.718  14.876
  104   HG21  THR  16          1HG2      THR  16   5.702   7.439  16.169
  105   HG22  THR  16          2HG2      THR  16   3.937   7.556  16.226
  106   HG23  THR  16          3HG2      THR  16   4.755   6.125  16.888
  107    H    GLN  17           H        GLN  17   3.453   6.976  12.367
  108    HA   GLN  17           HA       GLN  17   2.663   5.075  10.355
  109    HB2  GLN  17           2HB      GLN  17   2.798   6.851   8.863
  110    HB3  GLN  17           3HB      GLN  17   2.332   7.600  10.374
  111    HG2  GLN  17           2HG      GLN  17   4.973   7.766   8.893
  112    HG3  GLN  17           3HG      GLN  17   3.911   9.064   9.401
  113   HE21  GLN  17          2HE2      GLN  17   3.784   9.453  11.865
  114   HE22  GLN  17          1HE2      GLN  17   5.287   9.202  12.734
  115    H    LEU  18           H        LEU  18   5.223   4.456  11.993
  116    HA   LEU  18           HA       LEU  18   7.494   4.748  10.415
  117    HB2  LEU  18           2HB      LEU  18   8.546   3.223  11.968
  118    HB3  LEU  18           3HB      LEU  18   7.533   4.423  12.745
  119    HG   LEU  18           HG       LEU  18   5.772   2.717  13.147
  120   HD11  LEU  18          1HD1      LEU  18   7.744   0.804  11.836
  121   HD12  LEU  18          2HD1      LEU  18   6.455   0.273  12.924
  122   HD13  LEU  18          3HD1      LEU  18   6.034   1.075  11.420
  123   HD21  LEU  18          3HD2      LEU  18   8.539   1.869  14.093
  124   HD22  LEU  18          1HD2      LEU  18   7.544   3.149  14.817
  125   HD23  LEU  18          2HD2      LEU  18   6.992   1.469  14.869
  126    H    TRP  19           H        TRP  19   5.079   2.851   9.257
  127    HA   TRP  19           HA       TRP  19   6.885   0.924   7.865
  128    HB2  TRP  19           2HB      TRP  19   3.857   1.223   7.876
  129    HB3  TRP  19           3HB      TRP  19   4.749  -0.026   7.041
  130    HD1  TRP  19           HD1      TRP  19   2.615   0.085   9.719
  131    HE1  TRP  19           HE1      TRP  19   3.081  -1.643  11.547
  132    HE3  TRP  19           HE3      TRP  19   7.498  -1.060   8.560
  133    HZ2  TRP  19           HZ2      TRP  19   5.264  -3.306  12.400
  134    HZ3  TRP  19           HZ3      TRP  19   8.748  -2.687   9.945
  135    HH2  TRP  19           HH2      TRP  19   7.647  -3.823  11.862
  136    H    PHE  20           H        PHE  20   5.674   4.056   7.399
  137    HA   PHE  20           HA       PHE  20   5.083   3.938   4.575
  138    HB2  PHE  20           2HB      PHE  20   4.074   5.500   6.228
  139    HB3  PHE  20           3HB      PHE  20   5.636   6.250   6.483
  140    HD1  PHE  20           HD1      PHE  20   2.903   5.714   4.005
  141    HD2  PHE  20           HD2      PHE  20   6.476   7.935   4.957
  142    HE1  PHE  20           HE1      PHE  20   2.384   7.332   2.191
  143    HE2  PHE  20           HE2      PHE  20   5.956   9.547   3.138
  144    HZ   PHE  20           HZ       PHE  20   3.905   9.251   1.760
  145    H    HIS  21           H        HIS  21   6.396   4.144   2.882
  146    HA   HIS  21           HA       HIS  21   9.135   5.294   3.082
  147    HB2  HIS  21           2HB      HIS  21   8.949   2.635   3.379
  148    HB3  HIS  21           3HB      HIS  21   8.661   2.652   1.663
  149    HD2  HIS  21           HD2      HIS  21  11.471   2.669   4.087
  150    HE1  HIS  21           HE1      HIS  21  13.240   3.798   0.377
  151    HE2  HIS  21           HE2      HIS  21  13.716   3.043   2.757
  152    H    GLY  22           H        GLY  22   9.877   6.225   0.840
  153    HA2  GLY  22           2HA      GLY  22   8.010   5.601  -1.307
  154    HA3  GLY  22           3HA      GLY  22   8.112   7.286  -0.931
  155    H    ARG  23           H        ARG  23  10.584   4.730  -0.755
  156    HA   ARG  23           HA       ARG  23  11.694   5.542  -3.293
  157    HB2  ARG  23           2HB      ARG  23  12.891   7.130  -2.078
  158    HB3  ARG  23           3HB      ARG  23  12.911   6.175  -0.620
  159    HG2  ARG  23           2HG      ARG  23  15.094   6.650  -1.225
  160    HG3  ARG  23           3HG      ARG  23  14.882   4.937  -1.366
  161    HD2  ARG  23           2HD      ARG  23  14.498   6.326  -3.947
  162    HD3  ARG  23           3HD      ARG  23  16.014   6.749  -3.209
  163    HE   ARG  23           HE       ARG  23  16.725   4.481  -3.260
  164   HH11  ARG  23          1HH1      ARG  23  13.682   4.869  -5.058
  165   HH12  ARG  23          2HH1      ARG  23  13.809   3.202  -5.642
  166   HH21  ARG  23          1HH2      ARG  23  16.779   2.478  -4.217
  167   HH22  ARG  23          2HH2      ARG  23  15.459   1.968  -5.247
  168    H    ILE  24           H        ILE  24  10.325   3.433  -2.910
  169    HA   ILE  24           HA       ILE  24  12.224   1.343  -3.622
  170    HB   ILE  24           HB       ILE  24  12.030   1.189  -1.149
  171   HG12  ILE  24          2HG1      ILE  24  11.181  -1.167  -2.857
  172   HG13  ILE  24          3HG1      ILE  24  12.816  -0.629  -2.509
  173   HG21  ILE  24          1HG2      ILE  24   9.563   1.741  -0.980
  174   HG22  ILE  24          2HG2      ILE  24   9.264   0.040  -1.430
  175   HG23  ILE  24          3HG2      ILE  24  10.180   0.435   0.035
  176   HD11  ILE  24          3HD1      ILE  24  12.329  -2.584  -1.183
  177   HD12  ILE  24          1HD1      ILE  24  12.471  -1.186  -0.094
  178   HD13  ILE  24          2HD1      ILE  24  10.868  -1.847  -0.508
  179    H    SER  25           H        SER  25  11.400   1.742  -5.646
  180    HA   SER  25           HA       SER  25   8.628   1.924  -6.351
  181    HB2  SER  25           2HB      SER  25  10.686   2.768  -7.630
  182    HB3  SER  25           3HB      SER  25  10.898   1.119  -8.202
  183    HG   SER  25           HG       SER  25   8.525   2.751  -8.564
  184    H    ARG  26           H        ARG  26   7.444   0.573  -7.803
  185    HA   ARG  26           HA       ARG  26   6.831  -1.920  -6.852
  186    HB2  ARG  26           2HB      ARG  26   5.358  -2.141  -8.703
  187    HB3  ARG  26           3HB      ARG  26   5.475  -0.430  -8.348
  188    HG2  ARG  26           2HG      ARG  26   6.830  -1.933 -10.642
  189    HG3  ARG  26           3HG      ARG  26   5.398  -0.917 -10.749
  190    HD2  ARG  26           2HD      ARG  26   6.852   1.024  -9.932
  191    HD3  ARG  26           3HD      ARG  26   8.247  -0.037 -10.176
  192    HE   ARG  26           HE       ARG  26   6.615   0.057 -12.563
  193   HH11  ARG  26          2HH1      ARG  26   8.888   2.097 -10.807
  194   HH12  ARG  26          1HH1      ARG  26   9.261   3.018 -12.248
  195   HH21  ARG  26          1HH2      ARG  26   7.191   1.112 -14.275
  196   HH22  ARG  26          2HH2      ARG  26   8.344   2.443 -14.233
  197    H    GLU  27           H        GLU  27   9.394  -1.497  -9.164
  198    HA   GLU  27           HA       GLU  27   9.603  -4.367  -9.803
  199    HB2  GLU  27           2HB      GLU  27  11.515  -2.051 -10.309
  200    HB3  GLU  27           3HB      GLU  27  11.684  -3.690 -10.949
  201    HG2  GLU  27           2HG      GLU  27   9.526  -3.424 -12.168
  202    HG3  GLU  27           3HG      GLU  27   9.411  -1.760 -11.587
  203    H    GLU  28           H        GLU  28  11.370  -2.048  -7.723
  204    HA   GLU  28           HA       GLU  28  13.261  -4.091  -6.799
  205    HB2  GLU  28           2HB      GLU  28  14.261  -2.257  -5.515
  206    HB3  GLU  28           3HB      GLU  28  14.121  -1.931  -7.245
  207    HG2  GLU  28           2HG      GLU  28  12.077  -0.567  -6.802
  208    HG3  GLU  28           3HG      GLU  28  12.309  -0.818  -5.070
  209    H    SER  29           H        SER  29  10.334  -2.590  -5.489
  210    HA   SER  29           HA       SER  29  10.635  -3.591  -2.775
  211    HB2  SER  29           2HB      SER  29   8.125  -3.199  -2.686
  212    HB3  SER  29           3HB      SER  29   9.100  -1.790  -3.096
  213    HG   SER  29           HG       SER  29   8.485  -1.914  -5.163
  214    H    GLN  30           H        GLN  30   9.182  -5.039  -5.710
  215    HA   GLN  30           HA       GLN  30   8.283  -7.324  -4.224
  216    HB2  GLN  30           2HB      GLN  30   7.705  -8.368  -6.318
  217    HB3  GLN  30           3HB      GLN  30   7.154  -6.696  -6.238
  218    HG2  GLN  30           2HG      GLN  30   9.003  -6.009  -7.716
  219    HG3  GLN  30           3HG      GLN  30   9.570  -7.677  -7.795
  220   HE21  GLN  30          1HE2      GLN  30   6.486  -5.761  -8.395
  221   HE22  GLN  30          2HE2      GLN  30   6.133  -6.640  -9.869
  222    H    ARG  31           H        ARG  31  11.458  -6.551  -5.137
  223    HA   ARG  31           HA       ARG  31  12.461  -9.306  -5.120
  224    HB2  ARG  31           2HB      ARG  31  13.541  -7.327  -6.280
  225    HB3  ARG  31           3HB      ARG  31  13.983  -6.700  -4.685
  226    HG2  ARG  31           2HG      ARG  31  15.316  -8.767  -4.256
  227    HG3  ARG  31           3HG      ARG  31  14.823  -9.400  -5.834
  228    HD2  ARG  31           2HD      ARG  31  17.043  -8.492  -6.067
  229    HD3  ARG  31           3HD      ARG  31  15.927  -7.448  -6.933
  230    HE   ARG  31           HE       ARG  31  16.351  -5.710  -5.457
  231   HH11  ARG  31          1HH1      ARG  31  17.840  -8.581  -4.096
  232   HH12  ARG  31          2HH1      ARG  31  18.729  -7.669  -2.909
  233   HH21  ARG  31          1HH2      ARG  31  17.513  -4.609  -3.916
  234   HH22  ARG  31          2HH2      ARG  31  18.544  -5.474  -2.818
  235    H    LEU  32           H        LEU  32  11.859  -6.814  -2.701
  236    HA   LEU  32           HA       LEU  32  13.120  -8.401  -0.530
  237    HB2  LEU  32           2HB      LEU  32  11.975  -5.589  -0.683
  238    HB3  LEU  32           3HB      LEU  32  12.277  -6.397   0.848
  239    HG   LEU  32           HG       LEU  32  14.683  -6.730   0.172
  240   HD11  LEU  32          1HD1      LEU  32  13.928  -4.791  -2.054
  241   HD12  LEU  32          2HD1      LEU  32  15.589  -5.142  -1.531
  242   HD13  LEU  32          3HD1      LEU  32  14.612  -6.424  -2.242
  243   HD21  LEU  32          3HD2      LEU  32  15.302  -4.407   0.711
  244   HD22  LEU  32          1HD2      LEU  32  13.645  -3.873   0.353
  245   HD23  LEU  32          2HD2      LEU  32  13.964  -4.963   1.721
  246    H    ILE  33           H        ILE  33   9.876  -6.881  -0.996
  247    HA   ILE  33           HA       ILE  33   8.654  -8.359   1.214
  248    HB   ILE  33           HB       ILE  33   7.494  -6.707  -1.047
  249   HG12  ILE  33          2HG1      ILE  33   7.604  -5.688   1.788
  250   HG13  ILE  33          3HG1      ILE  33   9.147  -5.774   0.964
  251   HG21  ILE  33          1HG2      ILE  33   5.528  -6.356   0.501
  252   HG22  ILE  33          2HG2      ILE  33   5.641  -7.982  -0.151
  253   HG23  ILE  33          3HG2      ILE  33   6.157  -7.664   1.523
  254   HD11  ILE  33          3HD1      ILE  33   8.310  -4.467  -0.906
  255   HD12  ILE  33          1HD1      ILE  33   6.707  -4.335  -0.141
  256   HD13  ILE  33          2HD1      ILE  33   8.129  -3.580   0.620
  257    H    GLY  34           H        GLY  34   9.341  -9.330  -2.008
  258    HA2  GLY  34           2HA      GLY  34   7.106 -11.245  -2.203
  259    HA3  GLY  34           3HA      GLY  34   8.332 -10.907  -3.416
  260    H    GLN  35           H        GLN  35  10.229 -11.483  -0.843
  261    HA   GLN  35           HA       GLN  35  10.302 -14.449  -1.258
  262    HB2  GLN  35           2HB      GLN  35  12.611 -14.403  -0.549
  263    HB3  GLN  35           3HB      GLN  35  12.337 -13.397  -1.971
  264    HG2  GLN  35           2HG      GLN  35  12.456 -11.363  -0.637
  265    HG3  GLN  35           3HG      GLN  35  12.557 -12.292   0.864
  266   HE21  GLN  35          2HE2      GLN  35  14.532 -10.707   0.942
  267   HE22  GLN  35          1HE2      GLN  35  16.027 -11.372   0.296
  268    H    GLN  36           H        GLN  36   8.525 -12.836   0.458
  269    HA   GLN  36           HA       GLN  36   9.108 -13.577   3.216
  270    HB2  GLN  36           2HB      GLN  36   7.387 -11.460   2.077
  271    HB3  GLN  36           3HB      GLN  36   7.606 -11.891   3.780
  272    HG2  GLN  36           2HG      GLN  36  10.171 -11.651   3.370
  273    HG3  GLN  36           3HG      GLN  36   9.770 -10.954   1.798
  274   HE21  GLN  36          2HE2      GLN  36   8.066 -10.522   4.754
  275   HE22  GLN  36          1HE2      GLN  36   8.347  -8.740   4.889
  276    H    GLY  37           H        GLY  37   7.666 -14.865   4.410
  277    HA2  GLY  37           2HA      GLY  37   5.776 -16.518   2.847
  278    HA3  GLY  37           3HA      GLY  37   6.494 -16.896   4.399
  279    H    LEU  38           H        LEU  38   4.844 -13.800   4.064
  280    HA   LEU  38           HA       LEU  38   2.885 -14.615   6.110
  281    HB2  LEU  38           2HB      LEU  38   3.265 -11.947   4.687
  282    HB3  LEU  38           3HB      LEU  38   2.211 -12.272   6.046
  283    HG   LEU  38           HG       LEU  38   3.980 -11.096   6.927
  284   HD11  LEU  38          1HD1      LEU  38   4.982 -12.561   8.574
  285   HD12  LEU  38          2HD1      LEU  38   3.299 -13.042   8.297
  286   HD13  LEU  38          3HD1      LEU  38   4.628 -13.991   7.587
  287   HD21  LEU  38          3HD2      LEU  38   6.305 -11.493   6.705
  288   HD22  LEU  38          1HD2      LEU  38   6.059 -12.999   5.813
  289   HD23  LEU  38          2HD2      LEU  38   5.609 -11.435   5.076
  290    H    VAL  39           H        VAL  39   0.536 -13.837   5.850
  291    HA   VAL  39           HA       VAL  39  -0.670 -14.913   3.407
  292    HB   VAL  39           HB       VAL  39  -2.787 -14.372   4.392
  293   HG11  VAL  39          1HG1      VAL  39  -2.740 -15.939   6.253
  294   HG12  VAL  39          2HG1      VAL  39  -1.695 -16.514   4.943
  295   HG13  VAL  39          3HG1      VAL  39  -0.978 -15.777   6.393
  296   HG21  VAL  39          3HG2      VAL  39  -2.228 -12.315   5.644
  297   HG22  VAL  39          1HG2      VAL  39  -3.049 -13.514   6.648
  298   HG23  VAL  39          2HG2      VAL  39  -1.301 -13.290   6.814
  299    H    ASP  40           H        ASP  40  -2.112 -13.925   2.110
  300    HA   ASP  40           HA       ASP  40  -1.081 -11.851   0.614
  301    HB2  ASP  40           2HB      ASP  40  -4.048 -12.427   0.667
  302    HB3  ASP  40           3HB      ASP  40  -3.039 -12.035  -0.710
  303    H    GLY  41           H        GLY  41  -2.357 -11.375   3.428
  304    HA2  GLY  41           2HA      GLY  41  -3.485  -8.630   2.900
  305    HA3  GLY  41           3HA      GLY  41  -3.776  -9.642   4.242
  306    H    LEU  42           H        LEU  42  -0.452  -9.924   3.914
  307    HA   LEU  42           HA       LEU  42  -0.097  -7.811   5.968
  308    HB2  LEU  42           2HB      LEU  42   1.253 -10.366   5.231
  309    HB3  LEU  42           3HB      LEU  42   2.334  -9.106   5.770
  310    HG   LEU  42           HG       LEU  42   1.629 -10.632   7.584
  311   HD11  LEU  42          1HD1      LEU  42   0.772  -7.740   7.980
  312   HD12  LEU  42          2HD1      LEU  42   1.160  -8.908   9.257
  313   HD13  LEU  42          3HD1      LEU  42   2.417  -8.394   8.127
  314   HD21  LEU  42          3HD2      LEU  42  -1.116  -9.342   7.343
  315   HD22  LEU  42          1HD2      LEU  42  -0.707 -10.991   6.841
  316   HD23  LEU  42          2HD2      LEU  42  -0.584 -10.531   8.547
  317    H    PHE  43           H        PHE  43  -0.427  -6.123   4.754
  318    HA   PHE  43           HA       PHE  43   1.295  -5.676   2.426
  319    HB2  PHE  43           2HB      PHE  43  -0.508  -4.644   1.564
  320    HB3  PHE  43           3HB      PHE  43  -1.201  -5.759   2.481
  321    HD1  PHE  43           HD2      PHE  43  -0.453  -3.511   5.125
  322    HD2  PHE  43           HD1      PHE  43  -3.110  -4.049   1.776
  323    HE1  PHE  43           HE2      PHE  43  -2.060  -2.011   6.168
  324    HE2  PHE  43           HE1      PHE  43  -4.766  -2.603   2.875
  325    HZ   PHE  43           HZ       PHE  43  -4.248  -1.547   5.069
  326    H    LEU  44           H        LEU  44   1.692  -3.336   1.867
  327    HA   LEU  44           HA       LEU  44   2.641  -1.639   4.129
  328    HB2  LEU  44           2HB      LEU  44   4.460  -3.210   3.002
  329    HB3  LEU  44           3HB      LEU  44   4.351  -2.100   1.662
  330    HG   LEU  44           HG       LEU  44   5.021  -0.206   3.347
  331   HD11  LEU  44          1HD1      LEU  44   6.189  -1.033   5.353
  332   HD12  LEU  44          2HD1      LEU  44   4.502  -1.579   5.405
  333   HD13  LEU  44          3HD1      LEU  44   5.784  -2.708   4.948
  334   HD21  LEU  44          3HD2      LEU  44   6.561  -1.174   1.679
  335   HD22  LEU  44          1HD2      LEU  44   7.385  -0.840   3.211
  336   HD23  LEU  44          2HD2      LEU  44   6.940  -2.509   2.788
  337    H    VAL  45           H        VAL  45   2.273   0.552   3.785
  338    HA   VAL  45           HA       VAL  45   1.246   1.436   1.098
  339    HB   VAL  45           HB       VAL  45   0.999   2.994   3.691
  340   HG11  VAL  45          1HG1      VAL  45  -0.749   4.178   2.410
  341   HG12  VAL  45          2HG1      VAL  45   0.783   4.250   1.532
  342   HG13  VAL  45          3HG1      VAL  45  -0.491   3.121   1.014
  343   HG21  VAL  45          3HG2      VAL  45  -1.362   2.271   3.758
  344   HG22  VAL  45          1HG2      VAL  45  -1.056   1.144   2.425
  345   HG23  VAL  45          2HG2      VAL  45  -0.276   0.900   4.002
  346    H    ARG  46           H        ARG  46   2.882   1.940  -0.075
  347    HA   ARG  46           HA       ARG  46   4.976   3.885   0.733
  348    HB2  ARG  46           2HB      ARG  46   6.695   2.396   0.813
  349    HB3  ARG  46           3HB      ARG  46   5.525   1.148   1.046
  350    HG2  ARG  46           2HG      ARG  46   6.859   1.910  -1.589
  351    HG3  ARG  46           3HG      ARG  46   7.205   0.508  -0.586
  352    HD2  ARG  46           2HD      ARG  46   5.138  -0.518  -1.003
  353    HD3  ARG  46           3HD      ARG  46   4.443   0.919  -1.693
  354    HE   ARG  46           HE       ARG  46   5.337  -1.071  -3.200
  355   HH11  ARG  46          1HH1      ARG  46   6.982   2.075  -3.500
  356   HH12  ARG  46          2HH1      ARG  46   6.458   2.063  -5.184
  357   HH21  ARG  46          1HH2      ARG  46   5.324  -0.998  -5.287
  358   HH22  ARG  46          2HH2      ARG  46   5.795   0.509  -6.104
  359    H    GLU  47           H        GLU  47   6.353   4.447  -1.143
  360    HA   GLU  47           HA       GLU  47   5.130   3.891  -3.731
  361    HB2  GLU  47           2HB      GLU  47   4.807   6.214  -4.414
  362    HB3  GLU  47           3HB      GLU  47   3.726   5.775  -3.120
  363    HG2  GLU  47           2HG      GLU  47   6.262   7.071  -2.205
  364    HG3  GLU  47           3HG      GLU  47   5.240   8.083  -3.198
  365    HE2  GLU  47           2HE      GLU  47   3.186   8.463  -2.552
  366    H    SER  48           H        SER  48   6.621   6.139  -4.896
  367    HA   SER  48           HA       SER  48   9.406   5.486  -4.222
  368    HB2  SER  48           2HB      SER  48   8.577   4.038  -6.105
  369    HB3  SER  48           3HB      SER  48   8.335   5.532  -7.050
  370    HG   SER  48           HG       SER  48  10.516   4.390  -7.100
  371    H    GLN  49           H        GLN  49  10.799   6.986  -5.039
  372    HA   GLN  49           HA       GLN  49   9.802   9.744  -5.454
  373    HB2  GLN  49           2HB      GLN  49  11.804  10.386  -4.478
  374    HB3  GLN  49           3HB      GLN  49  11.540   8.852  -3.665
  375    HG2  GLN  49           2HG      GLN  49  13.526   9.543  -5.867
  376    HG3  GLN  49           3HG      GLN  49  13.839   8.845  -4.281
  377   HE21  GLN  49          2HE2      GLN  49  13.910   7.982  -7.521
  378   HE22  GLN  49          1HE2      GLN  49  13.227   6.358  -7.323
  379    H    ARG  50           H        ARG  50  10.120   7.161  -7.242
  380    HA   ARG  50           HA       ARG  50  11.312   8.177  -9.747
  381    HB2  ARG  50           2HB      ARG  50  11.931   5.946  -8.755
  382    HB3  ARG  50           3HB      ARG  50  10.263   5.419  -9.009
  383    HG2  ARG  50           2HG      ARG  50  10.500   5.665 -11.440
  384    HG3  ARG  50           3HG      ARG  50  12.171   6.246 -11.237
  385    HD2  ARG  50           2HD      ARG  50  12.852   4.130 -10.244
  386    HD3  ARG  50           3HD      ARG  50  11.169   3.576 -10.166
  387    HE   ARG  50           HE       ARG  50  12.133   4.172 -12.879
  388   HH11  ARG  50          1HH1      ARG  50  12.044   1.576 -10.470
  389   HH12  ARG  50          2HH1      ARG  50  11.910   0.366 -11.758
  390   HH21  ARG  50          1HH2      ARG  50  12.095   2.407 -14.372
  391   HH22  ARG  50          2HH2      ARG  50  11.956   0.782 -13.688
  392    H    ASN  51           H        ASN  51   8.134   6.182  -9.230
  393    HA   ASN  51           HA       ASN  51   6.946   7.567 -11.336
  394    HB2  ASN  51           2HB      ASN  51   5.838   5.985  -9.036
  395    HB3  ASN  51           3HB      ASN  51   4.748   6.871 -10.112
  396   HD21  ASN  51          2HD2      ASN  51   7.087   4.285  -9.965
  397   HD22  ASN  51          1HD2      ASN  51   6.875   3.762 -11.624
  398    HA   PRO  52           HA       PRO  52   6.650  11.552  -9.246
  399    HB2  PRO  52           2HB      PRO  52   5.485  13.090 -11.182
  400    HB3  PRO  52           3HB      PRO  52   7.145  12.442 -11.323
  401    HG2  PRO  52           2HG      PRO  52   4.593  11.265 -12.479
  402    HG3  PRO  52           3HG      PRO  52   6.139  11.595 -13.324
  403    HD2  PRO  52           2HD      PRO  52   5.545   9.125 -12.354
  404    HD3  PRO  52           3HD      PRO  52   7.210   9.775 -12.278
  405    H    GLN  53           H        GLN  53   3.895   9.769 -10.193
  406    HA   GLN  53           HA       GLN  53   1.940  11.385  -8.587
  407    HB2  GLN  53           2HB      GLN  53   1.604   9.662 -11.058
  408    HB3  GLN  53           3HB      GLN  53   0.271  10.365 -10.133
  409    HG2  GLN  53           2HG      GLN  53   1.054  12.632 -10.588
  410    HG3  GLN  53           3HG      GLN  53   2.466  12.027 -11.446
  411   HE21  GLN  53          2HE2      GLN  53   0.902  13.818 -12.782
  412   HE22  GLN  53          1HE2      GLN  53   0.007  12.978 -14.041
  413    H    GLY  54           H        GLY  54   3.840   9.313  -7.424
  414    HA2  GLY  54           2HA      GLY  54   2.093   7.013  -7.146
  415    HA3  GLY  54           3HA      GLY  54   3.703   7.036  -6.633
  416    H    PHE  55           H        PHE  55   1.003   6.447  -5.761
  417    HA   PHE  55           HA       PHE  55   1.277   6.625  -2.831
  418    HB2  PHE  55           2HB      PHE  55  -1.306   7.433  -4.247
  419    HB3  PHE  55           3HB      PHE  55  -1.039   7.340  -2.511
  420    HD1  PHE  55           HD1      PHE  55   0.245   9.103  -1.335
  421    HD2  PHE  55           HD2      PHE  55  -0.427   9.289  -5.596
  422    HE1  PHE  55           HE1      PHE  55   0.955  11.483  -1.350
  423    HE2  PHE  55           HE2      PHE  55   0.293  11.665  -5.606
  424    HZ   PHE  55           HZ       PHE  55   0.983  12.765  -3.483
  425    H    VAL  56           H        VAL  56   1.885   4.298  -3.362
  426    HA   VAL  56           HA       VAL  56  -0.240   2.527  -4.336
  427    HB   VAL  56           HB       VAL  56   1.327   1.392  -5.377
  428   HG11  VAL  56          1HG1      VAL  56   3.277   3.372  -4.203
  429   HG12  VAL  56          2HG1      VAL  56   3.787   2.092  -5.274
  430   HG13  VAL  56          3HG1      VAL  56   2.666   3.334  -5.825
  431   HG21  VAL  56          3HG2      VAL  56   3.297   0.344  -4.190
  432   HG22  VAL  56          1HG2      VAL  56   2.717   1.082  -2.715
  433   HG23  VAL  56          2HG2      VAL  56   1.736  -0.117  -3.586
  434    H    LEU  57           H        LEU  57  -0.841   0.680  -3.438
  435    HA   LEU  57           HA       LEU  57  -0.288   0.206  -0.565
  436    HB2  LEU  57           2HB      LEU  57  -2.817   0.574  -1.831
  437    HB3  LEU  57           3HB      LEU  57  -2.661  -1.176  -1.644
  438    HG   LEU  57           HG       LEU  57  -2.447   0.941   0.541
  439   HD11  LEU  57          1HD1      LEU  57  -4.745   0.442  -0.230
  440   HD12  LEU  57          2HD1      LEU  57  -4.470  -1.289   0.070
  441   HD13  LEU  57          3HD1      LEU  57  -4.473  -0.137   1.423
  442   HD21  LEU  57          3HD2      LEU  57  -0.887  -0.880   1.125
  443   HD22  LEU  57          1HD2      LEU  57  -2.327  -0.995   2.105
  444   HD23  LEU  57          2HD2      LEU  57  -2.125  -2.084   0.704
  445    H    SER  58           H        SER  58   0.553  -2.061  -0.189
  446    HA   SER  58           HA       SER  58   1.023  -3.573  -2.727
  447    HB2  SER  58           2HB      SER  58   3.414  -3.769  -2.275
  448    HB3  SER  58           3HB      SER  58   2.901  -2.103  -2.600
  449    HG   SER  58           HG       SER  58   2.808  -1.908  -0.204
  450    H    LEU  59           H        LEU  59   0.573  -5.601  -2.451
  451    HA   LEU  59           HA       LEU  59   0.025  -6.528   0.324
  452    HB2  LEU  59           2HB      LEU  59  -0.825  -7.774  -2.310
  453    HB3  LEU  59           3HB      LEU  59  -1.483  -8.056  -0.706
  454    HG   LEU  59           HG       LEU  59  -1.848  -5.619  -2.487
  455   HD11  LEU  59          1HD1      LEU  59  -4.257  -6.145  -2.018
  456   HD12  LEU  59          2HD1      LEU  59  -3.371  -7.390  -2.891
  457   HD13  LEU  59          3HD1      LEU  59  -3.720  -7.606  -1.148
  458   HD21  LEU  59          3HD2      LEU  59  -1.555  -4.584  -0.352
  459   HD22  LEU  59          1HD2      LEU  59  -3.270  -4.655  -0.647
  460   HD23  LEU  59          2HD2      LEU  59  -2.517  -5.854   0.456
  461    H    CYS  60           H        CYS  60   0.344  -8.983   0.749
  462    HA   CYS  60           HA       CYS  60   3.102  -9.675  -0.308
  463    HB2  CYS  60           2HB      CYS  60   3.412  -8.623   1.886
  464    HB3  CYS  60           3HB      CYS  60   2.378  -9.887   2.606
  465    HG   CYS  60           HG       CYS  60   5.279 -10.196   0.945
  466    H    HIS  61           H        HIS  61   1.624 -10.770  -1.779
  467    HA   HIS  61           HA       HIS  61   0.044 -12.764  -0.528
  468    HB2  HIS  61           2HB      HIS  61  -1.246 -11.850  -2.053
  469    HB3  HIS  61           3HB      HIS  61   0.089 -11.359  -2.993
  470    HD2  HIS  61           HD2      HIS  61  -2.629 -14.001  -2.856
  471    HE1  HIS  61           HE1      HIS  61  -0.553 -14.679  -6.486
  472    HE2  HIS  61           HE2      HIS  61  -2.603 -15.287  -5.132
  473    H    LEU  62           H        LEU  62  -0.083 -14.730  -2.333
  474    HA   LEU  62           HA       LEU  62   2.477 -16.250  -1.894
  475    HB2  LEU  62           2HB      LEU  62   1.167 -18.310  -1.451
  476    HB3  LEU  62           3HB      LEU  62   0.747 -17.045  -0.315
  477    HG   LEU  62           HG       LEU  62  -1.354 -16.605  -1.475
  478   HD11  LEU  62          1HD1      LEU  62  -0.639 -18.815  -3.412
  479   HD12  LEU  62          2HD1      LEU  62  -2.218 -17.995  -3.253
  480   HD13  LEU  62          3HD1      LEU  62  -0.813 -17.080  -3.792
  481   HD21  LEU  62          3HD2      LEU  62  -2.502 -18.681  -0.973
  482   HD22  LEU  62          1HD2      LEU  62  -0.963 -19.576  -1.005
  483   HD23  LEU  62          2HD2      LEU  62  -1.270 -18.354   0.253
  484    H    GLN  63           H        GLN  63   1.592 -14.875  -4.254
  485    HA   GLN  63           HA       GLN  63   3.472 -16.638  -5.314
  486    HB2  GLN  63           2HB      GLN  63   1.008 -16.016  -7.097
  487    HB3  GLN  63           3HB      GLN  63   2.434 -16.852  -7.683
  488    HG2  GLN  63           2HG      GLN  63   1.947 -18.767  -6.198
  489    HG3  GLN  63           3HG      GLN  63   0.478 -17.952  -5.640
  490   HE21  GLN  63          2HE2      GLN  63   0.012 -20.387  -6.640
  491   HE22  GLN  63          1HE2      GLN  63  -0.652 -20.277  -8.265
  492    H    LYS  64           H        LYS  64   1.998 -13.552  -5.397
  493    HA   LYS  64           HA       LYS  64   4.556 -12.514  -6.305
  494    HB2  LYS  64           2HB      LYS  64   3.549 -10.972  -7.987
  495    HB3  LYS  64           3HB      LYS  64   3.339 -12.647  -8.441
  496    HG2  LYS  64           2HG      LYS  64   1.088 -11.410  -6.852
  497    HG3  LYS  64           3HG      LYS  64   1.352 -10.749  -8.463
  498    HD2  LYS  64           2HD      LYS  64   0.954 -13.719  -7.922
  499    HD3  LYS  64           3HD      LYS  64  -0.345 -12.595  -8.351
  500    HE2  LYS  64           2HE      LYS  64   0.812 -12.062 -10.488
  501    HE3  LYS  64           3HE      LYS  64   2.112 -13.187 -10.075
  502    HZ1  LYS  64           3HZ      LYS  64   0.475 -15.003 -10.109
  503    HZ2  LYS  64           1HZ      LYS  64  -0.739 -13.964 -10.476
  504    HZ3  LYS  64           2HZ      LYS  64   0.471 -14.220 -11.539
  505    H    VAL  65           H        VAL  65   4.559 -10.037  -6.136
  506    HA   VAL  65           HA       VAL  65   2.630  -8.978  -4.127
  507    HB   VAL  65           HB       VAL  65   4.303  -7.873  -2.844
  508   HG11  VAL  65          1HG1      VAL  65   5.030 -10.824  -3.089
  509   HG12  VAL  65          2HG1      VAL  65   5.113  -9.804  -1.636
  510   HG13  VAL  65          3HG1      VAL  65   3.545 -10.242  -2.334
  511   HG21  VAL  65          3HG2      VAL  65   6.143  -7.528  -4.290
  512   HG22  VAL  65          1HG2      VAL  65   6.679  -8.503  -2.934
  513   HG23  VAL  65          2HG2      VAL  65   6.400  -9.288  -4.511
  514    H    LYS  66           H        LYS  66   1.486  -7.816  -5.405
  515    HA   LYS  66           HA       LYS  66   2.764  -5.983  -7.395
  516    HB2  LYS  66           2HB      LYS  66   0.433  -5.919  -8.412
  517    HB3  LYS  66           3HB      LYS  66   1.355  -7.404  -8.570
  518    HG2  LYS  66           2HG      LYS  66   0.072  -8.531  -6.886
  519    HG3  LYS  66           3HG      LYS  66  -0.766  -7.053  -6.416
  520    HD2  LYS  66           2HD      LYS  66  -2.052  -8.785  -7.781
  521    HD3  LYS  66           3HD      LYS  66  -2.184  -7.119  -8.299
  522    HE2  LYS  66           2HE      LYS  66  -0.616  -7.476 -10.137
  523    HE3  LYS  66           3HE      LYS  66  -0.281  -9.124  -9.576
  524    HZ1  LYS  66           3HZ      LYS  66  -1.914  -9.083 -11.405
  525    HZ2  LYS  66           1HZ      LYS  66  -2.596  -9.710 -10.062
  526    HZ3  LYS  66           2HZ      LYS  66  -2.974  -8.191 -10.538
  527    H    HIS  67           H        HIS  67   1.736  -3.885  -7.720
  528    HA   HIS  67           HA       HIS  67   1.145  -2.622  -5.062
  529    HB2  HIS  67           2HB      HIS  67   2.641  -1.511  -7.397
  530    HB3  HIS  67           3HB      HIS  67   2.532  -0.793  -5.826
  531    HD2  HIS  67           HD2      HIS  67   4.231  -3.774  -7.627
  532    HE1  HIS  67           HE1      HIS  67   5.799  -3.764  -3.674
  533    HE2  HIS  67           HE2      HIS  67   5.942  -4.859  -5.964
  534    H    TYR  68           H        TYR  68  -0.345  -1.106  -4.903
  535    HA   TYR  68           HA       TYR  68  -2.369  -0.928  -7.071
  536    HB2  TYR  68           2HB      TYR  68  -2.504  -0.484  -4.077
  537    HB3  TYR  68           3HB      TYR  68  -3.818  -0.119  -5.162
  538    HD1  TYR  68           HD1      TYR  68  -1.683  -3.291  -5.144
  539    HD2  TYR  68           HD2      TYR  68  -5.504  -1.426  -4.389
  540    HE1  TYR  68           HE1      TYR  68  -2.734  -5.513  -4.919
  541    HE2  TYR  68           HE2      TYR  68  -6.528  -3.657  -4.088
  542    HH   TYR  68           HH       TYR  68  -6.148  -5.927  -4.022
  543    H    LEU  69           H        LEU  69  -0.579   0.772  -8.015
  544    HA   LEU  69           HA       LEU  69  -1.702   3.444  -7.334
  545    HB2  LEU  69           2HB      LEU  69   0.139   3.387  -6.090
  546    HB3  LEU  69           3HB      LEU  69   1.164   2.697  -7.336
  547    HG   LEU  69           HG       LEU  69   1.516   5.044  -6.687
  548   HD11  LEU  69          1HD1      LEU  69   0.882   5.199  -9.597
  549   HD12  LEU  69          2HD1      LEU  69   2.361   5.628  -8.730
  550   HD13  LEU  69          3HD1      LEU  69   1.973   3.931  -9.026
  551   HD21  LEU  69          3HD2      LEU  69  -1.014   5.546  -6.503
  552   HD22  LEU  69          1HD2      LEU  69  -0.023   6.811  -7.196
  553   HD23  LEU  69          2HD2      LEU  69  -0.972   5.829  -8.246
  554    H    ILE  70           H        ILE  70  -2.353   4.416  -9.358
  555    HA   ILE  70           HA       ILE  70  -0.313   4.354 -11.525
  556    HB   ILE  70           HB       ILE  70  -3.211   3.695 -12.143
  557   HG12  ILE  70          2HG1      ILE  70  -0.589   2.129 -12.256
  558   HG13  ILE  70          3HG1      ILE  70  -2.025   1.766 -11.271
  559   HG21  ILE  70          1HG2      ILE  70  -2.131   5.149 -13.925
  560   HG22  ILE  70          2HG2      ILE  70  -0.818   3.974 -14.036
  561   HG23  ILE  70          3HG2      ILE  70  -2.481   3.548 -14.499
  562   HD11  ILE  70          3HD1      ILE  70  -1.565   1.354 -14.203
  563   HD12  ILE  70          1HD1      ILE  70  -2.093   0.223 -12.914
  564   HD13  ILE  70          2HD1      ILE  70  -3.201   1.456 -13.545
  565    H    LEU  71           H        LEU  71  -2.975   6.085  -9.959
  566    HA   LEU  71           HA       LEU  71  -2.243   8.515 -11.514
  567    HB2  LEU  71           2HB      LEU  71  -5.041   8.046 -10.547
  568    HB3  LEU  71           3HB      LEU  71  -4.541   8.902 -11.979
  569    HG   LEU  71           HG       LEU  71  -4.497   5.839 -11.813
  570   HD11  LEU  71          1HD1      LEU  71  -6.687   6.490 -11.239
  571   HD12  LEU  71          2HD1      LEU  71  -6.797   7.594 -12.634
  572   HD13  LEU  71          3HD1      LEU  71  -6.673   5.834 -12.880
  573   HD21  LEU  71          3HD2      LEU  71  -4.483   5.820 -14.176
  574   HD22  LEU  71          1HD2      LEU  71  -4.892   7.558 -14.275
  575   HD23  LEU  71          2HD2      LEU  71  -3.286   7.057 -13.736
  576    HA   PRO  72           HA       PRO  72  -2.343  10.680  -7.586
  577    HB2  PRO  72           2HB      PRO  72  -2.243  13.238  -8.405
  578    HB3  PRO  72           3HB      PRO  72  -0.996  12.081  -8.930
  579    HG2  PRO  72           2HG      PRO  72  -3.488  12.931 -10.453
  580    HG3  PRO  72           3HG      PRO  72  -1.792  12.940 -11.029
  581    HD2  PRO  72           2HD      PRO  72  -3.560  10.856 -11.467
  582    HD3  PRO  72           3HD      PRO  72  -1.791  10.632 -11.344
  583    H    SER  73           H        SER  73  -3.680  13.121  -7.024
  584    HA   SER  73           HA       SER  73  -6.337  12.315  -6.403
  585    HB2  SER  73           2HB      SER  73  -5.072  15.064  -6.365
  586    HB3  SER  73           3HB      SER  73  -6.665  14.668  -5.687
  587    HG   SER  73           HG       SER  73  -4.950  14.580  -4.134
  588    H    GLU  74           H        GLU  74  -8.369  12.834  -7.271
  589    HA   GLU  74           HA       GLU  74  -8.475  14.565  -9.720
  590    HB2  GLU  74           2HB      GLU  74  -9.869  11.888  -9.310
  591    HB3  GLU  74           3HB      GLU  74 -10.147  12.995 -10.657
  592    HG2  GLU  74           2HG      GLU  74  -7.694  12.788 -11.261
  593    HG3  GLU  74           3HG      GLU  74  -7.567  11.501 -10.059
  594    HE2  GLU  74           2HE      GLU  74  -8.186   9.589 -12.897
  595    H    GLU  75           H        GLU  75 -11.000  14.881 -10.243
  596    HA   GLU  75           HA       GLU  75 -12.205  16.076  -7.803
  597    HB2  GLU  75           2HB      GLU  75 -13.494  17.428  -9.296
  598    HB3  GLU  75           3HB      GLU  75 -11.791  17.499  -9.745
  599    HG2  GLU  75           2HG      GLU  75 -12.222  15.883 -11.602
  600    HG3  GLU  75           3HG      GLU  75 -13.928  15.828 -11.152
  601    H    GLU  76           H        GLU  76 -12.695  13.299  -9.765
  602    HA   GLU  76           HA       GLU  76 -15.445  12.863  -8.689
  603    HB2  GLU  76           2HB      GLU  76 -15.664  11.094 -10.365
  604    HB3  GLU  76           3HB      GLU  76 -15.441  12.689 -11.063
  605    HG2  GLU  76           2HG      GLU  76 -13.315  12.223 -11.883
  606    HG3  GLU  76           3HG      GLU  76 -12.997  10.971 -10.700
  607    H    GLY  77           H        GLY  77 -13.161  12.775  -7.051
  608    HA2  GLY  77           2HA      GLY  77 -13.419  10.637  -5.336
  609    HA3  GLY  77           3HA      GLY  77 -12.236  10.081  -6.533
  610    H    ARG  78           H        ARG  78 -10.720  10.057  -4.783
  611    HA   ARG  78           HA       ARG  78  -9.385  12.719  -4.292
  612    HB2  ARG  78           2HB      ARG  78  -9.495  10.402  -2.333
  613    HB3  ARG  78           3HB      ARG  78  -8.602  11.898  -2.098
  614    HG2  ARG  78           2HG      ARG  78 -11.644  11.743  -2.300
  615    HG3  ARG  78           3HG      ARG  78 -10.735  11.654  -0.803
  616    HD2  ARG  78           2HD      ARG  78 -11.527  13.900  -1.022
  617    HD3  ARG  78           3HD      ARG  78  -9.767  13.902  -1.219
  618    HE   ARG  78           HE       ARG  78 -11.279  13.730  -3.737
  619   HH11  ARG  78          1HH1      ARG  78 -10.150  16.115  -1.445
  620   HH12  ARG  78          2HH1      ARG  78  -9.931  17.327  -2.681
  621   HH21  ARG  78          2HH2      ARG  78 -10.792  15.207  -5.282
  622   HH22  ARG  78          1HH2      ARG  78 -10.361  16.829  -4.813
  623    H    LEU  79           H        LEU  79  -7.414  10.330  -3.117
  624    HA   LEU  79           HA       LEU  79  -5.667  10.335  -5.422
  625    HB2  LEU  79           2HB      LEU  79  -5.875   8.525  -2.978
  626    HB3  LEU  79           3HB      LEU  79  -4.614   8.359  -4.193
  627    HG   LEU  79           HG       LEU  79  -5.054  10.889  -2.538
  628   HD11  LEU  79          1HD1      LEU  79  -3.039  10.155  -1.308
  629   HD12  LEU  79          2HD1      LEU  79  -4.367   9.002  -1.121
  630   HD13  LEU  79          3HD1      LEU  79  -3.030   8.635  -2.228
  631   HD21  LEU  79          3HD2      LEU  79  -2.718  11.397  -3.334
  632   HD22  LEU  79          1HD2      LEU  79  -2.829  10.001  -4.426
  633   HD23  LEU  79          2HD2      LEU  79  -3.908  11.395  -4.632
  634    H    TYR  80           H        TYR  80  -6.333   9.441  -7.387
  635    HA   TYR  80           HA       TYR  80  -8.457   7.497  -7.324
  636    HB2  TYR  80           2HB      TYR  80  -8.075   9.441  -8.888
  637    HB3  TYR  80           3HB      TYR  80  -7.182   8.310  -9.881
  638    HD1  TYR  80           HD2      TYR  80  -8.573   5.976 -10.369
  639    HD2  TYR  80           HD1      TYR  80 -10.349   9.677  -9.024
  640    HE1  TYR  80           HE2      TYR  80 -10.724   5.336 -11.427
  641    HE2  TYR  80           HE1      TYR  80 -12.500   9.000 -10.049
  642    HH   TYR  80           HH       TYR  80 -13.470   7.645 -11.569
  643    H    PHE  81           H        PHE  81  -8.311   5.477  -7.166
  644    HA   PHE  81           HA       PHE  81  -6.800   3.867  -8.695
  645    HB2  PHE  81           2HB      PHE  81  -5.215   2.678  -7.161
  646    HB3  PHE  81           3HB      PHE  81  -4.837   4.374  -7.188
  647    HD1  PHE  81           HD2      PHE  81  -5.643   5.846  -5.215
  648    HD2  PHE  81           HD1      PHE  81  -5.543   1.544  -5.123
  649    HE1  PHE  81           HE2      PHE  81  -5.603   5.900  -2.730
  650    HE2  PHE  81           HE1      PHE  81  -5.444   1.602  -2.637
  651    HZ   PHE  81           HZ       PHE  81  -5.507   3.779  -1.442
  652    H    SER  82           H        SER  82  -6.437   1.558  -8.121
  653    HA   SER  82           HA       SER  82  -8.882   0.417  -7.092
  654    HB2  SER  82           2HB      SER  82  -9.575  -0.625  -9.222
  655    HB3  SER  82           3HB      SER  82  -9.762   1.132  -9.181
  656    HG   SER  82           HG       SER  82  -8.835   0.628 -11.098
  657    H    MET  83           H        MET  83  -7.627  -1.603  -9.307
  658    HA   MET  83           HA       MET  83  -6.016  -3.271  -8.008
  659    HB2  MET  83           2HB      MET  83  -7.883  -3.329  -6.285
  660    HB3  MET  83           3HB      MET  83  -8.942  -4.035  -7.492
  661    HG2  MET  83           2HG      MET  83  -6.350  -5.443  -6.959
  662    HG3  MET  83           3HG      MET  83  -7.518  -5.403  -5.645
  663    HE1  MET  83           3HE      MET  83 -10.487  -7.515  -6.723
  664    HE2  MET  83           1HE      MET  83  -9.542  -6.901  -5.352
  665    HE3  MET  83           2HE      MET  83 -10.309  -5.764  -6.483
  666    H    ASP  84           H        ASP  84  -6.998  -5.767  -9.200
  667    HA   ASP  84           HA       ASP  84  -7.216  -4.976 -12.043
  668    HB2  ASP  84           2HB      ASP  84  -7.123  -7.648 -10.649
  669    HB3  ASP  84           3HB      ASP  84  -7.319  -7.469 -12.393
  670    H    ASP  85           H        ASP  85  -9.380  -5.943  -9.443
  671    HA   ASP  85           HA       ASP  85 -11.701  -5.205 -11.135
  672    HB2  ASP  85           2HB      ASP  85 -11.481  -7.679 -11.140
  673    HB3  ASP  85           3HB      ASP  85 -11.560  -7.687  -9.379
  674    H    GLY  86           H        GLY  86 -10.866  -3.231  -9.698
  675    HA2  GLY  86           2HA      GLY  86 -12.529  -3.120  -7.210
  676    HA3  GLY  86           3HA      GLY  86 -10.822  -2.732  -7.107
  677    H    GLN  87           H        GLN  87 -12.341  -0.913  -6.144
  678    HA   GLN  87           HA       GLN  87 -12.267   1.396  -8.017
  679    HB2  GLN  87           2HB      GLN  87 -14.533   2.102  -7.280
  680    HB3  GLN  87           3HB      GLN  87 -14.536   0.604  -8.193
  681    HG2  GLN  87           2HG      GLN  87 -14.824  -0.725  -6.150
  682    HG3  GLN  87           3HG      GLN  87 -14.695   0.720  -5.145
  683   HE21  GLN  87          2HE2      GLN  87 -16.637  -0.639  -7.889
  684   HE22  GLN  87          1HE2      GLN  87 -18.106   0.205  -7.431
  685    H    THR  88           H        THR  88 -10.248   1.096  -6.222
  686    HA   THR  88           HA       THR  88 -10.991   2.407  -3.780
  687    HB   THR  88           HB       THR  88  -8.698   1.764  -2.927
  688    HG1  THR  88           1HG      THR  88  -7.589   0.361  -4.325
  689   HG21  THR  88          1HG2      THR  88 -10.785   0.269  -2.776
  690   HG22  THR  88          2HG2      THR  88 -10.214  -0.551  -4.236
  691   HG23  THR  88          3HG2      THR  88  -9.224  -0.589  -2.760
  692    H    ARG  89           H        ARG  89 -10.069   3.879  -6.233
  693    HA   ARG  89           HA       ARG  89  -9.067   6.165  -5.930
  694    HB2  ARG  89           2HB      ARG  89 -10.855   7.264  -7.255
  695    HB3  ARG  89           3HB      ARG  89 -10.664   5.588  -7.761
  696    HG2  ARG  89           2HG      ARG  89 -12.623   4.905  -6.492
  697    HG3  ARG  89           3HG      ARG  89 -12.780   6.499  -5.745
  698    HD2  ARG  89           2HD      ARG  89 -13.349   7.517  -7.866
  699    HD3  ARG  89           3HD      ARG  89 -13.021   6.003  -8.729
  700    HE   ARG  89           HE       ARG  89 -14.868   5.003  -7.259
  701   HH11  ARG  89          1HH2      ARG  89 -15.124   8.398  -8.273
  702   HH12  ARG  89          2HH2      ARG  89 -16.856   8.282  -8.346
  703   HH21  ARG  89          1HH1      ARG  89 -17.063   5.024  -7.313
  704   HH22  ARG  89          2HH1      ARG  89 -17.915   6.462  -7.783
  705    H    PHE  90           H        PHE  90 -10.053   5.741  -3.108
  706    HA   PHE  90           HA       PHE  90 -10.754   8.588  -2.545
  707    HB2  PHE  90           2HB      PHE  90 -12.464   6.813  -1.895
  708    HB3  PHE  90           3HB      PHE  90 -11.292   6.207  -0.738
  709    HD1  PHE  90           HD2      PHE  90 -12.924   9.444  -1.804
  710    HD2  PHE  90           HD1      PHE  90 -11.488   7.041   1.484
  711    HE1  PHE  90           HE2      PHE  90 -13.760  11.138  -0.193
  712    HE2  PHE  90           HE1      PHE  90 -12.370   8.715   3.084
  713    HZ   PHE  90           HZ       PHE  90 -13.482  10.777   2.254
  714    H    THR  91           H        THR  91  -9.809   9.069  -0.100
  715    HA   THR  91           HA       THR  91  -6.932   8.916  -0.443
  716    HB   THR  91           HB       THR  91  -7.971  10.814   0.677
  717    HG1  THR  91           1HG      THR  91  -6.419  10.946   2.258
  718   HG21  THR  91          1HG2      THR  91  -8.472   8.922   3.015
  719   HG22  THR  91          2HG2      THR  91  -8.654  10.690   3.036
  720   HG23  THR  91          3HG2      THR  91  -9.723   9.709   2.027
  721    H    ASP  92           H        ASP  92  -5.359   7.838   0.951
  722    HA   ASP  92           HA       ASP  92  -6.119   5.054   1.303
  723    HB2  ASP  92           2HB      ASP  92  -3.799   4.630   1.604
  724    HB3  ASP  92           3HB      ASP  92  -3.989   5.763   0.271
  725    H    LEU  93           H        LEU  93  -5.286   7.684   3.593
  726    HA   LEU  93           HA       LEU  93  -4.950   5.996   5.847
  727    HB2  LEU  93           2HB      LEU  93  -4.081   8.283   5.689
  728    HB3  LEU  93           3HB      LEU  93  -5.719   8.939   5.668
  729    HG   LEU  93           HG       LEU  93  -6.090   8.135   7.984
  730   HD11  LEU  93          1HD1      LEU  93  -4.597   6.188   8.083
  731   HD12  LEU  93          2HD1      LEU  93  -3.177   7.236   7.850
  732   HD13  LEU  93          3HD1      LEU  93  -4.151   7.349   9.333
  733   HD21  LEU  93          3HD2      LEU  93  -4.580   9.718   9.093
  734   HD22  LEU  93          1HD2      LEU  93  -3.537   9.759   7.654
  735   HD23  LEU  93          2HD2      LEU  93  -5.194  10.394   7.575
  736    H    LEU  94           H        LEU  94  -7.868   7.820   4.820
  737    HA   LEU  94           HA       LEU  94  -9.489   6.883   7.018
  738    HB2  LEU  94           2HB      LEU  94 -10.321   7.972   4.297
  739    HB3  LEU  94           3HB      LEU  94 -11.397   7.723   5.668
  740    HG   LEU  94           HG       LEU  94  -9.065   9.687   5.585
  741   HD11  LEU  94          1HD1      LEU  94 -12.077  10.132   5.626
  742   HD12  LEU  94          2HD1      LEU  94 -10.830  11.397   5.663
  743   HD13  LEU  94          3HD1      LEU  94 -11.005  10.376   4.231
  744   HD21  LEU  94          3HD2      LEU  94  -9.341   8.911   7.887
  745   HD22  LEU  94          1HD2      LEU  94  -9.999  10.538   7.736
  746   HD23  LEU  94          2HD2      LEU  94 -11.103   9.147   7.788
  747    H    GLN  95           H        GLN  95  -8.863   5.472   3.748
  748    HA   GLN  95           HA       GLN  95 -10.833   3.424   3.955
  749    HB2  GLN  95           2HB      GLN  95  -8.340   4.049   2.338
  750    HB3  GLN  95           3HB      GLN  95  -9.022   2.453   2.289
  751    HG2  GLN  95           2HG      GLN  95 -11.254   3.424   1.644
  752    HG3  GLN  95           3HG      GLN  95 -10.487   5.017   1.587
  753   HE21  GLN  95          1HE2      GLN  95  -8.620   5.255  -0.005
  754   HE22  GLN  95          2HE2      GLN  95  -8.778   4.332  -1.507
  755    H    LEU  96           H        LEU  96  -7.317   3.549   4.807
  756    HA   LEU  96           HA       LEU  96  -7.084   0.849   5.626
  757    HB2  LEU  96           2HB      LEU  96  -5.252   2.352   5.080
  758    HB3  LEU  96           3HB      LEU  96  -5.556   3.341   6.500
  759    HG   LEU  96           HG       LEU  96  -4.995   0.391   6.892
  760   HD11  LEU  96          1HD1      LEU  96  -2.567   0.825   6.887
  761   HD12  LEU  96          2HD1      LEU  96  -3.274   1.086   5.289
  762   HD13  LEU  96          3HD1      LEU  96  -2.859   2.481   6.308
  763   HD21  LEU  96          3HD2      LEU  96  -3.821   1.211   8.907
  764   HD22  LEU  96          1HD2      LEU  96  -4.131   2.893   8.425
  765   HD23  LEU  96          2HD2      LEU  96  -5.473   1.829   8.887
  766    H    VAL  97           H        VAL  97  -8.262   3.668   7.458
  767    HA   VAL  97           HA       VAL  97  -8.579   2.160   9.950
  768    HB   VAL  97           HB       VAL  97  -9.568   4.903   9.103
  769   HG11  VAL  97          1HG1      VAL  97  -9.972   5.283  11.536
  770   HG12  VAL  97          2HG1      VAL  97 -11.065   4.074  10.868
  771   HG13  VAL  97          3HG1      VAL  97  -9.668   3.562  11.845
  772   HG21  VAL  97          3HG2      VAL  97  -7.326   4.031  10.990
  773   HG22  VAL  97          1HG2      VAL  97  -7.092   4.692   9.361
  774   HG23  VAL  97          2HG2      VAL  97  -7.798   5.705  10.623
  775    H    GLU  98           H        GLU  98 -10.981   3.384   7.507
  776    HA   GLU  98           HA       GLU  98 -13.215   2.126   8.920
  777    HB2  GLU  98           2HB      GLU  98 -13.463   4.165   7.504
  778    HB3  GLU  98           3HB      GLU  98 -12.827   3.298   6.110
  779    HG2  GLU  98           2HG      GLU  98 -15.201   3.551   5.884
  780    HG3  GLU  98           3HG      GLU  98 -14.756   1.856   6.003
  781    H    PHE  99           H        PHE  99 -11.359   0.963   6.075
  782    HA   PHE  99           HA       PHE  99 -13.022  -1.460   6.120
  783    HB2  PHE  99           2HB      PHE  99 -10.735  -0.648   4.324
  784    HB3  PHE  99           3HB      PHE  99 -11.604  -2.166   4.209
  785    HD1  PHE  99           HD2      PHE  99 -13.948  -2.303   3.514
  786    HD2  PHE  99           HD1      PHE  99 -11.893   1.476   3.695
  787    HE1  PHE  99           HE2      PHE  99 -15.790  -1.238   2.232
  788    HE2  PHE  99           HE1      PHE  99 -13.749   2.551   2.441
  789    HZ   PHE  99           HZ       PHE  99 -15.701   1.193   1.704
  790    H    HIS 100           H        HIS 100 -10.746  -0.654   8.316
  791    HA   HIS 100           HA       HIS 100  -8.843  -2.695   8.245
  792    HB2  HIS 100           2HB      HIS 100  -8.198  -2.101  10.370
  793    HB3  HIS 100           3HB      HIS 100  -8.968  -0.637   9.812
  794    HD1  HIS 100           HD1      HIS 100 -11.188   0.104  11.149
  795    HD2  HIS 100           HD2      HIS 100  -9.342  -3.489  12.381
  796    HE1  HIS 100           HE1      HIS 100 -12.280  -0.544  13.409
  797    HE2  HIS 100           HE2      HIS 100 -11.135  -2.733  14.147
  798    H    GLN 101           H        GLN 101 -12.112  -3.017   9.392
  799    HA   GLN 101           HA       GLN 101 -11.630  -5.542  10.810
  800    HB2  GLN 101           2HB      GLN 101 -13.871  -5.419  11.560
  801    HB3  GLN 101           3HB      GLN 101 -13.094  -3.865  11.790
  802    HG2  GLN 101           2HG      GLN 101 -15.179  -4.571   9.687
  803    HG3  GLN 101           3HG      GLN 101 -15.410  -3.570  11.115
  804   HE21  GLN 101          2HE2      GLN 101 -14.584  -1.310  11.066
  805   HE22  GLN 101          1HE2      GLN 101 -14.041  -0.620   9.520
  806    H    LEU 102           H        LEU 102 -13.068  -4.537   7.743
  807    HA   LEU 102           HA       LEU 102 -12.858  -7.309   6.703
  808    HB2  LEU 102           2HB      LEU 102 -15.358  -5.559   6.594
  809    HB3  LEU 102           3HB      LEU 102 -15.092  -6.933   5.530
  810    HG   LEU 102           HG       LEU 102 -15.303  -7.128   8.564
  811   HD11  LEU 102          1HD1      LEU 102 -17.420  -6.446   7.515
  812   HD12  LEU 102          2HD1      LEU 102 -17.311  -7.816   6.384
  813   HD13  LEU 102          3HD1      LEU 102 -17.510  -8.104   8.128
  814   HD21  LEU 102          3HD2      LEU 102 -15.578  -9.561   8.119
  815   HD22  LEU 102          1HD2      LEU 102 -15.249  -9.283   6.396
  816   HD23  LEU 102          2HD2      LEU 102 -13.986  -8.996   7.612
  817    H    ASN 103           H        ASN 103 -11.040  -6.606   5.633
  818    HA   ASN 103           HA       ASN 103 -11.088  -4.257   3.951
  819    HB2  ASN 103           2HB      ASN 103  -8.842  -6.244   3.851
  820    HB3  ASN 103           3HB      ASN 103  -8.826  -4.492   3.735
  821   HD21  ASN 103          2HD2      ASN 103  -7.814  -3.540   5.457
  822   HD22  ASN 103          1HD2      ASN 103  -7.723  -4.290   7.046
  823    H    ARG 104           H        ARG 104  -9.609  -4.825   1.741
  824    HA   ARG 104           HA       ARG 104 -11.595  -6.202  -0.033
  825    HB2  ARG 104           2HB      ARG 104  -9.404  -4.152  -0.595
  826    HB3  ARG 104           3HB      ARG 104 -10.364  -4.941  -1.832
  827    HG2  ARG 104           2HG      ARG 104 -11.268  -2.810  -1.537
  828    HG3  ARG 104           3HG      ARG 104 -12.441  -3.952  -0.892
  829    HD2  ARG 104           2HD      ARG 104 -12.025  -3.289   1.348
  830    HD3  ARG 104           3HD      ARG 104 -10.478  -2.538   0.949
  831    HE   ARG 104           HE       ARG 104 -13.200  -1.439   0.489
  832   HH11  ARG 104          1HH1      ARG 104  -9.737  -0.815   0.196
  833   HH12  ARG 104          2HH1      ARG 104 -10.031   0.857  -0.256
  834   HH21  ARG 104          1HH2      ARG 104 -13.410   0.713  -0.111
  835   HH22  ARG 104          2HH2      ARG 104 -11.966   1.651  -0.439
  836    H    GLY 105           H        GLY 105  -8.540  -6.874   1.250
  837    HA2  GLY 105           2HA      GLY 105  -6.612  -8.022   0.612
  838    HA3  GLY 105           3HA      GLY 105  -7.811  -9.144   0.042
  839    H    ILE 106           H        ILE 106  -5.961  -9.788  -1.213
  840    HA   ILE 106           HA       ILE 106  -5.532  -8.259  -3.722
  841    HB   ILE 106           HB       ILE 106  -3.713  -9.576  -2.539
  842   HG12  ILE 106          2HG1      ILE 106  -4.100 -10.242  -5.487
  843   HG13  ILE 106          3HG1      ILE 106  -3.641  -8.642  -4.895
  844   HG21  ILE 106          1HG2      ILE 106  -5.048 -11.639  -2.133
  845   HG22  ILE 106          2HG2      ILE 106  -4.991 -11.966  -3.880
  846   HG23  ILE 106          3HG2      ILE 106  -3.500 -11.924  -2.943
  847   HD11  ILE 106          3HD1      ILE 106  -2.063 -11.210  -4.673
  848   HD12  ILE 106          1HD1      ILE 106  -1.654  -9.764  -5.590
  849   HD13  ILE 106          2HD1      ILE 106  -1.618  -9.706  -3.817
  850    H    LEU 107           H        LEU 107  -6.044  -9.170  -5.948
  851    HA   LEU 107           HA       LEU 107  -8.457  -9.702  -6.586
  852    HB2  LEU 107           2HB      LEU 107  -5.989 -10.357  -7.837
  853    HB3  LEU 107           3HB      LEU 107  -7.028 -11.750  -8.087
  854    HG   LEU 107           HG       LEU 107  -7.608  -8.924  -8.885
  855   HD11  LEU 107          1HD1      LEU 107  -5.995 -10.115 -10.308
  856   HD12  LEU 107          2HD1      LEU 107  -7.108 -11.493 -10.464
  857   HD13  LEU 107          3HD1      LEU 107  -7.525  -9.928 -11.181
  858   HD21  LEU 107          3HD2      LEU 107  -9.625  -9.855 -10.050
  859   HD22  LEU 107          1HD2      LEU 107  -9.348 -11.411  -9.237
  860   HD23  LEU 107          2HD2      LEU 107  -9.771  -9.962  -8.299
  861    HA   PRO 108           HA       PRO 108  -9.462 -14.091  -5.686
  862    HB2  PRO 108           2HB      PRO 108  -7.695 -16.080  -6.359
  863    HB3  PRO 108           3HB      PRO 108  -8.408 -14.933  -7.522
  864    HG2  PRO 108           2HG      PRO 108  -5.603 -15.118  -6.707
  865    HG3  PRO 108           3HG      PRO 108  -6.355 -14.082  -7.955
  866    HD2  PRO 108           2HD      PRO 108  -5.784 -13.515  -5.083
  867    HD3  PRO 108           3HD      PRO 108  -5.773 -12.386  -6.430
  868    H    CYS 109           H        CYS 109  -6.651 -13.831  -3.506
  869    HA   CYS 109           HA       CYS 109  -7.379 -16.245  -2.009
  870    HB2  CYS 109           2HB      CYS 109  -4.926 -14.441  -2.225
  871    HB3  CYS 109           3HB      CYS 109  -5.069 -15.888  -1.257
  872    HG   CYS 109           HG       CYS 109  -5.685 -15.890  -4.487
  873    H    LEU 110           H        LEU 110  -5.775 -14.809   0.330
  874    HA   LEU 110           HA       LEU 110  -7.993 -14.361   1.991
  875    HB2  LEU 110           2HB      LEU 110  -5.058 -13.659   2.179
  876    HB3  LEU 110           3HB      LEU 110  -6.144 -12.978   3.343
  877    HG   LEU 110           HG       LEU 110  -4.919 -14.993   4.103
  878   HD11  LEU 110          1HD1      LEU 110  -7.012 -14.231   5.189
  879   HD12  LEU 110          2HD1      LEU 110  -7.961 -15.273   4.102
  880   HD13  LEU 110          3HD1      LEU 110  -6.828 -15.989   5.265
  881   HD21  LEU 110          3HD2      LEU 110  -5.675 -17.224   3.478
  882   HD22  LEU 110          1HD2      LEU 110  -6.802 -16.556   2.280
  883   HD23  LEU 110          2HD2      LEU 110  -5.046 -16.382   2.057
  884    H    LEU 111           H        LEU 111  -9.267 -12.735   2.479
  885    HA   LEU 111           HA       LEU 111  -9.082 -10.297   0.895
  886    HB2  LEU 111           2HB      LEU 111 -11.324 -10.022   1.074
  887    HB3  LEU 111           3HB      LEU 111 -11.035 -11.717   0.800
  888    HG   LEU 111           HG       LEU 111 -12.867 -11.477   2.276
  889   HD11  LEU 111          1HD1      LEU 111 -10.548 -12.343   4.051
  890   HD12  LEU 111          2HD1      LEU 111 -12.249 -12.822   4.169
  891   HD13  LEU 111          3HD1      LEU 111 -11.283 -13.346   2.777
  892   HD21  LEU 111          3HD2      LEU 111 -13.025 -10.217   4.219
  893   HD22  LEU 111          1HD2      LEU 111 -11.277 -10.066   4.425
  894   HD23  LEU 111          2HD2      LEU 111 -12.084  -9.160   3.137
  895    H    ARG 112           H        ARG 112  -8.380 -11.003   4.178
  896    HA   ARG 112           HA       ARG 112  -8.965  -8.247   5.104
  897    HB2  ARG 112           2HB      ARG 112  -8.370  -8.976   7.303
  898    HB3  ARG 112           3HB      ARG 112  -9.518 -10.098   6.578
  899    HG2  ARG 112           2HG      ARG 112  -7.627 -11.680   6.087
  900    HG3  ARG 112           3HG      ARG 112  -6.510 -10.551   6.884
  901    HD2  ARG 112           2HD      ARG 112  -7.810 -10.748   8.982
  902    HD3  ARG 112           3HD      ARG 112  -8.943 -11.854   8.174
  903    HE   ARG 112           HE       ARG 112  -6.232 -12.824   7.959
  904   HH11  ARG 112          1HH1      ARG 112  -8.817 -12.601  10.313
  905   HH12  ARG 112          2HH1      ARG 112  -8.260 -13.990  11.206
  906   HH21  ARG 112          1HH2      ARG 112  -5.572 -14.606   9.143
  907   HH22  ARG 112          2HH2      ARG 112  -6.465 -15.087  10.554
  908    H    HIS 113           H        HIS 113  -7.230  -6.996   6.268
  909    HA   HIS 113           HA       HIS 113  -4.473  -7.575   5.345
  910    HB2  HIS 113           2HB      HIS 113  -5.559  -4.746   5.154
  911    HB3  HIS 113           3HB      HIS 113  -3.984  -5.318   4.712
  912    HD2  HIS 113           HD2      HIS 113  -3.685  -6.637   2.413
  913    HE1  HIS 113           HE1      HIS 113  -7.018  -4.704   0.626
  914    HE2  HIS 113           HE2      HIS 113  -4.891  -6.013   0.164
  915    H    CYS 114           H        CYS 114  -2.831  -6.762   6.395
  916    HA   CYS 114           HA       CYS 114  -3.119  -5.297   8.909
  917    HB2  CYS 114           2HB      CYS 114  -1.302  -7.618   9.177
  918    HB3  CYS 114           3HB      CYS 114  -2.464  -6.910  10.293
  919    HG   CYS 114           HG       CYS 114  -4.601  -7.999   9.314
  920    H    CYS 115           H        CYS 115  -0.651  -4.933   9.743
  921    HA   CYS 115           HA       CYS 115   0.727  -3.833   7.322
  922    HB2  CYS 115           2HB      CYS 115   0.964  -3.095  10.255
  923    HB3  CYS 115           3HB      CYS 115   1.879  -2.367   8.926
  924    HG   CYS 115           HG       CYS 115  -1.427  -2.512   9.234
  925    H    THR 116           H        THR 116   2.665  -4.458   6.653
  926    HA   THR 116           HA       THR 116   4.065  -6.628   8.142
  927    HB   THR 116           HB       THR 116   3.030  -6.900   5.815
  928    HG1  THR 116           1HG      THR 116   4.727  -8.332   5.325
  929   HG21  THR 116          1HG2      THR 116   5.742  -5.874   4.871
  930   HG22  THR 116          2HG2      THR 116   4.373  -6.423   3.892
  931   HG23  THR 116          3HG2      THR 116   4.272  -4.894   4.780
  932    H    ARG 117           H        ARG 117   6.348  -6.927   7.420
  933    HA   ARG 117           HA       ARG 117   7.974  -4.422   7.579
  934    HB2  ARG 117           2HB      ARG 117   7.977  -5.590   9.747
  935    HB3  ARG 117           3HB      ARG 117   8.489  -7.089   8.968
  936    HG2  ARG 117           2HG      ARG 117  10.641  -6.100   8.365
  937    HG3  ARG 117           3HG      ARG 117  10.137  -4.514   8.979
  938    HD2  ARG 117           2HD      ARG 117  10.017  -5.372  11.244
  939    HD3  ARG 117           3HD      ARG 117  10.290  -7.035  10.681
  940    HE   ARG 117           HE       ARG 117  12.518  -5.584   9.775
  941   HH11  ARG 117          1HH1      ARG 117  11.191  -6.244  12.970
  942   HH12  ARG 117          2HH1      ARG 117  12.769  -6.239  13.709
  943   HH21  ARG 117          1HH2      ARG 117  14.449  -5.753  10.721
  944   HH22  ARG 117          2HH2      ARG 117  14.586  -5.919  12.461
  945    H    VAL 118           H        VAL 118   9.812  -4.395   6.295
  946    HA   VAL 118           HA       VAL 118   9.814  -6.145   3.933
  947    HB   VAL 118           HB       VAL 118  11.585  -4.713   3.093
  948   HG11  VAL 118          1HG1      VAL 118   9.386  -3.009   4.326
  949   HG12  VAL 118          2HG1      VAL 118  10.354  -2.653   2.883
  950   HG13  VAL 118          3HG1      VAL 118   9.214  -4.007   2.868
  951   HG21  VAL 118          3HG2      VAL 118  12.413  -2.765   4.296
  952   HG22  VAL 118          1HG2      VAL 118  11.468  -3.189   5.734
  953   HG23  VAL 118          2HG2      VAL 118  12.805  -4.229   5.202
  954    H    ALA 119           H        ALA 119  12.252  -6.735   3.167
  955    HA   ALA 119           HA       ALA 119  13.131  -8.814   4.944
  956    HB1  ALA 119           3HB      ALA 119  12.989  -9.038   2.490
  957    HB2  ALA 119           1HB      ALA 119  14.309  -7.852   2.312
  958    HB3  ALA 119           2HB      ALA 119  14.610  -9.412   3.105
  959    H    LEU 120           H        LEU 120  13.483  -6.354   6.260
  960    HA   LEU 120           HA       LEU 120  16.306  -6.428   7.035
  961    HB2  LEU 120           2HB      LEU 120  16.231  -4.671   5.270
  962    HB3  LEU 120           3HB      LEU 120  14.922  -3.865   6.135
  963    HG   LEU 120           HG       LEU 120  16.441  -3.408   8.043
  964   HD11  LEU 120          1HD1      LEU 120  18.058  -5.245   7.805
  965   HD12  LEU 120          2HD1      LEU 120  18.577  -4.615   6.226
  966   HD13  LEU 120          3HD1      LEU 120  18.892  -3.691   7.714
  967   HD21  LEU 120          3HD2      LEU 120  17.491  -2.498   5.332
  968   HD22  LEU 120          1HD2      LEU 120  16.140  -1.769   6.228
  969   HD23  LEU 120          2HD2      LEU 120  17.779  -1.698   6.894
  970    H2   PRO1135           H2       PRO1135   6.466 -11.443 -18.543
  971    H3   PRO1135           H3       PRO1135   7.790 -12.361 -18.190
  972    HA   PRO1135           HA       PRO1135   9.036 -10.526 -17.448
  973    HB2  PRO1135           2HB      PRO1135   6.919  -8.570 -18.350
  974    HB3  PRO1135           3HB      PRO1135   8.697  -8.384 -18.288
  975    HG2  PRO1135           2HG      PRO1135   7.050  -9.297 -20.510
  976    HG3  PRO1135           3HG      PRO1135   8.835  -9.186 -20.480
  977    HD2  PRO1135           2HD      PRO1135   7.501 -11.594 -20.649
  978    HD3  PRO1135           3HD      PRO1135   9.092 -11.396 -19.876
  979    H    GLN1136           H        GLN1136   8.671  -8.970 -15.589
  980    HA   GLN1136           HA       GLN1136   6.824 -10.143 -13.667
  981    HB2  GLN1136           2HB      GLN1136   8.772  -7.805 -13.527
  982    HB3  GLN1136           3HB      GLN1136   7.790  -8.329 -12.171
  983    HG2  GLN1136           2HG      GLN1136   9.899 -10.010 -13.591
  984    HG3  GLN1136           3HG      GLN1136  10.059  -9.235 -12.015
  985   HE21  GLN1136          2HE2      GLN1136   8.176  -9.902 -10.381
  986   HE22  GLN1136          1HE2      GLN1136   7.858 -11.641 -10.372
  987    HA   PRO1137           HA       PRO1137   3.547  -7.092 -14.091
  988    HB2  PRO1137           2HB      PRO1137   2.245  -7.327 -11.715
  989    HB3  PRO1137           3HB      PRO1137   2.228  -8.627 -12.947
  990    HG2  PRO1137           2HG      PRO1137   4.023  -8.402 -10.505
  991    HG3  PRO1137           3HG      PRO1137   3.066  -9.817 -11.046
  992    HD2  PRO1137           2HD      PRO1137   5.725  -9.521 -11.633
  993    HD3  PRO1137           3HD      PRO1137   4.589 -10.307 -12.771
  994    H    GLU1138           H        GLU1138   3.253  -4.937 -13.644
  995    HA   GLU1138           HA       GLU1138   5.071  -3.615 -11.694
  996    HB2  GLU1138           2HB      GLU1138   3.696  -2.741 -14.216
  997    HB3  GLU1138           3HB      GLU1138   4.015  -1.527 -12.972
  998    HG2  GLU1138           2HG      GLU1138   6.315  -1.989 -12.906
  999    HG3  GLU1138           3HG      GLU1138   6.173  -3.365 -14.024
 1000    H    PTR1139           H        PTR1139   2.022  -2.146 -12.571
 1001    HA   PTR1139           HA       PTR1139   1.355  -2.074  -9.772
 1002    HB2  PTR1139           2HB      PTR1139   0.800  -0.122 -11.852
 1003    HB3  PTR1139           3HB      PTR1139   0.122  -0.059 -10.245
 1004    HD1  PTR1139           1HD      PTR1139   1.544   0.431  -8.194
 1005    HD2  PTR1139           2HD      PTR1139   3.259   0.487 -12.179
 1006    HE1  PTR1139           1HE      PTR1139   3.403   1.849  -7.395
 1007    HE2  PTR1139           2HE      PTR1139   4.991   2.122 -11.328
 1008    H    VAL1140           H        VAL1140  -1.281  -1.237 -10.314
 1009    HA   VAL1140           HA       VAL1140  -3.041  -3.209 -11.038
 1010    HB   VAL1140           HB       VAL1140  -3.650  -2.972  -8.076
 1011   HG11  VAL1140          1HG1      VAL1140  -4.599  -5.183  -8.520
 1012   HG12  VAL1140          2HG1      VAL1140  -4.825  -4.242 -10.031
 1013   HG13  VAL1140          3HG1      VAL1140  -3.536  -5.414  -9.923
 1014   HG21  VAL1140          3HG2      VAL1140  -1.549  -5.013  -8.866
 1015   HG22  VAL1140          1HG2      VAL1140  -1.323  -3.685  -7.725
 1016   HG23  VAL1140          2HG2      VAL1140  -2.451  -4.977  -7.345
 1017    H    ASN1141           H        ASN1141  -4.329  -2.294 -11.480
 1018    HA   ASN1141           HA       ASN1141  -6.540  -0.822 -11.239
 1019    HB2  ASN1141           2HB      ASN1141  -4.077   0.731 -11.763
 1020    HB3  ASN1141           3HB      ASN1141  -5.458   1.124 -12.808
 1021   HD21  ASN1141          1HD2      ASN1141  -4.173   1.085  -9.460
 1022   HD22  ASN1141          2HD2      ASN1141  -4.658   2.773  -9.263
 1023    H    GLN1142           H        GLN1142  -3.363  -1.016 -12.923
 1024    HA   GLN1142           HA       GLN1142  -3.926  -3.343 -14.486
 1025    HB2  GLN1142           2HB      GLN1142  -2.169  -0.813 -14.882
 1026    HB3  GLN1142           3HB      GLN1142  -2.065  -2.138 -15.959
 1027    HG2  GLN1142           2HG      GLN1142  -3.141  -0.422 -17.223
 1028    HG3  GLN1142           3HG      GLN1142  -4.328  -1.671 -16.928
 1029   HE21  GLN1142          2HE2      GLN1142  -3.462   1.801 -16.054
 1030   HE22  GLN1142          1HE2      GLN1142  -5.107   2.105 -15.560
 1031    HA   PRO1143           HA       PRO1143   0.292  -3.749 -12.910
 1032    HB2  PRO1143           2HB      PRO1143   1.373  -5.766 -14.450
 1033    HB3  PRO1143           3HB      PRO1143   0.145  -6.114 -13.196
 1034    HG2  PRO1143           2HG      PRO1143  -0.303  -5.708 -16.177
 1035    HG3  PRO1143           3HG      PRO1143  -0.916  -7.030 -15.141
 1036    HD2  PRO1143           2HD      PRO1143  -2.380  -4.761 -15.782
 1037    HD3  PRO1143           3HD      PRO1143  -2.609  -5.675 -14.261
 1038    H    ASP1144           H        ASP1144  -0.231  -1.751 -13.957
 1039    HA   ASP1144           HA       ASP1144  -0.118   0.035 -14.933
 1040    HB2  ASP1144           2HB      ASP1144   2.127   0.078 -14.017
 1041    HB3  ASP1144           3HB      ASP1144   2.797  -0.679 -15.461
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   2.534  -0.824  38.787
    2    H2   GLY   1           H2       GLY   1   3.728  -1.946  38.837
    3    H3   GLY   1           H3       GLY   1   2.376  -2.147  39.738
    4    HA2  GLY   1           2HA      GLY   1   2.301  -3.606  37.830
    5    HA3  GLY   1           3HA      GLY   1   1.004  -2.399  37.786
    6    H    SER   2           H        SER   2   2.263  -3.886  35.576
    7    HA   SER   2           HA       SER   2   2.872  -1.622  33.781
    8    HB2  SER   2           2HB      SER   2   4.849  -2.825  32.839
    9    HB3  SER   2           3HB      SER   2   5.080  -2.276  34.503
   10    HG   SER   2           HG       SER   2   5.800  -4.426  34.183
   11    HA   PRO   3           HA       PRO   3   0.444  -4.057  30.956
   12    HB2  PRO   3           2HB      PRO   3   1.275  -3.208  28.497
   13    HB3  PRO   3           3HB      PRO   3   0.360  -2.165  29.627
   14    HG2  PRO   3           2HG      PRO   3   3.369  -2.283  29.226
   15    HG3  PRO   3           3HG      PRO   3   2.315  -0.833  29.233
   16    HD2  PRO   3           2HD      PRO   3   3.678  -1.600  31.446
   17    HD3  PRO   3           3HD      PRO   3   2.021  -0.941  31.577
   18    H    ALA   4           H        ALA   4   0.505  -5.777  29.384
   19    HA   ALA   4           HA       ALA   4   2.665  -7.645  29.764
   20    HB1  ALA   4           3HB      ALA   4   0.289  -7.714  27.855
   21    HB2  ALA   4           1HB      ALA   4   1.318  -9.093  28.301
   22    HB3  ALA   4           2HB      ALA   4   0.305  -8.317  29.530
   23    H    SER   5           H        SER   5   4.026  -8.616  28.190
   24    HA   SER   5           HA       SER   5   5.187  -6.724  26.286
   25    HB2  SER   5           2HB      SER   5   6.956  -8.441  26.085
   26    HB3  SER   5           3HB      SER   5   6.632  -7.963  27.760
   27    HG   SER   5           HG       SER   5   6.796 -10.243  27.508
   28    H    GLY   6           H        GLY   6   2.738  -9.021  25.926
   29    HA2  GLY   6           2HA      GLY   6   3.386 -10.194  23.386
   30    HA3  GLY   6           3HA      GLY   6   1.797 -10.139  24.137
   31    H    THR   7           H        THR   7   2.079  -9.979  21.420
   32    HA   THR   7           HA       THR   7   2.213  -7.284  20.390
   33    HB   THR   7           HB       THR   7   1.418  -8.355  18.261
   34    HG1  THR   7           1HG      THR   7   1.293 -10.612  18.274
   35   HG21  THR   7          1HG2      THR   7   3.429  -9.684  17.885
   36   HG22  THR   7          2HG2      THR   7   3.832  -8.242  18.830
   37   HG23  THR   7          3HG2      THR   7   3.714  -9.822  19.634
   38    H    SER   8           H        SER   8  -0.366  -8.840  21.986
   39    HA   SER   8           HA       SER   8  -2.556  -7.584  20.603
   40    HB2  SER   8           2HB      SER   8  -2.466  -8.698  23.429
   41    HB3  SER   8           3HB      SER   8  -3.922  -8.371  22.470
   42    HG   SER   8           HG       SER   8  -3.317 -10.574  22.382
   43    H    LEU   9           H        LEU   9  -0.264  -6.148  22.543
   44    HA   LEU   9           HA       LEU   9  -1.907  -4.191  23.932
   45    HB2  LEU   9           2HB      LEU   9   0.344  -4.977  24.704
   46    HB3  LEU   9           3HB      LEU   9   1.072  -4.221  23.289
   47    HG   LEU   9           HG       LEU   9   0.288  -1.984  24.123
   48   HD11  LEU   9          1HD1      LEU   9  -1.607  -2.661  25.552
   49   HD12  LEU   9          2HD1      LEU   9  -0.502  -3.565  26.611
   50   HD13  LEU   9          3HD1      LEU   9  -0.400  -1.794  26.505
   51   HD21  LEU   9          3HD2      LEU   9   1.986  -3.572  26.080
   52   HD22  LEU   9          1HD2      LEU   9   2.564  -2.797  24.589
   53   HD23  LEU   9          2HD2      LEU   9   1.945  -1.802  25.919
   54    H    SER  10           H        SER  10  -2.404  -2.079  23.337
   55    HA   SER  10           HA       SER  10  -2.743  -1.507  20.624
   56    HB2  SER  10           2HB      SER  10  -2.744   0.496  22.914
   57    HB3  SER  10           3HB      SER  10  -3.561   0.678  21.350
   58    HG   SER  10           HG       SER  10  -4.992  -0.049  22.977
   59    H    ALA  11           H        ALA  11   0.101  -1.066  22.335
   60    HA   ALA  11           HA       ALA  11   1.303   1.136  20.919
   61    HB1  ALA  11           3HB      ALA  11   2.039   0.333  23.143
   62    HB2  ALA  11           1HB      ALA  11   2.565  -1.205  22.415
   63    HB3  ALA  11           2HB      ALA  11   3.370   0.314  21.972
   64    H    ALA  12           H        ALA  12   0.576  -2.066  19.817
   65    HA   ALA  12           HA       ALA  12   2.728  -2.319  17.918
   66    HB1  ALA  12           3HB      ALA  12  -0.012  -3.655  18.032
   67    HB2  ALA  12           1HB      ALA  12   1.377  -4.202  17.069
   68    HB3  ALA  12           2HB      ALA  12   1.461  -4.240  18.840
   69    H    ILE  13           H        ILE  13   0.063  -0.294  17.893
   70    HA   ILE  13           HA       ILE  13  -0.238  -0.056  14.961
   71    HB   ILE  13           HB       ILE  13  -1.421   1.639  17.186
   72   HG12  ILE  13          2HG1      ILE  13  -2.277  -0.609  17.454
   73   HG13  ILE  13          3HG1      ILE  13  -3.530   0.432  16.819
   74   HG21  ILE  13          1HG2      ILE  13  -1.452   2.894  15.127
   75   HG22  ILE  13          2HG2      ILE  13  -2.061   1.502  14.208
   76   HG23  ILE  13          3HG2      ILE  13  -3.084   2.303  15.420
   77   HD11  ILE  13          3HD1      ILE  13  -3.602  -1.760  15.749
   78   HD12  ILE  13          1HD1      ILE  13  -3.189  -0.534  14.541
   79   HD13  ILE  13          2HD1      ILE  13  -1.926  -1.604  15.202
   80    H    HIS  14           H        HIS  14   0.494   1.710  13.712
   81    HA   HIS  14           HA       HIS  14   3.051   2.702  14.501
   82    HB2  HIS  14           2HB      HIS  14   3.180   3.685  12.355
   83    HB3  HIS  14           3HB      HIS  14   2.362   2.143  12.169
   84    HD2  HIS  14           HD2      HIS  14   2.221   5.373  10.712
   85    HE1  HIS  14           HE1      HIS  14  -1.934   4.434  10.947
   86    HE2  HIS  14           HE2      HIS  14  -0.208   5.977   9.884
   87    H    ARG  15           H        ARG  15   3.827   4.725  14.919
   88    HA   ARG  15           HA       ARG  15   1.967   7.011  15.190
   89    HB2  ARG  15           2HB      ARG  15   2.889   7.565  17.444
   90    HB3  ARG  15           3HB      ARG  15   2.114   5.982  17.447
   91    HG2  ARG  15           2HG      ARG  15   4.262   4.832  17.305
   92    HG3  ARG  15           3HG      ARG  15   5.131   6.341  17.082
   93    HD2  ARG  15           2HD      ARG  15   3.521   5.624  19.569
   94    HD3  ARG  15           3HD      ARG  15   5.269   5.389  19.399
   95    HE   ARG  15           HE       ARG  15   4.806   8.087  18.785
   96   HH11  ARG  15          1HH1      ARG  15   4.454   6.074  21.630
   97   HH12  ARG  15          2HH1      ARG  15   4.683   7.413  22.726
   98   HH21  ARG  15          1HH2      ARG  15   5.079   9.759  20.232
   99   HH22  ARG  15          2HH2      ARG  15   5.033   9.448  21.943
  100    H    THR  16           H        THR  16   4.239   6.133  13.616
  101    HA   THR  16           HA       THR  16   5.575   8.692  13.084
  102    HB   THR  16           HB       THR  16   7.848   7.745  13.025
  103    HG1  THR  16           1HG      THR  16   8.172   5.730  14.064
  104   HG21  THR  16          1HG2      THR  16   6.730   7.260  15.799
  105   HG22  THR  16          2HG2      THR  16   8.393   7.674  15.346
  106   HG23  THR  16          3HG2      THR  16   7.099   8.866  15.134
  107    H    GLN  17           H        GLN  17   7.195   8.153  11.106
  108    HA   GLN  17           HA       GLN  17   5.624   7.044   8.973
  109    HB2  GLN  17           2HB      GLN  17   7.283   7.858   7.556
  110    HB3  GLN  17           3HB      GLN  17   7.260   8.989   8.893
  111    HG2  GLN  17           2HG      GLN  17   9.361   6.906   8.196
  112    HG3  GLN  17           3HG      GLN  17   9.541   8.647   8.321
  113   HE21  GLN  17          2HE2      GLN  17   9.349   9.600  10.609
  114   HE22  GLN  17          1HE2      GLN  17   9.982   8.593  11.899
  115    H    LEU  18           H        LEU  18   6.733   5.112  11.249
  116    HA   LEU  18           HA       LEU  18   8.587   3.416  10.023
  117    HB2  LEU  18           2HB      LEU  18   8.223   1.921  11.880
  118    HB3  LEU  18           3HB      LEU  18   8.350   3.603  12.357
  119    HG   LEU  18           HG       LEU  18   5.866   3.696  12.688
  120   HD11  LEU  18          1HD1      LEU  18   4.987   1.945  11.303
  121   HD12  LEU  18          2HD1      LEU  18   6.037   0.723  12.064
  122   HD13  LEU  18          3HD1      LEU  18   4.699   1.453  12.967
  123   HD21  LEU  18          3HD2      LEU  18   7.299   1.480  14.210
  124   HD22  LEU  18          1HD2      LEU  18   7.427   3.218  14.550
  125   HD23  LEU  18          2HD2      LEU  18   5.880   2.393  14.770
  126    H    TRP  19           H        TRP  19   5.427   3.566   9.014
  127    HA   TRP  19           HA       TRP  19   5.652   0.931   7.599
  128    HB2  TRP  19           2HB      TRP  19   3.173   2.435   8.490
  129    HB3  TRP  19           3HB      TRP  19   3.137   1.111   7.345
  130    HD1  TRP  19           HD1      TRP  19   5.427  -0.465   9.428
  131    HE1  TRP  19           HE1      TRP  19   4.320  -1.906  11.247
  132    HE3  TRP  19           HE3      TRP  19   0.716   1.573   9.370
  133    HZ2  TRP  19           HZ2      TRP  19   1.778  -2.112  12.553
  134    HZ3  TRP  19           HZ3      TRP  19  -1.029   0.716  10.915
  135    HH2  TRP  19           HH2      TRP  19  -0.514  -1.117  12.512
  136    H    PHE  20           H        PHE  20   6.684   3.782   6.915
  137    HA   PHE  20           HA       PHE  20   5.545   3.902   4.166
  138    HB2  PHE  20           2HB      PHE  20   4.496   5.616   5.540
  139    HB3  PHE  20           3HB      PHE  20   6.068   6.216   6.050
  140    HD1  PHE  20           HD2      PHE  20   3.690   5.979   3.210
  141    HD2  PHE  20           HD1      PHE  20   7.449   7.599   4.568
  142    HE1  PHE  20           HE2      PHE  20   3.789   7.435   1.204
  143    HE2  PHE  20           HE1      PHE  20   7.546   9.054   2.558
  144    HZ   PHE  20           HZ       PHE  20   5.720   8.973   0.871
  145    H    HIS  21           H        HIS  21   6.822   4.270   2.518
  146    HA   HIS  21           HA       HIS  21   9.593   5.246   2.761
  147    HB2  HIS  21           2HB      HIS  21   9.431   2.601   2.871
  148    HB3  HIS  21           3HB      HIS  21   9.040   2.712   1.176
  149    HD2  HIS  21           HD2      HIS  21  11.978   2.650   3.466
  150    HE1  HIS  21           HE1      HIS  21  13.557   3.813  -0.318
  151    HE2  HIS  21           HE2      HIS  21  14.152   3.024   2.024
  152    H    GLY  22           H        GLY  22  10.324   6.258   0.485
  153    HA2  GLY  22           2HA      GLY  22   8.243   5.886  -1.547
  154    HA3  GLY  22           3HA      GLY  22   8.561   7.503  -1.074
  155    H    ARG  23           H        ARG  23  10.970   4.838  -1.231
  156    HA   ARG  23           HA       ARG  23  11.719   5.582  -3.964
  157    HB2  ARG  23           2HB      ARG  23  13.236   7.026  -2.757
  158    HB3  ARG  23           3HB      ARG  23  13.453   5.862  -1.478
  159    HG2  ARG  23           2HG      ARG  23  15.532   6.153  -2.568
  160    HG3  ARG  23           3HG      ARG  23  14.981   4.521  -2.858
  161    HD2  ARG  23           2HD      ARG  23  14.149   5.428  -5.178
  162    HD3  ARG  23           3HD      ARG  23  15.075   6.871  -4.780
  163    HE   ARG  23           HE       ARG  23  17.090   5.733  -5.029
  164   HH11  ARG  23          1HH1      ARG  23  14.544   3.340  -5.300
  165   HH12  ARG  23          2HH1      ARG  23  15.527   2.245  -6.246
  166   HH21  ARG  23          1HH2      ARG  23  18.335   4.220  -6.134
  167   HH22  ARG  23          2HH2      ARG  23  17.607   2.709  -6.617
  168    H    ILE  24           H        ILE  24  10.620   3.324  -2.491
  169    HA   ILE  24           HA       ILE  24  12.401   1.208  -3.641
  170    HB   ILE  24           HB       ILE  24  12.269   1.145  -1.200
  171   HG12  ILE  24          2HG1      ILE  24  11.729  -1.386  -1.141
  172   HG13  ILE  24          3HG1      ILE  24  11.436  -1.221  -2.878
  173   HG21  ILE  24          1HG2      ILE  24  10.400   0.356   0.009
  174   HG22  ILE  24          2HG2      ILE  24   9.834   1.728  -0.955
  175   HG23  ILE  24          3HG2      ILE  24   9.457   0.061  -1.459
  176   HD11  ILE  24          3HD1      ILE  24  13.715  -2.006  -2.413
  177   HD12  ILE  24          1HD1      ILE  24  13.764  -0.420  -3.200
  178   HD13  ILE  24          2HD1      ILE  24  14.039  -0.552  -1.446
  179    H    SER  25           H        SER  25  11.499   2.030  -5.571
  180    HA   SER  25           HA       SER  25   8.941   1.954  -6.556
  181    HB2  SER  25           2HB      SER  25  11.373   0.953  -8.082
  182    HB3  SER  25           3HB      SER  25   9.936   1.760  -8.745
  183    HG   SER  25           HG       SER  25  11.924   3.045  -8.398
  184    H    ARG  26           H        ARG  26   7.674   0.523  -7.680
  185    HA   ARG  26           HA       ARG  26   7.105  -1.901  -6.632
  186    HB2  ARG  26           2HB      ARG  26   5.630  -2.264  -8.507
  187    HB3  ARG  26           3HB      ARG  26   5.621  -0.571  -8.062
  188    HG2  ARG  26           2HG      ARG  26   7.033  -1.788 -10.471
  189    HG3  ARG  26           3HG      ARG  26   5.469  -0.947 -10.435
  190    HD2  ARG  26           2HD      ARG  26   6.575   1.115  -9.730
  191    HD3  ARG  26           3HD      ARG  26   8.157   0.333  -9.850
  192    HE   ARG  26           HE       ARG  26   6.862   0.074 -12.361
  193   HH11  ARG  26          2HH2      ARG  26   7.751   2.885 -10.394
  194   HH12  ARG  26          1HH2      ARG  26   8.550   3.633 -11.750
  195   HH21  ARG  26          1HH1      ARG  26   7.667   1.121 -13.971
  196   HH22  ARG  26          2HH1      ARG  26   8.357   2.739 -13.822
  197    H    GLU  27           H        GLU  27   9.495  -1.655  -9.193
  198    HA   GLU  27           HA       GLU  27   9.707  -4.568  -9.476
  199    HB2  GLU  27           2HB      GLU  27  11.501  -4.119 -11.008
  200    HB3  GLU  27           3HB      GLU  27  10.120  -3.087 -11.368
  201    HG2  GLU  27           2HG      GLU  27  11.269  -1.183 -10.213
  202    HG3  GLU  27           3HG      GLU  27  12.657  -2.226  -9.907
  203    H    GLU  28           H        GLU  28  11.313  -2.138  -7.468
  204    HA   GLU  28           HA       GLU  28  13.401  -4.028  -6.561
  205    HB2  GLU  28           2HB      GLU  28  12.806  -1.163  -5.730
  206    HB3  GLU  28           3HB      GLU  28  14.099  -2.183  -5.088
  207    HG2  GLU  28           2HG      GLU  28  14.895  -2.469  -7.523
  208    HG3  GLU  28           3HG      GLU  28  13.808  -1.135  -7.922
  209    H    SER  29           H        SER  29  10.416  -2.529  -5.218
  210    HA   SER  29           HA       SER  29  10.831  -3.655  -2.608
  211    HB2  SER  29           2HB      SER  29   8.237  -3.274  -2.460
  212    HB3  SER  29           3HB      SER  29   9.377  -1.933  -2.485
  213    HG   SER  29           HG       SER  29   8.664  -1.287  -4.311
  214    H    GLN  30           H        GLN  30   9.230  -5.044  -5.470
  215    HA   GLN  30           HA       GLN  30   8.247  -7.311  -4.008
  216    HB2  GLN  30           2HB      GLN  30   7.809  -8.361  -6.154
  217    HB3  GLN  30           3HB      GLN  30   7.278  -6.679  -6.124
  218    HG2  GLN  30           2HG      GLN  30   9.348  -6.043  -7.385
  219    HG3  GLN  30           3HG      GLN  30   9.826  -7.736  -7.425
  220   HE21  GLN  30          1HE2      GLN  30   6.507  -6.286  -8.033
  221   HE22  GLN  30          2HE2      GLN  30   6.562  -6.691  -9.740
  222    H    ARG  31           H        ARG  31  11.485  -6.623  -5.072
  223    HA   ARG  31           HA       ARG  31  12.436  -9.386  -4.917
  224    HB2  ARG  31           2HB      ARG  31  13.484  -7.506  -6.251
  225    HB3  ARG  31           3HB      ARG  31  14.018  -6.787  -4.726
  226    HG2  ARG  31           2HG      ARG  31  15.364  -8.817  -4.236
  227    HG3  ARG  31           3HG      ARG  31  14.761  -9.574  -5.717
  228    HD2  ARG  31           2HD      ARG  31  16.978  -8.709  -6.153
  229    HD3  ARG  31           3HD      ARG  31  15.809  -7.763  -7.059
  230    HE   ARG  31           HE       ARG  31  16.320  -5.876  -5.815
  231   HH11  ARG  31          1HH1      ARG  31  17.857  -8.587  -4.201
  232   HH12  ARG  31          2HH1      ARG  31  18.799  -7.552  -3.165
  233   HH21  ARG  31          1HH2      ARG  31  17.552  -4.617  -4.465
  234   HH22  ARG  31          2HH2      ARG  31  18.627  -5.360  -3.321
  235    H    LEU  32           H        LEU  32  11.965  -6.775  -2.628
  236    HA   LEU  32           HA       LEU  32  13.391  -8.181  -0.443
  237    HB2  LEU  32           2HB      LEU  32  12.186  -5.426  -0.817
  238    HB3  LEU  32           3HB      LEU  32  12.538  -6.041   0.791
  239    HG   LEU  32           HG       LEU  32  14.902  -6.321   0.266
  240   HD11  LEU  32          1HD1      LEU  32  14.226  -5.093  -2.441
  241   HD12  LEU  32          2HD1      LEU  32  15.864  -5.254  -1.775
  242   HD13  LEU  32          3HD1      LEU  32  14.931  -6.703  -2.142
  243   HD21  LEU  32          3HD2      LEU  32  13.816  -3.559  -0.430
  244   HD22  LEU  32          1HD2      LEU  32  14.052  -4.201   1.210
  245   HD23  LEU  32          2HD2      LEU  32  15.452  -3.923   0.165
  246    H    ILE  33           H        ILE  33  10.049  -6.966  -1.012
  247    HA   ILE  33           HA       ILE  33   9.004  -8.297   1.403
  248    HB   ILE  33           HB       ILE  33   7.801  -6.558  -0.796
  249   HG12  ILE  33          2HG1      ILE  33   7.338  -4.982   1.060
  250   HG13  ILE  33          3HG1      ILE  33   8.098  -6.078   2.203
  251   HG21  ILE  33          1HG2      ILE  33   6.310  -7.750   1.576
  252   HG22  ILE  33          2HG2      ILE  33   5.701  -6.446   0.536
  253   HG23  ILE  33          3HG2      ILE  33   5.975  -8.034  -0.148
  254   HD11  ILE  33          3HD1      ILE  33  10.282  -5.612   1.284
  255   HD12  ILE  33          1HD1      ILE  33   9.568  -4.726  -0.096
  256   HD13  ILE  33          2HD1      ILE  33   9.455  -4.077   1.548
  257    H    GLY  34           H        GLY  34   9.531  -9.400  -1.820
  258    HA2  GLY  34           2HA      GLY  34   7.356 -11.401  -1.701
  259    HA3  GLY  34           3HA      GLY  34   8.465 -11.098  -3.035
  260    H    GLN  35           H        GLN  35  10.245 -11.367  -0.192
  261    HA   GLN  35           HA       GLN  35  11.249 -14.051  -0.780
  262    HB2  GLN  35           2HB      GLN  35  11.783 -12.144   1.540
  263    HB3  GLN  35           3HB      GLN  35  12.701 -13.613   1.182
  264    HG2  GLN  35           2HG      GLN  35  13.398 -12.675  -0.998
  265    HG3  GLN  35           3HG      GLN  35  12.482 -11.200  -0.663
  266   HE21  GLN  35          2HE2      GLN  35  13.118  -9.954   1.354
  267   HE22  GLN  35          1HE2      GLN  35  14.828  -9.993   1.809
  268    H    GLN  36           H        GLN  36   8.544 -12.947   0.868
  269    HA   GLN  36           HA       GLN  36   8.062 -15.494   2.047
  270    HB2  GLN  36           2HB      GLN  36   7.277 -14.394   4.300
  271    HB3  GLN  36           3HB      GLN  36   8.864 -15.057   4.023
  272    HG2  GLN  36           2HG      GLN  36   9.278 -13.095   5.173
  273    HG3  GLN  36           3HG      GLN  36   9.725 -12.704   3.522
  274   HE21  GLN  36          2HE2      GLN  36   7.275 -12.064   2.344
  275   HE22  GLN  36          1HE2      GLN  36   6.784 -10.555   3.097
  276    H    GLY  37           H        GLY  37   6.103 -16.266   2.152
  277    HA2  GLY  37           2HA      GLY  37   4.084 -14.660   0.665
  278    HA3  GLY  37           3HA      GLY  37   4.238 -16.408   0.659
  279    H    LEU  38           H        LEU  38   3.631 -13.730   2.939
  280    HA   LEU  38           HA       LEU  38   1.816 -15.369   4.632
  281    HB2  LEU  38           2HB      LEU  38   2.628 -12.423   4.674
  282    HB3  LEU  38           3HB      LEU  38   1.497 -13.126   5.802
  283    HG   LEU  38           HG       LEU  38   3.518 -12.904   6.926
  284   HD11  LEU  38          1HD1      LEU  38   3.309 -15.858   6.251
  285   HD12  LEU  38          2HD1      LEU  38   3.988 -15.129   7.716
  286   HD13  LEU  38          3HD1      LEU  38   2.252 -14.986   7.389
  287   HD21  LEU  38          3HD2      LEU  38   4.970 -14.640   4.910
  288   HD22  LEU  38          1HD2      LEU  38   5.063 -12.857   4.964
  289   HD23  LEU  38          2HD2      LEU  38   5.637 -13.829   6.334
  290    H    VAL  39           H        VAL  39  -0.380 -13.926   5.236
  291    HA   VAL  39           HA       VAL  39  -2.017 -13.926   2.806
  292    HB   VAL  39           HB       VAL  39  -3.810 -13.037   4.107
  293   HG11  VAL  39          1HG1      VAL  39  -2.417 -15.331   5.545
  294   HG12  VAL  39          2HG1      VAL  39  -4.149 -14.949   5.584
  295   HG13  VAL  39          3HG1      VAL  39  -3.396 -15.468   4.068
  296   HG21  VAL  39          3HG2      VAL  39  -3.700 -12.723   6.523
  297   HG22  VAL  39          1HG2      VAL  39  -1.953 -13.013   6.518
  298   HG23  VAL  39          2HG2      VAL  39  -2.633 -11.581   5.701
  299    H    ASP  40           H        ASP  40  -2.791 -12.397   1.612
  300    HA   ASP  40           HA       ASP  40  -1.109 -10.465   0.634
  301    HB2  ASP  40           2HB      ASP  40  -2.952  -9.680  -0.568
  302    HB3  ASP  40           3HB      ASP  40  -3.322 -11.394  -0.315
  303    H    GLY  41           H        GLY  41  -2.944 -10.150   3.374
  304    HA2  GLY  41           2HA      GLY  41  -3.027  -7.165   3.289
  305    HA3  GLY  41           3HA      GLY  41  -3.889  -8.229   4.285
  306    H    LEU  42           H        LEU  42  -0.522  -8.901   3.972
  307    HA   LEU  42           HA       LEU  42   0.303  -7.401   6.395
  308    HB2  LEU  42           2HB      LEU  42   1.436  -9.847   4.991
  309    HB3  LEU  42           3HB      LEU  42   2.483  -8.835   5.966
  310    HG   LEU  42           HG       LEU  42   1.848 -10.708   7.253
  311   HD11  LEU  42          1HD1      LEU  42   0.227  -8.394   8.365
  312   HD12  LEU  42          2HD1      LEU  42   1.036  -9.693   9.255
  313   HD13  LEU  42          3HD1      LEU  42   2.005  -8.471   8.414
  314   HD21  LEU  42          3HD2      LEU  42  -0.260 -11.296   6.174
  315   HD22  LEU  42          1HD2      LEU  42  -0.432 -11.223   7.936
  316   HD23  LEU  42          2HD2      LEU  42  -1.065  -9.900   6.929
  317    H    PHE  43           H        PHE  43  -0.199  -5.590   5.043
  318    HA   PHE  43           HA       PHE  43   1.537  -5.171   2.679
  319    HB2  PHE  43           2HB      PHE  43  -0.246  -4.044   1.798
  320    HB3  PHE  43           3HB      PHE  43  -1.056  -5.119   2.729
  321    HD1  PHE  43           HD1      PHE  43  -1.555  -4.380   5.326
  322    HD2  PHE  43           HD2      PHE  43  -0.778  -1.649   2.091
  323    HE1  PHE  43           HE1      PHE  43  -2.776  -2.604   6.537
  324    HE2  PHE  43           HE2      PHE  43  -2.107   0.094   3.258
  325    HZ   PHE  43           HZ       PHE  43  -3.092  -0.371   5.486
  326    H    LEU  44           H        LEU  44   2.121  -3.107   2.040
  327    HA   LEU  44           HA       LEU  44   2.997  -1.213   4.187
  328    HB2  LEU  44           2HB      LEU  44   4.846  -2.696   3.305
  329    HB3  LEU  44           3HB      LEU  44   4.543  -2.065   1.705
  330    HG   LEU  44           HG       LEU  44   5.199   0.268   2.635
  331   HD11  LEU  44          1HD1      LEU  44   6.564   0.286   4.645
  332   HD12  LEU  44          2HD1      LEU  44   4.949  -0.318   5.053
  333   HD13  LEU  44          3HD1      LEU  44   6.307  -1.454   4.888
  334   HD21  LEU  44          3HD2      LEU  44   6.678  -1.084   1.218
  335   HD22  LEU  44          1HD2      LEU  44   7.591  -0.235   2.478
  336   HD23  LEU  44          2HD2      LEU  44   7.251  -1.973   2.643
  337    H    VAL  45           H        VAL  45   2.992   0.993   3.603
  338    HA   VAL  45           HA       VAL  45   1.599   1.751   1.035
  339    HB   VAL  45           HB       VAL  45   1.526   3.255   3.688
  340   HG11  VAL  45          1HG1      VAL  45   0.095   3.688   1.014
  341   HG12  VAL  45          2HG1      VAL  45  -0.130   4.648   2.489
  342   HG13  VAL  45          3HG1      VAL  45   1.416   4.696   1.651
  343   HG21  VAL  45          3HG2      VAL  45  -0.635   1.634   2.277
  344   HG22  VAL  45          1HG2      VAL  45   0.146   1.209   3.823
  345   HG23  VAL  45          2HG2      VAL  45  -0.865   2.648   3.719
  346    H    ARG  46           H        ARG  46   3.160   2.211  -0.246
  347    HA   ARG  46           HA       ARG  46   5.291   4.163   0.456
  348    HB2  ARG  46           2HB      ARG  46   7.010   2.692   0.464
  349    HB3  ARG  46           3HB      ARG  46   5.857   1.444   0.768
  350    HG2  ARG  46           2HG      ARG  46   7.076   2.180  -1.917
  351    HG3  ARG  46           3HG      ARG  46   7.432   0.771  -0.926
  352    HD2  ARG  46           2HD      ARG  46   5.353  -0.233  -1.267
  353    HD3  ARG  46           3HD      ARG  46   4.623   1.209  -1.911
  354    HE   ARG  46           HE       ARG  46   5.493  -0.764  -3.461
  355   HH11  ARG  46          1HH1      ARG  46   7.010   2.465  -3.729
  356   HH12  ARG  46          2HH1      ARG  46   6.529   2.499  -5.419
  357   HH21  ARG  46          1HH2      ARG  46   5.347  -0.672  -5.512
  358   HH22  ARG  46          2HH2      ARG  46   5.892   0.774  -6.377
  359    H    GLU  47           H        GLU  47   6.543   4.703  -1.431
  360    HA   GLU  47           HA       GLU  47   5.181   4.248  -3.996
  361    HB2  GLU  47           2HB      GLU  47   4.889   6.653  -4.475
  362    HB3  GLU  47           3HB      GLU  47   3.932   6.136  -3.104
  363    HG2  GLU  47           2HG      GLU  47   6.156   7.069  -1.772
  364    HG3  GLU  47           3HG      GLU  47   6.217   8.058  -3.227
  365    HE2  GLU  47           2HE      GLU  47   4.073  10.182  -1.597
  366    H    SER  48           H        SER  48   6.626   6.119  -5.432
  367    HA   SER  48           HA       SER  48   9.474   5.616  -4.767
  368    HB2  SER  48           2HB      SER  48   8.644   4.218  -6.637
  369    HB3  SER  48           3HB      SER  48   8.185   5.705  -7.511
  370    HG   SER  48           HG       SER  48  10.536   4.513  -7.416
  371    H    GLN  49           H        GLN  49  10.851   7.184  -5.353
  372    HA   GLN  49           HA       GLN  49   9.857   9.909  -5.760
  373    HB2  GLN  49           2HB      GLN  49  12.020  10.567  -4.973
  374    HB3  GLN  49           3HB      GLN  49  11.432   9.254  -3.942
  375    HG2  GLN  49           2HG      GLN  49  13.735   8.890  -4.290
  376    HG3  GLN  49           3HG      GLN  49  12.866   7.645  -5.174
  377   HE21  GLN  49          1HE2      GLN  49  13.480   7.330  -7.353
  378   HE22  GLN  49          2HE2      GLN  49  14.487   8.476  -8.216
  379    H    ARG  50           H        ARG  50  10.183   7.460  -7.736
  380    HA   ARG  50           HA       ARG  50  11.212   8.843 -10.149
  381    HB2  ARG  50           2HB      ARG  50  11.992   6.537  -9.772
  382    HB3  ARG  50           3HB      ARG  50  10.331   5.961  -9.645
  383    HG2  ARG  50           2HG      ARG  50  11.262   5.381 -11.797
  384    HG3  ARG  50           3HG      ARG  50   9.889   6.469 -11.989
  385    HD2  ARG  50           2HD      ARG  50  11.441   8.375 -12.352
  386    HD3  ARG  50           3HD      ARG  50  12.830   7.303 -12.067
  387    HE   ARG  50           HE       ARG  50  11.277   6.178 -14.160
  388   HH11  ARG  50          1HH1      ARG  50  13.280   9.015 -13.698
  389   HH12  ARG  50          2HH1      ARG  50  13.680   9.128 -15.391
  390   HH21  ARG  50          2HH2      ARG  50  11.823   6.377 -16.311
  391   HH22  ARG  50          1HH2      ARG  50  12.872   7.663 -16.828
  392    H    ASN  51           H        ASN  51   8.154   6.807  -9.455
  393    HA   ASN  51           HA       ASN  51   6.658   8.177 -11.365
  394    HB2  ASN  51           2HB      ASN  51   6.033   6.429  -9.047
  395    HB3  ASN  51           3HB      ASN  51   4.741   7.545  -9.487
  396   HD21  ASN  51          2HD2      ASN  51   6.457   4.732 -10.459
  397   HD22  ASN  51          1HD2      ASN  51   5.757   4.606 -12.079
  398    HA   PRO  52           HA       PRO  52   6.563  12.186  -9.232
  399    HB2  PRO  52           2HB      PRO  52   5.260  13.710 -11.080
  400    HB3  PRO  52           3HB      PRO  52   6.918  13.090 -11.338
  401    HG2  PRO  52           2HG      PRO  52   4.310  11.882 -12.332
  402    HG3  PRO  52           3HG      PRO  52   5.793  12.241 -13.276
  403    HD2  PRO  52           2HD      PRO  52   5.287   9.757 -12.275
  404    HD3  PRO  52           3HD      PRO  52   6.949  10.420 -12.334
  405    H    GLN  53           H        GLN  53   3.811  10.327 -10.069
  406    HA   GLN  53           HA       GLN  53   1.931  11.834  -8.288
  407    HB2  GLN  53           2HB      GLN  53   1.471  10.428 -10.938
  408    HB3  GLN  53           3HB      GLN  53   0.184  11.046  -9.893
  409    HG2  GLN  53           2HG      GLN  53   0.956  13.327 -10.121
  410    HG3  GLN  53           3HG      GLN  53   2.380  12.832 -11.027
  411   HE21  GLN  53          1HE2      GLN  53   0.697  14.773 -12.088
  412   HE22  GLN  53          2HE2      GLN  53  -0.107  14.079 -13.489
  413    H    GLY  54           H        GLY  54   3.784   9.598  -7.437
  414    HA2  GLY  54           2HA      GLY  54   1.976   7.314  -7.347
  415    HA3  GLY  54           3HA      GLY  54   3.607   7.261  -6.870
  416    H    PHE  55           H        PHE  55   0.962   6.615  -5.901
  417    HA   PHE  55           HA       PHE  55   1.354   6.719  -2.987
  418    HB2  PHE  55           2HB      PHE  55  -1.320   7.501  -4.241
  419    HB3  PHE  55           3HB      PHE  55  -0.949   7.388  -2.527
  420    HD1  PHE  55           HD2      PHE  55   0.490   9.139  -1.439
  421    HD2  PHE  55           HD1      PHE  55  -0.732   9.429  -5.569
  422    HE1  PHE  55           HE2      PHE  55   1.083  11.554  -1.452
  423    HE2  PHE  55           HE1      PHE  55  -0.121  11.835  -5.583
  424    HZ   PHE  55           HZ       PHE  55   0.782  12.902  -3.520
  425    H    VAL  56           H        VAL  56   1.945   4.396  -3.594
  426    HA   VAL  56           HA       VAL  56  -0.249   2.662  -4.493
  427    HB   VAL  56           HB       VAL  56   1.372   1.504  -5.723
  428   HG11  VAL  56          1HG1      VAL  56   3.341   3.463  -4.411
  429   HG12  VAL  56          2HG1      VAL  56   3.808   2.318  -5.621
  430   HG13  VAL  56          3HG1      VAL  56   2.680   3.600  -6.019
  431   HG21  VAL  56          3HG2      VAL  56   1.848   0.097  -3.732
  432   HG22  VAL  56          1HG2      VAL  56   3.322   0.474  -4.597
  433   HG23  VAL  56          2HG2      VAL  56   2.973   1.356  -3.135
  434    H    LEU  57           H        LEU  57  -1.058   0.994  -3.540
  435    HA   LEU  57           HA       LEU  57  -0.397   0.472  -0.685
  436    HB2  LEU  57           2HB      LEU  57  -2.775   1.028  -1.399
  437    HB3  LEU  57           3HB      LEU  57  -2.815  -0.517  -2.245
  438    HG   LEU  57           HG       LEU  57  -2.305  -0.171   0.737
  439   HD11  LEU  57          1HD1      LEU  57  -4.598   0.482   0.091
  440   HD12  LEU  57          2HD1      LEU  57  -4.816  -1.082  -0.734
  441   HD13  LEU  57          3HD1      LEU  57  -4.588  -1.012   1.032
  442   HD21  LEU  57          3HD2      LEU  57  -2.739  -2.638  -1.003
  443   HD22  LEU  57          1HD2      LEU  57  -1.348  -2.285   0.055
  444   HD23  LEU  57          2HD2      LEU  57  -2.912  -2.641   0.767
  445    H    SER  58           H        SER  58   0.633  -1.636  -0.257
  446    HA   SER  58           HA       SER  58   1.226  -3.236  -2.713
  447    HB2  SER  58           2HB      SER  58   3.608  -3.390  -2.020
  448    HB3  SER  58           3HB      SER  58   3.082  -1.788  -2.574
  449    HG   SER  58           HG       SER  58   2.627  -1.601  -0.102
  450    H    LEU  59           H        LEU  59   0.715  -5.247  -2.396
  451    HA   LEU  59           HA       LEU  59   0.026  -6.138   0.359
  452    HB2  LEU  59           2HB      LEU  59  -0.620  -7.219  -2.420
  453    HB3  LEU  59           3HB      LEU  59  -1.252  -7.884  -0.930
  454    HG   LEU  59           HG       LEU  59  -1.817  -5.093  -2.036
  455   HD11  LEU  59          1HD1      LEU  59  -3.552  -7.558  -1.693
  456   HD12  LEU  59          2HD1      LEU  59  -4.106  -5.976  -2.265
  457   HD13  LEU  59          3HD1      LEU  59  -2.944  -6.898  -3.237
  458   HD21  LEU  59          3HD2      LEU  59  -2.998  -6.423   0.441
  459   HD22  LEU  59          1HD2      LEU  59  -1.890  -5.033   0.444
  460   HD23  LEU  59          2HD2      LEU  59  -3.492  -4.876  -0.271
  461    H    CYS  60           H        CYS  60   0.451  -8.364   1.059
  462    HA   CYS  60           HA       CYS  60   3.181  -9.250   0.066
  463    HB2  CYS  60           2HB      CYS  60   3.413  -7.959   2.168
  464    HB3  CYS  60           3HB      CYS  60   2.292  -9.099   2.953
  465    HG   CYS  60           HG       CYS  60   4.679  -9.605   3.746
  466    H    HIS  61           H        HIS  61   1.533 -10.416  -1.285
  467    HA   HIS  61           HA       HIS  61  -0.171 -12.172   0.214
  468    HB2  HIS  61           2HB      HIS  61  -1.286 -11.043  -1.444
  469    HB3  HIS  61           3HB      HIS  61   0.050 -11.071  -2.472
  470    HD2  HIS  61           HD2      HIS  61  -0.480 -12.417  -4.647
  471    HE1  HIS  61           HE1      HIS  61  -3.355 -15.157  -3.093
  472    HE2  HIS  61           HE2      HIS  61  -2.163 -14.390  -5.199
  473    H    LEU  62           H        LEU  62  -0.562 -14.209  -1.209
  474    HA   LEU  62           HA       LEU  62   1.834 -16.013  -0.890
  475    HB2  LEU  62           2HB      LEU  62   0.260 -17.765   0.023
  476    HB3  LEU  62           3HB      LEU  62   0.335 -16.337   1.030
  477    HG   LEU  62           HG       LEU  62  -1.821 -15.518   0.002
  478   HD11  LEU  62          1HD1      LEU  62  -1.927 -18.337  -1.155
  479   HD12  LEU  62          2HD1      LEU  62  -3.268 -17.168  -1.128
  480   HD13  LEU  62          3HD1      LEU  62  -1.825 -16.832  -2.087
  481   HD21  LEU  62          3HD2      LEU  62  -3.253 -17.010   1.272
  482   HD22  LEU  62          1HD2      LEU  62  -1.953 -18.225   1.366
  483   HD23  LEU  62          2HD2      LEU  62  -1.771 -16.649   2.175
  484    H    GLN  63           H        GLN  63   1.436 -14.747  -3.015
  485    HA   GLN  63           HA       GLN  63   2.272 -16.995  -4.306
  486    HB2  GLN  63           2HB      GLN  63   0.045 -15.356  -5.703
  487    HB3  GLN  63           3HB      GLN  63   0.925 -16.618  -6.555
  488    HG2  GLN  63           2HG      GLN  63  -0.200 -18.337  -5.226
  489    HG3  GLN  63           3HG      GLN  63  -1.042 -17.094  -4.286
  490   HE21  GLN  63          2HE2      GLN  63  -2.479 -19.076  -5.760
  491   HE22  GLN  63          1HE2      GLN  63  -3.339 -18.217  -7.033
  492    H    LYS  64           H        LYS  64   1.541 -13.651  -4.595
  493    HA   LYS  64           HA       LYS  64   4.270 -13.189  -5.372
  494    HB2  LYS  64           2HB      LYS  64   3.620 -11.634  -7.283
  495    HB3  LYS  64           3HB      LYS  64   3.213 -13.303  -7.599
  496    HG2  LYS  64           2HG      LYS  64   1.024 -11.737  -6.261
  497    HG3  LYS  64           3HG      LYS  64   1.492 -11.135  -7.860
  498    HD2  LYS  64           2HD      LYS  64   1.140 -13.296  -8.909
  499    HD3  LYS  64           3HD      LYS  64   0.810 -14.061  -7.356
  500    HE2  LYS  64           2HE      LYS  64  -1.218 -12.586  -7.095
  501    HE3  LYS  64           3HE      LYS  64  -0.878 -11.898  -8.687
  502    HZ1  LYS  64           3HZ      LYS  64  -1.539 -14.777  -8.161
  503    HZ2  LYS  64           1HZ      LYS  64  -2.498 -13.676  -8.897
  504    HZ3  LYS  64           2HZ      LYS  64  -1.128 -14.165  -9.629
  505    H    VAL  65           H        VAL  65   4.453 -10.540  -5.594
  506    HA   VAL  65           HA       VAL  65   2.673  -9.221  -3.595
  507    HB   VAL  65           HB       VAL  65   4.496  -8.051  -2.559
  508   HG11  VAL  65          1HG1      VAL  65   5.382  -9.882  -1.247
  509   HG12  VAL  65          2HG1      VAL  65   3.751 -10.350  -1.744
  510   HG13  VAL  65          3HG1      VAL  65   5.154 -11.031  -2.571
  511   HG21  VAL  65          3HG2      VAL  65   6.140  -7.941  -4.326
  512   HG22  VAL  65          1HG2      VAL  65   6.840  -8.691  -2.883
  513   HG23  VAL  65          2HG2      VAL  65   6.388  -9.705  -4.275
  514    H    LYS  66           H        LYS  66   1.723  -7.497  -4.423
  515    HA   LYS  66           HA       LYS  66   2.866  -6.206  -6.863
  516    HB2  LYS  66           2HB      LYS  66   0.716  -8.065  -6.826
  517    HB3  LYS  66           3HB      LYS  66  -0.070  -6.502  -6.991
  518    HG2  LYS  66           2HG      LYS  66   1.244  -6.001  -8.989
  519    HG3  LYS  66           3HG      LYS  66   2.281  -7.412  -8.722
  520    HD2  LYS  66           2HD      LYS  66   0.457  -8.953  -9.145
  521    HD3  LYS  66           3HD      LYS  66  -0.715  -7.628  -9.258
  522    HE2  LYS  66           2HE      LYS  66   0.501  -6.714 -11.233
  523    HE3  LYS  66           3HE      LYS  66   1.697  -8.011 -11.099
  524    HZ1  LYS  66           3HZ      LYS  66  -1.199  -8.439 -11.674
  525    HZ2  LYS  66           1HZ      LYS  66   0.005  -8.537 -12.772
  526    HZ3  LYS  66           2HZ      LYS  66  -0.074  -9.626 -11.561
  527    H    HIS  67           H        HIS  67   1.632  -4.207  -7.496
  528    HA   HIS  67           HA       HIS  67   1.151  -2.551  -5.040
  529    HB2  HIS  67           2HB      HIS  67   2.654  -1.742  -7.510
  530    HB3  HIS  67           3HB      HIS  67   2.511  -0.831  -6.046
  531    HD2  HIS  67           HD2      HIS  67   4.326  -3.952  -7.452
  532    HE1  HIS  67           HE1      HIS  67   6.056  -3.188  -3.640
  533    HE2  HIS  67           HE2      HIS  67   6.248  -4.564  -5.766
  534    H    TYR  68           H        TYR  68  -0.288  -1.003  -5.082
  535    HA   TYR  68           HA       TYR  68  -2.241  -0.857  -7.353
  536    HB2  TYR  68           2HB      TYR  68  -2.442  -0.453  -4.364
  537    HB3  TYR  68           3HB      TYR  68  -3.749  -0.095  -5.438
  538    HD1  TYR  68           HD2      TYR  68  -2.350  -3.074  -6.788
  539    HD2  TYR  68           HD1      TYR  68  -4.657  -1.589  -3.454
  540    HE1  TYR  68           HE2      TYR  68  -3.373  -5.311  -6.488
  541    HE2  TYR  68           HE1      TYR  68  -5.678  -3.835  -3.166
  542    HH   TYR  68           HH       TYR  68  -5.848  -5.977  -4.014
  543    H    LEU  69           H        LEU  69  -0.526   0.877  -8.314
  544    HA   LEU  69           HA       LEU  69  -1.684   3.516  -7.536
  545    HB2  LEU  69           2HB      LEU  69   0.123   3.557  -6.275
  546    HB3  LEU  69           3HB      LEU  69   1.195   2.910  -7.509
  547    HG   LEU  69           HG       LEU  69   1.493   5.251  -6.873
  548   HD11  LEU  69          1HD1      LEU  69   1.882   4.128  -9.256
  549   HD12  LEU  69          2HD1      LEU  69   0.870   5.501  -9.751
  550   HD13  LEU  69          3HD1      LEU  69   2.377   5.776  -8.868
  551   HD21  LEU  69          3HD2      LEU  69  -0.065   7.013  -7.514
  552   HD22  LEU  69          1HD2      LEU  69  -1.116   5.902  -8.307
  553   HD23  LEU  69          2HD2      LEU  69  -0.936   5.813  -6.562
  554    H    ILE  70           H        ILE  70  -2.178   4.695  -9.505
  555    HA   ILE  70           HA       ILE  70  -0.219   4.550 -11.702
  556    HB   ILE  70           HB       ILE  70  -3.116   3.856 -12.267
  557   HG12  ILE  70          2HG1      ILE  70  -0.376   2.541 -12.542
  558   HG13  ILE  70          3HG1      ILE  70  -1.810   1.957 -11.667
  559   HG21  ILE  70          1HG2      ILE  70  -0.913   4.527 -14.283
  560   HG22  ILE  70          2HG2      ILE  70  -2.549   3.955 -14.672
  561   HG23  ILE  70          3HG2      ILE  70  -2.335   5.539 -13.980
  562   HD11  ILE  70          3HD1      ILE  70  -1.583   0.578 -13.430
  563   HD12  ILE  70          1HD1      ILE  70  -2.834   1.712 -13.997
  564   HD13  ILE  70          2HD1      ILE  70  -1.175   1.883 -14.587
  565    H    LEU  71           H        LEU  71  -2.972   6.303 -10.273
  566    HA   LEU  71           HA       LEU  71  -1.894   8.782 -11.482
  567    HB2  LEU  71           2HB      LEU  71  -4.669   9.106 -11.715
  568    HB3  LEU  71           3HB      LEU  71  -3.517   8.801 -13.002
  569    HG   LEU  71           HG       LEU  71  -4.027   6.302 -12.735
  570   HD11  LEU  71          1HD1      LEU  71  -6.464   7.325 -11.249
  571   HD12  LEU  71          2HD1      LEU  71  -6.085   5.645 -11.677
  572   HD13  LEU  71          3HD1      LEU  71  -5.124   6.478 -10.449
  573   HD21  LEU  71          3HD2      LEU  71  -6.025   6.360 -14.043
  574   HD22  LEU  71          1HD2      LEU  71  -6.337   8.056 -13.572
  575   HD23  LEU  71          2HD2      LEU  71  -4.925   7.639 -14.571
  576    HA   PRO  72           HA       PRO  72  -2.718  10.786  -7.699
  577    HB2  PRO  72           2HB      PRO  72  -2.971  13.391  -8.395
  578    HB3  PRO  72           3HB      PRO  72  -1.476  12.479  -8.748
  579    HG2  PRO  72           2HG      PRO  72  -3.819  13.005 -10.614
  580    HG3  PRO  72           3HG      PRO  72  -2.079  13.302 -10.923
  581    HD2  PRO  72           2HD      PRO  72  -3.360  11.024 -11.729
  582    HD3  PRO  72           3HD      PRO  72  -1.650  11.009 -11.226
  583    H    SER  73           H        SER  73  -4.332  12.645  -6.754
  584    HA   SER  73           HA       SER  73  -6.803  11.311  -6.594
  585    HB2  SER  73           2HB      SER  73  -7.540  13.260  -5.190
  586    HB3  SER  73           3HB      SER  73  -6.018  12.508  -4.688
  587    HG   SER  73           HG       SER  73  -5.899  14.809  -4.738
  588    H    GLU  74           H        GLU  74  -8.917  11.817  -7.085
  589    HA   GLU  74           HA       GLU  74  -9.359  13.649  -9.424
  590    HB2  GLU  74           2HB      GLU  74 -10.472  10.835  -9.140
  591    HB3  GLU  74           3HB      GLU  74 -10.633  11.899 -10.526
  592    HG2  GLU  74           2HG      GLU  74  -8.056  10.581  -9.584
  593    HG3  GLU  74           3HG      GLU  74  -9.036  10.079 -10.942
  594    HE2  GLU  74           2HE      GLU  74  -6.308  11.297 -10.437
  595    H    GLU  75           H        GLU  75 -11.964  13.548  -9.839
  596    HA   GLU  75           HA       GLU  75 -13.272  14.123  -7.217
  597    HB2  GLU  75           2HB      GLU  75 -13.914  14.943 -10.054
  598    HB3  GLU  75           3HB      GLU  75 -15.013  15.225  -8.704
  599    HG2  GLU  75           2HG      GLU  75 -12.139  16.251  -8.768
  600    HG3  GLU  75           3HG      GLU  75 -13.536  17.173  -9.295
  601    H    GLU  76           H        GLU  76 -13.081  11.502  -9.269
  602    HA   GLU  76           HA       GLU  76 -15.771  10.446  -8.510
  603    HB2  GLU  76           2HB      GLU  76 -13.647   9.315 -10.368
  604    HB3  GLU  76           3HB      GLU  76 -15.234   8.613 -10.079
  605    HG2  GLU  76           2HG      GLU  76 -14.651  11.286 -11.409
  606    HG3  GLU  76           3HG      GLU  76 -15.185   9.809 -12.196
  607    H    GLY  77           H        GLY  77 -13.151  10.808  -6.862
  608    HA2  GLY  77           2HA      GLY  77 -13.383   8.763  -4.937
  609    HA3  GLY  77           3HA      GLY  77 -12.055   8.330  -6.031
  610    H    ARG  78           H        ARG  78 -10.710   8.669  -4.087
  611    HA   ARG  78           HA       ARG  78  -9.840  11.548  -3.730
  612    HB2  ARG  78           2HB      ARG  78  -9.658   9.333  -1.664
  613    HB3  ARG  78           3HB      ARG  78  -9.107  10.996  -1.459
  614    HG2  ARG  78           2HG      ARG  78 -12.019  10.171  -1.867
  615    HG3  ARG  78           3HG      ARG  78 -11.255  10.371  -0.315
  616    HD2  ARG  78           2HD      ARG  78 -12.463  12.390  -0.725
  617    HD3  ARG  78           3HD      ARG  78 -10.739  12.773  -0.862
  618    HE   ARG  78           HE       ARG  78 -11.904  12.091  -3.429
  619   HH11  ARG  78          1HH1      ARG  78 -11.911  14.841  -1.260
  620   HH12  ARG  78          2HH1      ARG  78 -12.088  15.967  -2.582
  621   HH21  ARG  78          1HH2      ARG  78 -11.902  13.529  -5.025
  622   HH22  ARG  78          2HH2      ARG  78 -12.219  15.210  -4.720
  623    H    LEU  79           H        LEU  79  -7.546   9.525  -2.320
  624    HA   LEU  79           HA       LEU  79  -5.674   9.837  -4.518
  625    HB2  LEU  79           2HB      LEU  79  -5.702   7.859  -2.188
  626    HB3  LEU  79           3HB      LEU  79  -4.356   8.064  -3.305
  627    HG   LEU  79           HG       LEU  79  -5.403  10.192  -1.390
  628   HD11  LEU  79          1HD1      LEU  79  -3.314   9.803  -0.180
  629   HD12  LEU  79          2HD1      LEU  79  -4.214   8.280  -0.315
  630   HD13  LEU  79          3HD1      LEU  79  -2.817   8.578  -1.368
  631   HD21  LEU  79          3HD2      LEU  79  -3.004  10.223  -3.278
  632   HD22  LEU  79          1HD2      LEU  79  -4.429  11.289  -3.354
  633   HD23  LEU  79          2HD2      LEU  79  -3.309  11.414  -1.998
  634    H    TYR  80           H        TYR  80  -5.985   8.845  -6.535
  635    HA   TYR  80           HA       TYR  80  -7.959   6.762  -6.658
  636    HB2  TYR  80           2HB      TYR  80  -7.664   8.794  -8.131
  637    HB3  TYR  80           3HB      TYR  80  -6.535   7.822  -9.044
  638    HD1  TYR  80           HD2      TYR  80  -7.522   5.397  -9.807
  639    HD2  TYR  80           HD1      TYR  80  -9.943   8.718  -8.486
  640    HE1  TYR  80           HE2      TYR  80  -9.482   4.422 -10.957
  641    HE2  TYR  80           HE1      TYR  80 -11.900   7.759  -9.684
  642    HH   TYR  80           HH       TYR  80 -11.682   4.703 -11.523
  643    H    PHE  81           H        PHE  81  -7.839   4.707  -6.790
  644    HA   PHE  81           HA       PHE  81  -6.121   3.353  -8.318
  645    HB2  PHE  81           2HB      PHE  81  -4.915   1.788  -6.690
  646    HB3  PHE  81           3HB      PHE  81  -4.279   3.397  -6.849
  647    HD1  PHE  81           HD1      PHE  81  -4.800   5.175  -5.042
  648    HD2  PHE  81           HD2      PHE  81  -5.479   0.958  -4.522
  649    HE1  PHE  81           HE1      PHE  81  -4.811   5.478  -2.583
  650    HE2  PHE  81           HE2      PHE  81  -5.466   1.259  -2.060
  651    HZ   PHE  81           HZ       PHE  81  -5.140   3.525  -1.086
  652    H    SER  82           H        SER  82  -5.907   1.052  -8.339
  653    HA   SER  82           HA       SER  82  -8.333  -0.279  -7.517
  654    HB2  SER  82           2HB      SER  82  -9.184  -0.817  -9.728
  655    HB3  SER  82           3HB      SER  82  -9.191   0.926  -9.445
  656    HG   SER  82           HG       SER  82  -8.383   0.513 -11.472
  657    H    MET  83           H        MET  83  -7.128  -1.820 -10.090
  658    HA   MET  83           HA       MET  83  -5.705  -3.787  -9.318
  659    HB2  MET  83           2HB      MET  83  -8.617  -4.550  -8.764
  660    HB3  MET  83           3HB      MET  83  -7.269  -5.674  -8.819
  661    HG2  MET  83           2HG      MET  83  -6.259  -4.665  -6.901
  662    HG3  MET  83           3HG      MET  83  -7.594  -3.495  -6.771
  663    HE1  MET  83           3HE      MET  83  -9.151  -5.363  -3.917
  664    HE2  MET  83           1HE      MET  83  -7.679  -4.409  -4.196
  665    HE3  MET  83           2HE      MET  83  -9.227  -3.871  -4.886
  666    H    ASP  84           H        ASP  84  -6.637  -5.920 -10.754
  667    HA   ASP  84           HA       ASP  84  -7.265  -4.910 -13.402
  668    HB2  ASP  84           2HB      ASP  84  -5.990  -7.005 -13.023
  669    HB3  ASP  84           3HB      ASP  84  -7.456  -7.773 -12.403
  670    H    ASP  85           H        ASP  85  -9.236  -6.176 -10.699
  671    HA   ASP  85           HA       ASP  85 -11.649  -5.023 -11.982
  672    HB2  ASP  85           2HB      ASP  85 -11.625  -7.446 -12.492
  673    HB3  ASP  85           3HB      ASP  85 -11.514  -7.812 -10.770
  674    H    GLY  86           H        GLY  86 -10.641  -3.381 -10.350
  675    HA2  GLY  86           2HA      GLY  86 -11.973  -3.703  -7.688
  676    HA3  GLY  86           3HA      GLY  86 -10.258  -3.342  -7.738
  677    H    GLN  87           H        GLN  87 -11.672  -1.739  -6.296
  678    HA   GLN  87           HA       GLN  87 -11.793   0.866  -7.739
  679    HB2  GLN  87           2HB      GLN  87 -13.958   1.390  -6.646
  680    HB3  GLN  87           3HB      GLN  87 -14.070   0.061  -7.785
  681    HG2  GLN  87           2HG      GLN  87 -14.163  -1.588  -6.001
  682    HG3  GLN  87           3HG      GLN  87 -13.805  -0.375  -4.772
  683   HE21  GLN  87          2HE2      GLN  87 -16.212  -1.056  -7.410
  684   HE22  GLN  87          1HE2      GLN  87 -17.547  -0.319  -6.543
  685    H    THR  88           H        THR  88  -9.585   0.244  -6.206
  686    HA   THR  88           HA       THR  88 -10.093   1.130  -3.536
  687    HB   THR  88           HB       THR  88  -7.559   0.557  -3.204
  688    HG1  THR  88           1HG      THR  88  -6.968  -0.945  -4.884
  689   HG21  THR  88          1HG2      THR  88  -9.358  -0.866  -2.376
  690   HG22  THR  88          2HG2      THR  88  -9.679  -1.498  -4.007
  691   HG23  THR  88          3HG2      THR  88  -8.143  -1.879  -3.174
  692    H    ARG  89           H        ARG  89  -9.350   2.916  -5.858
  693    HA   ARG  89           HA       ARG  89  -8.434   5.243  -5.249
  694    HB2  ARG  89           2HB      ARG  89 -10.207   6.305  -6.644
  695    HB3  ARG  89           3HB      ARG  89  -9.832   4.702  -7.262
  696    HG2  ARG  89           2HG      ARG  89 -11.838   3.779  -6.111
  697    HG3  ARG  89           3HG      ARG  89 -12.223   5.381  -5.473
  698    HD2  ARG  89           2HD      ARG  89 -12.453   6.236  -7.783
  699    HD3  ARG  89           3HD      ARG  89 -12.089   4.604  -8.405
  700    HE   ARG  89           HE       ARG  89 -14.284   4.555  -6.533
  701   HH11  ARG  89          1HH2      ARG  89 -13.628   5.431  -9.878
  702   HH12  ARG  89          2HH2      ARG  89 -15.301   5.260 -10.336
  703   HH21  ARG  89          1HH1      ARG  89 -16.398   4.345  -7.208
  704   HH22  ARG  89          2HH1      ARG  89 -16.819   4.653  -8.864
  705    H    PHE  90           H        PHE  90  -9.097   4.698  -2.545
  706    HA   PHE  90           HA       PHE  90 -10.519   7.225  -1.818
  707    HB2  PHE  90           2HB      PHE  90 -10.763   4.530  -0.443
  708    HB3  PHE  90           3HB      PHE  90 -11.441   6.041   0.150
  709    HD1  PHE  90           HD2      PHE  90 -13.191   7.268  -1.243
  710    HD2  PHE  90           HD1      PHE  90 -11.913   3.243  -2.139
  711    HE1  PHE  90           HE2      PHE  90 -15.209   6.937  -2.653
  712    HE2  PHE  90           HE1      PHE  90 -13.936   2.916  -3.539
  713    HZ   PHE  90           HZ       PHE  90 -15.588   4.762  -3.797
  714    H    THR  91           H        THR  91  -9.894   8.103   0.327
  715    HA   THR  91           HA       THR  91  -7.137   8.554   0.432
  716    HB   THR  91           HB       THR  91  -9.113   8.905   2.717
  717    HG1  THR  91           1HG      THR  91  -9.338  10.975   1.774
  718   HG21  THR  91          1HG2      THR  91  -7.696  10.875   3.293
  719   HG22  THR  91          2HG2      THR  91  -6.796   9.368   3.453
  720   HG23  THR  91          3HG2      THR  91  -6.539  10.403   2.027
  721    H    ASP  92           H        ASP  92  -5.389   7.721   1.568
  722    HA   ASP  92           HA       ASP  92  -5.544   4.972   2.302
  723    HB2  ASP  92           2HB      ASP  92  -3.573   6.012   1.292
  724    HB3  ASP  92           3HB      ASP  92  -3.339   7.016   2.730
  725    H    LEU  93           H        LEU  93  -5.267   7.931   4.330
  726    HA   LEU  93           HA       LEU  93  -4.943   6.600   6.767
  727    HB2  LEU  93           2HB      LEU  93  -4.595   9.018   6.434
  728    HB3  LEU  93           3HB      LEU  93  -6.327   9.254   6.193
  729    HG   LEU  93           HG       LEU  93  -6.757   8.568   8.546
  730   HD11  LEU  93          1HD1      LEU  93  -3.714   8.453   8.770
  731   HD12  LEU  93          2HD1      LEU  93  -4.853   8.411  10.135
  732   HD13  LEU  93          3HD1      LEU  93  -4.836   7.086   8.970
  733   HD21  LEU  93          3HD2      LEU  93  -6.407  10.939   7.975
  734   HD22  LEU  93          1HD2      LEU  93  -5.814  10.571   9.601
  735   HD23  LEU  93          2HD2      LEU  93  -4.661  10.758   8.260
  736    H    LEU  94           H        LEU  94  -7.976   7.460   5.098
  737    HA   LEU  94           HA       LEU  94  -9.750   6.430   7.154
  738    HB2  LEU  94           2HB      LEU  94 -10.233   6.877   4.174
  739    HB3  LEU  94           3HB      LEU  94 -11.474   6.565   5.381
  740    HG   LEU  94           HG       LEU  94  -9.690   9.036   5.258
  741   HD11  LEU  94          1HD1      LEU  94 -11.762  10.204   4.672
  742   HD12  LEU  94          2HD1      LEU  94 -11.434   8.916   3.500
  743   HD13  LEU  94          3HD1      LEU  94 -12.673   8.678   4.752
  744   HD21  LEU  94          3HD2      LEU  94 -11.958   8.344   7.176
  745   HD22  LEU  94          1HD2      LEU  94 -10.246   8.580   7.601
  746   HD23  LEU  94          2HD2      LEU  94 -11.202   9.943   7.017
  747    H    GLN  95           H        GLN  95  -8.341   4.946   4.127
  748    HA   GLN  95           HA       GLN  95  -9.756   2.529   4.445
  749    HB2  GLN  95           2HB      GLN  95  -7.377   3.571   2.866
  750    HB3  GLN  95           3HB      GLN  95  -7.722   1.875   2.912
  751    HG2  GLN  95           2HG      GLN  95 -10.151   2.478   2.213
  752    HG3  GLN  95           3HG      GLN  95  -9.493   4.070   1.819
  753   HE21  GLN  95          1HE2      GLN  95  -7.829   4.165   0.018
  754   HE22  GLN  95          2HE2      GLN  95  -7.890   2.877  -1.157
  755    H    LEU  96           H        LEU  96  -6.609   3.575   5.744
  756    HA   LEU  96           HA       LEU  96  -6.068   0.914   6.754
  757    HB2  LEU  96           2HB      LEU  96  -4.326   2.475   5.994
  758    HB3  LEU  96           3HB      LEU  96  -4.723   3.616   7.268
  759    HG   LEU  96           HG       LEU  96  -3.790   0.787   7.910
  760   HD11  LEU  96          1HD1      LEU  96  -2.042   3.243   7.448
  761   HD12  LEU  96          2HD1      LEU  96  -1.493   1.660   8.045
  762   HD13  LEU  96          3HD1      LEU  96  -2.121   1.811   6.401
  763   HD21  LEU  96          3HD2      LEU  96  -3.644   3.443   9.420
  764   HD22  LEU  96          1HD2      LEU  96  -4.606   2.022   9.876
  765   HD23  LEU  96          2HD2      LEU  96  -2.857   1.944   9.948
  766    H    VAL  97           H        VAL  97  -7.271   3.942   8.307
  767    HA   VAL  97           HA       VAL  97  -7.371   2.682  10.918
  768    HB   VAL  97           HB       VAL  97  -8.733   5.181   9.865
  769   HG11  VAL  97          1HG1      VAL  97  -9.090   5.757  12.263
  770   HG12  VAL  97          2HG1      VAL  97 -10.048   4.362  11.771
  771   HG13  VAL  97          3HG1      VAL  97  -8.566   4.123  12.724
  772   HG21  VAL  97          3HG2      VAL  97  -7.007   6.336  11.190
  773   HG22  VAL  97          1HG2      VAL  97  -6.342   4.779  11.733
  774   HG23  VAL  97          2HG2      VAL  97  -6.226   5.254  10.030
  775    H    GLU  98           H        GLU  98 -10.061   3.508   8.644
  776    HA   GLU  98           HA       GLU  98 -11.881   1.702  10.158
  777    HB2  GLU  98           2HB      GLU  98 -12.581   4.024   9.486
  778    HB3  GLU  98           3HB      GLU  98 -12.347   3.586   7.797
  779    HG2  GLU  98           2HG      GLU  98 -14.658   3.454   8.178
  780    HG3  GLU  98           3HG      GLU  98 -14.102   1.793   8.070
  781    H    PHE  99           H        PHE  99 -10.836   1.880   6.689
  782    HA   PHE  99           HA       PHE  99 -12.354  -0.607   6.372
  783    HB2  PHE  99           2HB      PHE  99 -11.013   0.916   4.166
  784    HB3  PHE  99           3HB      PHE  99 -12.177  -0.375   4.024
  785    HD1  PHE  99           HD2      PHE  99 -14.520  -0.102   4.971
  786    HD2  PHE  99           HD1      PHE  99 -11.816   3.221   4.464
  787    HE1  PHE  99           HE2      PHE  99 -16.428   1.485   5.115
  788    HE2  PHE  99           HE1      PHE  99 -13.720   4.796   4.611
  789    HZ   PHE  99           HZ       PHE  99 -16.028   3.934   4.938
  790    H    HIS 100           H        HIS 100  -9.707  -0.877   7.871
  791    HA   HIS 100           HA       HIS 100  -8.210  -2.620   6.035
  792    HB2  HIS 100           2HB      HIS 100  -6.650  -2.994   7.778
  793    HB3  HIS 100           3HB      HIS 100  -7.049  -1.290   7.748
  794    HD1  HIS 100           HD1      HIS 100  -7.859  -0.293  10.050
  795    HD2  HIS 100           HD2      HIS 100  -7.586  -4.500   9.898
  796    HE1  HIS 100           HE1      HIS 100  -8.295  -1.133  12.449
  797    HE2  HIS 100           HE2      HIS 100  -8.083  -3.699  12.353
  798    H    GLN 101           H        GLN 101 -10.391  -3.232   8.776
  799    HA   GLN 101           HA       GLN 101  -9.936  -6.074   8.735
  800    HB2  GLN 101           2HB      GLN 101 -11.342  -6.240  10.565
  801    HB3  GLN 101           3HB      GLN 101 -10.503  -4.714  10.752
  802    HG2  GLN 101           2HG      GLN 101 -13.411  -5.131   9.931
  803    HG3  GLN 101           3HG      GLN 101 -12.820  -4.530  11.471
  804   HE21  GLN 101          2HE2      GLN 101 -11.966  -2.270  11.573
  805   HE22  GLN 101          1HE2      GLN 101 -12.286  -1.168  10.214
  806    H    LEU 102           H        LEU 102 -12.145  -4.158   6.907
  807    HA   LEU 102           HA       LEU 102 -13.099  -6.601   5.518
  808    HB2  LEU 102           2HB      LEU 102 -14.846  -4.329   6.565
  809    HB3  LEU 102           3HB      LEU 102 -15.388  -5.479   5.349
  810    HG   LEU 102           HG       LEU 102 -14.579  -6.257   8.176
  811   HD11  LEU 102          1HD1      LEU 102 -16.983  -6.572   8.542
  812   HD12  LEU 102          2HD1      LEU 102 -16.624  -4.889   8.128
  813   HD13  LEU 102          3HD1      LEU 102 -17.328  -5.967   6.905
  814   HD21  LEU 102          3HD2      LEU 102 -14.296  -8.126   6.570
  815   HD22  LEU 102          1HD2      LEU 102 -15.693  -8.403   7.616
  816   HD23  LEU 102          2HD2      LEU 102 -15.935  -7.845   5.947
  817    H    ASN 103           H        ASN 103 -11.059  -5.507   4.506
  818    HA   ASN 103           HA       ASN 103 -11.713  -3.379   2.571
  819    HB2  ASN 103           2HB      ASN 103  -9.425  -3.842   3.856
  820    HB3  ASN 103           3HB      ASN 103  -9.142  -5.009   2.602
  821   HD21  ASN 103          2HD2      ASN 103  -9.644  -1.583   3.282
  822   HD22  ASN 103          1HD2      ASN 103  -9.048  -1.007   1.712
  823    H    ARG 104           H        ARG 104 -10.177  -4.483   0.379
  824    HA   ARG 104           HA       ARG 104 -11.743  -6.863  -0.518
  825    HB2  ARG 104           2HB      ARG 104 -11.674  -5.926  -2.837
  826    HB3  ARG 104           3HB      ARG 104 -12.804  -5.214  -1.718
  827    HG2  ARG 104           2HG      ARG 104 -10.115  -3.871  -2.045
  828    HG3  ARG 104           3HG      ARG 104 -11.269  -3.760  -3.372
  829    HD2  ARG 104           2HD      ARG 104 -11.879  -2.880  -0.520
  830    HD3  ARG 104           3HD      ARG 104 -11.370  -1.822  -1.843
  831    HE   ARG 104           HE       ARG 104 -13.698  -3.416  -2.544
  832   HH11  ARG 104          1HH1      ARG 104 -12.826  -0.443  -0.891
  833   HH12  ARG 104          2HH1      ARG 104 -14.405   0.249  -1.130
  834   HH21  ARG 104          1HH2      ARG 104 -15.700  -2.495  -2.749
  835   HH22  ARG 104          2HH2      ARG 104 -15.961  -0.861  -2.225
  836    H    GLY 105           H        GLY 105  -8.928  -6.150   0.554
  837    HA2  GLY 105           2HA      GLY 105  -6.673  -6.708   0.208
  838    HA3  GLY 105           3HA      GLY 105  -7.472  -8.242   0.058
  839    H    ILE 106           H        ILE 106  -5.940  -9.105  -1.169
  840    HA   ILE 106           HA       ILE 106  -5.126  -8.157  -3.766
  841    HB   ILE 106           HB       ILE 106  -3.846  -9.754  -2.454
  842   HG12  ILE 106          2HG1      ILE 106  -3.135 -11.319  -4.203
  843   HG13  ILE 106          3HG1      ILE 106  -4.458 -10.809  -5.223
  844   HG21  ILE 106          1HG2      ILE 106  -5.621 -11.173  -1.567
  845   HG22  ILE 106          2HG2      ILE 106  -5.983 -11.789  -3.182
  846   HG23  ILE 106          3HG2      ILE 106  -4.427 -12.157  -2.415
  847   HD11  ILE 106          3HD1      ILE 106  -3.513  -8.495  -5.273
  848   HD12  ILE 106          1HD1      ILE 106  -2.202  -9.031  -4.189
  849   HD13  ILE 106          2HD1      ILE 106  -2.341  -9.702  -5.822
  850    H    LEU 107           H        LEU 107  -5.678  -8.829  -5.900
  851    HA   LEU 107           HA       LEU 107  -8.157  -8.896  -6.858
  852    HB2  LEU 107           2HB      LEU 107  -5.588 -10.039  -7.782
  853    HB3  LEU 107           3HB      LEU 107  -7.001 -10.721  -8.579
  854    HG   LEU 107           HG       LEU 107  -6.476  -7.736  -8.381
  855   HD11  LEU 107          1HD1      LEU 107  -4.680  -8.894  -9.629
  856   HD12  LEU 107          2HD1      LEU 107  -5.902  -9.658 -10.671
  857   HD13  LEU 107          3HD1      LEU 107  -5.672  -7.895 -10.692
  858   HD21  LEU 107          3HD2      LEU 107  -8.349  -9.403 -10.131
  859   HD22  LEU 107          1HD2      LEU 107  -8.857  -8.334  -8.807
  860   HD23  LEU 107          2HD2      LEU 107  -8.112  -7.654 -10.250
  861    HA   PRO 108           HA       PRO 108  -9.569 -13.243  -6.446
  862    HB2  PRO 108           2HB      PRO 108  -8.057 -15.405  -6.807
  863    HB3  PRO 108           3HB      PRO 108  -8.116 -14.096  -8.025
  864    HG2  PRO 108           2HG      PRO 108  -5.937 -14.701  -6.037
  865    HG3  PRO 108           3HG      PRO 108  -5.809 -14.091  -7.711
  866    HD2  PRO 108           2HD      PRO 108  -5.856 -12.571  -5.267
  867    HD3  PRO 108           3HD      PRO 108  -5.824 -11.962  -6.928
  868    H    CYS 109           H        CYS 109  -6.895 -13.675  -3.981
  869    HA   CYS 109           HA       CYS 109  -8.405 -15.660  -2.542
  870    HB2  CYS 109           2HB      CYS 109  -5.628 -14.405  -2.250
  871    HB3  CYS 109           3HB      CYS 109  -6.255 -15.778  -1.360
  872    HG   CYS 109           HG       CYS 109  -6.758 -17.336  -3.392
  873    H    LEU 110           H        LEU 110  -6.656 -14.159  -0.208
  874    HA   LEU 110           HA       LEU 110  -8.914 -13.572   1.421
  875    HB2  LEU 110           2HB      LEU 110  -5.928 -13.103   1.636
  876    HB3  LEU 110           3HB      LEU 110  -7.011 -12.469   2.857
  877    HG   LEU 110           HG       LEU 110  -5.937 -14.484   3.591
  878   HD11  LEU 110          1HD1      LEU 110  -7.867 -15.723   4.383
  879   HD12  LEU 110          2HD1      LEU 110  -8.242 -13.994   4.389
  880   HD13  LEU 110          3HD1      LEU 110  -8.897 -15.047   3.111
  881   HD21  LEU 110          3HD2      LEU 110  -5.629 -15.632   1.416
  882   HD22  LEU 110          1HD2      LEU 110  -6.334 -16.676   2.658
  883   HD23  LEU 110          2HD2      LEU 110  -7.373 -16.013   1.386
  884    H    LEU 111           H        LEU 111  -9.550 -11.579   2.415
  885    HA   LEU 111           HA       LEU 111  -9.238  -9.248   0.593
  886    HB2  LEU 111           2HB      LEU 111 -11.483  -8.728   0.772
  887    HB3  LEU 111           3HB      LEU 111 -11.325 -10.402   0.327
  888    HG   LEU 111           HG       LEU 111 -13.219 -10.015   1.755
  889   HD11  LEU 111          1HD1      LEU 111 -11.221 -11.587   3.418
  890   HD12  LEU 111          2HD1      LEU 111 -12.981 -11.743   3.379
  891   HD13  LEU 111          3HD1      LEU 111 -12.037 -12.203   1.955
  892   HD21  LEU 111          3HD2      LEU 111 -13.216  -9.238   3.971
  893   HD22  LEU 111          1HD2      LEU 111 -11.454  -9.313   4.109
  894   HD23  LEU 111          2HD2      LEU 111 -12.207  -8.087   3.071
  895    H    ARG 112           H        ARG 112  -8.435  -9.877   3.811
  896    HA   ARG 112           HA       ARG 112  -8.912  -6.998   4.549
  897    HB2  ARG 112           2HB      ARG 112  -8.972  -7.726   6.908
  898    HB3  ARG 112           3HB      ARG 112 -10.331  -8.257   5.922
  899    HG2  ARG 112           2HG      ARG 112  -9.564 -10.526   5.876
  900    HG3  ARG 112           3HG      ARG 112  -7.961 -10.087   6.482
  901    HD2  ARG 112           2HD      ARG 112  -9.354 -11.187   8.189
  902    HD3  ARG 112           3HD      ARG 112  -8.818  -9.574   8.669
  903    HE   ARG 112           HE       ARG 112 -11.132  -8.777   7.887
  904   HH11  ARG 112          1HH1      ARG 112 -10.778 -11.958   9.337
  905   HH12  ARG 112          2HH1      ARG 112 -12.407 -11.929   9.953
  906   HH21  ARG 112          1HH2      ARG 112 -13.087  -8.784   8.678
  907   HH22  ARG 112          2HH2      ARG 112 -13.713 -10.153   9.575
  908    H    HIS 113           H        HIS 113  -7.428  -5.867   5.725
  909    HA   HIS 113           HA       HIS 113  -4.616  -6.912   5.649
  910    HB2  HIS 113           2HB      HIS 113  -5.195  -3.999   6.037
  911    HB3  HIS 113           3HB      HIS 113  -3.780  -4.819   5.445
  912    HD2  HIS 113           HD2      HIS 113  -6.050  -2.486   4.145
  913    HE1  HIS 113           HE1      HIS 113  -5.479  -5.053   0.796
  914    HE2  HIS 113           HE2      HIS 113  -6.333  -2.780   1.540
  915    H    CYS 114           H        CYS 114  -3.255  -6.631   7.318
  916    HA   CYS 114           HA       CYS 114  -4.557  -6.307  10.009
  917    HB2  CYS 114           2HB      CYS 114  -2.724  -8.526   8.981
  918    HB3  CYS 114           3HB      CYS 114  -3.247  -8.312  10.650
  919    HG   CYS 114           HG       CYS 114  -4.603 -10.277   9.587
  920    H    CYS 115           H        CYS 115  -1.279  -6.721   8.564
  921    HA   CYS 115           HA       CYS 115  -0.216  -4.475  10.177
  922    HB2  CYS 115           2HB      CYS 115  -0.156  -6.706  11.489
  923    HB3  CYS 115           3HB      CYS 115   1.109  -7.208  10.360
  924    HG   CYS 115           HG       CYS 115   2.119  -6.367  12.677
  925    H    THR 116           H        THR 116   2.460  -5.125   9.659
  926    HA   THR 116           HA       THR 116   2.820  -4.759   6.711
  927    HB   THR 116           HB       THR 116   4.184  -3.231   8.964
  928    HG1  THR 116           1HG      THR 116   2.928  -1.581   8.618
  929   HG21  THR 116          1HG2      THR 116   4.884  -1.659   7.152
  930   HG22  THR 116          2HG2      THR 116   5.610  -3.263   7.013
  931   HG23  THR 116          3HG2      THR 116   4.256  -2.812   5.954
  932    H    ARG 117           H        ARG 117   4.570  -5.930   5.853
  933    HA   ARG 117           HA       ARG 117   6.758  -6.764   7.715
  934    HB2  ARG 117           2HB      ARG 117   5.355  -8.529   5.662
  935    HB3  ARG 117           3HB      ARG 117   6.903  -8.899   6.439
  936    HG2  ARG 117           2HG      ARG 117   5.790  -8.800   8.685
  937    HG3  ARG 117           3HG      ARG 117   4.245  -8.512   7.876
  938    HD2  ARG 117           2HD      ARG 117   4.356 -10.852   8.425
  939    HD3  ARG 117           3HD      ARG 117   4.496 -10.690   6.677
  940    HE   ARG 117           HE       ARG 117   6.841 -11.167   6.775
  941   HH11  ARG 117          1HH1      ARG 117   5.380 -11.625   9.947
  942   HH12  ARG 117          2HH1      ARG 117   6.741 -12.538  10.528
  943   HH21  ARG 117          1HH2      ARG 117   8.536 -12.277   7.602
  944   HH22  ARG 117          2HH2      ARG 117   8.480 -12.913   9.221
  945    H    VAL 118           H        VAL 118   8.756  -6.619   6.956
  946    HA   VAL 118           HA       VAL 118   9.359  -5.955   4.137
  947    HB   VAL 118           HB       VAL 118  10.739  -4.006   4.807
  948   HG11  VAL 118          1HG1      VAL 118   8.974  -2.383   4.921
  949   HG12  VAL 118          2HG1      VAL 118   8.451  -3.713   3.874
  950   HG13  VAL 118          3HG1      VAL 118   7.819  -3.584   5.530
  951   HG21  VAL 118          3HG2      VAL 118  10.370  -2.847   6.926
  952   HG22  VAL 118          1HG2      VAL 118   9.289  -4.135   7.488
  953   HG23  VAL 118          2HG2      VAL 118  11.017  -4.465   7.228
  954    H    ALA 119           H        ALA 119  11.704  -5.944   3.689
  955    HA   ALA 119           HA       ALA 119  13.073  -8.140   5.011
  956    HB1  ALA 119           3HB      ALA 119  14.826  -7.690   3.353
  957    HB2  ALA 119           1HB      ALA 119  13.228  -7.730   2.582
  958    HB3  ALA 119           2HB      ALA 119  14.033  -6.170   2.896
  959    H    LEU 120           H        LEU 120  15.176  -8.038   5.962
  960    HA   LEU 120           HA       LEU 120  16.115  -5.491   7.133
  961    HB2  LEU 120           2HB      LEU 120  14.542  -6.470   8.781
  962    HB3  LEU 120           3HB      LEU 120  15.431  -7.992   8.733
  963    HG   LEU 120           HG       LEU 120  17.429  -6.863   9.696
  964   HD11  LEU 120          1HD1      LEU 120  15.575  -4.448   9.902
  965   HD12  LEU 120          2HD1      LEU 120  17.153  -4.606  10.706
  966   HD13  LEU 120          3HD1      LEU 120  17.067  -4.551   8.942
  967   HD21  LEU 120          3HD2      LEU 120  16.496  -6.578  11.951
  968   HD22  LEU 120          1HD2      LEU 120  14.855  -6.460  11.276
  969   HD23  LEU 120          2HD2      LEU 120  15.771  -7.977  11.142
  970    H2   PRO1135           H2       PRO1135   9.207  -9.696 -18.731
  971    H3   PRO1135           H3       PRO1135  10.701 -10.277 -18.341
  972    HA   PRO1135           HA       PRO1135  11.374  -8.263 -17.355
  973    HB2  PRO1135           2HB      PRO1135   8.872  -6.846 -18.280
  974    HB3  PRO1135           3HB      PRO1135  10.526  -6.208 -18.042
  975    HG2  PRO1135           2HG      PRO1135   9.340  -7.280 -20.470
  976    HG3  PRO1135           3HG      PRO1135  11.029  -6.729 -20.265
  977    HD2  PRO1135           2HD      PRO1135  10.371  -9.368 -20.747
  978    HD3  PRO1135           3HD      PRO1135  11.808  -8.854 -19.830
  979    H    GLN1136           H        GLN1136  10.507  -7.049 -15.412
  980    HA   GLN1136           HA       GLN1136   8.967  -8.849 -13.732
  981    HB2  GLN1136           2HB      GLN1136  10.203  -6.103 -13.296
  982    HB3  GLN1136           3HB      GLN1136   9.265  -6.939 -12.061
  983    HG2  GLN1136           2HG      GLN1136  10.829  -8.869 -12.153
  984    HG3  GLN1136           3HG      GLN1136  11.799  -8.025 -13.367
  985   HE21  GLN1136          2HE2      GLN1136  10.434  -7.519 -10.057
  986   HE22  GLN1136          1HE2      GLN1136  11.806  -6.564  -9.482
  987    HA   PRO1137           HA       PRO1137   4.960  -6.829 -14.232
  988    HB2  PRO1137           2HB      PRO1137   3.647  -7.694 -12.008
  989    HB3  PRO1137           3HB      PRO1137   4.047  -8.778 -13.377
  990    HG2  PRO1137           2HG      PRO1137   5.576  -8.419 -10.779
  991    HG3  PRO1137           3HG      PRO1137   5.081  -9.949 -11.567
  992    HD2  PRO1137           2HD      PRO1137   7.582  -8.891 -11.870
  993    HD3  PRO1137           3HD      PRO1137   6.764  -9.763 -13.199
  994    H    GLU1138           H        GLU1138   4.077  -4.882 -13.649
  995    HA   GLU1138           HA       GLU1138   4.902  -3.491 -11.161
  996    HB2  GLU1138           2HB      GLU1138   5.609  -1.529 -12.482
  997    HB3  GLU1138           3HB      GLU1138   6.658  -2.927 -12.698
  998    HG2  GLU1138           2HG      GLU1138   5.491  -3.310 -14.925
  999    HG3  GLU1138           3HG      GLU1138   4.643  -1.771 -14.662
 1000    H    PTR1139           H        PTR1139   3.124  -2.487 -10.252
 1001    HA   PTR1139           HA       PTR1139   0.951  -1.620 -10.094
 1002    HB2  PTR1139           2HB      PTR1139   1.628  -0.223 -12.477
 1003    HB3  PTR1139           3HB      PTR1139   0.358   0.133 -11.326
 1004    HD1  PTR1139           1HD      PTR1139   1.385   0.193  -8.536
 1005    HD2  PTR1139           2HD      PTR1139   3.608   1.109 -12.214
 1006    HE1  PTR1139           1HE      PTR1139   2.944   1.470  -7.343
 1007    HE2  PTR1139           2HE      PTR1139   5.021   2.712 -10.831
 1008    H    VAL1140           H        VAL1140  -1.212  -1.427 -11.098
 1009    HA   VAL1140           HA       VAL1140  -2.353  -3.878 -11.958
 1010    HB   VAL1140           HB       VAL1140  -3.038  -3.265  -8.976
 1011   HG11  VAL1140          1HG1      VAL1140  -3.854  -5.627  -8.829
 1012   HG12  VAL1140          2HG1      VAL1140  -4.514  -5.075 -10.361
 1013   HG13  VAL1140          3HG1      VAL1140  -3.096  -6.050 -10.378
 1014   HG21  VAL1140          3HG2      VAL1140  -1.053  -5.419  -9.846
 1015   HG22  VAL1140          1HG2      VAL1140  -0.635  -3.986  -8.961
 1016   HG23  VAL1140          2HG2      VAL1140  -1.659  -5.179  -8.186
 1017    H    ASN1141           H        ASN1141  -2.962  -0.583 -11.136
 1018    HA   ASN1141           HA       ASN1141  -5.882  -0.919 -11.473
 1019    HB2  ASN1141           2HB      ASN1141  -4.013   1.179 -12.443
 1020    HB3  ASN1141           3HB      ASN1141  -5.708   1.308 -12.792
 1021   HD21  ASN1141          1HD2      ASN1141  -3.492   0.917  -9.896
 1022   HD22  ASN1141          2HD2      ASN1141  -3.951   2.511  -9.357
 1023    H    GLN1142           H        GLN1142  -2.981  -0.880 -13.434
 1024    HA   GLN1142           HA       GLN1142  -3.646  -3.017 -15.172
 1025    HB2  GLN1142           2HB      GLN1142  -2.166  -0.303 -15.436
 1026    HB3  GLN1142           3HB      GLN1142  -1.897  -1.540 -16.602
 1027    HG2  GLN1142           2HG      GLN1142  -3.204   0.053 -17.777
 1028    HG3  GLN1142           3HG      GLN1142  -4.209  -1.362 -17.526
 1029   HE21  GLN1142          1HE2      GLN1142  -3.560   1.854 -15.906
 1030   HE22  GLN1142          2HE2      GLN1142  -5.262   2.194 -15.662
 1031    HA   PRO1143           HA       PRO1143   0.588  -3.463 -13.908
 1032    HB2  PRO1143           2HB      PRO1143   1.641  -5.240 -15.741
 1033    HB3  PRO1143           3HB      PRO1143   0.506  -5.763 -14.458
 1034    HG2  PRO1143           2HG      PRO1143  -0.147  -5.053 -17.341
 1035    HG3  PRO1143           3HG      PRO1143  -0.669  -6.494 -16.418
 1036    HD2  PRO1143           2HD      PRO1143  -2.206  -4.202 -16.717
 1037    HD3  PRO1143           3HD      PRO1143  -2.324  -5.279 -15.291
 1038    H    ASP1144           H        ASP1144   0.125  -1.326 -14.651
 1039    HA   ASP1144           HA       ASP1144  -0.068   0.490 -15.736
 1040    HB2  ASP1144           2HB      ASP1144   1.938   0.774 -14.447
 1041    HB3  ASP1144           3HB      ASP1144   2.946   0.060 -15.703
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  26.459  24.600  -4.533
    2    H2   GLY   1           H2       GLY   1  25.813  23.530  -5.593
    3    H3   GLY   1           H3       GLY   1  26.450  24.940  -6.133
    4    HA2  GLY   1           2HA      GLY   1  27.971  23.148  -6.618
    5    HA3  GLY   1           3HA      GLY   1  28.664  24.289  -5.451
    6    H    SER   2           H        SER   2  30.085  22.622  -4.678
    7    HA   SER   2           HA       SER   2  29.098  20.167  -3.516
    8    HB2  SER   2           2HB      SER   2  31.767  21.579  -3.215
    9    HB3  SER   2           3HB      SER   2  31.416  19.922  -2.689
   10    HG   SER   2           HG       SER   2  32.375  20.077  -4.808
   11    HA   PRO   3           HA       PRO   3  29.722  18.747  -1.730
   12    HB2  PRO   3           2HB      PRO   3  28.573  17.523   0.376
   13    HB3  PRO   3           3HB      PRO   3  30.076  18.470   0.548
   14    HG2  PRO   3           2HG      PRO   3  27.231  19.400   1.090
   15    HG3  PRO   3           3HG      PRO   3  28.653  19.512   2.179
   16    HD2  PRO   3           2HD      PRO   3  27.881  21.585   0.566
   17    HD3  PRO   3           3HD      PRO   3  29.602  21.253   0.917
   18    H    ALA   4           H        ALA   4  26.668  20.371  -1.624
   19    HA   ALA   4           HA       ALA   4  24.838  18.280  -2.010
   20    HB1  ALA   4           3HB      ALA   4  24.752  21.129  -3.089
   21    HB2  ALA   4           1HB      ALA   4  23.364  20.044  -2.881
   22    HB3  ALA   4           2HB      ALA   4  24.257  20.611  -1.459
   23    H    SER   5           H        SER   5  27.214  19.362  -4.247
   24    HA   SER   5           HA       SER   5  26.140  18.614  -6.769
   25    HB2  SER   5           2HB      SER   5  28.541  18.479  -7.425
   26    HB3  SER   5           3HB      SER   5  28.176  19.945  -6.501
   27    HG   SER   5           HG       SER   5  29.994  19.096  -5.555
   28    H    GLY   6           H        GLY   6  27.271  16.616  -4.120
   29    HA2  GLY   6           2HA      GLY   6  26.111  14.278  -4.729
   30    HA3  GLY   6           3HA      GLY   6  27.522  14.167  -5.783
   31    H    THR   7           H        THR   7  28.511  15.793  -2.957
   32    HA   THR   7           HA       THR   7  29.669  13.256  -1.890
   33    HB   THR   7           HB       THR   7  31.522  14.633  -1.060
   34    HG1  THR   7           1HG      THR   7  31.695  16.735  -1.853
   35   HG21  THR   7          1HG2      THR   7  31.655  13.547  -3.299
   36   HG22  THR   7          2HG2      THR   7  31.044  15.041  -4.042
   37   HG23  THR   7          3HG2      THR   7  32.605  15.037  -3.194
   38    H    SER   8           H        SER   8  27.218  15.304  -1.012
   39    HA   SER   8           HA       SER   8  27.574  15.708   1.755
   40    HB2  SER   8           2HB      SER   8  25.019  15.060   0.233
   41    HB3  SER   8           3HB      SER   8  25.092  15.675   1.895
   42    HG   SER   8           HG       SER   8  24.799  17.374   0.448
   43    H    LEU   9           H        LEU   9  26.980  14.590   3.610
   44    HA   LEU   9           HA       LEU   9  27.404  11.722   3.546
   45    HB2  LEU   9           2HB      LEU   9  26.792  13.702   5.779
   46    HB3  LEU   9           3HB      LEU   9  26.955  11.986   6.060
   47    HG   LEU   9           HG       LEU   9  28.963  13.082   6.695
   48   HD11  LEU   9          1HD1      LEU   9  29.144  10.814   5.695
   49   HD12  LEU   9          2HD1      LEU   9  29.544  11.556   4.128
   50   HD13  LEU   9          3HD1      LEU   9  30.616  11.781   5.521
   51   HD21  LEU   9          3HD2      LEU   9  29.427  14.004   3.837
   52   HD22  LEU   9          1HD2      LEU   9  28.872  15.052   5.170
   53   HD23  LEU   9          2HD2      LEU   9  30.460  14.270   5.250
   54    H    SER  10           H        SER  10  26.069  10.088   4.375
   55    HA   SER  10           HA       SER  10  23.395  10.113   3.382
   56    HB2  SER  10           2HB      SER  10  24.736   8.111   5.236
   57    HB3  SER  10           3HB      SER  10  23.254   7.842   4.299
   58    HG   SER  10           HG       SER  10  25.114   7.017   3.241
   59    H    ALA  11           H        ALA  11  21.411   9.793   4.423
   60    HA   ALA  11           HA       ALA  11  21.165  10.260   7.336
   61    HB1  ALA  11           3HB      ALA  11  21.021  12.499   6.288
   62    HB2  ALA  11           1HB      ALA  11  19.728  11.919   5.215
   63    HB3  ALA  11           2HB      ALA  11  19.459  12.008   6.968
   64    H    ALA  12           H        ALA  12  18.993   9.744   8.155
   65    HA   ALA  12           HA       ALA  12  18.036   7.256   7.067
   66    HB1  ALA  12           3HB      ALA  12  16.931   8.993   9.311
   67    HB2  ALA  12           1HB      ALA  12  16.499   7.302   8.987
   68    HB3  ALA  12           2HB      ALA  12  18.154   7.710   9.480
   69    H    ILE  13           H        ILE  13  16.065   6.696   6.193
   70    HA   ILE  13           HA       ILE  13  14.706   8.693   4.569
   71    HB   ILE  13           HB       ILE  13  15.258   6.444   3.751
   72   HG12  ILE  13          2HG1      ILE  13  13.159   5.809   2.678
   73   HG13  ILE  13          3HG1      ILE  13  12.238   6.836   3.771
   74   HG21  ILE  13          1HG2      ILE  13  14.935   5.102   5.789
   75   HG22  ILE  13          2HG2      ILE  13  13.188   5.395   5.733
   76   HG23  ILE  13          3HG2      ILE  13  13.982   4.453   4.458
   77   HD11  ILE  13          3HD1      ILE  13  13.317   8.848   2.815
   78   HD12  ILE  13          1HD1      ILE  13  14.355   7.818   1.797
   79   HD13  ILE  13          2HD1      ILE  13  12.599   7.860   1.535
   80    H    HIS  14           H        HIS  14  14.129   7.290   7.670
   81    HA   HIS  14           HA       HIS  14  11.364   8.402   7.859
   82    HB2  HIS  14           2HB      HIS  14  10.901   6.520   9.350
   83    HB3  HIS  14           3HB      HIS  14  11.468   5.940   7.788
   84    HD2  HIS  14           HD2      HIS  14  11.951   5.303  11.359
   85    HE1  HIS  14           HE1      HIS  14  15.715   4.174   9.705
   86    HE2  HIS  14           HE2      HIS  14  14.234   4.059  11.774
   87    H    ARG  15           H        ARG  15  10.658   9.110   9.932
   88    HA   ARG  15           HA       ARG  15  12.724   9.569  12.001
   89    HB2  ARG  15           2HB      ARG  15  11.939  11.901  12.337
   90    HB3  ARG  15           3HB      ARG  15  12.465  11.678  10.671
   91    HG2  ARG  15           2HG      ARG  15  10.135  11.402   9.913
   92    HG3  ARG  15           3HG      ARG  15   9.535  11.500  11.562
   93    HD2  ARG  15           2HD      ARG  15  11.052  13.723  10.126
   94    HD3  ARG  15           3HD      ARG  15   9.287  13.610  10.235
   95    HE   ARG  15           HE       ARG  15  10.254  13.479  12.879
   96   HH11  ARG  15          1HH1      ARG  15  10.181  15.875  10.325
   97   HH12  ARG  15          2HH1      ARG  15  10.192  17.212  11.444
   98   HH21  ARG  15          1HH2      ARG  15  10.278  15.229  14.261
   99   HH22  ARG  15          2HH2      ARG  15  10.242  16.846  13.620
  100    H    THR  16           H        THR  16  10.235   8.089  11.542
  101    HA   THR  16           HA       THR  16   9.318   7.815  14.311
  102    HB   THR  16           HB       THR  16   6.879   7.879  13.721
  103    HG1  THR  16           1HG      THR  16   6.403   9.130  11.824
  104   HG21  THR  16          1HG2      THR  16   6.566  10.254  13.815
  105   HG22  THR  16          2HG2      THR  16   7.966   9.840  14.815
  106   HG23  THR  16          3HG2      THR  16   8.205  10.563  13.211
  107    H    GLN  17           H        GLN  17   7.588   5.941  14.353
  108    HA   GLN  17           HA       GLN  17   8.671   3.650  12.937
  109    HB2  GLN  17           2HB      GLN  17   7.404   2.357  14.398
  110    HB3  GLN  17           3HB      GLN  17   7.866   3.752  15.349
  111    HG2  GLN  17           2HG      GLN  17   5.133   3.023  14.244
  112    HG3  GLN  17           3HG      GLN  17   5.609   3.274  15.914
  113   HE21  GLN  17          2HE2      GLN  17   6.251   5.631  16.493
  114   HE22  GLN  17          1HE2      GLN  17   5.268   6.861  15.722
  115    H    LEU  18           H        LEU  18   7.024   5.860  11.429
  116    HA   LEU  18           HA       LEU  18   4.548   4.924  10.655
  117    HB2  LEU  18           2HB      LEU  18   4.538   6.600   9.076
  118    HB3  LEU  18           3HB      LEU  18   5.583   7.190  10.349
  119    HG   LEU  18           HG       LEU  18   6.418   6.095   7.620
  120   HD11  LEU  18          1HD1      LEU  18   5.433   8.359   7.630
  121   HD12  LEU  18          2HD1      LEU  18   6.642   8.888   8.813
  122   HD13  LEU  18          3HD1      LEU  18   7.138   8.389   7.178
  123   HD21  LEU  18          3HD2      LEU  18   8.227   5.558   9.222
  124   HD22  LEU  18          1HD2      LEU  18   8.708   6.840   8.114
  125   HD23  LEU  18          2HD2      LEU  18   8.235   7.246   9.779
  126    H    TRP  19           H        TRP  19   3.616   4.026   8.853
  127    HA   TRP  19           HA       TRP  19   5.189   1.883   7.542
  128    HB2  TRP  19           2HB      TRP  19   2.269   2.204   8.233
  129    HB3  TRP  19           3HB      TRP  19   2.806   0.994   7.082
  130    HD1  TRP  19           HD1      TRP  19   4.237  -1.024   7.878
  131    HE1  TRP  19           HE1      TRP  19   4.557  -2.164  10.129
  132    HE3  TRP  19           HE3      TRP  19   2.422   2.699  10.904
  133    HZ2  TRP  19           HZ2      TRP  19   4.124  -1.528  12.930
  134    HZ3  TRP  19           HZ3      TRP  19   2.395   2.399  13.371
  135    HH2  TRP  19           HH2      TRP  19   3.242   0.298  14.394
  136    H    PHE  20           H        PHE  20   5.300   4.658   6.542
  137    HA   PHE  20           HA       PHE  20   4.796   3.938   3.745
  138    HB2  PHE  20           2HB      PHE  20   3.909   6.161   3.174
  139    HB3  PHE  20           3HB      PHE  20   2.836   5.143   4.103
  140    HD1  PHE  20           HD1      PHE  20   2.421   5.617   6.553
  141    HD2  PHE  20           HD2      PHE  20   4.492   8.363   3.951
  142    HE1  PHE  20           HE1      PHE  20   1.890   7.487   8.102
  143    HE2  PHE  20           HE2      PHE  20   3.939  10.233   5.490
  144    HZ   PHE  20           HZ       PHE  20   2.632   9.799   7.564
  145    H    HIS  21           H        HIS  21   6.329   4.284   2.474
  146    HA   HIS  21           HA       HIS  21   8.668   6.070   3.004
  147    HB2  HIS  21           2HB      HIS  21   8.585   3.050   2.423
  148    HB3  HIS  21           3HB      HIS  21  10.059   4.035   2.338
  149    HD2  HIS  21           HD2      HIS  21  11.236   4.691   4.623
  150    HE1  HIS  21           HE1      HIS  21   8.579   2.701   7.293
  151    HE2  HIS  21           HE2      HIS  21  10.808   3.910   7.106
  152    H    GLY  22           H        GLY  22   9.465   6.981   0.784
  153    HA2  GLY  22           2HA      GLY  22   8.042   5.722  -1.467
  154    HA3  GLY  22           3HA      GLY  22   7.823   7.401  -1.180
  155    H    ARG  23           H        ARG  23  10.637   5.245  -0.907
  156    HA   ARG  23           HA       ARG  23  11.696   6.110  -3.484
  157    HB2  ARG  23           2HB      ARG  23  12.603   7.869  -2.172
  158    HB3  ARG  23           3HB      ARG  23  12.986   6.821  -0.818
  159    HG2  ARG  23           2HG      ARG  23  14.960   7.759  -1.968
  160    HG3  ARG  23           3HG      ARG  23  14.972   6.026  -1.831
  161    HD2  ARG  23           2HD      ARG  23  13.811   6.566  -4.377
  162    HD3  ARG  23           3HD      ARG  23  15.125   7.726  -4.203
  163    HE   ARG  23           HE       ARG  23  16.650   5.823  -3.728
  164   HH11  ARG  23          1HH1      ARG  23  13.797   5.057  -5.666
  165   HH12  ARG  23          2HH1      ARG  23  14.270   3.369  -5.783
  166   HH21  ARG  23          1HH2      ARG  23  17.239   3.690  -4.189
  167   HH22  ARG  23          2HH2      ARG  23  16.152   2.704  -5.157
  168    H    ILE  24           H        ILE  24  10.565   3.920  -3.073
  169    HA   ILE  24           HA       ILE  24  12.612   1.832  -3.333
  170    HB   ILE  24           HB       ILE  24  12.120   2.056  -0.885
  171   HG12  ILE  24          2HG1      ILE  24  11.537  -0.444  -0.556
  172   HG13  ILE  24          3HG1      ILE  24  11.447  -0.534  -2.318
  173   HG21  ILE  24          1HG2      ILE  24  10.128   1.522   0.167
  174   HG22  ILE  24          2HG2      ILE  24   9.668   2.660  -1.104
  175   HG23  ILE  24          3HG2      ILE  24   9.363   0.914  -1.299
  176   HD11  ILE  24          3HD1      ILE  24  13.819   0.203  -2.473
  177   HD12  ILE  24          1HD1      ILE  24  13.885   0.319  -0.699
  178   HD13  ILE  24          2HD1      ILE  24  13.643  -1.255  -1.484
  179    H    SER  25           H        SER  25  11.838   2.214  -5.496
  180    HA   SER  25           HA       SER  25   9.137   2.224  -6.371
  181    HB2  SER  25           2HB      SER  25  11.197   3.020  -7.604
  182    HB3  SER  25           3HB      SER  25  11.490   1.332  -8.034
  183    HG   SER  25           HG       SER  25   9.023   2.784  -8.590
  184    H    ARG  26           H        ARG  26   7.927   0.682  -7.594
  185    HA   ARG  26           HA       ARG  26   7.352  -1.607  -6.341
  186    HB2  ARG  26           2HB      ARG  26   6.111  -2.294  -8.359
  187    HB3  ARG  26           3HB      ARG  26   5.955  -0.576  -8.090
  188    HG2  ARG  26           2HG      ARG  26   7.617  -1.992 -10.206
  189    HG3  ARG  26           3HG      ARG  26   6.092  -1.141 -10.429
  190    HD2  ARG  26           2HD      ARG  26   7.270   0.992  -9.710
  191    HD3  ARG  26           3HD      ARG  26   8.787   0.069  -9.772
  192    HE   ARG  26           HE       ARG  26   7.266  -0.200 -12.220
  193   HH11  ARG  26          2HH2      ARG  26   9.575   1.975 -10.668
  194   HH12  ARG  26          1HH2      ARG  26  10.235   2.453 -12.214
  195   HH21  ARG  26          2HH1      ARG  26   8.143   0.314 -13.960
  196   HH22  ARG  26          1HH1      ARG  26   9.362   1.587 -14.129
  197    H    GLU  27           H        GLU  27   9.851  -1.554  -8.836
  198    HA   GLU  27           HA       GLU  27  10.258  -4.444  -8.812
  199    HB2  GLU  27           2HB      GLU  27  12.095  -4.013 -10.299
  200    HB3  GLU  27           3HB      GLU  27  10.666  -3.119 -10.811
  201    HG2  GLU  27           2HG      GLU  27  11.627  -1.042  -9.792
  202    HG3  GLU  27           3HG      GLU  27  13.072  -1.952  -9.342
  203    H    GLU  28           H        GLU  28  11.498  -1.807  -6.901
  204    HA   GLU  28           HA       GLU  28  13.779  -3.288  -5.761
  205    HB2  GLU  28           2HB      GLU  28  12.580  -0.618  -4.927
  206    HB3  GLU  28           3HB      GLU  28  14.130  -1.294  -4.435
  207    HG2  GLU  28           2HG      GLU  28  14.968  -1.124  -6.749
  208    HG3  GLU  28           3HG      GLU  28  13.410  -0.481  -7.287
  209    H    SER  29           H        SER  29  10.570  -2.075  -4.695
  210    HA   SER  29           HA       SER  29  10.808  -3.122  -2.006
  211    HB2  SER  29           2HB      SER  29   8.249  -2.684  -2.033
  212    HB3  SER  29           3HB      SER  29   9.385  -1.340  -2.090
  213    HG   SER  29           HG       SER  29   8.824  -0.874  -4.058
  214    H    GLN  30           H        GLN  30   9.600  -4.648  -4.984
  215    HA   GLN  30           HA       GLN  30   8.347  -6.812  -3.581
  216    HB2  GLN  30           2HB      GLN  30   8.460  -8.081  -5.684
  217    HB3  GLN  30           3HB      GLN  30   7.776  -6.463  -5.834
  218    HG2  GLN  30           2HG      GLN  30  10.002  -5.700  -6.754
  219    HG3  GLN  30           3HG      GLN  30  10.551  -7.370  -6.701
  220   HE21  GLN  30          1HE2      GLN  30   7.277  -6.107  -7.752
  221   HE22  GLN  30          2HE2      GLN  30   7.524  -6.543  -9.432
  222    H    ARG  31           H        ARG  31  11.752  -6.176  -3.951
  223    HA   ARG  31           HA       ARG  31  12.570  -8.917  -3.324
  224    HB2  ARG  31           2HB      ARG  31  13.964  -7.315  -4.615
  225    HB3  ARG  31           3HB      ARG  31  14.095  -6.281  -3.197
  226    HG2  ARG  31           2HG      ARG  31  16.122  -7.533  -3.541
  227    HG3  ARG  31           3HG      ARG  31  15.402  -7.989  -2.008
  228    HD2  ARG  31           2HD      ARG  31  14.992  -9.613  -4.553
  229    HD3  ARG  31           3HD      ARG  31  16.409  -9.827  -3.512
  230    HE   ARG  31           HE       ARG  31  14.213 -10.008  -1.792
  231   HH11  ARG  31          1HH1      ARG  31  15.417 -11.881  -4.497
  232   HH12  ARG  31          2HH1      ARG  31  14.695 -13.359  -3.923
  233   HH21  ARG  31          1HH2      ARG  31  13.312 -11.907  -1.112
  234   HH22  ARG  31          2HH2      ARG  31  13.530 -13.368  -2.035
  235    H    LEU  32           H        LEU  32  11.698  -6.070  -1.461
  236    HA   LEU  32           HA       LEU  32  12.651  -7.193   1.109
  237    HB2  LEU  32           2HB      LEU  32  11.363  -4.563   0.280
  238    HB3  LEU  32           3HB      LEU  32  11.526  -5.045   1.963
  239    HG   LEU  32           HG       LEU  32  13.984  -5.181   1.729
  240   HD11  LEU  32          1HD1      LEU  32  13.486  -3.988  -1.036
  241   HD12  LEU  32          2HD1      LEU  32  15.052  -3.990  -0.199
  242   HD13  LEU  32          3HD1      LEU  32  14.319  -5.520  -0.663
  243   HD21  LEU  32          3HD2      LEU  32  12.716  -2.522   0.935
  244   HD22  LEU  32          1HD2      LEU  32  12.858  -3.167   2.587
  245   HD23  LEU  32          2HD2      LEU  32  14.313  -2.734   1.684
  246    H    ILE  33           H        ILE  33   9.470  -6.267  -0.332
  247    HA   ILE  33           HA       ILE  33   8.024  -7.450   1.923
  248    HB   ILE  33           HB       ILE  33   7.053  -6.128  -0.629
  249   HG12  ILE  33          2HG1      ILE  33   6.207  -4.381   0.933
  250   HG13  ILE  33          3HG1      ILE  33   6.951  -5.210   2.292
  251   HG21  ILE  33          1HG2      ILE  33   5.468  -7.199   1.752
  252   HG22  ILE  33          2HG2      ILE  33   4.803  -6.078   0.543
  253   HG23  ILE  33          3HG2      ILE  33   5.299  -7.686   0.044
  254   HD11  ILE  33          3HD1      ILE  33   8.508  -3.981  -0.026
  255   HD12  ILE  33          1HD1      ILE  33   8.129  -3.155   1.490
  256   HD13  ILE  33          2HD1      ILE  33   9.159  -4.578   1.529
  257    H    GLY  34           H        GLY  34   9.413  -8.802  -0.863
  258    HA2  GLY  34           2HA      GLY  34   7.470 -10.988  -1.188
  259    HA3  GLY  34           3HA      GLY  34   8.911 -10.681  -2.131
  260    H    GLN  35           H        GLN  35  10.023 -10.570   0.974
  261    HA   GLN  35           HA       GLN  35  11.029 -13.343   0.889
  262    HB2  GLN  35           2HB      GLN  35  12.436 -11.366   1.467
  263    HB3  GLN  35           3HB      GLN  35  11.469 -11.112   2.923
  264    HG2  GLN  35           2HG      GLN  35  12.188 -13.298   3.806
  265    HG3  GLN  35           3HG      GLN  35  13.046 -13.649   2.303
  266   HE21  GLN  35          2HE2      GLN  35  14.698 -13.981   4.262
  267   HE22  GLN  35          1HE2      GLN  35  15.706 -12.571   4.570
  268    H    GLN  36           H        GLN  36   8.256 -11.766   2.028
  269    HA   GLN  36           HA       GLN  36   7.733 -13.475   4.297
  270    HB2  GLN  36           2HB      GLN  36   6.124 -11.227   3.048
  271    HB3  GLN  36           3HB      GLN  36   5.578 -12.194   4.410
  272    HG2  GLN  36           2HG      GLN  36   6.449 -10.495   5.612
  273    HG3  GLN  36           3HG      GLN  36   7.939 -11.423   5.449
  274   HE21  GLN  36          2HE2      GLN  36   9.616 -10.578   4.066
  275   HE22  GLN  36          1HE2      GLN  36   9.506  -8.963   3.359
  276    H    GLY  37           H        GLY  37   5.846 -14.854   4.438
  277    HA2  GLY  37           2HA      GLY  37   4.597 -15.753   1.868
  278    HA3  GLY  37           3HA      GLY  37   5.401 -16.909   2.932
  279    H    LEU  38           H        LEU  38   3.449 -14.198   4.124
  280    HA   LEU  38           HA       LEU  38   1.684 -16.064   5.623
  281    HB2  LEU  38           2HB      LEU  38   2.159 -13.063   5.662
  282    HB3  LEU  38           3HB      LEU  38   0.919 -13.827   6.631
  283    HG   LEU  38           HG       LEU  38   2.713 -13.341   8.039
  284   HD11  LEU  38          1HD1      LEU  38   2.800 -16.341   7.554
  285   HD12  LEU  38          2HD1      LEU  38   3.177 -15.481   9.056
  286   HD13  LEU  38          3HD1      LEU  38   1.516 -15.480   8.438
  287   HD21  LEU  38          3HD2      LEU  38   4.604 -15.090   6.440
  288   HD22  LEU  38          1HD2      LEU  38   4.572 -13.302   6.379
  289   HD23  LEU  38          2HD2      LEU  38   4.953 -14.142   7.891
  290    H    VAL  39           H        VAL  39  -0.659 -14.613   5.818
  291    HA   VAL  39           HA       VAL  39  -2.189 -15.211   3.461
  292    HB   VAL  39           HB       VAL  39  -3.939 -13.812   4.397
  293   HG11  VAL  39          1HG1      VAL  39  -3.689 -16.150   5.144
  294   HG12  VAL  39          2HG1      VAL  39  -2.675 -15.612   6.501
  295   HG13  VAL  39          3HG1      VAL  39  -4.377 -15.114   6.406
  296   HG21  VAL  39          3HG2      VAL  39  -2.035 -13.148   6.681
  297   HG22  VAL  39          1HG2      VAL  39  -2.603 -12.006   5.439
  298   HG23  VAL  39          2HG2      VAL  39  -3.753 -12.729   6.568
  299    H    ASP  40           H        ASP  40  -3.064 -14.051   1.835
  300    HA   ASP  40           HA       ASP  40  -1.449 -12.613   0.369
  301    HB2  ASP  40           2HB      ASP  40  -4.464 -12.251   0.541
  302    HB3  ASP  40           3HB      ASP  40  -3.474 -11.725  -0.810
  303    H    GLY  41           H        GLY  41  -2.912 -11.379   3.022
  304    HA2  GLY  41           2HA      GLY  41  -3.087  -8.464   2.291
  305    HA3  GLY  41           3HA      GLY  41  -3.841  -9.251   3.552
  306    H    LEU  42           H        LEU  42  -0.358  -9.888   3.097
  307    HA   LEU  42           HA       LEU  42   0.235  -8.080   5.404
  308    HB2  LEU  42           2HB      LEU  42   1.576 -10.510   4.250
  309    HB3  LEU  42           3HB      LEU  42   2.613  -9.278   4.946
  310    HG   LEU  42           HG       LEU  42   2.132 -11.038   6.529
  311   HD11  LEU  42          1HD1      LEU  42   2.650  -8.834   7.395
  312   HD12  LEU  42          2HD1      LEU  42   0.940  -8.393   7.405
  313   HD13  LEU  42          3HD1      LEU  42   1.529  -9.692   8.458
  314   HD21  LEU  42          3HD2      LEU  42  -0.762 -10.107   6.475
  315   HD22  LEU  42          1HD2      LEU  42  -0.148 -11.628   5.798
  316   HD23  LEU  42          2HD2      LEU  42  -0.062 -11.337   7.546
  317    H    PHE  43           H        PHE  43  -0.343  -6.325   4.169
  318    HA   PHE  43           HA       PHE  43   1.483  -5.617   1.989
  319    HB2  PHE  43           2HB      PHE  43  -0.271  -4.405   1.074
  320    HB3  PHE  43           3HB      PHE  43  -0.907  -5.813   1.614
  321    HD1  PHE  43           HD1      PHE  43  -0.766  -4.080   4.722
  322    HD2  PHE  43           HD2      PHE  43  -2.840  -4.066   0.935
  323    HE1  PHE  43           HE1      PHE  43  -2.603  -2.824   5.734
  324    HE2  PHE  43           HE2      PHE  43  -4.695  -2.811   1.976
  325    HZ   PHE  43           HZ       PHE  43  -4.584  -2.168   4.368
  326    H    LEU  44           H        LEU  44   2.003  -3.327   1.594
  327    HA   LEU  44           HA       LEU  44   2.356  -1.595   3.998
  328    HB2  LEU  44           2HB      LEU  44   4.442  -2.954   3.756
  329    HB3  LEU  44           3HB      LEU  44   4.626  -2.375   2.116
  330    HG   LEU  44           HG       LEU  44   4.890  -0.001   3.059
  331   HD11  LEU  44          1HD1      LEU  44   5.159  -1.567   5.670
  332   HD12  LEU  44          2HD1      LEU  44   5.514   0.161   5.437
  333   HD13  LEU  44          3HD1      LEU  44   3.850  -0.421   5.296
  334   HD21  LEU  44          3HD2      LEU  44   7.185  -0.365   3.763
  335   HD22  LEU  44          1HD2      LEU  44   6.883  -2.115   3.930
  336   HD23  LEU  44          2HD2      LEU  44   6.791  -1.337   2.335
  337    H    VAL  45           H        VAL  45   2.337   0.686   3.519
  338    HA   VAL  45           HA       VAL  45   1.427   1.319   0.758
  339    HB   VAL  45           HB       VAL  45   1.237   3.194   3.122
  340   HG11  VAL  45          1HG1      VAL  45  -0.376   2.964   0.521
  341   HG12  VAL  45          2HG1      VAL  45  -0.574   4.199   1.773
  342   HG13  VAL  45          3HG1      VAL  45   0.904   4.154   0.809
  343   HG21  VAL  45          3HG2      VAL  45  -1.103   2.489   3.350
  344   HG22  VAL  45          1HG2      VAL  45  -0.839   1.184   2.188
  345   HG23  VAL  45          2HG2      VAL  45  -0.002   1.170   3.759
  346    H    ARG  46           H        ARG  46   3.628   1.044  -0.018
  347    HA   ARG  46           HA       ARG  46   5.404   3.446   0.453
  348    HB2  ARG  46           2HB      ARG  46   7.288   2.052  -0.364
  349    HB3  ARG  46           3HB      ARG  46   6.613   1.407   1.106
  350    HG2  ARG  46           2HG      ARG  46   7.305  -0.337  -0.455
  351    HG3  ARG  46           3HG      ARG  46   5.618  -0.452  -0.016
  352    HD2  ARG  46           2HD      ARG  46   6.129  -1.060  -2.375
  353    HD3  ARG  46           3HD      ARG  46   4.893   0.178  -2.195
  354    HE   ARG  46           HE       ARG  46   7.367   1.505  -2.600
  355   HH11  ARG  46          1HH2      ARG  46   5.587  -0.603  -4.818
  356   HH12  ARG  46          2HH2      ARG  46   5.980   0.573  -6.105
  357   HH21  ARG  46          1HH1      ARG  46   7.841   2.623  -4.304
  358   HH22  ARG  46          2HH1      ARG  46   6.966   2.230  -5.807
  359    H    GLU  47           H        GLU  47   6.643   4.207  -1.242
  360    HA   GLU  47           HA       GLU  47   5.400   3.868  -3.857
  361    HB2  GLU  47           2HB      GLU  47   5.108   6.534  -3.910
  362    HB3  GLU  47           3HB      GLU  47   3.844   5.496  -3.349
  363    HG2  GLU  47           2HG      GLU  47   5.763   6.783  -1.392
  364    HG3  GLU  47           3HG      GLU  47   4.354   7.623  -2.002
  365    HE2  GLU  47           2HE      GLU  47   3.833   5.243   0.989
  366    H    SER  48           H        SER  48   6.560   6.213  -4.968
  367    HA   SER  48           HA       SER  48   9.434   5.855  -4.466
  368    HB2  SER  48           2HB      SER  48   8.740   4.294  -6.289
  369    HB3  SER  48           3HB      SER  48   8.232   5.709  -7.243
  370    HG   SER  48           HG       SER  48  10.452   4.961  -7.557
  371    H    GLN  49           H        GLN  49  10.617   7.538  -5.140
  372    HA   GLN  49           HA       GLN  49   9.246  10.086  -5.721
  373    HB2  GLN  49           2HB      GLN  49  11.167  11.124  -4.789
  374    HB3  GLN  49           3HB      GLN  49  10.714   9.778  -3.734
  375    HG2  GLN  49           2HG      GLN  49  13.070   9.798  -3.844
  376    HG3  GLN  49           3HG      GLN  49  12.527   8.396  -4.747
  377   HE21  GLN  49          1HE2      GLN  49  13.369   8.148  -6.871
  378   HE22  GLN  49          2HE2      GLN  49  14.240   9.433  -7.680
  379    H    ARG  50           H        ARG  50  10.089   7.575  -7.461
  380    HA   ARG  50           HA       ARG  50  11.083   8.954  -9.880
  381    HB2  ARG  50           2HB      ARG  50  12.195   6.831  -9.153
  382    HB3  ARG  50           3HB      ARG  50  10.671   5.975  -9.397
  383    HG2  ARG  50           2HG      ARG  50  12.109   5.598 -11.284
  384    HG3  ARG  50           3HG      ARG  50  10.710   6.538 -11.806
  385    HD2  ARG  50           2HD      ARG  50  12.068   8.600 -11.804
  386    HD3  ARG  50           3HD      ARG  50  13.460   7.694 -11.168
  387    HE   ARG  50           HE       ARG  50  12.582   6.441 -13.569
  388   HH11  ARG  50          1HH1      ARG  50  14.161   9.430 -12.644
  389   HH12  ARG  50          2HH1      ARG  50  14.969   9.589 -14.178
  390   HH21  ARG  50          1HH2      ARG  50  13.643   6.702 -15.510
  391   HH22  ARG  50          2HH2      ARG  50  14.678   8.077 -15.759
  392    H    ASN  51           H        ASN  51   8.312   6.354  -9.515
  393    HA   ASN  51           HA       ASN  51   6.991   7.508 -11.644
  394    HB2  ASN  51           2HB      ASN  51   6.061   5.802  -9.368
  395    HB3  ASN  51           3HB      ASN  51   4.906   6.455 -10.540
  396   HD21  ASN  51          2HD2      ASN  51   7.601   4.274 -10.146
  397   HD22  ASN  51          1HD2      ASN  51   7.697   3.777 -11.830
  398    HA   PRO  52           HA       PRO  52   6.470  11.418  -9.689
  399    HB2  PRO  52           2HB      PRO  52   5.213  12.914 -11.612
  400    HB3  PRO  52           3HB      PRO  52   6.866  12.253 -11.798
  401    HG2  PRO  52           2HG      PRO  52   4.262  11.042 -12.803
  402    HG3  PRO  52           3HG      PRO  52   5.767  11.351 -13.730
  403    HD2  PRO  52           2HD      PRO  52   5.253   8.908 -12.678
  404    HD3  PRO  52           3HD      PRO  52   6.909   9.589 -12.649
  405    H    GLN  53           H        GLN  53   3.653   9.646 -10.305
  406    HA   GLN  53           HA       GLN  53   1.802  11.392  -8.703
  407    HB2  GLN  53           2HB      GLN  53   1.324   9.550 -11.060
  408    HB3  GLN  53           3HB      GLN  53   0.057  10.314 -10.091
  409    HG2  GLN  53           2HG      GLN  53   0.852  12.550 -10.706
  410    HG3  GLN  53           3HG      GLN  53   2.187  11.871 -11.631
  411   HE21  GLN  53          2HE2      GLN  53   0.514  13.650 -12.900
  412   HE22  GLN  53          1HE2      GLN  53  -0.458  12.770 -14.070
  413    H    GLY  54           H        GLY  54   3.755   9.455  -7.531
  414    HA2  GLY  54           2HA      GLY  54   2.107   7.128  -7.084
  415    HA3  GLY  54           3HA      GLY  54   3.753   7.172  -6.712
  416    H    PHE  55           H        PHE  55   1.127   6.512  -5.713
  417    HA   PHE  55           HA       PHE  55   1.573   6.510  -2.806
  418    HB2  PHE  55           2HB      PHE  55  -1.169   7.247  -3.956
  419    HB3  PHE  55           3HB      PHE  55  -0.682   7.237  -2.269
  420    HD1  PHE  55           HD2      PHE  55   0.673   9.134  -1.357
  421    HD2  PHE  55           HD1      PHE  55  -0.623   9.065  -5.474
  422    HE1  PHE  55           HE2      PHE  55   1.246  11.541  -1.586
  423    HE2  PHE  55           HE1      PHE  55  -0.013  11.458  -5.710
  424    HZ   PHE  55           HZ       PHE  55   0.912  12.704  -3.760
  425    H    VAL  56           H        VAL  56   2.208   4.305  -3.559
  426    HA   VAL  56           HA       VAL  56   0.127   2.457  -4.489
  427    HB   VAL  56           HB       VAL  56   1.743   1.532  -5.676
  428   HG11  VAL  56          1HG1      VAL  56   4.237   2.287  -5.381
  429   HG12  VAL  56          2HG1      VAL  56   3.074   3.482  -5.954
  430   HG13  VAL  56          3HG1      VAL  56   3.567   3.458  -4.292
  431   HG21  VAL  56          3HG2      VAL  56   3.651   0.351  -4.677
  432   HG22  VAL  56          1HG2      VAL  56   3.098   0.812  -3.080
  433   HG23  VAL  56          2HG2      VAL  56   2.098  -0.187  -4.153
  434    H    LEU  57           H        LEU  57  -0.297   0.516  -3.653
  435    HA   LEU  57           HA       LEU  57   0.310   0.010  -0.802
  436    HB2  LEU  57           2HB      LEU  57  -2.241   0.174  -2.144
  437    HB3  LEU  57           3HB      LEU  57  -1.935  -1.535  -1.862
  438    HG   LEU  57           HG       LEU  57  -2.031   0.703   0.203
  439   HD11  LEU  57          1HD1      LEU  57  -4.198  -0.129  -0.654
  440   HD12  LEU  57          2HD1      LEU  57  -3.734  -1.792  -0.228
  441   HD13  LEU  57          3HD1      LEU  57  -3.958  -0.568   1.040
  442   HD21  LEU  57          3HD2      LEU  57  -1.798  -1.206   1.873
  443   HD22  LEU  57          1HD2      LEU  57  -1.241  -2.218   0.515
  444   HD23  LEU  57          2HD2      LEU  57  -0.320  -0.794   1.031
  445    H    SER  58           H        SER  58   1.358  -2.036  -0.480
  446    HA   SER  58           HA       SER  58   2.163  -3.437  -3.023
  447    HB2  SER  58           2HB      SER  58   4.340  -3.878  -2.005
  448    HB3  SER  58           3HB      SER  58   4.033  -2.154  -2.271
  449    HG   SER  58           HG       SER  58   3.448  -2.036  -0.018
  450    H    LEU  59           H        LEU  59   1.322  -5.412  -3.033
  451    HA   LEU  59           HA       LEU  59   0.113  -6.425  -0.514
  452    HB2  LEU  59           2HB      LEU  59  -0.230  -7.402  -3.372
  453    HB3  LEU  59           3HB      LEU  59  -1.282  -7.730  -1.999
  454    HG   LEU  59           HG       LEU  59  -0.900  -5.004  -3.347
  455   HD11  LEU  59          1HD1      LEU  59  -2.103  -6.607  -4.755
  456   HD12  LEU  59          2HD1      LEU  59  -3.257  -6.900  -3.434
  457   HD13  LEU  59          3HD1      LEU  59  -3.153  -5.299  -4.187
  458   HD21  LEU  59          3HD2      LEU  59  -2.776  -5.867  -1.105
  459   HD22  LEU  59          1HD2      LEU  59  -1.456  -4.675  -1.002
  460   HD23  LEU  59          2HD2      LEU  59  -2.876  -4.326  -1.991
  461    H    CYS  60           H        CYS  60   0.262  -8.695   0.083
  462    HA   CYS  60           HA       CYS  60   2.837  -9.951  -0.832
  463    HB2  CYS  60           2HB      CYS  60   3.303  -9.014   1.433
  464    HB3  CYS  60           3HB      CYS  60   2.010 -10.059   2.062
  465    HG   CYS  60           HG       CYS  60   5.001 -10.596   0.856
  466    H    HIS  61           H        HIS  61   1.207 -10.625  -2.302
  467    HA   HIS  61           HA       HIS  61  -1.035 -12.071  -1.371
  468    HB2  HIS  61           2HB      HIS  61  -1.634 -10.921  -3.110
  469    HB3  HIS  61           3HB      HIS  61  -0.034 -10.925  -3.744
  470    HD2  HIS  61           HD2      HIS  61  -3.315 -12.831  -4.180
  471    HE1  HIS  61           HE1      HIS  61  -0.715 -13.958  -7.357
  472    HE2  HIS  61           HE2      HIS  61  -3.086 -14.139  -6.452
  473    H    LEU  62           H        LEU  62  -1.214 -14.135  -3.168
  474    HA   LEU  62           HA       LEU  62   0.781 -16.098  -2.039
  475    HB2  LEU  62           2HB      LEU  62  -0.824 -17.591  -1.465
  476    HB3  LEU  62           3HB      LEU  62  -1.850 -16.174  -1.418
  477    HG   LEU  62           HG       LEU  62  -1.647 -18.281  -3.612
  478   HD11  LEU  62          1HD1      LEU  62  -3.951 -17.382  -1.855
  479   HD12  LEU  62          2HD1      LEU  62  -3.993 -18.678  -3.069
  480   HD13  LEU  62          3HD1      LEU  62  -2.980 -18.852  -1.628
  481   HD21  LEU  62          3HD2      LEU  62  -1.947 -16.132  -4.765
  482   HD22  LEU  62          1HD2      LEU  62  -3.420 -17.105  -4.837
  483   HD23  LEU  62          2HD2      LEU  62  -3.319 -15.748  -3.702
  484    H    GLN  63           H        GLN  63   0.875 -14.787  -4.675
  485    HA   GLN  63           HA       GLN  63   2.690 -16.851  -4.950
  486    HB2  GLN  63           2HB      GLN  63   2.302 -17.525  -7.401
  487    HB3  GLN  63           3HB      GLN  63   1.013 -18.022  -6.319
  488    HG2  GLN  63           2HG      GLN  63  -0.409 -16.195  -7.056
  489    HG3  GLN  63           3HG      GLN  63   0.904 -15.516  -8.044
  490   HE21  GLN  63          2HE2      GLN  63  -1.214 -18.437  -7.704
  491   HE22  GLN  63          1HE2      GLN  63  -1.120 -18.847  -9.411
  492    H    LYS  64           H        LYS  64   1.928 -13.692  -5.526
  493    HA   LYS  64           HA       LYS  64   4.733 -13.182  -6.100
  494    HB2  LYS  64           2HB      LYS  64   4.378 -11.779  -8.048
  495    HB3  LYS  64           3HB      LYS  64   3.608 -13.330  -8.348
  496    HG2  LYS  64           2HG      LYS  64   1.490 -11.918  -7.266
  497    HG3  LYS  64           3HG      LYS  64   2.399 -10.611  -8.012
  498    HD2  LYS  64           2HD      LYS  64   1.424 -13.143  -9.418
  499    HD3  LYS  64           3HD      LYS  64   0.687 -11.541  -9.545
  500    HE2  LYS  64           2HE      LYS  64   2.737 -10.639 -10.584
  501    HE3  LYS  64           3HE      LYS  64   3.537 -12.211 -10.418
  502    HZ1  LYS  64           3HZ      LYS  64   1.853 -13.159 -11.913
  503    HZ2  LYS  64           1HZ      LYS  64   1.117 -11.707 -12.083
  504    HZ3  LYS  64           2HZ      LYS  64   2.631 -11.932 -12.653
  505    H    VAL  65           H        VAL  65   5.083 -10.644  -6.032
  506    HA   VAL  65           HA       VAL  65   3.131  -9.400  -4.145
  507    HB   VAL  65           HB       VAL  65   4.796  -8.357  -2.835
  508   HG11  VAL  65          1HG1      VAL  65   3.980 -10.778  -2.394
  509   HG12  VAL  65          2HG1      VAL  65   5.580 -11.288  -2.933
  510   HG13  VAL  65          3HG1      VAL  65   5.413 -10.214  -1.522
  511   HG21  VAL  65          3HG2      VAL  65   7.170  -8.978  -2.904
  512   HG22  VAL  65          1HG2      VAL  65   6.901  -9.846  -4.438
  513   HG23  VAL  65          2HG2      VAL  65   6.638  -8.087  -4.326
  514    H    LYS  66           H        LYS  66   2.154  -7.895  -5.114
  515    HA   LYS  66           HA       LYS  66   3.497  -6.291  -7.251
  516    HB2  LYS  66           2HB      LYS  66   1.380  -6.327  -8.522
  517    HB3  LYS  66           3HB      LYS  66   2.138  -7.907  -8.359
  518    HG2  LYS  66           2HG      LYS  66   0.526  -8.520  -6.570
  519    HG3  LYS  66           3HG      LYS  66  -0.244  -6.927  -6.723
  520    HD2  LYS  66           2HD      LYS  66  -0.820  -7.413  -9.066
  521    HD3  LYS  66           3HD      LYS  66  -0.021  -8.979  -8.987
  522    HE2  LYS  66           2HE      LYS  66  -2.309  -8.213  -7.113
  523    HE3  LYS  66           3HE      LYS  66  -2.607  -8.863  -8.728
  524    HZ1  LYS  66           3HZ      LYS  66  -1.032 -10.329  -6.647
  525    HZ2  LYS  66           1HZ      LYS  66  -2.596 -10.629  -7.029
  526    HZ3  LYS  66           2HZ      LYS  66  -1.436 -10.887  -8.141
  527    H    HIS  67           H        HIS  67   2.443  -4.285  -7.772
  528    HA   HIS  67           HA       HIS  67   1.777  -2.862  -5.239
  529    HB2  HIS  67           2HB      HIS  67   3.234  -1.960  -7.735
  530    HB3  HIS  67           3HB      HIS  67   2.915  -0.958  -6.329
  531    HD2  HIS  67           HD2      HIS  67   4.991  -4.027  -7.424
  532    HE1  HIS  67           HE1      HIS  67   6.295  -3.092  -3.489
  533    HE2  HIS  67           HE2      HIS  67   6.793  -4.462  -5.564
  534    H    TYR  68           H        TYR  68   0.438  -0.981  -5.336
  535    HA   TYR  68           HA       TYR  68  -1.860  -1.360  -7.190
  536    HB2  TYR  68           2HB      TYR  68  -1.771  -1.798  -4.624
  537    HB3  TYR  68           3HB      TYR  68  -1.944  -0.056  -4.488
  538    HD1  TYR  68           HD1      TYR  68  -3.462  -3.156  -5.921
  539    HD2  TYR  68           HD2      TYR  68  -4.135   0.834  -4.441
  540    HE1  TYR  68           HE1      TYR  68  -5.923  -3.548  -5.948
  541    HE2  TYR  68           HE2      TYR  68  -6.576   0.447  -4.480
  542    HH   TYR  68           HH       TYR  68  -8.265  -1.030  -4.960
  543    H    LEU  69           H        LEU  69   0.423   0.872  -7.617
  544    HA   LEU  69           HA       LEU  69  -1.365   3.275  -7.490
  545    HB2  LEU  69           2HB      LEU  69   0.442   3.424  -6.190
  546    HB3  LEU  69           3HB      LEU  69   1.572   2.867  -7.431
  547    HG   LEU  69           HG       LEU  69   1.679   5.167  -6.708
  548   HD11  LEU  69          1HD1      LEU  69   2.362   4.239  -9.040
  549   HD12  LEU  69          2HD1      LEU  69   1.116   5.349  -9.644
  550   HD13  LEU  69          3HD1      LEU  69   2.480   5.964  -8.732
  551   HD21  LEU  69          3HD2      LEU  69  -0.928   5.386  -6.604
  552   HD22  LEU  69          1HD2      LEU  69  -0.010   6.795  -7.066
  553   HD23  LEU  69          2HD2      LEU  69  -0.795   5.875  -8.307
  554    H    ILE  70           H        ILE  70  -1.911   4.339  -9.377
  555    HA   ILE  70           HA       ILE  70   0.065   4.532 -11.540
  556    HB   ILE  70           HB       ILE  70  -2.707   3.553 -12.276
  557   HG12  ILE  70          2HG1      ILE  70   0.151   2.472 -12.453
  558   HG13  ILE  70          3HG1      ILE  70  -1.208   1.761 -11.560
  559   HG21  ILE  70          1HG2      ILE  70  -0.375   4.332 -14.104
  560   HG22  ILE  70          2HG2      ILE  70  -1.984   3.766 -14.608
  561   HG23  ILE  70          3HG2      ILE  70  -1.803   5.339 -13.869
  562   HD11  ILE  70          3HD1      ILE  70  -0.786   1.779 -14.535
  563   HD12  ILE  70          1HD1      ILE  70  -0.675   0.457 -13.356
  564   HD13  ILE  70          2HD1      ILE  70  -2.255   1.182 -13.712
  565    H    LEU  71           H        LEU  71  -3.092   5.694 -10.229
  566    HA   LEU  71           HA       LEU  71  -2.414   8.349 -11.433
  567    HB2  LEU  71           2HB      LEU  71  -5.175   7.482 -10.628
  568    HB3  LEU  71           3HB      LEU  71  -4.745   8.631 -11.873
  569    HG   LEU  71           HG       LEU  71  -4.403   5.594 -12.141
  570   HD11  LEU  71          1HD1      LEU  71  -6.720   5.940 -11.826
  571   HD12  LEU  71          2HD1      LEU  71  -6.740   7.331 -12.944
  572   HD13  LEU  71          3HD1      LEU  71  -6.446   5.684 -13.549
  573   HD21  LEU  71          3HD2      LEU  71  -3.082   7.144 -13.717
  574   HD22  LEU  71          1HD2      LEU  71  -4.108   5.889 -14.452
  575   HD23  LEU  71          2HD2      LEU  71  -4.650   7.595 -14.398
  576    HA   PRO  72           HA       PRO  72  -2.722  10.121  -7.333
  577    HB2  PRO  72           2HB      PRO  72  -2.389  12.720  -7.915
  578    HB3  PRO  72           3HB      PRO  72  -1.158  11.533  -8.430
  579    HG2  PRO  72           2HG      PRO  72  -3.434  12.694 -10.080
  580    HG3  PRO  72           3HG      PRO  72  -1.703  12.596 -10.514
  581    HD2  PRO  72           2HD      PRO  72  -3.620  10.707 -11.250
  582    HD3  PRO  72           3HD      PRO  72  -1.885  10.349 -11.075
  583    H    SER  73           H        SER  73  -3.928  12.238  -6.323
  584    HA   SER  73           HA       SER  73  -6.730  11.787  -6.349
  585    HB2  SER  73           2HB      SER  73  -5.150  14.190  -5.390
  586    HB3  SER  73           3HB      SER  73  -6.882  13.931  -5.087
  587    HG   SER  73           HG       SER  73  -5.471  13.160  -3.391
  588    H    GLU  74           H        GLU  74  -8.485  12.940  -7.172
  589    HA   GLU  74           HA       GLU  74  -7.937  14.596  -9.614
  590    HB2  GLU  74           2HB      GLU  74 -10.108  12.505  -9.175
  591    HB3  GLU  74           3HB      GLU  74  -9.821  13.417 -10.654
  592    HG2  GLU  74           2HG      GLU  74  -7.962  11.326  -9.452
  593    HG3  GLU  74           3HG      GLU  74  -8.986  11.136 -10.863
  594    HE2  GLU  74           2HE      GLU  74  -6.015  11.362 -10.144
  595    H    GLU  75           H        GLU  75 -10.371  15.425 -10.319
  596    HA   GLU  75           HA       GLU  75 -11.362  17.083  -8.040
  597    HB2  GLU  75           2HB      GLU  75 -11.806  17.280 -11.042
  598    HB3  GLU  75           3HB      GLU  75 -12.493  18.370  -9.832
  599    HG2  GLU  75           2HG      GLU  75 -10.193  18.983  -9.084
  600    HG3  GLU  75           3HG      GLU  75  -9.520  17.977 -10.372
  601    H    GLU  76           H        GLU  76 -12.307  14.276  -9.811
  602    HA   GLU  76           HA       GLU  76 -15.079  14.422  -8.700
  603    HB2  GLU  76           2HB      GLU  76 -15.780  12.932 -10.434
  604    HB3  GLU  76           3HB      GLU  76 -14.952  14.313 -11.146
  605    HG2  GLU  76           2HG      GLU  76 -12.888  12.925 -11.420
  606    HG3  GLU  76           3HG      GLU  76 -13.739  11.544 -10.727
  607    H    GLY  77           H        GLY  77 -12.314  13.358  -7.590
  608    HA2  GLY  77           2HA      GLY  77 -13.323  11.495  -5.742
  609    HA3  GLY  77           3HA      GLY  77 -12.566  10.561  -7.034
  610    H    ARG  78           H        ARG  78 -11.538  10.276  -4.598
  611    HA   ARG  78           HA       ARG  78  -9.283  12.143  -4.069
  612    HB2  ARG  78           2HB      ARG  78 -10.012   9.598  -2.623
  613    HB3  ARG  78           3HB      ARG  78  -8.971  10.866  -2.040
  614    HG2  ARG  78           2HG      ARG  78 -11.989  11.088  -2.482
  615    HG3  ARG  78           3HG      ARG  78 -11.188  10.845  -0.941
  616    HD2  ARG  78           2HD      ARG  78 -10.867  13.290  -2.731
  617    HD3  ARG  78           3HD      ARG  78 -11.831  13.194  -1.243
  618    HE   ARG  78           HE       ARG  78  -9.194  12.357  -0.626
  619   HH11  ARG  78          1HH2      ARG  78 -10.811  15.337  -1.499
  620   HH12  ARG  78          2HH2      ARG  78  -9.641  16.341  -0.685
  621   HH21  ARG  78          1HH1      ARG  78  -7.709  13.705   0.407
  622   HH22  ARG  78          2HH1      ARG  78  -7.933  15.427   0.371
  623    H    LEU  79           H        LEU  79  -7.668   9.729  -3.015
  624    HA   LEU  79           HA       LEU  79  -5.849   9.423  -5.178
  625    HB2  LEU  79           2HB      LEU  79  -6.412   7.656  -2.772
  626    HB3  LEU  79           3HB      LEU  79  -5.107   7.341  -3.910
  627    HG   LEU  79           HG       LEU  79  -5.349   9.879  -2.239
  628   HD11  LEU  79          1HD1      LEU  79  -3.476   8.926  -0.953
  629   HD12  LEU  79          2HD1      LEU  79  -4.892   7.863  -0.878
  630   HD13  LEU  79          3HD1      LEU  79  -3.527   7.450  -1.942
  631   HD21  LEU  79          3HD2      LEU  79  -2.954  10.195  -2.925
  632   HD22  LEU  79          1HD2      LEU  79  -3.124   8.832  -4.052
  633   HD23  LEU  79          2HD2      LEU  79  -4.069  10.321  -4.282
  634    H    TYR  80           H        TYR  80  -6.198   8.461  -7.149
  635    HA   TYR  80           HA       TYR  80  -8.567   6.861  -7.480
  636    HB2  TYR  80           2HB      TYR  80  -6.944   8.476  -9.181
  637    HB3  TYR  80           3HB      TYR  80  -7.114   6.881  -9.888
  638    HD1  TYR  80           HD1      TYR  80  -9.213   9.538  -8.261
  639    HD2  TYR  80           HD2      TYR  80  -8.983   6.392 -11.209
  640    HE1  TYR  80           HE1      TYR  80 -11.462  10.176  -9.128
  641    HE2  TYR  80           HE2      TYR  80 -11.223   7.022 -12.061
  642    HH   TYR  80           HH       TYR  80 -12.980   8.476 -11.881
  643    H    PHE  81           H        PHE  81  -8.877   4.802  -8.047
  644    HA   PHE  81           HA       PHE  81  -6.759   3.012  -8.499
  645    HB2  PHE  81           2HB      PHE  81  -8.345   2.243  -6.100
  646    HB3  PHE  81           3HB      PHE  81  -7.003   1.381  -6.834
  647    HD1  PHE  81           HD2      PHE  81  -4.697   2.398  -6.789
  648    HD2  PHE  81           HD1      PHE  81  -7.903   3.982  -4.409
  649    HE1  PHE  81           HE2      PHE  81  -3.036   3.432  -5.227
  650    HE2  PHE  81           HE1      PHE  81  -6.264   4.997  -2.860
  651    HZ   PHE  81           HZ       PHE  81  -3.826   4.733  -3.273
  652    H    SER  82           H        SER  82  -7.132   1.335  -9.718
  653    HA   SER  82           HA       SER  82  -9.902   0.665 -10.519
  654    HB2  SER  82           2HB      SER  82  -7.734   1.527 -12.450
  655    HB3  SER  82           3HB      SER  82  -9.353   0.979 -12.851
  656    HG   SER  82           HG       SER  82 -10.183   2.803 -11.753
  657    H    MET  83           H        MET  83  -7.124  -1.000  -9.644
  658    HA   MET  83           HA       MET  83  -6.573  -3.167 -10.553
  659    HB2  MET  83           2HB      MET  83  -6.999  -2.992  -8.113
  660    HB3  MET  83           3HB      MET  83  -8.718  -3.175  -8.373
  661    HG2  MET  83           2HG      MET  83  -8.500  -5.485  -8.987
  662    HG3  MET  83           3HG      MET  83  -6.748  -5.369  -9.073
  663    HE1  MET  83           3HE      MET  83  -9.240  -4.041  -6.186
  664    HE2  MET  83           1HE      MET  83  -9.924  -5.576  -6.784
  665    HE3  MET  83           2HE      MET  83  -9.231  -5.480  -5.149
  666    H    ASP  84           H        ASP  84  -7.121  -5.122 -11.623
  667    HA   ASP  84           HA       ASP  84  -9.127  -5.114 -13.467
  668    HB2  ASP  84           2HB      ASP  84  -7.760  -7.530 -12.274
  669    HB3  ASP  84           3HB      ASP  84  -8.747  -7.575 -13.724
  670    H    ASP  85           H        ASP  85  -9.747  -6.106 -10.177
  671    HA   ASP  85           HA       ASP  85 -12.582  -6.622 -10.930
  672    HB2  ASP  85           2HB      ASP  85 -11.311  -8.730 -10.343
  673    HB3  ASP  85           3HB      ASP  85 -11.134  -8.084  -8.707
  674    H    GLY  86           H        GLY  86 -11.076  -4.176  -9.954
  675    HA2  GLY  86           2HA      GLY  86 -12.862  -3.446  -7.693
  676    HA3  GLY  86           3HA      GLY  86 -11.129  -3.261  -7.479
  677    H    GLN  87           H        GLN  87 -12.949  -1.240  -7.192
  678    HA   GLN  87           HA       GLN  87 -11.924   0.789  -9.115
  679    HB2  GLN  87           2HB      GLN  87 -14.217   1.817  -9.212
  680    HB3  GLN  87           3HB      GLN  87 -14.094   0.270 -10.037
  681    HG2  GLN  87           2HG      GLN  87 -15.225  -0.892  -8.216
  682    HG3  GLN  87           3HG      GLN  87 -15.223   0.557  -7.213
  683   HE21  GLN  87          2HE2      GLN  87 -16.325  -0.585 -10.480
  684   HE22  GLN  87          1HE2      GLN  87 -17.755   0.435 -10.489
  685    H    THR  88           H        THR  88 -10.707   0.335  -6.783
  686    HA   THR  88           HA       THR  88 -12.072   1.802  -4.739
  687    HB   THR  88           HB       THR  88 -10.605   0.991  -3.088
  688    HG1  THR  88           1HG      THR  88  -8.653   0.986  -3.794
  689   HG21  THR  88          1HG2      THR  88 -12.294  -0.614  -4.130
  690   HG22  THR  88          2HG2      THR  88 -10.959  -1.280  -5.091
  691   HG23  THR  88          3HG2      THR  88 -10.905  -1.376  -3.319
  692    H    ARG  89           H        ARG  89 -10.463   3.222  -6.793
  693    HA   ARG  89           HA       ARG  89  -9.356   5.412  -6.140
  694    HB2  ARG  89           2HB      ARG  89 -10.759   6.723  -7.703
  695    HB3  ARG  89           3HB      ARG  89 -10.582   5.093  -8.317
  696    HG2  ARG  89           2HG      ARG  89 -12.815   4.510  -7.886
  697    HG3  ARG  89           3HG      ARG  89 -13.012   5.730  -6.633
  698    HD2  ARG  89           2HD      ARG  89 -12.628   7.446  -8.541
  699    HD3  ARG  89           3HD      ARG  89 -13.030   6.108  -9.635
  700    HE   ARG  89           HE       ARG  89 -15.145   5.951  -8.051
  701   HH11  ARG  89          1HH1      ARG  89 -13.819   8.913  -9.383
  702   HH12  ARG  89          2HH1      ARG  89 -15.052   9.914  -8.659
  703   HH21  ARG  89          1HH2      ARG  89 -16.869   7.251  -7.430
  704   HH22  ARG  89          2HH2      ARG  89 -16.851   8.946  -7.816
  705    H    PHE  90           H        PHE  90 -10.082   5.189  -3.594
  706    HA   PHE  90           HA       PHE  90 -11.014   7.904  -2.933
  707    HB2  PHE  90           2HB      PHE  90 -12.901   6.238  -2.629
  708    HB3  PHE  90           3HB      PHE  90 -11.918   5.434  -1.411
  709    HD1  PHE  90           HD1      PHE  90 -13.462   8.731  -2.340
  710    HD2  PHE  90           HD2      PHE  90 -11.972   6.241   0.856
  711    HE1  PHE  90           HE1      PHE  90 -14.276  10.381  -0.670
  712    HE2  PHE  90           HE2      PHE  90 -12.782   7.898   2.518
  713    HZ   PHE  90           HZ       PHE  90 -13.928   9.972   1.761
  714    H    THR  91           H        THR  91 -10.284   8.469  -0.617
  715    HA   THR  91           HA       THR  91  -7.492   8.048  -0.289
  716    HB   THR  91           HB       THR  91  -9.493   8.782   1.889
  717    HG1  THR  91           1HG      THR  91  -9.297  10.841   1.239
  718   HG21  THR  91          1HG2      THR  91  -7.628  10.205   2.742
  719   HG22  THR  91          2HG2      THR  91  -7.196   8.494   2.753
  720   HG23  THR  91          3HG2      THR  91  -6.568   9.558   1.469
  721    H    ASP  92           H        ASP  92  -6.318   6.575   1.018
  722    HA   ASP  92           HA       ASP  92  -7.900   4.391   2.346
  723    HB2  ASP  92           2HB      ASP  92  -7.078   3.806   0.100
  724    HB3  ASP  92           3HB      ASP  92  -5.424   4.127   0.627
  725    H    LEU  93           H        LEU  93  -4.787   6.210   2.582
  726    HA   LEU  93           HA       LEU  93  -3.635   4.535   4.519
  727    HB2  LEU  93           2HB      LEU  93  -2.490   6.267   3.145
  728    HB3  LEU  93           3HB      LEU  93  -3.277   7.532   4.090
  729    HG   LEU  93           HG       LEU  93  -2.033   6.804   6.115
  730   HD11  LEU  93          1HD1      LEU  93  -1.670   4.410   5.615
  731   HD12  LEU  93          2HD1      LEU  93  -0.650   4.846   4.222
  732   HD13  LEU  93          3HD1      LEU  93  -0.129   5.228   5.878
  733   HD21  LEU  93          3HD2      LEU  93  -1.112   8.534   4.615
  734   HD22  LEU  93          1HD2      LEU  93   0.168   7.588   5.382
  735   HD23  LEU  93          2HD2      LEU  93  -0.259   7.281   3.685
  736    H    LEU  94           H        LEU  94  -6.016   7.100   5.123
  737    HA   LEU  94           HA       LEU  94  -5.631   6.957   8.050
  738    HB2  LEU  94           2HB      LEU  94  -7.828   8.267   6.399
  739    HB3  LEU  94           3HB      LEU  94  -7.579   8.460   8.129
  740    HG   LEU  94           HG       LEU  94  -5.656   9.383   5.945
  741   HD11  LEU  94          1HD1      LEU  94  -7.735  10.700   6.082
  742   HD12  LEU  94          2HD1      LEU  94  -7.471  10.952   7.823
  743   HD13  LEU  94          3HD1      LEU  94  -6.340  11.638   6.635
  744   HD21  LEU  94          3HD2      LEU  94  -4.386   8.829   7.969
  745   HD22  LEU  94          1HD2      LEU  94  -4.494  10.580   7.791
  746   HD23  LEU  94          2HD2      LEU  94  -5.531   9.750   8.972
  747    H    GLN  95           H        GLN  95  -7.835   5.537   5.633
  748    HA   GLN  95           HA       GLN  95  -9.713   4.388   7.428
  749    HB2  GLN  95           2HB      GLN  95  -8.928   4.049   4.482
  750    HB3  GLN  95           3HB      GLN  95 -10.271   3.264   5.242
  751    HG2  GLN  95           2HG      GLN  95 -11.213   5.111   4.135
  752    HG3  GLN  95           3HG      GLN  95 -11.234   5.520   5.843
  753   HE21  GLN  95          2HE2      GLN  95 -11.531   7.777   4.990
  754   HE22  GLN  95          1HE2      GLN  95 -10.086   8.661   4.525
  755    H    LEU  96           H        LEU  96  -6.770   3.206   5.802
  756    HA   LEU  96           HA       LEU  96  -6.836   0.471   6.288
  757    HB2  LEU  96           2HB      LEU  96  -5.260   1.646   4.887
  758    HB3  LEU  96           3HB      LEU  96  -4.531   2.476   6.252
  759    HG   LEU  96           HG       LEU  96  -4.435  -0.557   6.009
  760   HD11  LEU  96          1HD1      LEU  96  -2.227  -0.249   4.899
  761   HD12  LEU  96          2HD1      LEU  96  -3.540   0.415   3.923
  762   HD13  LEU  96          3HD1      LEU  96  -2.508   1.506   4.870
  763   HD21  LEU  96          3HD2      LEU  96  -2.615   1.481   7.386
  764   HD22  LEU  96          1HD2      LEU  96  -3.630   0.270   8.194
  765   HD23  LEU  96          2HD2      LEU  96  -2.262  -0.251   7.234
  766    H    VAL  97           H        VAL  97  -5.786   3.024   8.561
  767    HA   VAL  97           HA       VAL  97  -4.698   1.490  10.627
  768    HB   VAL  97           HB       VAL  97  -6.504   3.923  10.970
  769   HG11  VAL  97          1HG1      VAL  97  -4.361   2.748  12.801
  770   HG12  VAL  97          2HG1      VAL  97  -5.194   4.299  13.049
  771   HG13  VAL  97          3HG1      VAL  97  -6.109   2.793  13.127
  772   HG21  VAL  97          3HG2      VAL  97  -3.481   3.720  10.590
  773   HG22  VAL  97          1HG2      VAL  97  -4.638   4.437   9.447
  774   HG23  VAL  97          2HG2      VAL  97  -4.368   5.201  11.009
  775    H    GLU  98           H        GLU  98  -8.167   2.231  10.157
  776    HA   GLU  98           HA       GLU  98  -8.982   0.202  12.175
  777    HB2  GLU  98           2HB      GLU  98 -10.078   2.457  12.115
  778    HB3  GLU  98           3HB      GLU  98 -10.662   2.109  10.493
  779    HG2  GLU  98           2HG      GLU  98 -12.453   1.701  12.021
  780    HG3  GLU  98           3HG      GLU  98 -11.930   0.134  11.425
  781    H    PHE  99           H        PHE  99 -10.525   0.700   9.082
  782    HA   PHE  99           HA       PHE  99 -11.578  -1.775   8.804
  783    HB2  PHE  99           2HB      PHE  99 -10.850   0.139   6.579
  784    HB3  PHE  99           3HB      PHE  99 -12.114  -1.082   6.529
  785    HD1  PHE  99           HD1      PHE  99 -13.921  -0.961   8.487
  786    HD2  PHE  99           HD2      PHE  99 -11.478   2.347   7.188
  787    HE1  PHE  99           HE1      PHE  99 -15.531   0.632   9.505
  788    HE2  PHE  99           HE2      PHE  99 -13.087   3.937   8.209
  789    HZ   PHE  99           HZ       PHE  99 -15.115   3.082   9.373
  790    H    HIS 100           H        HIS 100  -8.258  -1.819   8.594
  791    HA   HIS 100           HA       HIS 100  -7.783  -3.371   6.224
  792    HB2  HIS 100           2HB      HIS 100  -5.722  -4.122   7.319
  793    HB3  HIS 100           3HB      HIS 100  -5.942  -2.398   7.461
  794    HD1  HIS 100           HD1      HIS 100  -6.077  -1.413   9.907
  795    HD2  HIS 100           HD2      HIS 100  -6.033  -5.629   9.659
  796    HE1  HIS 100           HE1      HIS 100  -5.734  -2.284  12.315
  797    HE2  HIS 100           HE2      HIS 100  -5.701  -4.857  12.147
  798    H    GLN 101           H        GLN 101  -8.997  -4.387   9.386
  799    HA   GLN 101           HA       GLN 101  -8.579  -7.197   8.914
  800    HB2  GLN 101           2HB      GLN 101  -9.552  -7.606  11.015
  801    HB3  GLN 101           3HB      GLN 101  -8.506  -6.207  11.151
  802    HG2  GLN 101           2HG      GLN 101 -11.557  -6.111  11.003
  803    HG3  GLN 101           3HG      GLN 101 -10.605  -6.042  12.480
  804   HE21  GLN 101          2HE2      GLN 101  -9.485  -4.007  13.031
  805   HE22  GLN 101          1HE2      GLN 101  -9.670  -2.588  11.982
  806    H    LEU 102           H        LEU 102 -11.150  -5.181   7.815
  807    HA   LEU 102           HA       LEU 102 -12.413  -7.572   6.654
  808    HB2  LEU 102           2HB      LEU 102 -14.584  -7.196   7.303
  809    HB3  LEU 102           3HB      LEU 102 -13.633  -7.092   8.765
  810    HG   LEU 102           HG       LEU 102 -15.008  -4.801   7.287
  811   HD11  LEU 102          1HD1      LEU 102 -15.399  -5.983  10.058
  812   HD12  LEU 102          2HD1      LEU 102 -16.320  -4.646   9.332
  813   HD13  LEU 102          3HD1      LEU 102 -16.438  -6.273   8.644
  814   HD21  LEU 102          3HD2      LEU 102 -13.280  -4.650   9.777
  815   HD22  LEU 102          1HD2      LEU 102 -12.917  -3.898   8.204
  816   HD23  LEU 102          2HD2      LEU 102 -14.303  -3.345   9.146
  817    H    ASN 103           H        ASN 103 -10.677  -5.924   5.426
  818    HA   ASN 103           HA       ASN 103 -11.931  -3.793   3.942
  819    HB2  ASN 103           2HB      ASN 103  -9.463  -4.155   4.757
  820    HB3  ASN 103           3HB      ASN 103  -9.271  -5.135   3.316
  821   HD21  ASN 103          2HD2      ASN 103  -7.565  -3.329   3.072
  822   HD22  ASN 103          1HD2      ASN 103  -8.101  -1.831   2.313
  823    H    ARG 104           H        ARG 104 -10.886  -4.030   1.387
  824    HA   ARG 104           HA       ARG 104 -12.588  -6.052   0.040
  825    HB2  ARG 104           2HB      ARG 104 -10.869  -3.836  -1.150
  826    HB3  ARG 104           3HB      ARG 104 -12.104  -4.774  -1.983
  827    HG2  ARG 104           2HG      ARG 104 -12.559  -2.725   0.225
  828    HG3  ARG 104           3HG      ARG 104 -12.952  -2.569  -1.488
  829    HD2  ARG 104           2HD      ARG 104 -14.577  -4.450  -1.274
  830    HD3  ARG 104           3HD      ARG 104 -14.219  -4.533   0.467
  831    HE   ARG 104           HE       ARG 104 -14.942  -1.858  -0.163
  832   HH11  ARG 104          1HH1      ARG 104 -16.519  -4.981   0.023
  833   HH12  ARG 104          2HH1      ARG 104 -18.074  -4.284   0.393
  834   HH21  ARG 104          1HH2      ARG 104 -16.953  -1.026   0.315
  835   HH22  ARG 104          2HH2      ARG 104 -18.304  -2.093   0.554
  836    H    GLY 105           H        GLY 105  -9.657  -6.404   1.319
  837    HA2  GLY 105           2HA      GLY 105  -7.725  -7.648   0.933
  838    HA3  GLY 105           3HA      GLY 105  -8.832  -8.665   0.037
  839    H    ILE 106           H        ILE 106  -7.202  -9.351  -1.218
  840    HA   ILE 106           HA       ILE 106  -6.195  -7.489  -3.333
  841    HB   ILE 106           HB       ILE 106  -4.436  -8.876  -3.743
  842   HG12  ILE 106          2HG1      ILE 106  -5.314 -11.007  -4.066
  843   HG13  ILE 106          3HG1      ILE 106  -4.068 -11.139  -2.864
  844   HG21  ILE 106          1HG2      ILE 106  -4.286  -7.744  -1.510
  845   HG22  ILE 106          2HG2      ILE 106  -4.746  -9.269  -0.736
  846   HG23  ILE 106          3HG2      ILE 106  -3.254  -9.176  -1.680
  847   HD11  ILE 106          3HD1      ILE 106  -7.076 -11.312  -2.397
  848   HD12  ILE 106          1HD1      ILE 106  -5.868 -12.584  -2.222
  849   HD13  ILE 106          2HD1      ILE 106  -5.884 -11.231  -1.084
  850    H    LEU 107           H        LEU 107  -6.020  -8.579  -5.633
  851    HA   LEU 107           HA       LEU 107  -8.367  -8.874  -6.788
  852    HB2  LEU 107           2HB      LEU 107  -5.653  -9.400  -7.506
  853    HB3  LEU 107           3HB      LEU 107  -6.604 -10.708  -8.190
  854    HG   LEU 107           HG       LEU 107  -7.300  -7.789  -8.610
  855   HD11  LEU 107          1HD1      LEU 107  -6.205  -8.019 -10.794
  856   HD12  LEU 107          2HD1      LEU 107  -5.048  -8.293  -9.494
  857   HD13  LEU 107          3HD1      LEU 107  -5.711  -9.679 -10.394
  858   HD21  LEU 107          3HD2      LEU 107  -9.144  -9.439  -8.973
  859   HD22  LEU 107          1HD2      LEU 107  -8.632  -8.667 -10.478
  860   HD23  LEU 107          2HD2      LEU 107  -8.108 -10.322 -10.108
  861    HA   PRO 108           HA       PRO 108  -9.411 -13.296  -6.641
  862    HB2  PRO 108           2HB      PRO 108  -7.344 -15.248  -6.326
  863    HB3  PRO 108           3HB      PRO 108  -8.006 -14.574  -7.837
  864    HG2  PRO 108           2HG      PRO 108  -5.382 -14.154  -6.926
  865    HG3  PRO 108           3HG      PRO 108  -6.257 -13.105  -8.089
  866    HD2  PRO 108           2HD      PRO 108  -6.027 -12.804  -5.087
  867    HD3  PRO 108           3HD      PRO 108  -5.743 -11.572  -6.328
  868    H    CYS 109           H        CYS 109  -7.011 -13.849  -3.934
  869    HA   CYS 109           HA       CYS 109  -8.845 -15.622  -2.590
  870    HB2  CYS 109           2HB      CYS 109  -5.917 -14.830  -2.302
  871    HB3  CYS 109           3HB      CYS 109  -6.729 -16.057  -1.352
  872    HG   CYS 109           HG       CYS 109  -7.528 -17.561  -3.336
  873    H    LEU 110           H        LEU 110  -7.003 -14.535  -0.143
  874    HA   LEU 110           HA       LEU 110  -9.063 -13.932   1.545
  875    HB2  LEU 110           2HB      LEU 110  -6.101 -13.398   1.575
  876    HB3  LEU 110           3HB      LEU 110  -7.059 -12.644   2.818
  877    HG   LEU 110           HG       LEU 110  -6.003 -14.737   3.537
  878   HD11  LEU 110          1HD1      LEU 110  -8.059 -13.903   4.636
  879   HD12  LEU 110          2HD1      LEU 110  -9.047 -14.913   3.553
  880   HD13  LEU 110          3HD1      LEU 110  -7.923 -15.666   4.697
  881   HD21  LEU 110          3HD2      LEU 110  -6.832 -16.911   2.850
  882   HD22  LEU 110          1HD2      LEU 110  -7.945 -16.177   1.682
  883   HD23  LEU 110          2HD2      LEU 110  -6.182 -16.051   1.446
  884    H    LEU 111           H        LEU 111 -10.244 -12.351   2.220
  885    HA   LEU 111           HA       LEU 111 -10.238  -9.834   0.781
  886    HB2  LEU 111           2HB      LEU 111 -12.397  -9.512   1.446
  887    HB3  LEU 111           3HB      LEU 111 -12.219 -11.195   1.039
  888    HG   LEU 111           HG       LEU 111 -13.705 -11.070   2.844
  889   HD11  LEU 111          1HD1      LEU 111 -11.090 -11.879   4.178
  890   HD12  LEU 111          2HD1      LEU 111 -12.735 -12.388   4.599
  891   HD13  LEU 111          3HD1      LEU 111 -12.037 -12.903   3.059
  892   HD21  LEU 111          3HD2      LEU 111 -13.448  -9.952   4.914
  893   HD22  LEU 111          1HD2      LEU 111 -11.755  -9.548   4.598
  894   HD23  LEU 111          2HD2      LEU 111 -13.034  -8.782   3.645
  895    H    ARG 112           H        ARG 112  -8.677 -10.662   3.642
  896    HA   ARG 112           HA       ARG 112  -8.898  -7.860   4.692
  897    HB2  ARG 112           2HB      ARG 112  -8.723  -8.623   6.910
  898    HB3  ARG 112           3HB      ARG 112 -10.015  -9.524   6.124
  899    HG2  ARG 112           2HG      ARG 112  -8.288 -11.430   5.810
  900    HG3  ARG 112           3HG      ARG 112  -7.231 -10.486   6.868
  901    HD2  ARG 112           2HD      ARG 112  -8.242 -11.893   8.386
  902    HD3  ARG 112           3HD      ARG 112  -9.265 -10.474   8.531
  903    HE   ARG 112           HE       ARG 112  -9.869 -13.051   7.128
  904   HH11  ARG 112          1HH1      ARG 112 -11.286 -10.024   8.320
  905   HH12  ARG 112          2HH1      ARG 112 -12.883 -10.715   8.291
  906   HH21  ARG 112          1HH2      ARG 112 -11.934 -13.782   7.091
  907   HH22  ARG 112          2HH2      ARG 112 -13.240 -12.751   7.580
  908    H    HIS 113           H        HIS 113  -7.195  -6.849   5.554
  909    HA   HIS 113           HA       HIS 113  -4.437  -7.794   4.790
  910    HB2  HIS 113           2HB      HIS 113  -5.395  -4.931   5.003
  911    HB3  HIS 113           3HB      HIS 113  -3.856  -5.535   4.398
  912    HD2  HIS 113           HD2      HIS 113  -3.798  -6.525   1.889
  913    HE1  HIS 113           HE1      HIS 113  -7.462  -4.728   0.705
  914    HE2  HIS 113           HE2      HIS 113  -5.338  -5.834  -0.127
  915    H    CYS 114           H        CYS 114  -2.753  -6.834   6.114
  916    HA   CYS 114           HA       CYS 114  -3.458  -6.533   9.005
  917    HB2  CYS 114           2HB      CYS 114  -1.233  -8.326   7.981
  918    HB3  CYS 114           3HB      CYS 114  -2.002  -8.294   9.560
  919    HG   CYS 114           HG       CYS 114  -3.269  -9.343   6.719
  920    H    CYS 115           H        CYS 115  -0.959  -6.457  10.074
  921    HA   CYS 115           HA       CYS 115   0.315  -4.027   8.872
  922    HB2  CYS 115           2HB      CYS 115   0.402  -5.124  11.712
  923    HB3  CYS 115           3HB      CYS 115   1.321  -3.725  11.127
  924    HG   CYS 115           HG       CYS 115  -1.973  -4.151  11.044
  925    H    THR 116           H        THR 116   2.364  -4.092   8.153
  926    HA   THR 116           HA       THR 116   3.900  -6.670   8.321
  927    HB   THR 116           HB       THR 116   3.871  -4.792   5.942
  928    HG1  THR 116           1HG      THR 116   1.996  -5.373   5.566
  929   HG21  THR 116          1HG2      THR 116   4.550  -7.751   6.247
  930   HG22  THR 116          2HG2      THR 116   4.271  -6.960   4.684
  931   HG23  THR 116          3HG2      THR 116   5.616  -6.437   5.674
  932    H    ARG 117           H        ARG 117   6.234  -6.386   7.556
  933    HA   ARG 117           HA       ARG 117   7.655  -4.513   9.231
  934    HB2  ARG 117           2HB      ARG 117   8.473  -6.788   8.418
  935    HB3  ARG 117           3HB      ARG 117   8.669  -6.078   6.812
  936    HG2  ARG 117           2HG      ARG 117  10.261  -4.367   7.947
  937    HG3  ARG 117           3HG      ARG 117  10.181  -5.405   9.374
  938    HD2  ARG 117           2HD      ARG 117  11.025  -7.301   8.008
  939    HD3  ARG 117           3HD      ARG 117  11.074  -6.270   6.579
  940    HE   ARG 117           HE       ARG 117  12.999  -6.383   8.756
  941   HH11  ARG 117          1HH1      ARG 117  11.830  -4.014   6.334
  942   HH12  ARG 117          2HH1      ARG 117  13.466  -3.351   6.254
  943   HH21  ARG 117          1HH2      ARG 117  14.957  -5.226   8.508
  944   HH22  ARG 117          2HH2      ARG 117  14.964  -3.893   7.348
  945    H    VAL 118           H        VAL 118   8.715  -2.635   8.718
  946    HA   VAL 118           HA       VAL 118   7.792  -0.993   6.505
  947    HB   VAL 118           HB       VAL 118   9.499   0.623   7.343
  948   HG11  VAL 118          1HG1      VAL 118   7.179   0.608   8.193
  949   HG12  VAL 118          2HG1      VAL 118   7.648  -0.515   9.483
  950   HG13  VAL 118          3HG1      VAL 118   8.328   1.122   9.436
  951   HG21  VAL 118          3HG2      VAL 118  11.149  -1.025   8.272
  952   HG22  VAL 118          1HG2      VAL 118  10.702   0.269   9.392
  953   HG23  VAL 118          2HG2      VAL 118  10.020  -1.350   9.604
  954    H    ALA 119           H        ALA 119   9.256   0.095   4.931
  955    HA   ALA 119           HA       ALA 119  10.842  -1.901   3.522
  956    HB1  ALA 119           3HB      ALA 119   9.199  -0.505   2.358
  957    HB2  ALA 119           1HB      ALA 119  10.118   0.959   2.797
  958    HB3  ALA 119           2HB      ALA 119  10.823  -0.262   1.713
  959    H    LEU 120           H        LEU 120  12.092  -1.189   5.962
  960    HA   LEU 120           HA       LEU 120  14.328   0.637   5.353
  961    HB2  LEU 120           2HB      LEU 120  13.032   0.886   7.453
  962    HB3  LEU 120           3HB      LEU 120  13.509  -0.747   7.930
  963    HG   LEU 120           HG       LEU 120  15.884  -0.046   8.014
  964   HD11  LEU 120          1HD1      LEU 120  16.417   2.389   7.978
  965   HD12  LEU 120          2HD1      LEU 120  15.903   1.800   6.396
  966   HD13  LEU 120          3HD1      LEU 120  14.769   2.728   7.400
  967   HD21  LEU 120          3HD2      LEU 120  15.663   1.350  10.030
  968   HD22  LEU 120          1HD2      LEU 120  13.973   1.712   9.607
  969   HD23  LEU 120          2HD2      LEU 120  14.459   0.051  10.019
  970    H2   PRO1135           H2       PRO1135  11.260  -5.046 -13.576
  971    H3   PRO1135           H3       PRO1135  12.272  -5.738 -14.674
  972    HA   PRO1135           HA       PRO1135  11.606  -7.918 -14.105
  973    HB2  PRO1135           2HB      PRO1135  10.092  -6.732 -11.748
  974    HB3  PRO1135           3HB      PRO1135  10.681  -8.413 -11.953
  975    HG2  PRO1135           2HG      PRO1135  12.120  -6.392 -10.658
  976    HG3  PRO1135           3HG      PRO1135  12.889  -7.795 -11.448
  977    HD2  PRO1135           2HD      PRO1135  13.146  -5.057 -12.265
  978    HD3  PRO1135           3HD      PRO1135  13.742  -6.514 -13.087
  979    H    GLN1136           H        GLN1136   9.387  -9.016 -14.191
  980    HA   GLN1136           HA       GLN1136   7.680  -7.567 -16.053
  981    HB2  GLN1136           2HB      GLN1136   7.519 -10.373 -14.914
  982    HB3  GLN1136           3HB      GLN1136   6.382  -9.698 -16.090
  983    HG2  GLN1136           2HG      GLN1136   8.260  -9.273 -17.663
  984    HG3  GLN1136           3HG      GLN1136   9.390  -9.992 -16.513
  985   HE21  GLN1136          2HE2      GLN1136   9.568 -11.183 -18.848
  986   HE22  GLN1136          1HE2      GLN1136   8.677 -12.699 -18.888
  987    HA   PRO1137           HA       PRO1137   4.337  -7.616 -12.714
  988    HB2  PRO1137           2HB      PRO1137   4.801  -8.152 -10.084
  989    HB3  PRO1137           3HB      PRO1137   4.482  -9.419 -11.311
  990    HG2  PRO1137           2HG      PRO1137   7.163  -8.503 -10.243
  991    HG3  PRO1137           3HG      PRO1137   6.568 -10.177 -10.455
  992    HD2  PRO1137           2HD      PRO1137   8.174  -8.927 -12.271
  993    HD3  PRO1137           3HD      PRO1137   6.923 -10.108 -12.766
  994    H    GLU1138           H        GLU1138   3.772  -5.594 -12.415
  995    HA   GLU1138           HA       GLU1138   5.535  -3.628 -10.989
  996    HB2  GLU1138           2HB      GLU1138   3.732  -3.178 -13.382
  997    HB3  GLU1138           3HB      GLU1138   4.637  -1.924 -12.543
  998    HG2  GLU1138           2HG      GLU1138   5.952  -4.165 -14.093
  999    HG3  GLU1138           3HG      GLU1138   5.373  -2.621 -14.761
 1000    H    PTR1139           H        PTR1139   2.766  -2.289 -12.114
 1001    HA   PTR1139           HA       PTR1139   1.420  -1.924  -9.614
 1002    HB2  PTR1139           2HB      PTR1139   1.409  -0.458 -12.123
 1003    HB3  PTR1139           3HB      PTR1139   0.537  -0.033 -10.664
 1004    HD1  PTR1139           1HD      PTR1139   1.926   0.396  -8.437
 1005    HD2  PTR1139           2HD      PTR1139   3.856   0.192 -12.334
 1006    HE1  PTR1139           1HE      PTR1139   3.694   1.944  -7.660
 1007    HE2  PTR1139           2HE      PTR1139   5.484   1.975 -11.518
 1008    H    VAL1140           H        VAL1140  -1.141  -1.406 -10.823
 1009    HA   VAL1140           HA       VAL1140  -2.371  -3.890 -11.321
 1010    HB   VAL1140           HB       VAL1140  -2.586  -2.825  -8.404
 1011   HG11  VAL1140          1HG1      VAL1140  -4.562  -4.201  -7.843
 1012   HG12  VAL1140          2HG1      VAL1140  -4.923  -2.837  -8.902
 1013   HG13  VAL1140          3HG1      VAL1140  -4.813  -4.505  -9.567
 1014   HG21  VAL1140          3HG2      VAL1140  -2.615  -5.695  -9.436
 1015   HG22  VAL1140          1HG2      VAL1140  -1.179  -4.838  -8.851
 1016   HG23  VAL1140          2HG2      VAL1140  -2.488  -5.194  -7.731
 1017    H    ASN1141           H        ASN1141  -3.023  -0.582 -10.693
 1018    HA   ASN1141           HA       ASN1141  -5.684  -0.848 -11.768
 1019    HB2  ASN1141           2HB      ASN1141  -3.841   1.479 -12.294
 1020    HB3  ASN1141           3HB      ASN1141  -5.581   1.514 -12.187
 1021   HD21  ASN1141          2HD2      ASN1141  -2.600   1.811 -10.379
 1022   HD22  ASN1141          1HD2      ASN1141  -3.280   1.346  -8.806
 1023    H    GLN1142           H        GLN1142  -2.440  -0.927 -13.158
 1024    HA   GLN1142           HA       GLN1142  -2.931  -3.158 -14.794
 1025    HB2  GLN1142           2HB      GLN1142  -1.314  -0.548 -15.187
 1026    HB3  GLN1142           3HB      GLN1142  -1.030  -1.884 -16.204
 1027    HG2  GLN1142           2HG      GLN1142  -2.048  -0.175 -17.554
 1028    HG3  GLN1142           3HG      GLN1142  -3.091  -1.581 -17.478
 1029   HE21  GLN1142          2HE2      GLN1142  -2.804   1.773 -15.829
 1030   HE22  GLN1142          1HE2      GLN1142  -4.543   1.914 -15.828
 1031    HA   PRO1143           HA       PRO1143   1.227  -3.473 -13.123
 1032    HB2  PRO1143           2HB      PRO1143   2.431  -5.356 -14.725
 1033    HB3  PRO1143           3HB      PRO1143   1.196  -5.808 -13.512
 1034    HG2  PRO1143           2HG      PRO1143   0.783  -5.308 -16.483
 1035    HG3  PRO1143           3HG      PRO1143   0.210  -6.695 -15.507
 1036    HD2  PRO1143           2HD      PRO1143  -1.343  -4.474 -16.090
 1037    HD3  PRO1143           3HD      PRO1143  -1.550  -5.443 -14.600
 1038    H    ASP1144           H        ASP1144   0.715  -1.386 -14.100
 1039    HA   ASP1144           HA       ASP1144   0.619   0.302 -15.374
 1040    HB2  ASP1144           2HB      ASP1144   2.347   0.843 -13.865
 1041    HB3  ASP1144           3HB      ASP1144   3.590   0.033 -14.831
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  22.762  39.218  12.652
    2    H2   GLY   1           H2       GLY   1  23.799  38.786  13.843
    3    H3   GLY   1           H3       GLY   1  22.268  38.205  13.842
    4    HA2  GLY   1           2HA      GLY   1  24.339  37.592  11.828
    5    HA3  GLY   1           3HA      GLY   1  23.817  36.498  13.121
    6    H    SER   2           H        SER   2  23.745  36.100  10.211
    7    HA   SER   2           HA       SER   2  20.914  35.310   9.910
    8    HB2  SER   2           2HB      SER   2  20.828  36.267   7.611
    9    HB3  SER   2           3HB      SER   2  20.959  37.495   8.873
   10    HG   SER   2           HG       SER   2  22.373  37.898   7.123
   11    HA   PRO   3           HA       PRO   3  19.705  34.429   8.001
   12    HB2  PRO   3           2HB      PRO   3  18.716  32.022   7.273
   13    HB3  PRO   3           3HB      PRO   3  19.661  33.037   6.139
   14    HG2  PRO   3           2HG      PRO   3  20.666  30.723   7.837
   15    HG3  PRO   3           3HG      PRO   3  20.894  30.982   6.077
   16    HD2  PRO   3           2HD      PRO   3  22.777  31.724   7.922
   17    HD3  PRO   3           3HD      PRO   3  22.489  32.674   6.437
   18    H    ALA   4           H        ALA   4  17.826  33.948   9.261
   19    HA   ALA   4           HA       ALA   4  18.314  33.141  11.980
   20    HB1  ALA   4           3HB      ALA   4  16.684  34.866  11.309
   21    HB2  ALA   4           1HB      ALA   4  15.707  33.635  10.473
   22    HB3  ALA   4           2HB      ALA   4  15.901  33.574  12.237
   23    H    SER   5           H        SER   5  17.177  31.369   9.170
   24    HA   SER   5           HA       SER   5  16.285  29.027  10.707
   25    HB2  SER   5           2HB      SER   5  16.485  29.408   7.702
   26    HB3  SER   5           3HB      SER   5  15.596  28.135   8.555
   27    HG   SER   5           HG       SER   5  14.237  29.740   9.422
   28    H    GLY   6           H        GLY   6  19.295  29.928  10.442
   29    HA2  GLY   6           2HA      GLY   6  20.660  27.866   8.986
   30    HA3  GLY   6           3HA      GLY   6  21.359  28.973  10.169
   31    H    THR   7           H        THR   7  19.246  27.754  12.173
   32    HA   THR   7           HA       THR   7  20.957  25.550  13.142
   33    HB   THR   7           HB       THR   7  19.454  25.622  15.138
   34    HG1  THR   7           1HG      THR   7  18.118  27.443  15.318
   35   HG21  THR   7          1HG2      THR   7  21.575  26.909  15.067
   36   HG22  THR   7          2HG2      THR   7  20.704  28.306  14.397
   37   HG23  THR   7          3HG2      THR   7  20.333  27.720  16.035
   38    H    SER   8           H        SER   8  20.150  23.489  13.772
   39    HA   SER   8           HA       SER   8  17.580  22.561  12.643
   40    HB2  SER   8           2HB      SER   8  18.654  20.750  11.380
   41    HB3  SER   8           3HB      SER   8  19.128  22.341  10.773
   42    HG   SER   8           HG       SER   8  20.921  20.944  10.975
   43    H    LEU   9           H        LEU   9  17.046  20.354  13.209
   44    HA   LEU   9           HA       LEU   9  18.463  19.090  15.457
   45    HB2  LEU   9           2HB      LEU   9  16.862  20.732  16.462
   46    HB3  LEU   9           3HB      LEU   9  15.543  19.965  15.586
   47    HG   LEU   9           HG       LEU   9  15.906  17.866  16.891
   48   HD11  LEU   9          1HD1      LEU   9  17.322  17.952  18.930
   49   HD12  LEU   9          2HD1      LEU   9  18.305  18.092  17.472
   50   HD13  LEU   9          3HD1      LEU   9  17.943  19.541  18.432
   51   HD21  LEU   9          3HD2      LEU   9  15.556  20.368  18.591
   52   HD22  LEU   9          1HD2      LEU   9  14.286  19.561  17.644
   53   HD23  LEU   9          2HD2      LEU   9  15.028  18.723  19.016
   54    H    SER  10           H        SER  10  18.023  16.861  15.644
   55    HA   SER  10           HA       SER  10  16.225  15.575  13.639
   56    HB2  SER  10           2HB      SER  10  19.141  14.816  14.086
   57    HB3  SER  10           3HB      SER  10  17.996  14.001  13.010
   58    HG   SER  10           HG       SER  10  17.837  16.010  11.846
   59    H    ALA  11           H        ALA  11  15.680  13.393  14.072
   60    HA   ALA  11           HA       ALA  11  16.320  12.238  16.721
   61    HB1  ALA  11           3HB      ALA  11  13.478  12.789  15.747
   62    HB2  ALA  11           1HB      ALA  11  13.918  11.893  17.216
   63    HB3  ALA  11           2HB      ALA  11  14.299  13.619  17.087
   64    H    ALA  12           H        ALA  12  15.739   9.972  16.902
   65    HA   ALA  12           HA       ALA  12  16.311   8.442  14.546
   66    HB1  ALA  12           3HB      ALA  12  15.996   6.509  16.044
   67    HB2  ALA  12           1HB      ALA  12  16.972   7.767  16.824
   68    HB3  ALA  12           2HB      ALA  12  15.262   7.564  17.273
   69    H    ILE  13           H        ILE  13  15.022   6.891  13.438
   70    HA   ILE  13           HA       ILE  13  12.350   7.834  12.884
   71    HB   ILE  13           HB       ILE  13  13.954   7.067  11.174
   72   HG12  ILE  13          2HG1      ILE  13  12.435   5.807   9.734
   73   HG13  ILE  13          3HG1      ILE  13  11.377   5.455  11.094
   74   HG21  ILE  13          1HG2      ILE  13  14.924   5.105  12.339
   75   HG22  ILE  13          2HG2      ILE  13  13.385   4.239  12.168
   76   HG23  ILE  13          3HG2      ILE  13  14.323   4.686  10.735
   77   HD11  ILE  13          3HD1      ILE  13  10.554   7.302   9.638
   78   HD12  ILE  13          1HD1      ILE  13  10.792   7.832  11.309
   79   HD13  ILE  13          2HD1      ILE  13  11.990   8.258  10.059
   80    H    HIS  14           H        HIS  14  13.531   5.343  14.965
   81    HA   HIS  14           HA       HIS  14  11.125   3.728  15.078
   82    HB2  HIS  14           2HB      HIS  14  13.562   3.793  16.898
   83    HB3  HIS  14           3HB      HIS  14  12.351   2.509  16.814
   84    HD2  HIS  14           HD2      HIS  14  12.099   1.383  14.199
   85    HE1  HIS  14           HE1      HIS  14  16.232   1.950  13.291
   86    HE2  HIS  14           HE2      HIS  14  14.108   0.722  12.609
   87    H    ARG  15           H        ARG  15  10.225   6.196  15.456
   88    HA   ARG  15           HA       ARG  15   9.440   6.333  18.322
   89    HB2  ARG  15           2HB      ARG  15   9.549   8.811  18.171
   90    HB3  ARG  15           3HB      ARG  15  11.098   8.130  17.662
   91    HG2  ARG  15           2HG      ARG  15  10.466   8.385  15.271
   92    HG3  ARG  15           3HG      ARG  15   8.867   8.938  15.727
   93    HD2  ARG  15           2HD      ARG  15   9.940  10.858  16.979
   94    HD3  ARG  15           3HD      ARG  15  11.493  10.380  16.306
   95    HE   ARG  15           HE       ARG  15   9.182  11.613  14.920
   96   HH11  ARG  15          1HH1      ARG  15  12.319  10.136  14.391
   97   HH12  ARG  15          2HH1      ARG  15  12.561  10.989  12.884
   98   HH21  ARG  15          1HH2      ARG  15   9.509  12.588  12.960
   99   HH22  ARG  15          2HH2      ARG  15  10.965  12.285  12.064
  100    H    THR  16           H        THR  16   8.298   5.825  15.626
  101    HA   THR  16           HA       THR  16   5.435   6.333  16.172
  102    HB   THR  16           HB       THR  16   5.062   7.227  13.814
  103    HG1  THR  16           1HG      THR  16   6.854   8.291  12.902
  104   HG21  THR  16          1HG2      THR  16   4.902   8.706  15.771
  105   HG22  THR  16          2HG2      THR  16   6.633   9.072  15.647
  106   HG23  THR  16          3HG2      THR  16   5.528   9.544  14.342
  107    H    GLN  17           H        GLN  17   4.074   5.343  14.335
  108    HA   GLN  17           HA       GLN  17   4.929   2.630  13.812
  109    HB2  GLN  17           2HB      GLN  17   2.725   2.252  13.058
  110    HB3  GLN  17           3HB      GLN  17   2.653   3.270  14.476
  111    HG2  GLN  17           2HG      GLN  17   1.890   3.905  11.634
  112    HG3  GLN  17           3HG      GLN  17   0.986   4.145  13.113
  113   HE21  GLN  17          2HE2      GLN  17   3.355   5.527  10.930
  114   HE22  GLN  17          1HE2      GLN  17   3.494   7.087  11.736
  115    H    LEU  18           H        LEU  18   6.862   3.765  12.711
  116    HA   LEU  18           HA       LEU  18   7.059   4.812  10.259
  117    HB2  LEU  18           2HB      LEU  18   9.337   4.271  10.327
  118    HB3  LEU  18           3HB      LEU  18   8.820   4.537  11.976
  119    HG   LEU  18           HG       LEU  18   9.196   1.744  10.758
  120   HD11  LEU  18          1HD1      LEU  18  11.304   3.018  10.737
  121   HD12  LEU  18          2HD1      LEU  18  11.113   3.345  12.475
  122   HD13  LEU  18          3HD1      LEU  18  11.337   1.680  11.886
  123   HD21  LEU  18          3HD2      LEU  18   7.803   1.653  12.764
  124   HD22  LEU  18          1HD2      LEU  18   9.405   1.017  13.111
  125   HD23  LEU  18          2HD2      LEU  18   8.979   2.654  13.652
  126    H    TRP  19           H        TRP  19   5.115   2.809   9.590
  127    HA   TRP  19           HA       TRP  19   6.456   1.210   7.457
  128    HB2  TRP  19           2HB      TRP  19   3.699   1.097   8.712
  129    HB3  TRP  19           3HB      TRP  19   4.120   0.212   7.260
  130    HD1  TRP  19           HD1      TRP  19   5.870  -1.775   7.430
  131    HE1  TRP  19           HE1      TRP  19   6.488  -3.352   9.341
  132    HE3  TRP  19           HE3      TRP  19   3.981   0.947  11.330
  133    HZ2  TRP  19           HZ2      TRP  19   6.276  -3.385  12.231
  134    HZ3  TRP  19           HZ3      TRP  19   4.208   0.115  13.669
  135    HH2  TRP  19           HH2      TRP  19   5.355  -2.040  14.126
  136    H    PHE  20           H        PHE  20   6.802   3.738   6.915
  137    HA   PHE  20           HA       PHE  20   5.254   4.111   4.457
  138    HB2  PHE  20           2HB      PHE  20   3.972   5.376   6.182
  139    HB3  PHE  20           3HB      PHE  20   5.408   6.308   6.564
  140    HD1  PHE  20           HD1      PHE  20   2.894   5.545   3.913
  141    HD2  PHE  20           HD2      PHE  20   6.063   8.192   5.158
  142    HE1  PHE  20           HE1      PHE  20   2.292   7.126   2.090
  143    HE2  PHE  20           HE2      PHE  20   5.456   9.772   3.338
  144    HZ   PHE  20           HZ       PHE  20   3.573   9.238   1.801
  145    H    HIS  21           H        HIS  21   6.780   4.251   2.960
  146    HA   HIS  21           HA       HIS  21   9.229   5.924   3.262
  147    HB2  HIS  21           2HB      HIS  21   9.170   2.961   2.496
  148    HB3  HIS  21           3HB      HIS  21  10.589   4.013   2.386
  149    HD2  HIS  21           HD2      HIS  21   8.388   2.166   4.942
  150    HE1  HIS  21           HE1      HIS  21  11.587   3.869   7.186
  151    HE2  HIS  21           HE2      HIS  21   9.508   2.402   7.315
  152    H    GLY  22           H        GLY  22  10.185   6.524   0.944
  153    HA2  GLY  22           2HA      GLY  22   8.465   5.535  -1.212
  154    HA3  GLY  22           3HA      GLY  22   8.516   7.260  -1.011
  155    H    ARG  23           H        ARG  23  10.847   4.564  -0.775
  156    HA   ARG  23           HA       ARG  23  12.109   5.354  -3.254
  157    HB2  ARG  23           2HB      ARG  23  13.360   6.855  -2.033
  158    HB3  ARG  23           3HB      ARG  23  13.336   5.895  -0.568
  159    HG2  ARG  23           2HG      ARG  23  15.581   6.263  -1.376
  160    HG3  ARG  23           3HG      ARG  23  15.196   4.564  -1.286
  161    HD2  ARG  23           2HD      ARG  23  14.766   4.675  -3.850
  162    HD3  ARG  23           3HD      ARG  23  15.396   6.315  -3.765
  163    HE   ARG  23           HE       ARG  23  17.535   5.515  -3.598
  164   HH11  ARG  23          1HH1      ARG  23  15.451   2.798  -2.789
  165   HH12  ARG  23          2HH1      ARG  23  16.773   1.657  -2.878
  166   HH21  ARG  23          1HH2      ARG  23  19.159   4.014  -3.658
  167   HH22  ARG  23          2HH2      ARG  23  18.821   2.339  -3.339
  168    H    ILE  24           H        ILE  24  10.605   3.294  -2.877
  169    HA   ILE  24           HA       ILE  24  12.419   0.965  -3.155
  170    HB   ILE  24           HB       ILE  24  11.794   1.195  -0.783
  171   HG12  ILE  24          2HG1      ILE  24  10.706  -1.299  -2.148
  172   HG13  ILE  24          3HG1      ILE  24  12.400  -0.964  -1.798
  173   HG21  ILE  24          1HG2      ILE  24   8.938   0.450  -1.432
  174   HG22  ILE  24          2HG2      ILE  24   9.646   0.897   0.125
  175   HG23  ILE  24          3HG2      ILE  24   9.457   2.126  -1.125
  176   HD11  ILE  24          3HD1      ILE  24  11.528  -2.492  -0.138
  177   HD12  ILE  24          1HD1      ILE  24  11.862  -0.935   0.648
  178   HD13  ILE  24          2HD1      ILE  24  10.190  -1.404   0.256
  179    H    SER  25           H        SER  25  11.759   1.804  -5.375
  180    HA   SER  25           HA       SER  25   9.138   1.643  -6.345
  181    HB2  SER  25           2HB      SER  25  11.015   2.761  -7.516
  182    HB3  SER  25           3HB      SER  25  11.637   1.172  -7.982
  183    HG   SER  25           HG       SER  25   9.097   2.325  -8.728
  184    H    ARG  26           H        ARG  26   8.020   0.315  -7.657
  185    HA   ARG  26           HA       ARG  26   7.457  -2.168  -6.657
  186    HB2  ARG  26           2HB      ARG  26   5.843  -2.312  -8.351
  187    HB3  ARG  26           3HB      ARG  26   6.025  -0.609  -8.029
  188    HG2  ARG  26           2HG      ARG  26   7.225  -2.173 -10.372
  189    HG3  ARG  26           3HG      ARG  26   5.723  -1.245 -10.414
  190    HD2  ARG  26           2HD      ARG  26   7.064   0.795  -9.835
  191    HD3  ARG  26           3HD      ARG  26   8.536  -0.144 -10.096
  192    HE   ARG  26           HE       ARG  26   7.085  -0.557 -12.426
  193   HH11  ARG  26          1HH1      ARG  26   7.895   2.512 -10.851
  194   HH12  ARG  26          2HH1      ARG  26   8.146   3.275 -12.404
  195   HH21  ARG  26          1HH2      ARG  26   7.221   0.454 -14.192
  196   HH22  ARG  26          2HH2      ARG  26   7.645   2.161 -14.302
  197    H    GLU  27           H        GLU  27   9.836  -1.689  -9.160
  198    HA   GLU  27           HA       GLU  27  10.043  -4.545  -9.827
  199    HB2  GLU  27           2HB      GLU  27  11.791  -2.151 -10.501
  200    HB3  GLU  27           3HB      GLU  27  12.031  -3.787 -11.130
  201    HG2  GLU  27           2HG      GLU  27   9.814  -3.739 -12.206
  202    HG3  GLU  27           3HG      GLU  27   9.512  -2.122 -11.562
  203    H    GLU  28           H        GLU  28  11.757  -2.301  -7.644
  204    HA   GLU  28           HA       GLU  28  13.751  -4.345  -6.854
  205    HB2  GLU  28           2HB      GLU  28  13.214  -1.493  -5.942
  206    HB3  GLU  28           3HB      GLU  28  14.410  -2.540  -5.189
  207    HG2  GLU  28           2HG      GLU  28  14.397  -1.658  -8.105
  208    HG3  GLU  28           3HG      GLU  28  15.441  -1.031  -6.831
  209    H    SER  29           H        SER  29  10.852  -2.791  -5.481
  210    HA   SER  29           HA       SER  29  10.955  -3.823  -2.872
  211    HB2  SER  29           2HB      SER  29   9.361  -2.104  -3.782
  212    HB3  SER  29           3HB      SER  29   8.476  -3.392  -4.590
  213    HG   SER  29           HG       SER  29   8.793  -2.933  -1.805
  214    H    GLN  30           H        GLN  30   9.687  -5.452  -5.799
  215    HA   GLN  30           HA       GLN  30   8.694  -7.720  -4.371
  216    HB2  GLN  30           2HB      GLN  30   8.536  -8.810  -6.595
  217    HB3  GLN  30           3HB      GLN  30   7.778  -7.221  -6.465
  218    HG2  GLN  30           2HG      GLN  30   9.755  -6.227  -7.633
  219    HG3  GLN  30           3HG      GLN  30  10.420  -7.850  -7.831
  220   HE21  GLN  30          1HE2      GLN  30   7.086  -6.349  -8.327
  221   HE22  GLN  30          2HE2      GLN  30   7.033  -6.842 -10.010
  222    H    ARG  31           H        ARG  31  11.979  -6.932  -5.058
  223    HA   ARG  31           HA       ARG  31  12.975  -9.698  -4.829
  224    HB2  ARG  31           2HB      ARG  31  14.087  -7.918  -6.173
  225    HB3  ARG  31           3HB      ARG  31  14.413  -7.016  -4.688
  226    HG2  ARG  31           2HG      ARG  31  15.892  -8.766  -3.867
  227    HG3  ARG  31           3HG      ARG  31  15.451  -9.824  -5.218
  228    HD2  ARG  31           2HD      ARG  31  17.646  -8.770  -5.607
  229    HD3  ARG  31           3HD      ARG  31  16.468  -8.301  -6.823
  230    HE   ARG  31           HE       ARG  31  16.575  -6.095  -6.133
  231   HH11  ARG  31          1HH1      ARG  31  18.247  -7.949  -3.660
  232   HH12  ARG  31          2HH1      ARG  31  18.854  -6.511  -2.892
  233   HH21  ARG  31          1HH2      ARG  31  17.335  -4.377  -5.167
  234   HH22  ARG  31          2HH2      ARG  31  18.347  -4.492  -3.730
  235    H    LEU  32           H        LEU  32  12.233  -7.049  -2.667
  236    HA   LEU  32           HA       LEU  32  13.550  -8.321  -0.325
  237    HB2  LEU  32           2HB      LEU  32  12.277  -5.613  -0.867
  238    HB3  LEU  32           3HB      LEU  32  12.613  -6.172   0.766
  239    HG   LEU  32           HG       LEU  32  14.994  -6.373   0.293
  240   HD11  LEU  32          1HD1      LEU  32  15.959  -5.261  -1.736
  241   HD12  LEU  32          2HD1      LEU  32  15.134  -6.775  -2.092
  242   HD13  LEU  32          3HD1      LEU  32  14.330  -5.222  -2.446
  243   HD21  LEU  32          3HD2      LEU  32  14.031  -4.279   1.195
  244   HD22  LEU  32          1HD2      LEU  32  15.462  -3.968   0.203
  245   HD23  LEU  32          2HD2      LEU  32  13.843  -3.657  -0.461
  246    H    ILE  33           H        ILE  33  10.249  -7.187  -1.231
  247    HA   ILE  33           HA       ILE  33   9.053  -8.452   1.118
  248    HB   ILE  33           HB       ILE  33   7.928  -6.878  -1.214
  249   HG12  ILE  33          2HG1      ILE  33   7.278  -5.264   0.539
  250   HG13  ILE  33          3HG1      ILE  33   7.979  -6.287   1.788
  251   HG21  ILE  33          1HG2      ILE  33   6.412  -8.144   1.102
  252   HG22  ILE  33          2HG2      ILE  33   5.748  -6.867   0.053
  253   HG23  ILE  33          3HG2      ILE  33   6.150  -8.428  -0.637
  254   HD11  ILE  33          3HD1      ILE  33  10.215  -5.762   1.047
  255   HD12  ILE  33          1HD1      ILE  33   9.597  -4.968  -0.429
  256   HD13  ILE  33          2HD1      ILE  33   9.309  -4.254   1.167
  257    H    GLY  34           H        GLY  34   9.929  -9.665  -1.965
  258    HA2  GLY  34           2HA      GLY  34   7.801 -11.706  -2.078
  259    HA3  GLY  34           3HA      GLY  34   9.050 -11.389  -3.272
  260    H    GLN  35           H        GLN  35  10.696 -11.629  -0.397
  261    HA   GLN  35           HA       GLN  35  11.502 -14.417  -0.899
  262    HB2  GLN  35           2HB      GLN  35  13.152 -12.681  -0.364
  263    HB3  GLN  35           3HB      GLN  35  12.353 -12.341   1.166
  264    HG2  GLN  35           2HG      GLN  35  14.391 -13.639   1.494
  265    HG3  GLN  35           3HG      GLN  35  12.992 -14.545   2.040
  266   HE21  GLN  35          2HE2      GLN  35  12.288 -16.415   0.729
  267   HE22  GLN  35          1HE2      GLN  35  13.437 -17.162  -0.387
  268    H    GLN  36           H        GLN  36   9.042 -12.836   0.812
  269    HA   GLN  36           HA       GLN  36   8.669 -14.758   2.928
  270    HB2  GLN  36           2HB      GLN  36   7.135 -12.315   2.039
  271    HB3  GLN  36           3HB      GLN  36   6.614 -13.346   3.366
  272    HG2  GLN  36           2HG      GLN  36   7.714 -11.886   4.661
  273    HG3  GLN  36           3HG      GLN  36   9.143 -12.812   4.208
  274   HE21  GLN  36          2HE2      GLN  36  10.609 -11.884   2.659
  275   HE22  GLN  36          1HE2      GLN  36  10.509 -10.171   2.213
  276    H    GLY  37           H        GLY  37   6.487 -15.840   3.151
  277    HA2  GLY  37           2HA      GLY  37   5.073 -16.446   0.567
  278    HA3  GLY  37           3HA      GLY  37   5.482 -17.691   1.744
  279    H    LEU  38           H        LEU  38   4.287 -14.445   2.568
  280    HA   LEU  38           HA       LEU  38   2.166 -15.608   4.240
  281    HB2  LEU  38           2HB      LEU  38   3.598 -12.962   3.974
  282    HB3  LEU  38           3HB      LEU  38   2.051 -12.973   4.760
  283    HG   LEU  38           HG       LEU  38   3.945 -13.091   6.325
  284   HD11  LEU  38          1HD1      LEU  38   2.165 -15.556   6.458
  285   HD12  LEU  38          2HD1      LEU  38   3.002 -14.764   7.804
  286   HD13  LEU  38          3HD1      LEU  38   1.697 -13.916   6.962
  287   HD21  LEU  38          3HD2      LEU  38   4.398 -15.938   5.372
  288   HD22  LEU  38          1HD2      LEU  38   5.482 -14.554   5.069
  289   HD23  LEU  38          2HD2      LEU  38   5.194 -15.111   6.723
  290    H    VAL  39           H        VAL  39   0.247 -13.766   4.370
  291    HA   VAL  39           HA       VAL  39  -1.323 -14.075   1.873
  292    HB   VAL  39           HB       VAL  39  -3.197 -13.231   3.102
  293   HG11  VAL  39          1HG1      VAL  39  -3.472 -15.080   4.688
  294   HG12  VAL  39          2HG1      VAL  39  -2.676 -15.645   3.205
  295   HG13  VAL  39          3HG1      VAL  39  -1.729 -15.388   4.683
  296   HG21  VAL  39          3HG2      VAL  39  -1.455 -13.086   5.594
  297   HG22  VAL  39          1HG2      VAL  39  -2.017 -11.664   4.675
  298   HG23  VAL  39          2HG2      VAL  39  -3.184 -12.734   5.460
  299    H    ASP  40           H        ASP  40  -2.426 -12.377   0.834
  300    HA   ASP  40           HA       ASP  40  -0.812 -10.316  -0.171
  301    HB2  ASP  40           2HB      ASP  40  -2.757  -9.507  -1.206
  302    HB3  ASP  40           3HB      ASP  40  -3.034 -11.244  -1.058
  303    H    GLY  41           H        GLY  41  -2.272 -10.404   2.771
  304    HA2  GLY  41           2HA      GLY  41  -2.714  -7.510   3.320
  305    HA3  GLY  41           3HA      GLY  41  -3.091  -8.929   4.136
  306    H    LEU  42           H        LEU  42   0.107  -9.468   3.444
  307    HA   LEU  42           HA       LEU  42   1.048  -7.987   5.842
  308    HB2  LEU  42           2HB      LEU  42   1.995 -10.454   4.364
  309    HB3  LEU  42           3HB      LEU  42   3.228  -9.485   5.143
  310    HG   LEU  42           HG       LEU  42   2.513 -11.368   6.502
  311   HD11  LEU  42          1HD1      LEU  42   3.484  -9.483   7.612
  312   HD12  LEU  42          2HD1      LEU  42   1.927  -8.653   7.715
  313   HD13  LEU  42          3HD1      LEU  42   2.199 -10.158   8.621
  314   HD21  LEU  42          3HD2      LEU  42   0.349 -11.446   7.599
  315   HD22  LEU  42          1HD2      LEU  42  -0.186  -9.998   6.720
  316   HD23  LEU  42          2HD2      LEU  42   0.174 -11.485   5.834
  317    H    PHE  43           H        PHE  43   0.370  -6.257   4.384
  318    HA   PHE  43           HA       PHE  43   2.324  -5.545   2.306
  319    HB2  PHE  43           2HB      PHE  43   0.545  -4.336   1.334
  320    HB3  PHE  43           3HB      PHE  43  -0.025  -5.794   1.764
  321    HD1  PHE  43           HD1      PHE  43   0.163  -2.416   3.563
  322    HD2  PHE  43           HD2      PHE  43  -2.266  -5.722   2.225
  323    HE1  PHE  43           HE1      PHE  43  -1.835  -1.286   4.419
  324    HE2  PHE  43           HE2      PHE  43  -4.280  -4.556   3.043
  325    HZ   PHE  43           HZ       PHE  43  -4.071  -2.322   4.155
  326    H    LEU  44           H        LEU  44   2.532  -3.227   1.874
  327    HA   LEU  44           HA       LEU  44   2.954  -1.457   4.253
  328    HB2  LEU  44           2HB      LEU  44   5.090  -2.572   3.863
  329    HB3  LEU  44           3HB      LEU  44   4.981  -2.307   2.143
  330    HG   LEU  44           HG       LEU  44   5.216   0.213   2.602
  331   HD11  LEU  44          1HD1      LEU  44   6.045  -0.825   5.337
  332   HD12  LEU  44          2HD1      LEU  44   6.216   0.839   4.732
  333   HD13  LEU  44          3HD1      LEU  44   4.601   0.154   4.989
  334   HD21  LEU  44          3HD2      LEU  44   7.652   0.041   2.930
  335   HD22  LEU  44          1HD2      LEU  44   7.471  -1.656   3.435
  336   HD23  LEU  44          2HD2      LEU  44   7.072  -1.171   1.777
  337    H    VAL  45           H        VAL  45   2.471   0.737   3.791
  338    HA   VAL  45           HA       VAL  45   1.660   1.361   0.976
  339    HB   VAL  45           HB       VAL  45   1.006   3.090   3.367
  340   HG11  VAL  45          1HG1      VAL  45  -0.187   2.868   0.540
  341   HG12  VAL  45          2HG1      VAL  45  -0.680   4.008   1.799
  342   HG13  VAL  45          3HG1      VAL  45   0.928   4.139   1.079
  343   HG21  VAL  45          3HG2      VAL  45  -0.687   0.912   2.068
  344   HG22  VAL  45          1HG2      VAL  45  -0.107   0.934   3.747
  345   HG23  VAL  45          2HG2      VAL  45  -1.288   2.130   3.213
  346    H    ARG  46           H        ARG  46   3.185   2.173  -0.156
  347    HA   ARG  46           HA       ARG  46   5.270   4.089   0.821
  348    HB2  ARG  46           2HB      ARG  46   7.082   2.585   0.082
  349    HB3  ARG  46           3HB      ARG  46   6.145   1.781   1.300
  350    HG2  ARG  46           2HG      ARG  46   6.754   0.165  -0.389
  351    HG3  ARG  46           3HG      ARG  46   5.007   0.433  -0.558
  352    HD2  ARG  46           2HD      ARG  46   5.320   1.867  -2.409
  353    HD3  ARG  46           3HD      ARG  46   7.085   1.978  -2.143
  354    HE   ARG  46           HE       ARG  46   5.913  -0.591  -3.023
  355   HH11  ARG  46          1HH1      ARG  46   7.531   2.374  -4.082
  356   HH12  ARG  46          2HH1      ARG  46   6.949   2.139  -5.725
  357   HH21  ARG  46          1HH2      ARG  46   5.718  -0.968  -5.253
  358   HH22  ARG  46          2HH2      ARG  46   6.204   0.351  -6.345
  359    H    GLU  47           H        GLU  47   6.722   4.611  -1.114
  360    HA   GLU  47           HA       GLU  47   5.531   4.128  -3.736
  361    HB2  GLU  47           2HB      GLU  47   5.240   6.476  -4.404
  362    HB3  GLU  47           3HB      GLU  47   4.135   6.061  -3.123
  363    HG2  GLU  47           2HG      GLU  47   6.726   7.455  -2.395
  364    HG3  GLU  47           3HG      GLU  47   5.444   8.378  -3.142
  365    HE2  GLU  47           2HE      GLU  47   3.443   8.391  -2.168
  366    H    SER  48           H        SER  48   7.110   6.438  -4.779
  367    HA   SER  48           HA       SER  48   9.875   5.578  -4.174
  368    HB2  SER  48           2HB      SER  48   8.638   5.854  -6.931
  369    HB3  SER  48           3HB      SER  48  10.372   5.554  -6.564
  370    HG   SER  48           HG       SER  48   8.187   3.926  -6.476
  371    H    GLN  49           H        GLN  49  11.378   7.052  -4.954
  372    HA   GLN  49           HA       GLN  49  10.527   9.859  -5.299
  373    HB2  GLN  49           2HB      GLN  49  12.589  10.373  -4.384
  374    HB3  GLN  49           3HB      GLN  49  12.225   8.855  -3.572
  375    HG2  GLN  49           2HG      GLN  49  14.205   9.398  -5.836
  376    HG3  GLN  49           3HG      GLN  49  14.532   8.735  -4.239
  377   HE21  GLN  49          2HE2      GLN  49  14.465   7.758  -7.446
  378   HE22  GLN  49          1HE2      GLN  49  13.758   6.155  -7.174
  379    H    ARG  50           H        ARG  50  10.500   7.407  -7.123
  380    HA   ARG  50           HA       ARG  50  11.558   8.275  -9.752
  381    HB2  ARG  50           2HB      ARG  50  12.150   6.006  -8.949
  382    HB3  ARG  50           3HB      ARG  50  10.448   5.613  -8.754
  383    HG2  ARG  50           2HG      ARG  50  10.150   5.944 -11.265
  384    HG3  ARG  50           3HG      ARG  50  11.926   6.078 -11.362
  385    HD2  ARG  50           2HD      ARG  50  12.044   3.837 -10.153
  386    HD3  ARG  50           3HD      ARG  50  10.273   3.757 -10.282
  387    HE   ARG  50           HE       ARG  50  11.510   4.171 -12.866
  388   HH11  ARG  50          1HH1      ARG  50  10.780   1.554 -10.557
  389   HH12  ARG  50          2HH1      ARG  50  11.059   0.365 -11.846
  390   HH21  ARG  50          1HH2      ARG  50  11.728   2.425 -14.344
  391   HH22  ARG  50          2HH2      ARG  50  11.479   0.794 -13.707
  392    H    ASN  51           H        ASN  51   8.437   6.333  -9.195
  393    HA   ASN  51           HA       ASN  51   6.952   7.853 -10.913
  394    HB2  ASN  51           2HB      ASN  51   6.383   5.974  -8.701
  395    HB3  ASN  51           3HB      ASN  51   5.102   7.149  -8.926
  396   HD21  ASN  51          1HD2      ASN  51   6.686   4.405 -10.341
  397   HD22  ASN  51          2HD2      ASN  51   5.685   4.366 -11.791
  398    HA   PRO  52           HA       PRO  52   6.864  11.746  -8.542
  399    HB2  PRO  52           2HB      PRO  52   5.839  13.438 -10.412
  400    HB3  PRO  52           3HB      PRO  52   7.482  12.740 -10.540
  401    HG2  PRO  52           2HG      PRO  52   4.939  11.760 -11.878
  402    HG3  PRO  52           3HG      PRO  52   6.537  12.064 -12.626
  403    HD2  PRO  52           2HD      PRO  52   5.738   9.573 -11.824
  404    HD3  PRO  52           3HD      PRO  52   7.441  10.102 -11.726
  405    H    GLN  53           H        GLN  53   4.175  10.016  -9.676
  406    HA   GLN  53           HA       GLN  53   2.110  11.564  -8.147
  407    HB2  GLN  53           2HB      GLN  53   1.913   9.785 -10.595
  408    HB3  GLN  53           3HB      GLN  53   0.550  10.524  -9.754
  409    HG2  GLN  53           2HG      GLN  53   1.321  12.768 -10.295
  410    HG3  GLN  53           3HG      GLN  53   2.792  12.141 -11.036
  411   HE21  GLN  53          2HE2      GLN  53   2.442  10.577 -12.979
  412   HE22  GLN  53          1HE2      GLN  53   1.104  11.002 -14.033
  413    H    GLY  54           H        GLY  54   4.037   9.478  -6.926
  414    HA2  GLY  54           2HA      GLY  54   2.289   7.184  -6.765
  415    HA3  GLY  54           3HA      GLY  54   3.873   7.215  -6.165
  416    H    PHE  55           H        PHE  55   1.171   6.497  -5.470
  417    HA   PHE  55           HA       PHE  55   1.259   6.630  -2.517
  418    HB2  PHE  55           2HB      PHE  55  -1.294   7.122  -4.116
  419    HB3  PHE  55           3HB      PHE  55  -1.119   7.130  -2.367
  420    HD1  PHE  55           HD1      PHE  55  -0.004   9.057  -1.223
  421    HD2  PHE  55           HD2      PHE  55  -0.655   9.019  -5.491
  422    HE1  PHE  55           HE1      PHE  55   0.442  11.501  -1.321
  423    HE2  PHE  55           HE2      PHE  55  -0.181  11.455  -5.587
  424    HZ   PHE  55           HZ       PHE  55   0.357  12.700  -3.500
  425    H    VAL  56           H        VAL  56   2.219   4.383  -3.355
  426    HA   VAL  56           HA       VAL  56   0.163   2.441  -4.186
  427    HB   VAL  56           HB       VAL  56   1.767   1.540  -5.502
  428   HG11  VAL  56          1HG1      VAL  56   3.025   3.636  -5.734
  429   HG12  VAL  56          2HG1      VAL  56   3.709   3.433  -4.136
  430   HG13  VAL  56          3HG1      VAL  56   4.213   2.371  -5.414
  431   HG21  VAL  56          3HG2      VAL  56   3.737   0.409  -4.653
  432   HG22  VAL  56          1HG2      VAL  56   3.478   1.095  -3.042
  433   HG23  VAL  56          2HG2      VAL  56   2.330  -0.072  -3.766
  434    H    LEU  57           H        LEU  57  -0.337   0.630  -3.326
  435    HA   LEU  57           HA       LEU  57   0.429   0.014  -0.512
  436    HB2  LEU  57           2HB      LEU  57  -1.999   0.501  -1.215
  437    HB3  LEU  57           3HB      LEU  57  -1.932  -0.971  -2.179
  438    HG   LEU  57           HG       LEU  57  -1.719  -0.749   0.844
  439   HD11  LEU  57          1HD1      LEU  57  -3.802  -2.040   0.789
  440   HD12  LEU  57          2HD1      LEU  57  -3.993  -0.541  -0.133
  441   HD13  LEU  57          3HD1      LEU  57  -3.761  -2.084  -0.988
  442   HD21  LEU  57          3HD2      LEU  57  -1.825  -3.308   0.612
  443   HD22  LEU  57          1HD2      LEU  57  -1.272  -3.075  -1.046
  444   HD23  LEU  57          2HD2      LEU  57  -0.263  -2.523   0.328
  445    H    SER  58           H        SER  58   1.830  -1.768  -0.357
  446    HA   SER  58           HA       SER  58   2.535  -3.267  -2.866
  447    HB2  SER  58           2HB      SER  58   4.807  -3.465  -1.881
  448    HB3  SER  58           3HB      SER  58   4.339  -1.810  -2.322
  449    HG   SER  58           HG       SER  58   3.687  -1.726   0.048
  450    H    LEU  59           H        LEU  59   1.894  -5.342  -2.707
  451    HA   LEU  59           HA       LEU  59   0.897  -6.303  -0.088
  452    HB2  LEU  59           2HB      LEU  59   0.635  -7.338  -2.927
  453    HB3  LEU  59           3HB      LEU  59  -0.299  -7.920  -1.557
  454    HG   LEU  59           HG       LEU  59  -0.451  -5.000  -2.484
  455   HD11  LEU  59          1HD1      LEU  59  -2.471  -5.694  -3.685
  456   HD12  LEU  59          2HD1      LEU  59  -0.991  -6.381  -4.367
  457   HD13  LEU  59          3HD1      LEU  59  -2.040  -7.405  -3.361
  458   HD21  LEU  59          3HD2      LEU  59  -2.601  -5.038  -1.338
  459   HD22  LEU  59          1HD2      LEU  59  -2.394  -6.747  -0.924
  460   HD23  LEU  59          2HD2      LEU  59  -1.318  -5.523  -0.211
  461    H    CYS  60           H        CYS  60   1.036  -8.656   0.511
  462    HA   CYS  60           HA       CYS  60   3.715  -9.764  -0.401
  463    HB2  CYS  60           2HB      CYS  60   4.006  -8.681   1.783
  464    HB3  CYS  60           3HB      CYS  60   2.781  -9.781   2.457
  465    HG   CYS  60           HG       CYS  60   5.753 -10.401   1.064
  466    H    HIS  61           H        HIS  61   1.770 -10.435  -1.840
  467    HA   HIS  61           HA       HIS  61  -0.053 -12.236  -0.674
  468    HB2  HIS  61           2HB      HIS  61  -0.937 -10.887  -2.295
  469    HB3  HIS  61           3HB      HIS  61   0.465 -10.982  -3.244
  470    HD2  HIS  61           HD2      HIS  61  -3.043 -12.072  -3.130
  471    HE1  HIS  61           HE1      HIS  61  -1.323 -14.585  -6.091
  472    HE2  HIS  61           HE2      HIS  61  -3.497 -13.773  -5.074
  473    H    LEU  62           H        LEU  62  -0.473 -14.169  -2.386
  474    HA   LEU  62           HA       LEU  62   1.759 -16.090  -1.791
  475    HB2  LEU  62           2HB      LEU  62   0.350 -17.667  -0.791
  476    HB3  LEU  62           3HB      LEU  62  -0.369 -16.176  -0.213
  477    HG   LEU  62           HG       LEU  62  -1.385 -17.997  -2.435
  478   HD11  LEU  62          1HD1      LEU  62  -2.630 -17.078   0.189
  479   HD12  LEU  62          2HD1      LEU  62  -3.342 -18.211  -0.978
  480   HD13  LEU  62          3HD1      LEU  62  -1.871 -18.663  -0.097
  481   HD21  LEU  62          3HD2      LEU  62  -2.518 -15.293  -1.599
  482   HD22  LEU  62          1HD2      LEU  62  -1.855 -15.732  -3.198
  483   HD23  LEU  62          2HD2      LEU  62  -3.339 -16.488  -2.630
  484    H    GLN  63           H        GLN  63   1.127 -14.783  -4.188
  485    HA   GLN  63           HA       GLN  63   2.521 -16.975  -5.180
  486    HB2  GLN  63           2HB      GLN  63   0.252 -15.853  -6.970
  487    HB3  GLN  63           3HB      GLN  63   1.350 -17.125  -7.476
  488    HG2  GLN  63           2HG      GLN  63   0.330 -18.683  -5.867
  489    HG3  GLN  63           3HG      GLN  63  -0.784 -17.414  -5.327
  490   HE21  GLN  63          2HE2      GLN  63  -1.926 -19.736  -6.234
  491   HE22  GLN  63          1HE2      GLN  63  -2.641 -19.447  -7.816
  492    H    LYS  64           H        LYS  64   1.732 -13.683  -5.359
  493    HA   LYS  64           HA       LYS  64   4.392 -13.197  -6.399
  494    HB2  LYS  64           2HB      LYS  64   3.617 -11.506  -8.066
  495    HB3  LYS  64           3HB      LYS  64   3.095 -13.117  -8.488
  496    HG2  LYS  64           2HG      LYS  64   1.225 -11.317  -6.887
  497    HG3  LYS  64           3HG      LYS  64   1.474 -10.993  -8.604
  498    HD2  LYS  64           2HD      LYS  64   0.418 -13.613  -7.476
  499    HD3  LYS  64           3HD      LYS  64  -0.551 -12.332  -8.192
  500    HE2  LYS  64           2HE      LYS  64   0.691 -12.619 -10.353
  501    HE3  LYS  64           3HE      LYS  64   1.601 -13.956  -9.640
  502    HZ1  LYS  64           3HZ      LYS  64  -0.302 -14.745 -10.932
  503    HZ2  LYS  64           1HZ      LYS  64  -0.496 -15.183  -9.377
  504    HZ3  LYS  64           2HZ      LYS  64  -1.360 -13.934  -9.995
  505    H    VAL  65           H        VAL  65   4.846 -10.698  -6.264
  506    HA   VAL  65           HA       VAL  65   3.225  -9.392  -4.114
  507    HB   VAL  65           HB       VAL  65   5.239  -8.466  -3.145
  508   HG11  VAL  65          1HG1      VAL  65   5.285 -11.519  -3.209
  509   HG12  VAL  65          2HG1      VAL  65   5.766 -10.469  -1.858
  510   HG13  VAL  65          3HG1      VAL  65   4.063 -10.587  -2.346
  511   HG21  VAL  65          3HG2      VAL  65   7.423  -9.462  -3.481
  512   HG22  VAL  65          1HG2      VAL  65   6.798 -10.580  -4.718
  513   HG23  VAL  65          2HG2      VAL  65   6.852  -8.844  -5.027
  514    H    LYS  66           H        LYS  66   2.080  -8.131  -5.292
  515    HA   LYS  66           HA       LYS  66   3.374  -6.347  -7.323
  516    HB2  LYS  66           2HB      LYS  66   1.259  -6.248  -8.497
  517    HB3  LYS  66           3HB      LYS  66   1.786  -7.921  -8.296
  518    HG2  LYS  66           2HG      LYS  66   0.128  -8.228  -6.465
  519    HG3  LYS  66           3HG      LYS  66  -0.321  -6.521  -6.598
  520    HD2  LYS  66           2HD      LYS  66  -2.000  -7.758  -7.739
  521    HD3  LYS  66           3HD      LYS  66  -1.034  -6.914  -8.961
  522    HE2  LYS  66           2HE      LYS  66   0.227  -9.021  -9.408
  523    HE3  LYS  66           3HE      LYS  66  -0.784  -9.858  -8.212
  524    HZ1  LYS  66           3HZ      LYS  66  -2.731  -9.360  -9.610
  525    HZ2  LYS  66           1HZ      LYS  66  -1.809  -8.554 -10.699
  526    HZ3  LYS  66           2HZ      LYS  66  -1.624 -10.160 -10.503
  527    H    HIS  67           H        HIS  67   2.115  -4.317  -7.729
  528    HA   HIS  67           HA       HIS  67   1.726  -2.905  -5.121
  529    HB2  HIS  67           2HB      HIS  67   3.118  -1.989  -7.659
  530    HB3  HIS  67           3HB      HIS  67   2.940  -1.047  -6.178
  531    HD2  HIS  67           HD2      HIS  67   4.709  -4.219  -7.534
  532    HE1  HIS  67           HE1      HIS  67   6.199  -3.656  -3.600
  533    HE2  HIS  67           HE2      HIS  67   6.387  -5.065  -5.709
  534    H    TYR  68           H        TYR  68   0.444  -0.952  -5.160
  535    HA   TYR  68           HA       TYR  68  -1.910  -1.252  -6.966
  536    HB2  TYR  68           2HB      TYR  68  -1.782  -1.720  -4.416
  537    HB3  TYR  68           3HB      TYR  68  -1.891   0.025  -4.254
  538    HD1  TYR  68           HD1      TYR  68  -3.576  -3.029  -5.558
  539    HD2  TYR  68           HD2      TYR  68  -4.046   1.070  -4.299
  540    HE1  TYR  68           HE1      TYR  68  -6.039  -3.351  -5.408
  541    HE2  TYR  68           HE2      TYR  68  -6.509   0.747  -4.155
  542    HH   TYR  68           HH       TYR  68  -8.017  -2.436  -4.804
  543    H    LEU  69           H        LEU  69   0.383   0.963  -7.483
  544    HA   LEU  69           HA       LEU  69  -1.389   3.376  -7.257
  545    HB2  LEU  69           2HB      LEU  69   0.443   3.499  -5.972
  546    HB3  LEU  69           3HB      LEU  69   1.539   2.952  -7.243
  547    HG   LEU  69           HG       LEU  69   1.694   5.245  -6.523
  548   HD11  LEU  69          1HD1      LEU  69   1.112   5.350  -9.464
  549   HD12  LEU  69          2HD1      LEU  69   2.409   6.093  -8.560
  550   HD13  LEU  69          3HD1      LEU  69   2.411   4.343  -8.807
  551   HD21  LEU  69          3HD2      LEU  69  -0.853   5.578  -6.327
  552   HD22  LEU  69          1HD2      LEU  69   0.079   6.933  -6.942
  553   HD23  LEU  69          2HD2      LEU  69  -0.816   5.963  -8.057
  554    H    ILE  70           H        ILE  70  -1.768   4.625  -9.091
  555    HA   ILE  70           HA       ILE  70   0.013   4.470 -11.425
  556    HB   ILE  70           HB       ILE  70  -2.959   4.062 -11.839
  557   HG12  ILE  70          2HG1      ILE  70  -1.742   1.933 -11.282
  558   HG13  ILE  70          3HG1      ILE  70  -2.395   1.967 -12.918
  559   HG21  ILE  70          1HG2      ILE  70  -2.095   5.582 -13.549
  560   HG22  ILE  70          2HG2      ILE  70  -0.707   4.541 -13.847
  561   HG23  ILE  70          3HG2      ILE  70  -2.346   4.014 -14.279
  562   HD11  ILE  70          3HD1      ILE  70  -0.213   0.940 -12.684
  563   HD12  ILE  70          1HD1      ILE  70  -0.263   2.257 -13.886
  564   HD13  ILE  70          2HD1      ILE  70   0.524   2.504 -12.319
  565    H    LEU  71           H        LEU  71  -2.900   6.015  -9.961
  566    HA   LEU  71           HA       LEU  71  -1.987   8.621 -11.127
  567    HB2  LEU  71           2HB      LEU  71  -4.742   7.728 -10.264
  568    HB3  LEU  71           3HB      LEU  71  -4.399   9.113 -11.290
  569    HG   LEU  71           HG       LEU  71  -4.055   6.190 -12.135
  570   HD11  LEU  71          1HD1      LEU  71  -6.387   8.056 -12.573
  571   HD12  LEU  71          2HD1      LEU  71  -6.133   6.511 -13.417
  572   HD13  LEU  71          3HD1      LEU  71  -6.349   6.522 -11.666
  573   HD21  LEU  71          3HD2      LEU  71  -2.713   7.869 -13.448
  574   HD22  LEU  71          1HD2      LEU  71  -3.910   6.951 -14.379
  575   HD23  LEU  71          2HD2      LEU  71  -4.246   8.644 -13.906
  576    HA   PRO  72           HA       PRO  72  -2.351  10.423  -6.988
  577    HB2  PRO  72           2HB      PRO  72  -2.000  13.012  -7.556
  578    HB3  PRO  72           3HB      PRO  72  -0.769  11.834  -8.075
  579    HG2  PRO  72           2HG      PRO  72  -3.039  12.980  -9.744
  580    HG3  PRO  72           3HG      PRO  72  -1.296  12.921 -10.142
  581    HD2  PRO  72           2HD      PRO  72  -3.175  11.000 -10.911
  582    HD3  PRO  72           3HD      PRO  72  -1.430  10.675 -10.740
  583    H    SER  73           H        SER  73  -3.716  13.106  -6.830
  584    HA   SER  73           HA       SER  73  -6.433  12.279  -6.397
  585    HB2  SER  73           2HB      SER  73  -6.801  14.688  -5.871
  586    HB3  SER  73           3HB      SER  73  -5.494  13.921  -4.955
  587    HG   SER  73           HG       SER  73  -4.895  15.979  -5.788
  588    H    GLU  74           H        GLU  74  -8.372  13.048  -7.455
  589    HA   GLU  74           HA       GLU  74  -8.108  14.324 -10.139
  590    HB2  GLU  74           2HB      GLU  74  -9.459  11.677  -9.486
  591    HB3  GLU  74           3HB      GLU  74  -9.756  12.550 -10.983
  592    HG2  GLU  74           2HG      GLU  74  -7.020  11.471 -10.153
  593    HG3  GLU  74           3HG      GLU  74  -8.143  10.696 -11.249
  594    HE2  GLU  74           2HE      GLU  74  -6.027  13.345 -10.866
  595    H    GLU  75           H        GLU  75 -10.558  14.556 -11.018
  596    HA   GLU  75           HA       GLU  75 -11.866  16.234  -8.957
  597    HB2  GLU  75           2HB      GLU  75 -12.878  17.393 -10.784
  598    HB3  GLU  75           3HB      GLU  75 -11.148  17.229 -11.067
  599    HG2  GLU  75           2HG      GLU  75 -11.596  15.341 -12.642
  600    HG3  GLU  75           3HG      GLU  75 -13.328  15.528 -12.365
  601    H    GLU  76           H        GLU  76 -12.569  13.218 -10.544
  602    HA   GLU  76           HA       GLU  76 -15.356  13.294  -9.458
  603    HB2  GLU  76           2HB      GLU  76 -15.996  11.621 -11.024
  604    HB3  GLU  76           3HB      GLU  76 -15.306  13.003 -11.862
  605    HG2  GLU  76           2HG      GLU  76 -13.217  11.791 -12.264
  606    HG3  GLU  76           3HG      GLU  76 -13.775  10.429 -11.291
  607    H    GLY  77           H        GLY  77 -12.775  12.743  -8.081
  608    HA2  GLY  77           2HA      GLY  77 -13.581  10.768  -6.204
  609    HA3  GLY  77           3HA      GLY  77 -12.372  10.068  -7.293
  610    H    ARG  78           H        ARG  78 -11.014   9.976  -5.346
  611    HA   ARG  78           HA       ARG  78  -9.528  12.562  -4.843
  612    HB2  ARG  78           2HB      ARG  78  -9.881  10.341  -2.818
  613    HB3  ARG  78           3HB      ARG  78  -9.021  11.858  -2.585
  614    HG2  ARG  78           2HG      ARG  78 -12.029  11.692  -3.073
  615    HG3  ARG  78           3HG      ARG  78 -11.287  11.621  -1.490
  616    HD2  ARG  78           2HD      ARG  78 -12.023  13.874  -1.835
  617    HD3  ARG  78           3HD      ARG  78 -10.251  13.848  -1.831
  618    HE   ARG  78           HE       ARG  78 -11.442  13.657  -4.509
  619   HH11  ARG  78          1HH1      ARG  78 -10.616  16.062  -2.113
  620   HH12  ARG  78          2HH1      ARG  78 -10.302  17.283  -3.319
  621   HH21  ARG  78          1HH2      ARG  78 -10.866  15.158  -5.997
  622   HH22  ARG  78          2HH2      ARG  78 -10.500  16.781  -5.483
  623    H    LEU  79           H        LEU  79  -7.758  10.179  -3.379
  624    HA   LEU  79           HA       LEU  79  -5.831  10.001  -5.522
  625    HB2  LEU  79           2HB      LEU  79  -6.286   8.206  -3.102
  626    HB3  LEU  79           3HB      LEU  79  -4.901   8.097  -4.185
  627    HG   LEU  79           HG       LEU  79  -5.582  10.476  -2.404
  628   HD11  LEU  79          1HD1      LEU  79  -3.562   9.805  -1.176
  629   HD12  LEU  79          2HD1      LEU  79  -4.745   8.487  -1.196
  630   HD13  LEU  79          3HD1      LEU  79  -3.333   8.427  -2.272
  631   HD21  LEU  79          3HD2      LEU  79  -3.283  11.275  -3.052
  632   HD22  LEU  79          1HD2      LEU  79  -3.241  10.017  -4.303
  633   HD23  LEU  79          2HD2      LEU  79  -4.445  11.330  -4.378
  634    H    TYR  80           H        TYR  80  -6.284   9.056  -7.476
  635    HA   TYR  80           HA       TYR  80  -8.561   7.349  -7.666
  636    HB2  TYR  80           2HB      TYR  80  -7.782   9.153  -9.244
  637    HB3  TYR  80           3HB      TYR  80  -6.795   7.925  -9.979
  638    HD1  TYR  80           HD1      TYR  80  -8.147   5.636 -10.657
  639    HD2  TYR  80           HD2      TYR  80  -9.926   9.519 -10.001
  640    HE1  TYR  80           HE1      TYR  80 -10.102   4.980 -12.026
  641    HE2  TYR  80           HE2      TYR  80 -11.835   8.884 -11.445
  642    HH   TYR  80           HH       TYR  80 -12.094   5.651 -12.940
  643    H    PHE  81           H        PHE  81  -8.857   5.270  -8.109
  644    HA   PHE  81           HA       PHE  81  -6.779   3.437  -8.579
  645    HB2  PHE  81           2HB      PHE  81  -8.256   2.858  -6.057
  646    HB3  PHE  81           3HB      PHE  81  -6.986   1.904  -6.779
  647    HD1  PHE  81           HD1      PHE  81  -4.644   2.614  -6.624
  648    HD2  PHE  81           HD2      PHE  81  -7.753   4.780  -4.606
  649    HE1  PHE  81           HE1      PHE  81  -2.953   3.573  -5.034
  650    HE2  PHE  81           HE2      PHE  81  -6.084   5.742  -3.050
  651    HZ   PHE  81           HZ       PHE  81  -3.681   5.155  -3.279
  652    H    SER  82           H        SER  82  -7.340   1.474  -9.497
  653    HA   SER  82           HA       SER  82 -10.186   0.964 -10.030
  654    HB2  SER  82           2HB      SER  82 -10.128   1.407 -12.335
  655    HB3  SER  82           3HB      SER  82  -9.319   2.742 -11.478
  656    HG   SER  82           HG       SER  82  -8.252   1.933 -13.429
  657    H    MET  83           H        MET  83  -7.400  -0.663  -9.384
  658    HA   MET  83           HA       MET  83  -6.989  -2.873 -10.349
  659    HB2  MET  83           2HB      MET  83  -7.331  -4.214  -8.412
  660    HB3  MET  83           3HB      MET  83  -7.088  -2.566  -7.820
  661    HG2  MET  83           2HG      MET  83  -9.430  -2.323  -7.314
  662    HG3  MET  83           3HG      MET  83  -9.804  -3.881  -8.068
  663    HE1  MET  83           3HE      MET  83 -10.495  -4.737  -4.343
  664    HE2  MET  83           1HE      MET  83 -10.823  -3.190  -5.152
  665    HE3  MET  83           2HE      MET  83 -11.143  -4.724  -5.998
  666    H    ASP  84           H        ASP  84  -7.673  -4.966 -11.050
  667    HA   ASP  84           HA       ASP  84  -9.730  -4.993 -12.768
  668    HB2  ASP  84           2HB      ASP  84  -7.803  -6.540 -12.683
  669    HB3  ASP  84           3HB      ASP  84  -8.684  -7.512 -11.509
  670    H    ASP  85           H        ASP  85 -10.416  -5.838  -9.387
  671    HA   ASP  85           HA       ASP  85 -13.268  -6.232 -10.221
  672    HB2  ASP  85           2HB      ASP  85 -12.114  -8.250  -9.279
  673    HB3  ASP  85           3HB      ASP  85 -11.967  -7.381  -7.745
  674    H    GLY  86           H        GLY  86 -11.734  -3.684  -9.494
  675    HA2  GLY  86           2HA      GLY  86 -13.654  -2.650  -7.459
  676    HA3  GLY  86           3HA      GLY  86 -11.932  -2.469  -7.186
  677    H    GLN  87           H        GLN  87 -13.408  -0.420  -7.014
  678    HA   GLN  87           HA       GLN  87 -12.479   1.477  -9.112
  679    HB2  GLN  87           2HB      GLN  87 -14.662   2.686  -8.902
  680    HB3  GLN  87           3HB      GLN  87 -14.820   1.117  -9.683
  681    HG2  GLN  87           2HG      GLN  87 -16.173   0.276  -8.055
  682    HG3  GLN  87           3HG      GLN  87 -15.215   0.949  -6.737
  683   HE21  GLN  87          2HE2      GLN  87 -15.351   3.421  -6.518
  684   HE22  GLN  87          1HE2      GLN  87 -16.969   4.114  -6.712
  685    H    THR  88           H        THR  88 -10.966   1.008  -7.036
  686    HA   THR  88           HA       THR  88 -11.858   2.344  -4.706
  687    HB   THR  88           HB       THR  88  -9.544   1.509  -3.772
  688    HG1  THR  88           1HG      THR  88  -8.747  -0.139  -5.147
  689   HG21  THR  88          1HG2      THR  88 -11.709   0.381  -3.331
  690   HG22  THR  88          2HG2      THR  88 -11.661  -0.399  -4.920
  691   HG23  THR  88          3HG2      THR  88 -10.449  -0.816  -3.678
  692    H    ARG  89           H        ARG  89 -10.502   3.807  -6.960
  693    HA   ARG  89           HA       ARG  89  -9.357   6.000  -6.392
  694    HB2  ARG  89           2HB      ARG  89 -10.741   7.250  -7.991
  695    HB3  ARG  89           3HB      ARG  89 -10.727   5.565  -8.478
  696    HG2  ARG  89           2HG      ARG  89 -12.989   5.253  -7.448
  697    HG3  ARG  89           3HG      ARG  89 -12.987   6.961  -6.961
  698    HD2  ARG  89           2HD      ARG  89 -12.624   7.570  -9.365
  699    HD3  ARG  89           3HD      ARG  89 -12.876   5.859  -9.795
  700    HE   ARG  89           HE       ARG  89 -15.100   6.755  -8.260
  701   HH11  ARG  89          1HH2      ARG  89 -13.746   7.286 -11.469
  702   HH12  ARG  89          2HH2      ARG  89 -15.130   8.228 -11.983
  703   HH21  ARG  89          1HH1      ARG  89 -16.952   7.744  -9.129
  704   HH22  ARG  89          2HH1      ARG  89 -16.934   8.258 -10.793
  705    H    PHE  90           H        PHE  90 -10.444   5.686  -3.759
  706    HA   PHE  90           HA       PHE  90 -11.004   8.539  -3.204
  707    HB2  PHE  90           2HB      PHE  90 -12.341   6.158  -1.892
  708    HB3  PHE  90           3HB      PHE  90 -12.426   7.811  -1.293
  709    HD1  PHE  90           HD1      PHE  90 -13.520   9.613  -2.686
  710    HD2  PHE  90           HD2      PHE  90 -13.705   5.441  -3.770
  711    HE1  PHE  90           HE1      PHE  90 -15.378  10.103  -4.261
  712    HE2  PHE  90           HE2      PHE  90 -15.568   5.935  -5.336
  713    HZ   PHE  90           HZ       PHE  90 -16.401   8.268  -5.590
  714    H    THR  91           H        THR  91 -10.269   9.170  -0.967
  715    HA   THR  91           HA       THR  91  -7.534   8.508  -0.702
  716    HB   THR  91           HB       THR  91  -9.245   9.767   1.480
  717    HG1  THR  91           1HG      THR  91  -8.759  11.704   0.384
  718   HG21  THR  91          1HG2      THR  91  -7.196  11.113   1.891
  719   HG22  THR  91          2HG2      THR  91  -6.877   9.394   2.125
  720   HG23  THR  91          3HG2      THR  91  -6.338  10.197   0.632
  721    H    ASP  92           H        ASP  92  -6.364   7.192   0.780
  722    HA   ASP  92           HA       ASP  92  -7.547   4.726   1.462
  723    HB2  ASP  92           2HB      ASP  92  -5.157   5.082   0.995
  724    HB3  ASP  92           3HB      ASP  92  -4.993   6.037   2.472
  725    H    LEU  93           H        LEU  93  -7.013   7.617   3.468
  726    HA   LEU  93           HA       LEU  93  -7.608   6.469   5.934
  727    HB2  LEU  93           2HB      LEU  93  -6.539   8.669   5.567
  728    HB3  LEU  93           3HB      LEU  93  -8.069   9.322   4.975
  729    HG   LEU  93           HG       LEU  93  -9.078   9.046   7.218
  730   HD11  LEU  93          1HD1      LEU  93  -6.312   8.047   8.044
  731   HD12  LEU  93          2HD1      LEU  93  -7.615   8.503   9.166
  732   HD13  LEU  93          3HD1      LEU  93  -7.829   7.118   8.094
  733   HD21  LEU  93          3HD2      LEU  93  -6.395  10.482   7.280
  734   HD22  LEU  93          1HD2      LEU  93  -7.915  11.138   6.634
  735   HD23  LEU  93          2HD2      LEU  93  -7.776  10.777   8.362
  736    H    LEU  94           H        LEU  94  -9.849   7.372   3.386
  737    HA   LEU  94           HA       LEU  94 -12.253   7.412   5.079
  738    HB2  LEU  94           2HB      LEU  94 -11.956   7.183   2.054
  739    HB3  LEU  94           3HB      LEU  94 -13.451   7.493   2.924
  740    HG   LEU  94           HG       LEU  94 -11.044   9.371   2.884
  741   HD11  LEU  94          1HD1      LEU  94 -12.435  10.784   1.442
  742   HD12  LEU  94          2HD1      LEU  94 -12.157   9.201   0.696
  743   HD13  LEU  94          3HD1      LEU  94 -13.725   9.559   1.456
  744   HD21  LEU  94          3HD2      LEU  94 -13.856   9.752   4.000
  745   HD22  LEU  94          1HD2      LEU  94 -12.349   9.668   4.943
  746   HD23  LEU  94          2HD2      LEU  94 -12.623  11.025   3.848
  747    H    GLN  95           H        GLN  95 -10.527   5.005   3.075
  748    HA   GLN  95           HA       GLN  95 -12.503   2.904   3.466
  749    HB2  GLN  95           2HB      GLN  95  -9.858   3.321   2.105
  750    HB3  GLN  95           3HB      GLN  95 -10.150   1.718   2.719
  751    HG2  GLN  95           2HG      GLN  95 -10.890   1.841   0.409
  752    HG3  GLN  95           3HG      GLN  95 -12.280   1.574   1.456
  753   HE21  GLN  95          2HE2      GLN  95 -14.004   3.112   1.351
  754   HE22  GLN  95          1HE2      GLN  95 -13.879   4.588   0.413
  755    H    LEU  96           H        LEU  96  -9.420   3.852   5.010
  756    HA   LEU  96           HA       LEU  96  -8.844   1.678   6.566
  757    HB2  LEU  96           2HB      LEU  96  -7.517   3.702   6.243
  758    HB3  LEU  96           3HB      LEU  96  -8.576   4.628   7.294
  759    HG   LEU  96           HG       LEU  96  -7.100   2.176   8.325
  760   HD11  LEU  96          1HD1      LEU  96  -5.428   3.644   7.263
  761   HD12  LEU  96          2HD1      LEU  96  -6.044   5.034   8.183
  762   HD13  LEU  96          3HD1      LEU  96  -5.264   3.672   9.022
  763   HD21  LEU  96          3HD2      LEU  96  -8.066   4.751   9.671
  764   HD22  LEU  96          1HD2      LEU  96  -8.751   3.130   9.908
  765   HD23  LEU  96          2HD2      LEU  96  -7.125   3.473  10.468
  766    H    VAL  97           H        VAL  97 -11.220   4.209   7.491
  767    HA   VAL  97           HA       VAL  97 -11.748   3.268  10.122
  768    HB   VAL  97           HB       VAL  97 -13.581   4.746   8.189
  769   HG11  VAL  97          1HG1      VAL  97 -14.941   3.801  10.009
  770   HG12  VAL  97          2HG1      VAL  97 -13.789   4.417  11.217
  771   HG13  VAL  97          3HG1      VAL  97 -14.757   5.539  10.238
  772   HG21  VAL  97          3HG2      VAL  97 -11.487   5.976   8.682
  773   HG22  VAL  97          1HG2      VAL  97 -12.865   6.752   9.460
  774   HG23  VAL  97          2HG2      VAL  97 -11.755   5.752  10.422
  775    H    GLU  98           H        GLU  98 -13.274   2.309   7.039
  776    HA   GLU  98           HA       GLU  98 -15.062   0.329   8.301
  777    HB2  GLU  98           2HB      GLU  98 -15.845   1.568   6.383
  778    HB3  GLU  98           3HB      GLU  98 -14.397   1.187   5.460
  779    HG2  GLU  98           2HG      GLU  98 -16.290  -0.117   4.670
  780    HG3  GLU  98           3HG      GLU  98 -14.982  -1.118   5.288
  781    H    PHE  99           H        PHE  99 -11.995   0.274   6.530
  782    HA   PHE  99           HA       PHE  99 -11.799  -2.606   6.457
  783    HB2  PHE  99           2HB      PHE  99  -9.849  -0.350   5.901
  784    HB3  PHE  99           3HB      PHE  99  -9.410  -2.030   5.742
  785    HD1  PHE  99           HD1      PHE  99 -12.836  -1.723   4.618
  786    HD2  PHE  99           HD2      PHE  99  -8.732  -1.008   3.477
  787    HE1  PHE  99           HE1      PHE  99 -13.493  -1.740   2.244
  788    HE2  PHE  99           HE2      PHE  99  -9.400  -1.059   1.090
  789    HZ   PHE  99           HZ       PHE  99 -11.781  -1.423   0.467
  790    H    HIS 100           H        HIS 100 -11.011  -0.451   9.096
  791    HA   HIS 100           HA       HIS 100  -8.760  -1.720  10.090
  792    HB2  HIS 100           2HB      HIS 100  -9.019  -0.587  12.060
  793    HB3  HIS 100           3HB      HIS 100  -9.916   0.416  10.949
  794    HD1  HIS 100           HD1      HIS 100 -12.705   0.353  11.324
  795    HD2  HIS 100           HD2      HIS 100 -10.253  -1.694  14.104
  796    HE1  HIS 100           HE1      HIS 100 -14.176  -0.145  13.370
  797    HE2  HIS 100           HE2      HIS 100 -12.680  -1.389  15.061
  798    H    GLN 101           H        GLN 101 -12.101  -2.788  10.745
  799    HA   GLN 101           HA       GLN 101 -11.166  -5.125  12.244
  800    HB2  GLN 101           2HB      GLN 101 -13.351  -5.613  12.759
  801    HB3  GLN 101           3HB      GLN 101 -13.207  -3.874  12.895
  802    HG2  GLN 101           2HG      GLN 101 -14.559  -5.392  10.613
  803    HG3  GLN 101           3HG      GLN 101 -15.372  -4.646  11.972
  804   HE21  GLN 101          2HE2      GLN 101 -16.226  -3.918   9.444
  805   HE22  GLN 101          1HE2      GLN 101 -15.509  -2.372   8.990
  806    H    LEU 102           H        LEU 102 -12.406  -4.514   8.976
  807    HA   LEU 102           HA       LEU 102 -11.521  -7.200   8.066
  808    HB2  LEU 102           2HB      LEU 102 -14.365  -6.111   7.875
  809    HB3  LEU 102           3HB      LEU 102 -13.766  -7.394   6.834
  810    HG   LEU 102           HG       LEU 102 -13.942  -7.614   9.866
  811   HD11  LEU 102          1HD1      LEU 102 -15.848  -9.092   9.421
  812   HD12  LEU 102          2HD1      LEU 102 -16.154  -7.462   8.800
  813   HD13  LEU 102          3HD1      LEU 102 -15.713  -8.769   7.677
  814   HD21  LEU 102          3HD2      LEU 102 -12.209  -9.113   8.935
  815   HD22  LEU 102          1HD2      LEU 102 -13.624 -10.041   9.431
  816   HD23  LEU 102          2HD2      LEU 102 -13.355  -9.697   7.708
  817    H    ASN 103           H        ASN 103  -9.866  -5.928   7.090
  818    HA   ASN 103           HA       ASN 103 -10.438  -4.080   4.931
  819    HB2  ASN 103           2HB      ASN 103  -8.323  -4.184   6.217
  820    HB3  ASN 103           3HB      ASN 103  -7.973  -5.779   5.549
  821   HD21  ASN 103          2HD2      ASN 103  -6.143  -3.768   5.331
  822   HD22  ASN 103          1HD2      ASN 103  -6.075  -3.208   3.652
  823    H    ARG 104           H        ARG 104 -10.823  -4.505   2.751
  824    HA   ARG 104           HA       ARG 104 -11.704  -7.217   2.054
  825    HB2  ARG 104           2HB      ARG 104 -11.708  -4.512   0.688
  826    HB3  ARG 104           3HB      ARG 104 -12.066  -5.962  -0.229
  827    HG2  ARG 104           2HG      ARG 104 -14.088  -4.819   0.559
  828    HG3  ARG 104           3HG      ARG 104 -13.985  -6.499   1.089
  829    HD2  ARG 104           2HD      ARG 104 -13.477  -5.866   3.350
  830    HD3  ARG 104           3HD      ARG 104 -13.201  -4.177   2.879
  831    HE   ARG 104           HE       ARG 104 -15.861  -4.941   2.160
  832   HH11  ARG 104          1HH1      ARG 104 -14.110  -4.319   5.186
  833   HH12  ARG 104          2HH1      ARG 104 -15.506  -3.426   5.814
  834   HH21  ARG 104          1HH2      ARG 104 -17.582  -3.915   3.253
  835   HH22  ARG 104          2HH2      ARG 104 -17.261  -3.304   4.879
  836    H    GLY 105           H        GLY 105  -8.674  -6.086   2.173
  837    HA2  GLY 105           2HA      GLY 105  -6.627  -6.442   1.129
  838    HA3  GLY 105           3HA      GLY 105  -7.266  -8.044   0.846
  839    H    ILE 106           H        ILE 106  -5.882  -8.072  -0.982
  840    HA   ILE 106           HA       ILE 106  -6.618  -6.438  -3.351
  841    HB   ILE 106           HB       ILE 106  -4.292  -7.261  -2.799
  842   HG12  ILE 106          2HG1      ILE 106  -3.498  -7.519  -5.050
  843   HG13  ILE 106          3HG1      ILE 106  -5.014  -8.072  -5.649
  844   HG21  ILE 106          1HG2      ILE 106  -4.986  -9.668  -2.362
  845   HG22  ILE 106          2HG2      ILE 106  -5.154  -9.882  -4.104
  846   HG23  ILE 106          3HG2      ILE 106  -3.575  -9.472  -3.429
  847   HD11  ILE 106          3HD1      ILE 106  -4.467  -5.717  -6.262
  848   HD12  ILE 106          1HD1      ILE 106  -6.012  -5.853  -5.415
  849   HD13  ILE 106          2HD1      ILE 106  -4.576  -5.263  -4.546
  850    H    LEU 107           H        LEU 107  -6.745  -7.934  -5.538
  851    HA   LEU 107           HA       LEU 107  -9.233  -8.979  -5.945
  852    HB2  LEU 107           2HB      LEU 107  -6.492  -9.672  -7.059
  853    HB3  LEU 107           3HB      LEU 107  -7.876 -10.571  -7.627
  854    HG   LEU 107           HG       LEU 107  -7.865  -7.519  -7.829
  855   HD11  LEU 107          1HD1      LEU 107  -5.842  -8.446  -8.950
  856   HD12  LEU 107          2HD1      LEU 107  -6.891  -9.524  -9.900
  857   HD13  LEU 107          3HD1      LEU 107  -7.009  -7.755 -10.074
  858   HD21  LEU 107          3HD2      LEU 107  -9.305  -9.735  -9.350
  859   HD22  LEU 107          1HD2      LEU 107 -10.017  -8.741  -8.060
  860   HD23  LEU 107          2HD2      LEU 107  -9.505  -7.987  -9.564
  861    HA   PRO 108           HA       PRO 108  -9.763 -11.303  -3.007
  862    HB2  PRO 108           2HB      PRO 108 -11.966 -12.935  -4.245
  863    HB3  PRO 108           3HB      PRO 108 -12.038 -11.721  -2.928
  864    HG2  PRO 108           2HG      PRO 108 -12.821 -11.059  -5.421
  865    HG3  PRO 108           3HG      PRO 108 -11.754  -9.922  -4.518
  866    HD2  PRO 108           2HD      PRO 108 -10.921 -12.092  -6.489
  867    HD3  PRO 108           3HD      PRO 108 -10.568 -10.360  -6.589
  868    H    CYS 109           H        CYS 109  -7.550 -12.822  -3.586
  869    HA   CYS 109           HA       CYS 109  -7.873 -15.625  -3.210
  870    HB2  CYS 109           2HB      CYS 109  -5.567 -13.662  -2.689
  871    HB3  CYS 109           3HB      CYS 109  -5.466 -15.406  -2.807
  872    HG   CYS 109           HG       CYS 109  -6.480 -13.273  -5.138
  873    H    LEU 110           H        LEU 110  -6.833 -13.029  -0.982
  874    HA   LEU 110           HA       LEU 110  -8.221 -14.160   1.347
  875    HB2  LEU 110           2HB      LEU 110  -5.335 -14.193   0.899
  876    HB3  LEU 110           3HB      LEU 110  -5.680 -13.039   2.157
  877    HG   LEU 110           HG       LEU 110  -5.115 -15.218   2.982
  878   HD11  LEU 110          1HD1      LEU 110  -6.534 -13.747   4.361
  879   HD12  LEU 110          2HD1      LEU 110  -7.997 -14.510   3.671
  880   HD13  LEU 110          3HD1      LEU 110  -6.875 -15.455   4.664
  881   HD21  LEU 110          3HD2      LEU 110  -6.125 -16.637   1.229
  882   HD22  LEU 110          1HD2      LEU 110  -6.524 -17.157   2.875
  883   HD23  LEU 110          2HD2      LEU 110  -7.732 -16.296   1.907
  884    H    LEU 111           H        LEU 111  -7.803 -12.215   3.186
  885    HA   LEU 111           HA       LEU 111  -8.208  -9.644   1.800
  886    HB2  LEU 111           2HB      LEU 111 -10.357  -9.194   2.511
  887    HB3  LEU 111           3HB      LEU 111 -10.328 -10.719   1.707
  888    HG   LEU 111           HG       LEU 111 -11.888 -11.049   3.294
  889   HD11  LEU 111          1HD1      LEU 111 -10.261 -12.888   3.479
  890   HD12  LEU 111          2HD1      LEU 111  -9.505 -12.066   4.873
  891   HD13  LEU 111          3HD1      LEU 111 -11.185 -12.608   4.958
  892   HD21  LEU 111          3HD2      LEU 111 -10.252  -9.526   5.333
  893   HD22  LEU 111          1HD2      LEU 111 -11.716  -9.014   4.500
  894   HD23  LEU 111          2HD2      LEU 111 -11.795 -10.353   5.657
  895    H    ARG 112           H        ARG 112  -8.094 -10.905   5.201
  896    HA   ARG 112           HA       ARG 112  -7.756  -8.263   6.233
  897    HB2  ARG 112           2HB      ARG 112  -7.357  -9.256   8.366
  898    HB3  ARG 112           3HB      ARG 112  -8.670 -10.101   7.552
  899    HG2  ARG 112           2HG      ARG 112  -7.063 -11.935   6.927
  900    HG3  ARG 112           3HG      ARG 112  -5.792 -11.111   7.840
  901    HD2  ARG 112           2HD      ARG 112  -8.433 -12.087   8.999
  902    HD3  ARG 112           3HD      ARG 112  -6.893 -12.962   9.089
  903    HE   ARG 112           HE       ARG 112  -6.341 -10.445  10.158
  904   HH11  ARG 112          1HH1      ARG 112  -8.463 -13.088  11.037
  905   HH12  ARG 112          2HH1      ARG 112  -8.435 -12.677  12.731
  906   HH21  ARG 112          1HH2      ARG 112  -6.360  -9.955  12.334
  907   HH22  ARG 112          2HH2      ARG 112  -7.262 -10.949  13.439
  908    H    HIS 113           H        HIS 113  -6.020  -7.085   7.002
  909    HA   HIS 113           HA       HIS 113  -3.294  -7.940   6.141
  910    HB2  HIS 113           2HB      HIS 113  -2.667  -5.591   6.184
  911    HB3  HIS 113           3HB      HIS 113  -3.865  -5.978   5.025
  912    HD2  HIS 113           HD2      HIS 113  -3.015  -3.150   6.766
  913    HE1  HIS 113           HE1      HIS 113  -7.012  -3.359   8.242
  914    HE2  HIS 113           HE2      HIS 113  -4.959  -1.865   7.992
  915    H    CYS 114           H        CYS 114  -1.578  -7.032   7.298
  916    HA   CYS 114           HA       CYS 114  -1.750  -6.922  10.273
  917    HB2  CYS 114           2HB      CYS 114  -0.092  -8.755   8.519
  918    HB3  CYS 114           3HB      CYS 114   0.030  -8.694  10.276
  919    HG   CYS 114           HG       CYS 114  -2.475  -9.408  10.743
  920    H    CYS 115           H        CYS 115   1.132  -7.116  10.485
  921    HA   CYS 115           HA       CYS 115   2.097  -4.616   9.127
  922    HB2  CYS 115           2HB      CYS 115   2.804  -5.671  11.899
  923    HB3  CYS 115           3HB      CYS 115   3.597  -4.310  11.088
  924    HG   CYS 115           HG       CYS 115   0.376  -4.641  11.818
  925    H    THR 116           H        THR 116   3.972  -4.771   7.970
  926    HA   THR 116           HA       THR 116   5.169  -7.503   7.726
  927    HB   THR 116           HB       THR 116   3.792  -6.425   5.879
  928    HG1  THR 116           1HG      THR 116   4.856  -7.589   4.501
  929   HG21  THR 116          1HG2      THR 116   4.953  -5.086   4.240
  930   HG22  THR 116          2HG2      THR 116   4.965  -4.216   5.787
  931   HG23  THR 116          3HG2      THR 116   6.430  -5.049   5.215
  932    H    ARG 117           H        ARG 117   7.382  -7.534   6.652
  933    HA   ARG 117           HA       ARG 117   9.246  -5.922   8.317
  934    HB2  ARG 117           2HB      ARG 117   9.454  -8.404   8.178
  935    HB3  ARG 117           3HB      ARG 117   9.789  -8.268   6.447
  936    HG2  ARG 117           2HG      ARG 117  11.791  -6.856   6.974
  937    HG3  ARG 117           3HG      ARG 117  11.472  -7.059   8.701
  938    HD2  ARG 117           2HD      ARG 117  12.032  -9.317   6.728
  939    HD3  ARG 117           3HD      ARG 117  13.241  -8.575   7.793
  940    HE   ARG 117           HE       ARG 117  11.153  -9.401   9.478
  941   HH11  ARG 117          1HH1      ARG 117  13.477 -10.991   7.398
  942   HH12  ARG 117          2HH1      ARG 117  13.462 -12.460   8.335
  943   HH21  ARG 117          1HH2      ARG 117  11.164 -11.308  10.631
  944   HH22  ARG 117          2HH2      ARG 117  12.182 -12.625  10.128
  945    H    VAL 118           H        VAL 118  10.199  -4.158   7.550
  946    HA   VAL 118           HA       VAL 118  10.048  -3.487   4.659
  947    HB   VAL 118           HB       VAL 118  10.988  -1.758   6.969
  948   HG11  VAL 118          1HG1      VAL 118  10.082  -1.057   4.135
  949   HG12  VAL 118          2HG1      VAL 118  10.471   0.108   5.418
  950   HG13  VAL 118          3HG1      VAL 118  11.738  -0.924   4.767
  951   HG21  VAL 118          3HG2      VAL 118   8.723  -0.694   6.787
  952   HG22  VAL 118          1HG2      VAL 118   8.232  -2.000   5.684
  953   HG23  VAL 118          2HG2      VAL 118   8.647  -2.353   7.373
  954    H    ALA 119           H        ALA 119  12.533  -4.091   7.138
  955    HA   ALA 119           HA       ALA 119  14.764  -3.400   5.427
  956    HB1  ALA 119           3HB      ALA 119  16.101  -4.171   7.341
  957    HB2  ALA 119           1HB      ALA 119  14.786  -3.109   7.876
  958    HB3  ALA 119           2HB      ALA 119  14.653  -4.871   8.093
  959    H    LEU 120           H        LEU 120  16.555  -4.854   4.983
  960    HA   LEU 120           HA       LEU 120  15.756  -7.602   4.136
  961    HB2  LEU 120           2HB      LEU 120  16.222  -6.069   2.259
  962    HB3  LEU 120           3HB      LEU 120  17.803  -5.696   2.941
  963    HG   LEU 120           HG       LEU 120  18.524  -8.046   2.612
  964   HD11  LEU 120          1HD1      LEU 120  16.378  -9.230   2.716
  965   HD12  LEU 120          2HD1      LEU 120  15.810  -8.388   1.258
  966   HD13  LEU 120          3HD1      LEU 120  17.160  -9.539   1.165
  967   HD21  LEU 120          3HD2      LEU 120  17.383  -6.731   0.113
  968   HD22  LEU 120          1HD2      LEU 120  18.934  -6.338   0.883
  969   HD23  LEU 120          2HD2      LEU 120  18.684  -7.939   0.168
  970    H2   PRO1135           H2       PRO1135   5.443 -12.147 -17.815
  971    H3   PRO1135           H3       PRO1135   6.860 -12.988 -17.861
  972    HA   PRO1135           HA       PRO1135   8.170 -11.055 -17.710
  973    HB2  PRO1135           2HB      PRO1135   5.761  -9.257 -17.993
  974    HB3  PRO1135           3HB      PRO1135   7.446  -9.008 -18.540
  975    HG2  PRO1135           2HG      PRO1135   5.218 -10.160 -20.017
  976    HG3  PRO1135           3HG      PRO1135   6.904  -9.994 -20.589
  977    HD2  PRO1135           2HD      PRO1135   5.730 -12.446 -20.130
  978    HD3  PRO1135           3HD      PRO1135   7.472 -12.134 -19.950
  979    H    GLN1136           H        GLN1136   8.320  -9.324 -15.965
  980    HA   GLN1136           HA       GLN1136   7.367 -10.364 -13.435
  981    HB2  GLN1136           2HB      GLN1136   8.954  -7.905 -14.255
  982    HB3  GLN1136           3HB      GLN1136   8.482  -8.209 -12.583
  983    HG2  GLN1136           2HG      GLN1136   9.697 -10.322 -12.541
  984    HG3  GLN1136           3HG      GLN1136  10.095 -10.178 -14.258
  985   HE21  GLN1136          2HE2      GLN1136  10.474  -8.280 -11.173
  986   HE22  GLN1136          1HE2      GLN1136  12.103  -7.741 -11.586
  987    HA   PRO1137           HA       PRO1137   3.709  -7.755 -13.038
  988    HB2  PRO1137           2HB      PRO1137   3.257  -7.853 -10.357
  989    HB3  PRO1137           3HB      PRO1137   3.031  -9.277 -11.419
  990    HG2  PRO1137           2HG      PRO1137   5.434  -8.597  -9.699
  991    HG3  PRO1137           3HG      PRO1137   4.568 -10.158  -9.819
  992    HD2  PRO1137           2HD      PRO1137   6.859  -9.622 -11.229
  993    HD3  PRO1137           3HD      PRO1137   5.560 -10.667 -11.882
  994    H    GLU1138           H        GLU1138   3.067  -5.694 -12.195
  995    HA   GLU1138           HA       GLU1138   5.127  -3.980 -10.893
  996    HB2  GLU1138           2HB      GLU1138   3.935  -3.594 -13.640
  997    HB3  GLU1138           3HB      GLU1138   4.204  -2.155 -12.651
  998    HG2  GLU1138           2HG      GLU1138   6.463  -2.575 -12.345
  999    HG3  GLU1138           3HG      GLU1138   6.410  -4.137 -13.192
 1000    H    PTR1139           H        PTR1139   2.547  -2.268 -12.073
 1001    HA   PTR1139           HA       PTR1139   1.261  -1.863  -9.516
 1002    HB2  PTR1139           2HB      PTR1139   1.471  -0.348 -11.986
 1003    HB3  PTR1139           3HB      PTR1139   0.466   0.093 -10.619
 1004    HD1  PTR1139           1HD      PTR1139   1.665   0.238  -8.222
 1005    HD2  PTR1139           2HD      PTR1139   3.857   0.417 -11.968
 1006    HE1  PTR1139           1HE      PTR1139   3.362   1.672  -7.223
 1007    HE2  PTR1139           2HE      PTR1139   5.399   2.162 -10.888
 1008    H    VAL1140           H        VAL1140  -1.239  -1.074 -10.524
 1009    HA   VAL1140           HA       VAL1140  -2.692  -3.387 -11.299
 1010    HB   VAL1140           HB       VAL1140  -2.771  -2.580  -8.283
 1011   HG11  VAL1140          1HG1      VAL1140  -4.775  -3.808  -7.712
 1012   HG12  VAL1140          2HG1      VAL1140  -5.113  -2.427  -8.752
 1013   HG13  VAL1140          3HG1      VAL1140  -5.112  -4.094  -9.431
 1014   HG21  VAL1140          3HG2      VAL1140  -2.783  -4.990  -7.796
 1015   HG22  VAL1140          1HG2      VAL1140  -2.929  -5.345  -9.536
 1016   HG23  VAL1140          2HG2      VAL1140  -1.467  -4.578  -8.883
 1017    H    ASN1141           H        ASN1141  -3.017  -0.081 -10.593
 1018    HA   ASN1141           HA       ASN1141  -5.837  -0.318 -11.454
 1019    HB2  ASN1141           2HB      ASN1141  -4.184   2.160 -11.744
 1020    HB3  ASN1141           3HB      ASN1141  -5.895   2.037 -11.599
 1021   HD21  ASN1141          2HD2      ASN1141  -2.942   2.365  -9.816
 1022   HD22  ASN1141          1HD2      ASN1141  -3.505   1.615  -8.317
 1023    H    GLN1142           H        GLN1142  -2.592  -0.253 -12.890
 1024    HA   GLN1142           HA       GLN1142  -3.208  -2.308 -14.707
 1025    HB2  GLN1142           2HB      GLN1142  -1.539   0.327 -14.786
 1026    HB3  GLN1142           3HB      GLN1142  -1.194  -0.925 -15.917
 1027    HG2  GLN1142           2HG      GLN1142  -2.213   0.889 -17.138
 1028    HG3  GLN1142           3HG      GLN1142  -3.201  -0.560 -17.234
 1029   HE21  GLN1142          2HE2      GLN1142  -3.049   2.578 -15.272
 1030   HE22  GLN1142          1HE2      GLN1142  -4.798   2.665 -15.200
 1031    HA   PRO1143           HA       PRO1143   0.884  -3.112 -13.077
 1032    HB2  PRO1143           2HB      PRO1143   1.889  -5.009 -14.793
 1033    HB3  PRO1143           3HB      PRO1143   0.601  -5.402 -13.611
 1034    HG2  PRO1143           2HG      PRO1143   0.268  -4.669 -16.544
 1035    HG3  PRO1143           3HG      PRO1143  -0.457  -6.048 -15.661
 1036    HD2  PRO1143           2HD      PRO1143  -1.757  -3.639 -16.097
 1037    HD3  PRO1143           3HD      PRO1143  -2.080  -4.679 -14.677
 1038    H    ASP1144           H        ASP1144   0.546  -0.944 -13.943
 1039    HA   ASP1144           HA       ASP1144   0.577   0.798 -15.092
 1040    HB2  ASP1144           2HB      ASP1144   2.397   1.087 -13.571
 1041    HB3  ASP1144           3HB      ASP1144   3.542   0.274 -14.640
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -5.659  -6.368  40.832
    2    H2   GLY   1           H2       GLY   1  -4.702  -7.676  40.580
    3    H3   GLY   1           H3       GLY   1  -6.251  -7.677  40.045
    4    HA2  GLY   1           2HA      GLY   1  -4.090  -5.926  39.055
    5    HA3  GLY   1           3HA      GLY   1  -4.737  -7.339  38.202
    6    H    SER   2           H        SER   2  -4.971  -5.560  36.532
    7    HA   SER   2           HA       SER   2  -6.931  -3.507  36.798
    8    HB2  SER   2           2HB      SER   2  -5.834  -4.821  34.281
    9    HB3  SER   2           3HB      SER   2  -6.703  -3.276  34.352
   10    HG   SER   2           HG       SER   2  -4.432  -2.994  34.350
   11    HA   PRO   3           HA       PRO   3 -10.711  -5.738  36.053
   12    HB2  PRO   3           2HB      PRO   3 -12.401  -3.791  35.158
   13    HB3  PRO   3           3HB      PRO   3 -11.758  -3.825  36.828
   14    HG2  PRO   3           2HG      PRO   3 -10.691  -2.244  34.462
   15    HG3  PRO   3           3HG      PRO   3 -11.076  -1.644  36.107
   16    HD2  PRO   3           2HD      PRO   3  -8.543  -2.325  35.402
   17    HD3  PRO   3           3HD      PRO   3  -9.172  -2.686  37.036
   18    H    ALA   4           H        ALA   4  -9.145  -4.116  33.377
   19    HA   ALA   4           HA       ALA   4 -10.114  -6.173  31.495
   20    HB1  ALA   4           3HB      ALA   4 -11.650  -4.251  31.190
   21    HB2  ALA   4           1HB      ALA   4 -10.259  -3.173  30.936
   22    HB3  ALA   4           2HB      ALA   4 -10.611  -4.470  29.772
   23    H    SER   5           H        SER   5  -8.748  -6.376  29.598
   24    HA   SER   5           HA       SER   5  -5.946  -6.160  30.229
   25    HB2  SER   5           2HB      SER   5  -7.280  -6.969  27.619
   26    HB3  SER   5           3HB      SER   5  -5.599  -7.288  28.089
   27    HG   SER   5           HG       SER   5  -6.963  -9.082  28.490
   28    H    GLY   6           H        GLY   6  -8.040  -3.967  28.554
   29    HA2  GLY   6           2HA      GLY   6  -6.213  -1.872  28.280
   30    HA3  GLY   6           3HA      GLY   6  -6.152  -2.751  26.750
   31    H    THR   7           H        THR   7  -6.864  -0.456  26.175
   32    HA   THR   7           HA       THR   7  -9.831  -0.384  25.837
   33    HB   THR   7           HB       THR   7  -9.732   2.098  25.969
   34    HG1  THR   7           1HG      THR   7  -7.947   3.003  27.029
   35   HG21  THR   7          1HG2      THR   7  -9.711   2.272  28.393
   36   HG22  THR   7          2HG2      THR   7 -10.475   0.746  27.924
   37   HG23  THR   7          3HG2      THR   7  -8.809   0.749  28.542
   38    H    SER   8           H        SER   8 -10.581   0.775  23.951
   39    HA   SER   8           HA       SER   8  -8.914   0.278  21.622
   40    HB2  SER   8           2HB      SER   8 -10.903   1.074  20.359
   41    HB3  SER   8           3HB      SER   8 -11.221  -0.273  21.464
   42    HG   SER   8           HG       SER   8 -12.819   1.366  21.597
   43    H    LEU   9           H        LEU   9  -8.173   1.713  20.094
   44    HA   LEU   9           HA       LEU   9  -8.332   4.614  20.506
   45    HB2  LEU   9           2HB      LEU   9  -6.426   3.749  21.942
   46    HB3  LEU   9           3HB      LEU   9  -5.666   3.129  20.482
   47    HG   LEU   9           HG       LEU   9  -5.467   5.473  19.619
   48   HD11  LEU   9          1HD1      LEU   9  -7.325   6.575  20.817
   49   HD12  LEU   9          2HD1      LEU   9  -6.533   6.241  22.372
   50   HD13  LEU   9          3HD1      LEU   9  -5.792   7.356  21.205
   51   HD21  LEU   9          3HD2      LEU   9  -4.303   5.031  22.397
   52   HD22  LEU   9          1HD2      LEU   9  -3.628   4.416  20.872
   53   HD23  LEU   9          2HD2      LEU   9  -3.692   6.160  21.166
   54    H    SER  10           H        SER  10  -7.830   5.812  18.618
   55    HA   SER  10           HA       SER  10  -8.073   4.421  16.073
   56    HB2  SER  10           2HB      SER  10  -9.052   6.680  16.644
   57    HB3  SER  10           3HB      SER  10  -7.410   7.347  16.529
   58    HG   SER  10           HG       SER  10  -8.607   7.481  14.557
   59    H    ALA  11           H        ALA  11  -6.561   4.981  14.221
   60    HA   ALA  11           HA       ALA  11  -3.890   4.029  14.852
   61    HB1  ALA  11           3HB      ALA  11  -5.030   5.060  12.221
   62    HB2  ALA  11           1HB      ALA  11  -3.533   4.132  12.433
   63    HB3  ALA  11           2HB      ALA  11  -5.091   3.369  12.793
   64    H    ALA  12           H        ALA  12  -1.906   5.060  14.255
   65    HA   ALA  12           HA       ALA  12  -1.858   8.033  14.194
   66    HB1  ALA  12           3HB      ALA  12  -0.088   8.032  15.908
   67    HB2  ALA  12           1HB      ALA  12  -1.582   7.322  16.546
   68    HB3  ALA  12           2HB      ALA  12  -0.229   6.269  16.072
   69    H    ILE  13           H        ILE  13   0.212   8.916  13.494
   70    HA   ILE  13           HA       ILE  13   1.189   7.543  11.149
   71    HB   ILE  13           HB       ILE  13   2.646   9.469  10.821
   72   HG12  ILE  13          2HG1      ILE  13   1.557  10.569  13.453
   73   HG13  ILE  13          3HG1      ILE  13   3.191   9.951  13.208
   74   HG21  ILE  13          1HG2      ILE  13  -0.182  10.323  11.572
   75   HG22  ILE  13          2HG2      ILE  13   0.881  11.056  10.354
   76   HG23  ILE  13          3HG2      ILE  13   0.250   9.430  10.098
   77   HD11  ILE  13          3HD1      ILE  13   3.256  12.350  13.102
   78   HD12  ILE  13          1HD1      ILE  13   3.583  11.714  11.479
   79   HD13  ILE  13          2HD1      ILE  13   1.987  12.404  11.871
   80    H    HIS  14           H        HIS  14   3.345   7.053  10.586
   81    HA   HIS  14           HA       HIS  14   4.805   5.454  12.471
   82    HB2  HIS  14           2HB      HIS  14   6.470   5.401  10.541
   83    HB3  HIS  14           3HB      HIS  14   4.851   4.819  10.197
   84    HD2  HIS  14           HD2      HIS  14   7.256   7.672   9.255
   85    HE1  HIS  14           HE1      HIS  14   3.811   8.115   6.780
   86    HE2  HIS  14           HE2      HIS  14   6.178   8.946   7.217
   87    H    ARG  15           H        ARG  15   6.693   5.804  13.573
   88    HA   ARG  15           HA       ARG  15   7.695   8.591  13.683
   89    HB2  ARG  15           2HB      ARG  15   8.455   8.124  15.965
   90    HB3  ARG  15           3HB      ARG  15   6.745   7.726  15.799
   91    HG2  ARG  15           2HG      ARG  15   7.240   5.339  15.625
   92    HG3  ARG  15           3HG      ARG  15   8.976   5.638  15.586
   93    HD2  ARG  15           2HD      ARG  15   7.162   6.359  17.925
   94    HD3  ARG  15           3HD      ARG  15   8.083   4.848  17.796
   95    HE   ARG  15           HE       ARG  15   9.940   6.931  17.429
   96   HH11  ARG  15          1HH1      ARG  15   7.921   5.782  20.049
   97   HH12  ARG  15          2HH1      ARG  15   9.009   6.371  21.278
   98   HH21  ARG  15          1HH2      ARG  15  11.285   7.676  19.043
   99   HH22  ARG  15          2HH2      ARG  15  10.870   7.415  20.711
  100    H    THR  16           H        THR  16   8.511   6.206  12.184
  101    HA   THR  16           HA       THR  16  11.273   6.969  11.643
  102    HB   THR  16           HB       THR  16  12.328   4.836  11.756
  103    HG1  THR  16           1HG      THR  16  11.125   3.060  12.678
  104   HG21  THR  16          1HG2      THR  16  12.243   6.041  13.946
  105   HG22  THR  16          2HG2      THR  16  10.849   5.032  14.397
  106   HG23  THR  16          3HG2      THR  16  12.426   4.286  14.080
  107    H    GLN  17           H        GLN  17  11.963   5.166   9.686
  108    HA   GLN  17           HA       GLN  17   9.834   5.534   7.684
  109    HB2  GLN  17           2HB      GLN  17  11.560   4.613   6.106
  110    HB3  GLN  17           3HB      GLN  17  11.880   6.155   6.855
  111    HG2  GLN  17           2HG      GLN  17  13.864   4.591   6.629
  112    HG3  GLN  17           3HG      GLN  17  13.616   5.336   8.195
  113   HE21  GLN  17          2HE2      GLN  17  14.052   3.898   9.869
  114   HE22  GLN  17          1HE2      GLN  17  13.525   2.229   9.843
  115    H    LEU  18           H        LEU  18   9.918   3.271  10.013
  116    HA   LEU  18           HA       LEU  18  10.036   0.826   8.759
  117    HB2  LEU  18           2HB      LEU  18   9.197  -0.127  10.674
  118    HB3  LEU  18           3HB      LEU  18   9.901   1.363  11.262
  119    HG   LEU  18           HG       LEU  18   6.933   0.809  10.783
  120   HD11  LEU  18          1HD1      LEU  18   6.743   0.841  13.217
  121   HD12  LEU  18          2HD1      LEU  18   7.877  -0.410  12.691
  122   HD13  LEU  18          3HD1      LEU  18   8.494   1.115  13.369
  123   HD21  LEU  18          3HD2      LEU  18   7.404   3.245  10.521
  124   HD22  LEU  18          1HD2      LEU  18   6.447   2.891  11.960
  125   HD23  LEU  18          2HD2      LEU  18   8.174   3.247  12.122
  126    H    TRP  19           H        TRP  19   7.440   2.932   8.385
  127    HA   TRP  19           HA       TRP  19   5.946   0.901   6.788
  128    HB2  TRP  19           2HB      TRP  19   4.689   2.924   8.655
  129    HB3  TRP  19           3HB      TRP  19   3.803   1.933   7.508
  130    HD1  TRP  19           HD1      TRP  19   5.037  -0.875   7.962
  131    HE1  TRP  19           HE1      TRP  19   4.580  -2.191  10.094
  132    HE3  TRP  19           HE3      TRP  19   3.691   3.010  11.029
  133    HZ2  TRP  19           HZ2      TRP  19   3.816  -1.634  12.829
  134    HZ3  TRP  19           HZ3      TRP  19   3.116   2.581  13.406
  135    HH2  TRP  19           HH2      TRP  19   3.182   0.271  14.318
  136    H    PHE  20           H        PHE  20   7.777   3.525   6.281
  137    HA   PHE  20           HA       PHE  20   6.353   4.110   3.815
  138    HB2  PHE  20           2HB      PHE  20   5.286   5.700   5.386
  139    HB3  PHE  20           3HB      PHE  20   6.865   6.379   5.766
  140    HD1  PHE  20           HD1      PHE  20   4.374   5.857   3.023
  141    HD2  PHE  20           HD2      PHE  20   7.897   8.003   4.281
  142    HE1  PHE  20           HE1      PHE  20   4.196   7.322   1.023
  143    HE2  PHE  20           HE2      PHE  20   7.715   9.469   2.283
  144    HZ   PHE  20           HZ       PHE  20   5.866   9.128   0.652
  145    H    HIS  21           H        HIS  21   7.674   4.233   2.233
  146    HA   HIS  21           HA       HIS  21  10.344   5.548   2.320
  147    HB2  HIS  21           2HB      HIS  21   9.678   2.652   1.602
  148    HB3  HIS  21           3HB      HIS  21  11.023   3.501   0.812
  149    HD2  HIS  21           HD2      HIS  21  10.043   2.058   4.251
  150    HE1  HIS  21           HE1      HIS  21  14.195   3.018   4.405
  151    HE2  HIS  21           HE2      HIS  21  12.261   1.955   5.672
  152    H    GLY  22           H        GLY  22  10.748   6.683   0.067
  153    HA2  GLY  22           2HA      GLY  22   8.762   5.805  -1.937
  154    HA3  GLY  22           3HA      GLY  22   8.987   7.475  -1.624
  155    H    ARG  23           H        ARG  23  11.712   5.239  -1.460
  156    HA   ARG  23           HA       ARG  23  12.313   5.570  -4.319
  157    HB2  ARG  23           2HB      ARG  23  13.546   7.406  -3.449
  158    HB3  ARG  23           3HB      ARG  23  13.889   6.603  -1.940
  159    HG2  ARG  23           2HG      ARG  23  15.933   7.048  -3.033
  160    HG3  ARG  23           3HG      ARG  23  15.705   5.319  -2.915
  161    HD2  ARG  23           2HD      ARG  23  14.949   5.398  -5.401
  162    HD3  ARG  23           3HD      ARG  23  15.449   7.086  -5.378
  163    HE   ARG  23           HE       ARG  23  17.657   6.499  -5.418
  164   HH11  ARG  23          1HH2      ARG  23  15.898   3.557  -4.644
  165   HH12  ARG  23          2HH2      ARG  23  17.296   2.548  -4.942
  166   HH21  ARG  23          1HH1      ARG  23  19.388   5.162  -5.744
  167   HH22  ARG  23          2HH1      ARG  23  19.226   3.446  -5.528
  168    H    ILE  24           H        ILE  24  11.449   3.457  -2.587
  169    HA   ILE  24           HA       ILE  24  13.522   1.390  -3.221
  170    HB   ILE  24           HB       ILE  24  13.072   1.515  -0.825
  171   HG12  ILE  24          2HG1      ILE  24  12.495  -0.972  -0.544
  172   HG13  ILE  24          3HG1      ILE  24  12.316  -1.026  -2.302
  173   HG21  ILE  24          1HG2      ILE  24  11.054   0.884   0.220
  174   HG22  ILE  24          2HG2      ILE  24  10.599   2.113  -0.978
  175   HG23  ILE  24          3HG2      ILE  24  10.308   0.396  -1.300
  176   HD11  ILE  24          3HD1      ILE  24  14.686  -0.341  -2.567
  177   HD12  ILE  24          1HD1      ILE  24  14.844  -0.213  -0.800
  178   HD13  ILE  24          2HD1      ILE  24  14.542  -1.789  -1.559
  179    H    SER  25           H        SER  25  12.878   1.893  -5.313
  180    HA   SER  25           HA       SER  25  10.412   1.832  -6.500
  181    HB2  SER  25           2HB      SER  25  13.049   0.887  -7.671
  182    HB3  SER  25           3HB      SER  25  11.605   1.364  -8.586
  183    HG   SER  25           HG       SER  25  11.729   3.426  -7.634
  184    H    ARG  26           H        ARG  26   9.226   0.380  -7.786
  185    HA   ARG  26           HA       ARG  26   8.389  -1.828  -6.388
  186    HB2  ARG  26           2HB      ARG  26   6.733  -1.582  -7.768
  187    HB3  ARG  26           3HB      ARG  26   7.657  -0.509  -8.733
  188    HG2  ARG  26           2HG      ARG  26   7.687  -3.518  -9.191
  189    HG3  ARG  26           3HG      ARG  26   6.469  -2.445  -9.868
  190    HD2  ARG  26           2HD      ARG  26   9.426  -2.026 -10.385
  191    HD3  ARG  26           3HD      ARG  26   8.416  -3.076 -11.377
  192    HE   ARG  26           HE       ARG  26   7.348  -0.351 -10.991
  193   HH11  ARG  26          1HH1      ARG  26   9.318  -2.239 -13.196
  194   HH12  ARG  26          2HH1      ARG  26   9.505  -0.887 -14.281
  195   HH21  ARG  26          1HH2      ARG  26   7.942   1.289 -12.137
  196   HH22  ARG  26          2HH2      ARG  26   8.589   1.097 -13.762
  197    H    GLU  27           H        GLU  27  10.908  -2.162  -8.818
  198    HA   GLU  27           HA       GLU  27  10.927  -5.069  -8.623
  199    HB2  GLU  27           2HB      GLU  27  12.795  -5.053 -10.037
  200    HB3  GLU  27           3HB      GLU  27  11.617  -3.926 -10.679
  201    HG2  GLU  27           2HG      GLU  27  13.987  -2.955  -9.024
  202    HG3  GLU  27           3HG      GLU  27  14.157  -3.369 -10.717
  203    H    GLU  28           H        GLU  28  12.465  -2.510  -6.820
  204    HA   GLU  28           HA       GLU  28  14.384  -4.304  -5.460
  205    HB2  GLU  28           2HB      GLU  28  13.674  -1.377  -4.976
  206    HB3  GLU  28           3HB      GLU  28  14.931  -2.284  -4.145
  207    HG2  GLU  28           2HG      GLU  28  14.871  -1.628  -7.120
  208    HG3  GLU  28           3HG      GLU  28  15.880  -0.865  -5.898
  209    H    SER  29           H        SER  29  11.364  -2.517  -4.649
  210    HA   SER  29           HA       SER  29  11.291  -3.564  -1.958
  211    HB2  SER  29           2HB      SER  29   8.805  -2.834  -2.121
  212    HB3  SER  29           3HB      SER  29  10.100  -1.640  -2.100
  213    HG   SER  29           HG       SER  29   9.684  -1.061  -4.047
  214    H    GLN  30           H        GLN  30   9.886  -4.846  -5.032
  215    HA   GLN  30           HA       GLN  30   8.480  -6.860  -3.557
  216    HB2  GLN  30           2HB      GLN  30   7.907  -7.920  -5.576
  217    HB3  GLN  30           3HB      GLN  30   7.760  -6.172  -5.720
  218    HG2  GLN  30           2HG      GLN  30  10.099  -6.370  -6.916
  219    HG3  GLN  30           3HG      GLN  30   9.697  -8.077  -7.046
  220   HE21  GLN  30          1HE2      GLN  30   6.618  -7.256  -7.313
  221   HE22  GLN  30          2HE2      GLN  30   6.569  -6.738  -8.987
  222    H    ARG  31           H        ARG  31  11.798  -6.651  -4.003
  223    HA   ARG  31           HA       ARG  31  12.354  -9.529  -3.715
  224    HB2  ARG  31           2HB      ARG  31  13.821  -7.745  -4.854
  225    HB3  ARG  31           3HB      ARG  31  14.244  -7.190  -3.230
  226    HG2  ARG  31           2HG      ARG  31  15.034  -9.559  -2.726
  227    HG3  ARG  31           3HG      ARG  31  14.741  -9.952  -4.426
  228    HD2  ARG  31           2HD      ARG  31  16.714  -7.921  -3.302
  229    HD3  ARG  31           3HD      ARG  31  17.099  -9.457  -4.064
  230    HE   ARG  31           HE       ARG  31  16.308  -8.602  -6.207
  231   HH11  ARG  31          1HH1      ARG  31  16.941  -6.084  -3.823
  232   HH12  ARG  31          2HH1      ARG  31  17.058  -4.848  -5.063
  233   HH21  ARG  31          1HH2      ARG  31  16.402  -6.911  -7.683
  234   HH22  ARG  31          2HH2      ARG  31  16.657  -5.276  -7.104
  235    H    LEU  32           H        LEU  32  12.103  -6.689  -1.626
  236    HA   LEU  32           HA       LEU  32  12.883  -8.130   0.828
  237    HB2  LEU  32           2HB      LEU  32  12.188  -5.258   0.119
  238    HB3  LEU  32           3HB      LEU  32  12.230  -5.790   1.791
  239    HG   LEU  32           HG       LEU  32  14.573  -6.453   1.612
  240   HD11  LEU  32          1HD1      LEU  32  14.843  -6.990  -0.753
  241   HD12  LEU  32          2HD1      LEU  32  14.444  -5.314  -1.212
  242   HD13  LEU  32          3HD1      LEU  32  15.940  -5.680  -0.326
  243   HD21  LEU  32          3HD2      LEU  32  13.937  -4.173   2.329
  244   HD22  LEU  32          1HD2      LEU  32  15.491  -4.175   1.481
  245   HD23  LEU  32          2HD2      LEU  32  14.024  -3.614   0.644
  246    H    ILE  33           H        ILE  33   9.882  -6.572  -0.418
  247    HA   ILE  33           HA       ILE  33   8.306  -7.434   1.890
  248    HB   ILE  33           HB       ILE  33   7.646  -6.006  -0.699
  249   HG12  ILE  33          2HG1      ILE  33   6.974  -4.174   0.828
  250   HG13  ILE  33          3HG1      ILE  33   7.416  -5.144   2.227
  251   HG21  ILE  33          1HG2      ILE  33   5.647  -7.308  -0.244
  252   HG22  ILE  33          2HG2      ILE  33   5.682  -6.844   1.470
  253   HG23  ILE  33          3HG2      ILE  33   5.344  -5.640   0.207
  254   HD11  ILE  33          3HD1      ILE  33   9.777  -4.939   1.683
  255   HD12  ILE  33          1HD1      ILE  33   9.388  -4.182   0.111
  256   HD13  ILE  33          2HD1      ILE  33   9.040  -3.341   1.625
  257    H    GLY  34           H        GLY  34   9.369  -9.040  -0.939
  258    HA2  GLY  34           2HA      GLY  34   7.088 -10.889  -1.117
  259    HA3  GLY  34           3HA      GLY  34   8.502 -10.821  -2.145
  260    H    GLN  35           H        GLN  35   9.742 -10.862   0.926
  261    HA   GLN  35           HA       GLN  35  10.379 -13.733   0.813
  262    HB2  GLN  35           2HB      GLN  35  12.033 -11.941   1.341
  263    HB3  GLN  35           3HB      GLN  35  11.151 -11.579   2.833
  264    HG2  GLN  35           2HG      GLN  35  11.640 -13.832   3.692
  265    HG3  GLN  35           3HG      GLN  35  12.379 -14.290   2.154
  266   HE21  GLN  35          2HE2      GLN  35  14.093 -14.841   3.976
  267   HE22  GLN  35          1HE2      GLN  35  15.270 -13.564   4.257
  268    H    GLN  36           H        GLN  36   7.843 -11.859   2.040
  269    HA   GLN  36           HA       GLN  36   7.316 -13.371   4.438
  270    HB2  GLN  36           2HB      GLN  36   5.842 -11.097   3.088
  271    HB3  GLN  36           3HB      GLN  36   5.230 -11.935   4.511
  272    HG2  GLN  36           2HG      GLN  36   6.269 -10.293   5.635
  273    HG3  GLN  36           3HG      GLN  36   7.685 -11.327   5.461
  274   HE21  GLN  36          2HE2      GLN  36   9.387 -10.634   4.055
  275   HE22  GLN  36          1HE2      GLN  36   9.389  -9.049   3.299
  276    H    GLY  37           H        GLY  37   5.440 -14.633   4.858
  277    HA2  GLY  37           2HA      GLY  37   4.072 -15.849   2.476
  278    HA3  GLY  37           3HA      GLY  37   4.782 -16.803   3.773
  279    H    LEU  38           H        LEU  38   3.091 -13.872   4.621
  280    HA   LEU  38           HA       LEU  38   1.029 -15.344   6.135
  281    HB2  LEU  38           2HB      LEU  38   1.758 -12.396   5.867
  282    HB3  LEU  38           3HB      LEU  38   0.466 -12.986   6.887
  283    HG   LEU  38           HG       LEU  38   2.234 -12.480   8.293
  284   HD11  LEU  38          1HD1      LEU  38   0.991 -14.561   8.831
  285   HD12  LEU  38          2HD1      LEU  38   2.268 -15.510   8.032
  286   HD13  LEU  38          3HD1      LEU  38   2.643 -14.547   9.474
  287   HD21  LEU  38          3HD2      LEU  38   4.117 -12.603   6.659
  288   HD22  LEU  38          1HD2      LEU  38   4.459 -13.313   8.242
  289   HD23  LEU  38          2HD2      LEU  38   4.124 -14.378   6.872
  290    H    VAL  39           H        VAL  39  -1.186 -13.841   6.094
  291    HA   VAL  39           HA       VAL  39  -2.610 -14.435   3.672
  292    HB   VAL  39           HB       VAL  39  -4.384 -13.009   4.473
  293   HG11  VAL  39          1HG1      VAL  39  -4.186 -15.330   5.292
  294   HG12  VAL  39          2HG1      VAL  39  -3.264 -14.756   6.699
  295   HG13  VAL  39          3HG1      VAL  39  -4.954 -14.258   6.476
  296   HG21  VAL  39          3HG2      VAL  39  -4.312 -11.873   6.624
  297   HG22  VAL  39          1HG2      VAL  39  -2.606 -12.300   6.842
  298   HG23  VAL  39          2HG2      VAL  39  -3.097 -11.185   5.543
  299    H    ASP  40           H        ASP  40  -3.381 -13.346   2.009
  300    HA   ASP  40           HA       ASP  40  -1.732 -12.007   0.502
  301    HB2  ASP  40           2HB      ASP  40  -4.745 -11.651   0.620
  302    HB3  ASP  40           3HB      ASP  40  -3.757 -11.079  -0.713
  303    H    GLY  41           H        GLY  41  -3.219 -10.608   3.043
  304    HA2  GLY  41           2HA      GLY  41  -3.356  -7.698   2.230
  305    HA3  GLY  41           3HA      GLY  41  -4.116  -8.465   3.469
  306    H    LEU  42           H        LEU  42  -0.652  -9.271   3.328
  307    HA   LEU  42           HA       LEU  42  -0.173  -7.322   5.538
  308    HB2  LEU  42           2HB      LEU  42   1.187  -9.840   4.598
  309    HB3  LEU  42           3HB      LEU  42   2.206  -8.624   5.340
  310    HG   LEU  42           HG       LEU  42   1.526 -10.348   6.896
  311   HD11  LEU  42          1HD1      LEU  42   0.501  -7.579   7.593
  312   HD12  LEU  42          2HD1      LEU  42   0.835  -8.887   8.746
  313   HD13  LEU  42          3HD1      LEU  42   2.146  -8.203   7.777
  314   HD21  LEU  42          3HD2      LEU  42  -0.750 -10.483   7.774
  315   HD22  LEU  42          1HD2      LEU  42  -1.308  -9.291   6.579
  316   HD23  LEU  42          2HD2      LEU  42  -0.695 -10.864   6.043
  317    H    PHE  43           H        PHE  43  -0.520  -5.529   4.160
  318    HA   PHE  43           HA       PHE  43   1.531  -5.131   2.094
  319    HB2  PHE  43           2HB      PHE  43  -0.026  -3.872   1.017
  320    HB3  PHE  43           3HB      PHE  43  -0.929  -4.981   1.777
  321    HD1  PHE  43           HD1      PHE  43   0.265  -1.503   2.888
  322    HD2  PHE  43           HD2      PHE  43  -3.008  -4.251   2.337
  323    HE1  PHE  43           HE1      PHE  43  -1.278   0.152   3.840
  324    HE2  PHE  43           HE2      PHE  43  -4.573  -2.520   3.187
  325    HZ   PHE  43           HZ       PHE  43  -3.704  -0.335   3.978
  326    H    LEU  44           H        LEU  44   2.340  -3.004   1.651
  327    HA   LEU  44           HA       LEU  44   3.109  -1.293   3.982
  328    HB2  LEU  44           2HB      LEU  44   5.007  -2.760   3.353
  329    HB3  LEU  44           3HB      LEU  44   4.875  -2.255   1.688
  330    HG   LEU  44           HG       LEU  44   5.619   0.102   2.384
  331   HD11  LEU  44          1HD1      LEU  44   4.905   0.014   4.760
  332   HD12  LEU  44          2HD1      LEU  44   6.064  -1.301   5.061
  333   HD13  LEU  44          3HD1      LEU  44   6.645   0.315   4.605
  334   HD21  LEU  44          3HD2      LEU  44   7.191  -1.549   1.507
  335   HD22  LEU  44          1HD2      LEU  44   7.937  -0.552   2.766
  336   HD23  LEU  44          2HD2      LEU  44   7.424  -2.217   3.139
  337    H    VAL  45           H        VAL  45   3.263   0.967   3.463
  338    HA   VAL  45           HA       VAL  45   2.173   1.758   0.787
  339    HB   VAL  45           HB       VAL  45   2.079   3.433   3.312
  340   HG11  VAL  45          1HG1      VAL  45   0.501   4.790   1.950
  341   HG12  VAL  45          2HG1      VAL  45   2.093   4.726   1.187
  342   HG13  VAL  45          3HG1      VAL  45   0.768   3.722   0.558
  343   HG21  VAL  45          3HG2      VAL  45  -0.367   2.967   3.247
  344   HG22  VAL  45          1HG2      VAL  45  -0.093   1.760   1.972
  345   HG23  VAL  45          2HG2      VAL  45   0.583   1.526   3.602
  346    H    ARG  46           H        ARG  46   3.723   2.291  -0.517
  347    HA   ARG  46           HA       ARG  46   6.035   4.013   0.249
  348    HB2  ARG  46           2HB      ARG  46   7.467   2.276   0.465
  349    HB3  ARG  46           3HB      ARG  46   6.229   1.107   0.138
  350    HG2  ARG  46           2HG      ARG  46   8.100   2.330  -1.930
  351    HG3  ARG  46           3HG      ARG  46   8.129   0.706  -1.242
  352    HD2  ARG  46           2HD      ARG  46   5.880   0.258  -2.191
  353    HD3  ARG  46           3HD      ARG  46   5.960   1.800  -3.033
  354    HE   ARG  46           HE       ARG  46   7.161  -0.655  -3.801
  355   HH11  ARG  46          1HH1      ARG  46   8.477   2.439  -4.483
  356   HH12  ARG  46          2HH1      ARG  46   8.100   2.270  -6.202
  357   HH21  ARG  46          1HH2      ARG  46   6.207  -0.524  -5.848
  358   HH22  ARG  46          2HH2      ARG  46   6.795   0.772  -6.903
  359    H    GLU  47           H        GLU  47   7.253   4.635  -1.627
  360    HA   GLU  47           HA       GLU  47   5.833   4.269  -4.165
  361    HB2  GLU  47           2HB      GLU  47   5.332   6.557  -4.651
  362    HB3  GLU  47           3HB      GLU  47   4.607   6.138  -3.117
  363    HG2  GLU  47           2HG      GLU  47   6.798   7.256  -2.100
  364    HG3  GLU  47           3HG      GLU  47   6.873   8.029  -3.699
  365    HE2  GLU  47           2HE      GLU  47   6.320   9.987  -3.200
  366    H    SER  48           H        SER  48   7.121   6.285  -5.563
  367    HA   SER  48           HA       SER  48   9.927   5.388  -5.523
  368    HB2  SER  48           2HB      SER  48   7.964   4.468  -7.321
  369    HB3  SER  48           3HB      SER  48   8.795   5.728  -8.217
  370    HG   SER  48           HG       SER  48   9.529   3.331  -7.887
  371    H    GLN  49           H        GLN  49  11.205   7.049  -5.936
  372    HA   GLN  49           HA       GLN  49  10.115   9.676  -6.615
  373    HB2  GLN  49           2HB      GLN  49  12.195  10.485  -5.804
  374    HB3  GLN  49           3HB      GLN  49  11.678   9.174  -4.725
  375    HG2  GLN  49           2HG      GLN  49  14.029   9.018  -5.056
  376    HG3  GLN  49           3HG      GLN  49  13.248   7.627  -5.800
  377   HE21  GLN  49          1HE2      GLN  49  13.854   7.130  -7.923
  378   HE22  GLN  49          2HE2      GLN  49  14.779   8.232  -8.927
  379    H    ARG  50           H        ARG  50  10.387   7.215  -8.375
  380    HA   ARG  50           HA       ARG  50  11.450   8.220 -10.941
  381    HB2  ARG  50           2HB      ARG  50  12.133   5.999 -10.256
  382    HB3  ARG  50           3HB      ARG  50  10.466   5.491  -9.990
  383    HG2  ARG  50           2HG      ARG  50   9.977   5.598 -12.386
  384    HG3  ARG  50           3HG      ARG  50  11.550   6.345 -12.699
  385    HD2  ARG  50           2HD      ARG  50  11.683   4.038 -13.325
  386    HD3  ARG  50           3HD      ARG  50  12.681   4.298 -11.889
  387    HE   ARG  50           HE       ARG  50   9.968   3.331 -11.272
  388   HH11  ARG  50          1HH1      ARG  50  13.224   2.236 -12.109
  389   HH12  ARG  50          2HH1      ARG  50  12.881   0.619 -11.488
  390   HH21  ARG  50          1HH2      ARG  50   9.715   1.187 -10.517
  391   HH22  ARG  50          2HH2      ARG  50  11.141   0.162 -10.503
  392    H    ASN  51           H        ASN  51   8.311   6.300 -10.316
  393    HA   ASN  51           HA       ASN  51   6.969   7.572 -12.351
  394    HB2  ASN  51           2HB      ASN  51   6.200   6.070  -9.941
  395    HB3  ASN  51           3HB      ASN  51   4.916   7.061 -10.651
  396   HD21  ASN  51          2HD2      ASN  51   6.868   4.246 -11.099
  397   HD22  ASN  51          1HD2      ASN  51   6.252   3.834 -12.707
  398    HA   PRO  52           HA       PRO  52   6.179  11.699 -10.701
  399    HB2  PRO  52           2HB      PRO  52   4.687  12.788 -12.685
  400    HB3  PRO  52           3HB      PRO  52   6.380  12.269 -12.939
  401    HG2  PRO  52           2HG      PRO  52   3.848  10.715 -13.590
  402    HG3  PRO  52           3HG      PRO  52   5.249  11.042 -14.659
  403    HD2  PRO  52           2HD      PRO  52   4.995   8.713 -13.235
  404    HD3  PRO  52           3HD      PRO  52   6.585   9.470 -13.552
  405    H    GLN  53           H        GLN  53   3.529   9.506 -11.120
  406    HA   GLN  53           HA       GLN  53   1.593  11.175  -9.512
  407    HB2  GLN  53           2HB      GLN  53   1.065   9.132 -11.682
  408    HB3  GLN  53           3HB      GLN  53  -0.161   9.933 -10.690
  409    HG2  GLN  53           2HG      GLN  53   0.571  12.146 -11.546
  410    HG3  GLN  53           3HG      GLN  53   1.743  11.352 -12.600
  411   HE21  GLN  53          2HE2      GLN  53   0.791   9.710 -14.229
  412   HE22  GLN  53          1HE2      GLN  53  -0.791  10.115 -14.875
  413    H    GLY  54           H        GLY  54   3.812   9.320  -8.514
  414    HA2  GLY  54           2HA      GLY  54   2.319   6.927  -7.736
  415    HA3  GLY  54           3HA      GLY  54   4.005   7.168  -7.574
  416    H    PHE  55           H        PHE  55   1.564   6.526  -6.165
  417    HA   PHE  55           HA       PHE  55   2.472   6.830  -3.371
  418    HB2  PHE  55           2HB      PHE  55  -0.439   7.337  -4.166
  419    HB3  PHE  55           3HB      PHE  55   0.271   7.453  -2.566
  420    HD1  PHE  55           HD2      PHE  55   1.641   9.458  -1.954
  421    HD2  PHE  55           HD1      PHE  55  -0.190   9.083  -5.843
  422    HE1  PHE  55           HE2      PHE  55   2.060  11.868  -2.389
  423    HE2  PHE  55           HE1      PHE  55   0.264  11.482  -6.292
  424    HZ   PHE  55           HZ       PHE  55   1.378  12.883  -4.558
  425    H    VAL  56           H        VAL  56   3.024   4.468  -3.417
  426    HA   VAL  56           HA       VAL  56   0.989   2.762  -4.729
  427    HB   VAL  56           HB       VAL  56   2.430   1.486  -5.751
  428   HG11  VAL  56          1HG1      VAL  56   4.936   2.668  -4.735
  429   HG12  VAL  56          2HG1      VAL  56   4.453   2.394  -6.359
  430   HG13  VAL  56          3HG1      VAL  56   3.876   3.838  -5.573
  431   HG21  VAL  56          3HG2      VAL  56   3.900   1.189  -3.139
  432   HG22  VAL  56          1HG2      VAL  56   2.802   0.028  -3.927
  433   HG23  VAL  56          2HG2      VAL  56   4.366   0.400  -4.647
  434    H    LEU  57           H        LEU  57  -0.072   1.213  -3.877
  435    HA   LEU  57           HA       LEU  57   0.286   0.542  -0.993
  436    HB2  LEU  57           2HB      LEU  57  -2.009   1.199  -1.993
  437    HB3  LEU  57           3HB      LEU  57  -1.957  -0.346  -2.849
  438    HG   LEU  57           HG       LEU  57  -1.955   0.045   0.165
  439   HD11  LEU  57          1HD1      LEU  57  -4.125   0.413  -0.984
  440   HD12  LEU  57          2HD1      LEU  57  -3.993  -1.191  -1.741
  441   HD13  LEU  57          3HD1      LEU  57  -4.151  -1.042   0.024
  442   HD21  LEU  57          3HD2      LEU  57  -0.653  -1.918  -0.171
  443   HD22  LEU  57          1HD2      LEU  57  -2.295  -2.494   0.122
  444   HD23  LEU  57          2HD2      LEU  57  -1.679  -2.467  -1.536
  445    H    SER  58           H        SER  58   1.416  -1.451  -0.646
  446    HA   SER  58           HA       SER  58   2.085  -3.072  -3.076
  447    HB2  SER  58           2HB      SER  58   4.390  -3.353  -2.161
  448    HB3  SER  58           3HB      SER  58   4.011  -1.741  -2.778
  449    HG   SER  58           HG       SER  58   3.365  -1.491  -0.342
  450    H    LEU  59           H        LEU  59   1.466  -5.123  -2.752
  451    HA   LEU  59           HA       LEU  59   0.361  -5.807  -0.079
  452    HB2  LEU  59           2HB      LEU  59   0.225  -7.099  -2.838
  453    HB3  LEU  59           3HB      LEU  59  -0.702  -7.641  -1.449
  454    HG   LEU  59           HG       LEU  59  -1.064  -4.924  -2.769
  455   HD11  LEU  59          1HD1      LEU  59  -3.225  -6.129  -3.478
  456   HD12  LEU  59          2HD1      LEU  59  -1.729  -6.633  -4.289
  457   HD13  LEU  59          3HD1      LEU  59  -2.403  -7.639  -3.018
  458   HD21  LEU  59          3HD2      LEU  59  -3.178  -4.943  -1.423
  459   HD22  LEU  59          1HD2      LEU  59  -2.586  -6.388  -0.562
  460   HD23  LEU  59          2HD2      LEU  59  -1.727  -4.842  -0.431
  461    H    CYS  60           H        CYS  60   0.230  -8.242   0.276
  462    HA   CYS  60           HA       CYS  60   2.853  -9.586  -0.202
  463    HB2  CYS  60           2HB      CYS  60   3.175  -8.770   2.029
  464    HB3  CYS  60           3HB      CYS  60   1.562  -9.357   2.510
  465    HG   CYS  60           HG       CYS  60   2.020 -11.851   1.992
  466    H    HIS  61           H        HIS  61   1.342 -10.269  -1.970
  467    HA   HIS  61           HA       HIS  61  -1.066 -11.593  -1.176
  468    HB2  HIS  61           2HB      HIS  61  -1.496 -10.465  -2.989
  469    HB3  HIS  61           3HB      HIS  61   0.138 -10.566  -3.520
  470    HD2  HIS  61           HD2      HIS  61  -3.254 -12.067  -4.141
  471    HE1  HIS  61           HE1      HIS  61  -0.625 -14.198  -6.704
  472    HE2  HIS  61           HE2      HIS  61  -3.053 -13.765  -6.134
  473    H    LEU  62           H        LEU  62  -1.189 -13.696  -2.839
  474    HA   LEU  62           HA       LEU  62   0.725 -15.665  -1.565
  475    HB2  LEU  62           2HB      LEU  62  -0.961 -17.071  -0.934
  476    HB3  LEU  62           3HB      LEU  62  -1.944 -15.623  -0.994
  477    HG   LEU  62           HG       LEU  62  -1.751 -17.861  -3.051
  478   HD11  LEU  62          1HD1      LEU  62  -3.197 -18.230  -1.093
  479   HD12  LEU  62          2HD1      LEU  62  -4.090 -16.743  -1.469
  480   HD13  LEU  62          3HD1      LEU  62  -4.132 -18.128  -2.590
  481   HD21  LEU  62          3HD2      LEU  62  -1.910 -15.767  -4.340
  482   HD22  LEU  62          1HD2      LEU  62  -3.399 -16.702  -4.438
  483   HD23  LEU  62          2HD2      LEU  62  -3.313 -15.274  -3.376
  484    H    GLN  63           H        GLN  63   0.905 -14.429  -4.168
  485    HA   GLN  63           HA       GLN  63   2.603 -16.629  -4.464
  486    HB2  GLN  63           2HB      GLN  63   0.952 -15.759  -6.947
  487    HB3  GLN  63           3HB      GLN  63   2.253 -16.936  -7.030
  488    HG2  GLN  63           2HG      GLN  63   0.934 -18.516  -5.663
  489    HG3  GLN  63           3HG      GLN  63  -0.403 -17.353  -5.613
  490   HE21  GLN  63          2HE2      GLN  63  -1.044 -19.796  -6.596
  491   HE22  GLN  63          1HE2      GLN  63  -1.217 -19.710  -8.344
  492    H    LYS  64           H        LYS  64   1.942 -13.366  -5.129
  493    HA   LYS  64           HA       LYS  64   4.807 -12.942  -5.367
  494    HB2  LYS  64           2HB      LYS  64   4.636 -11.543  -7.420
  495    HB3  LYS  64           3HB      LYS  64   4.049 -13.158  -7.732
  496    HG2  LYS  64           2HG      LYS  64   1.711 -11.762  -6.901
  497    HG3  LYS  64           3HG      LYS  64   2.639 -10.547  -7.760
  498    HD2  LYS  64           2HD      LYS  64   1.185 -11.595  -9.372
  499    HD3  LYS  64           3HD      LYS  64   2.852 -12.061  -9.740
  500    HE2  LYS  64           2HE      LYS  64   2.469 -14.251  -8.558
  501    HE3  LYS  64           3HE      LYS  64   0.789 -13.772  -8.280
  502    HZ1  LYS  64           3HZ      LYS  64   0.495 -13.694 -10.722
  503    HZ2  LYS  64           1HZ      LYS  64   2.050 -14.145 -10.957
  504    HZ3  LYS  64           2HZ      LYS  64   0.998 -15.176 -10.258
  505    H    VAL  65           H        VAL  65   5.112 -10.336  -5.569
  506    HA   VAL  65           HA       VAL  65   2.986  -8.988  -3.951
  507    HB   VAL  65           HB       VAL  65   4.523  -7.752  -2.687
  508   HG11  VAL  65          1HG1      VAL  65   3.725 -10.105  -2.027
  509   HG12  VAL  65          2HG1      VAL  65   5.322 -10.685  -2.493
  510   HG13  VAL  65          3HG1      VAL  65   5.156  -9.506  -1.171
  511   HG21  VAL  65          3HG2      VAL  65   6.892  -8.300  -2.484
  512   HG22  VAL  65          1HG2      VAL  65   6.780  -9.271  -3.973
  513   HG23  VAL  65          2HG2      VAL  65   6.429  -7.512  -3.992
  514    H    LYS  66           H        LYS  66   2.024  -7.569  -4.941
  515    HA   LYS  66           HA       LYS  66   3.169  -6.137  -7.297
  516    HB2  LYS  66           2HB      LYS  66   0.924  -6.189  -8.245
  517    HB3  LYS  66           3HB      LYS  66   1.513  -7.805  -7.876
  518    HG2  LYS  66           2HG      LYS  66   0.153  -7.673  -5.678
  519    HG3  LYS  66           3HG      LYS  66  -0.532  -6.181  -6.313
  520    HD2  LYS  66           2HD      LYS  66  -2.103  -7.892  -6.783
  521    HD3  LYS  66           3HD      LYS  66  -1.326  -7.536  -8.334
  522    HE2  LYS  66           2HE      LYS  66   0.164  -9.518  -8.036
  523    HE3  LYS  66           3HE      LYS  66  -0.582  -9.850  -6.462
  524    HZ1  LYS  66           3HZ      LYS  66  -2.011  -9.914  -9.088
  525    HZ2  LYS  66           1HZ      LYS  66  -1.577 -11.227  -8.213
  526    HZ3  LYS  66           2HZ      LYS  66  -2.712 -10.212  -7.629
  527    H    HIS  67           H        HIS  67   2.196  -4.034  -7.788
  528    HA   HIS  67           HA       HIS  67   1.778  -2.430  -5.290
  529    HB2  HIS  67           2HB      HIS  67   3.392  -1.797  -7.751
  530    HB3  HIS  67           3HB      HIS  67   3.272  -0.798  -6.300
  531    HD2  HIS  67           HD2      HIS  67   4.892  -4.017  -7.675
  532    HE1  HIS  67           HE1      HIS  67   6.996  -3.016  -4.117
  533    HE2  HIS  67           HE2      HIS  67   6.994  -4.499  -6.176
  534    H    TYR  68           H        TYR  68   0.671  -0.370  -5.495
  535    HA   TYR  68           HA       TYR  68  -1.226  -0.086  -7.841
  536    HB2  TYR  68           2HB      TYR  68  -1.569   0.246  -4.850
  537    HB3  TYR  68           3HB      TYR  68  -2.744   0.838  -5.963
  538    HD1  TYR  68           HD2      TYR  68  -1.030  -2.469  -5.225
  539    HD2  TYR  68           HD1      TYR  68  -4.679  -0.349  -6.122
  540    HE1  TYR  68           HE2      TYR  68  -2.312  -4.537  -4.914
  541    HE2  TYR  68           HE1      TYR  68  -5.974  -2.414  -5.699
  542    HH   TYR  68           HH       TYR  68  -5.877  -4.647  -5.171
  543    H    LEU  69           H        LEU  69   0.251   1.713  -8.815
  544    HA   LEU  69           HA       LEU  69  -0.127   4.312  -7.296
  545    HB2  LEU  69           2HB      LEU  69   2.089   4.692  -7.122
  546    HB3  LEU  69           3HB      LEU  69   2.044   2.953  -7.105
  547    HG   LEU  69           HG       LEU  69   3.607   2.877  -8.431
  548   HD11  LEU  69          1HD1      LEU  69   2.354   4.264 -10.794
  549   HD12  LEU  69          2HD1      LEU  69   3.622   3.080 -10.766
  550   HD13  LEU  69          3HD1      LEU  69   1.988   2.576 -10.334
  551   HD21  LEU  69          3HD2      LEU  69   4.338   5.017  -7.730
  552   HD22  LEU  69          1HD2      LEU  69   4.925   4.466  -9.284
  553   HD23  LEU  69          2HD2      LEU  69   3.627   5.695  -9.246
  554    H    ILE  70           H        ILE  70  -1.478   3.745  -9.990
  555    HA   ILE  70           HA       ILE  70   0.163   5.539 -11.717
  556    HB   ILE  70           HB       ILE  70  -2.182   3.733 -12.334
  557   HG12  ILE  70          2HG1      ILE  70   0.808   3.366 -12.878
  558   HG13  ILE  70          3HG1      ILE  70  -0.021   2.620 -11.515
  559   HG21  ILE  70          1HG2      ILE  70  -0.317   5.230 -14.226
  560   HG22  ILE  70          2HG2      ILE  70  -1.455   3.969 -14.727
  561   HG23  ILE  70          3HG2      ILE  70  -2.073   5.459 -14.062
  562   HD11  ILE  70          3HD1      ILE  70   0.321   1.045 -13.264
  563   HD12  ILE  70          1HD1      ILE  70  -1.379   1.248 -12.896
  564   HD13  ILE  70          2HD1      ILE  70  -0.690   1.981 -14.372
  565    H    LEU  71           H        LEU  71  -2.660   6.035  -9.757
  566    HA   LEU  71           HA       LEU  71  -3.245   8.445 -11.405
  567    HB2  LEU  71           2HB      LEU  71  -5.307   6.751  -9.959
  568    HB3  LEU  71           3HB      LEU  71  -5.639   8.022 -11.125
  569    HG   LEU  71           HG       LEU  71  -4.302   5.349 -11.823
  570   HD11  LEU  71          1HD1      LEU  71  -6.469   4.847 -11.010
  571   HD12  LEU  71          2HD1      LEU  71  -7.212   6.137 -12.005
  572   HD13  LEU  71          3HD1      LEU  71  -6.485   4.704 -12.766
  573   HD21  LEU  71          3HD2      LEU  71  -5.682   7.331 -13.665
  574   HD22  LEU  71          1HD2      LEU  71  -3.922   7.184 -13.495
  575   HD23  LEU  71          2HD2      LEU  71  -4.861   5.811 -14.112
  576    HA   PRO  72           HA       PRO  72  -3.103  10.752  -7.584
  577    HB2  PRO  72           2HB      PRO  72  -3.787  13.198  -8.486
  578    HB3  PRO  72           3HB      PRO  72  -2.346  12.364  -9.136
  579    HG2  PRO  72           2HG      PRO  72  -5.142  12.430 -10.338
  580    HG3  PRO  72           3HG      PRO  72  -3.590  12.854 -11.136
  581    HD2  PRO  72           2HD      PRO  72  -4.726  10.356 -11.317
  582    HD3  PRO  72           3HD      PRO  72  -2.955  10.611 -11.308
  583    H    SER  73           H        SER  73  -4.770  12.648  -6.597
  584    HA   SER  73           HA       SER  73  -7.217  11.252  -5.970
  585    HB2  SER  73           2HB      SER  73  -6.391  14.099  -5.322
  586    HB3  SER  73           3HB      SER  73  -7.772  13.232  -4.616
  587    HG   SER  73           HG       SER  73  -5.804  13.170  -3.344
  588    H    GLU  74           H        GLU  74  -9.417  11.818  -6.439
  589    HA   GLU  74           HA       GLU  74  -9.841  13.827  -8.633
  590    HB2  GLU  74           2HB      GLU  74 -11.028  11.016  -8.533
  591    HB3  GLU  74           3HB      GLU  74 -11.431  12.258  -9.705
  592    HG2  GLU  74           2HG      GLU  74  -8.999  12.323 -10.426
  593    HG3  GLU  74           3HG      GLU  74  -8.712  10.922  -9.398
  594    HE2  GLU  74           2HE      GLU  74  -9.280   9.280 -12.399
  595    H    GLU  75           H        GLU  75 -12.360  14.029  -8.986
  596    HA   GLU  75           HA       GLU  75 -13.641  14.601  -6.355
  597    HB2  GLU  75           2HB      GLU  75 -14.342  15.449  -9.190
  598    HB3  GLU  75           3HB      GLU  75 -15.237  15.905  -7.735
  599    HG2  GLU  75           2HG      GLU  75 -13.182  16.982  -6.818
  600    HG3  GLU  75           3HG      GLU  75 -12.330  16.613  -8.319
  601    H    GLU  76           H        GLU  76 -13.606  12.094  -8.596
  602    HA   GLU  76           HA       GLU  76 -16.351  11.149  -7.965
  603    HB2  GLU  76           2HB      GLU  76 -15.223  11.234 -10.356
  604    HB3  GLU  76           3HB      GLU  76 -14.440   9.736  -9.832
  605    HG2  GLU  76           2HG      GLU  76 -16.772   8.866  -9.269
  606    HG3  GLU  76           3HG      GLU  76 -17.423  10.340  -9.979
  607    H    GLY  77           H        GLY  77 -13.886  11.232  -6.166
  608    HA2  GLY  77           2HA      GLY  77 -14.151   8.997  -4.513
  609    HA3  GLY  77           3HA      GLY  77 -12.862   8.607  -5.663
  610    H    ARG  78           H        ARG  78 -11.387   8.656  -3.855
  611    HA   ARG  78           HA       ARG  78 -10.456  11.444  -3.122
  612    HB2  ARG  78           2HB      ARG  78 -10.131   8.950  -1.425
  613    HB3  ARG  78           3HB      ARG  78  -9.577  10.579  -1.036
  614    HG2  ARG  78           2HG      ARG  78 -12.515   9.796  -1.276
  615    HG3  ARG  78           3HG      ARG  78 -11.593   9.743   0.215
  616    HD2  ARG  78           2HD      ARG  78 -12.846  11.794   0.201
  617    HD3  ARG  78           3HD      ARG  78 -11.119  12.169   0.054
  618    HE   ARG  78           HE       ARG  78 -12.549  11.926  -2.499
  619   HH11  ARG  78          1HH1      ARG  78 -11.829  14.301  -0.036
  620   HH12  ARG  78          2HH1      ARG  78 -11.769  15.606  -1.191
  621   HH21  ARG  78          1HH2      ARG  78 -12.297  13.529  -3.919
  622   HH22  ARG  78          2HH2      ARG  78 -12.084  15.175  -3.373
  623    H    LEU  79           H        LEU  79  -8.106   9.363  -2.127
  624    HA   LEU  79           HA       LEU  79  -6.368   9.847  -4.377
  625    HB2  LEU  79           2HB      LEU  79  -6.285   7.858  -2.072
  626    HB3  LEU  79           3HB      LEU  79  -5.089   7.869  -3.362
  627    HG   LEU  79           HG       LEU  79  -4.444  10.190  -2.805
  628   HD11  LEU  79          1HD1      LEU  79  -6.333   9.839  -0.431
  629   HD12  LEU  79          2HD1      LEU  79  -5.091  11.102  -0.566
  630   HD13  LEU  79          3HD1      LEU  79  -6.435  11.079  -1.703
  631   HD21  LEU  79          3HD2      LEU  79  -4.336   8.224  -0.476
  632   HD22  LEU  79          1HD2      LEU  79  -3.242   8.245  -1.878
  633   HD23  LEU  79          2HD2      LEU  79  -3.241   9.598  -0.742
  634    H    TYR  80           H        TYR  80  -6.747   8.945  -6.452
  635    HA   TYR  80           HA       TYR  80  -8.730   6.898  -6.633
  636    HB2  TYR  80           2HB      TYR  80  -8.320   8.879  -8.183
  637    HB3  TYR  80           3HB      TYR  80  -7.174   7.831  -9.003
  638    HD1  TYR  80           HD1      TYR  80  -8.140   5.455  -9.746
  639    HD2  TYR  80           HD2      TYR  80 -10.587   8.825  -8.656
  640    HE1  TYR  80           HE1      TYR  80 -10.027   4.491 -11.038
  641    HE2  TYR  80           HE2      TYR  80 -12.454   7.912 -10.017
  642    HH   TYR  80           HH       TYR  80 -12.177   4.809 -11.772
  643    H    PHE  81           H        PHE  81  -8.668   4.800  -7.004
  644    HA   PHE  81           HA       PHE  81  -6.370   3.508  -8.031
  645    HB2  PHE  81           2HB      PHE  81  -7.358   2.347  -5.463
  646    HB3  PHE  81           3HB      PHE  81  -6.003   1.816  -6.422
  647    HD1  PHE  81           HD1      PHE  81  -3.821   3.026  -6.279
  648    HD2  PHE  81           HD2      PHE  81  -7.199   4.211  -3.876
  649    HE1  PHE  81           HE1      PHE  81  -2.307   4.243  -4.730
  650    HE2  PHE  81           HE2      PHE  81  -5.685   5.416  -2.335
  651    HZ   PHE  81           HZ       PHE  81  -3.232   5.444  -2.765
  652    H    SER  82           H        SER  82  -6.422   1.494  -8.679
  653    HA   SER  82           HA       SER  82  -8.940   0.027  -8.755
  654    HB2  SER  82           2HB      SER  82  -8.989  -0.231 -11.161
  655    HB3  SER  82           3HB      SER  82  -9.152   1.467 -10.696
  656    HG   SER  82           HG       SER  82  -7.717   1.242 -12.400
  657    H    MET  83           H        MET  83  -6.881  -1.492 -10.730
  658    HA   MET  83           HA       MET  83  -5.898  -3.375 -10.002
  659    HB2  MET  83           2HB      MET  83  -8.743  -4.195  -9.293
  660    HB3  MET  83           3HB      MET  83  -7.359  -5.270  -9.342
  661    HG2  MET  83           2HG      MET  83  -6.281  -3.803  -7.610
  662    HG3  MET  83           3HG      MET  83  -7.862  -3.055  -7.362
  663    HE1  MET  83           3HE      MET  83  -9.975  -4.396  -6.319
  664    HE2  MET  83           1HE      MET  83  -9.874  -5.625  -7.611
  665    HE3  MET  83           2HE      MET  83  -9.929  -6.121  -5.909
  666    H    ASP  84           H        ASP  84  -6.557  -5.610 -11.218
  667    HA   ASP  84           HA       ASP  84  -7.050  -4.860 -13.977
  668    HB2  ASP  84           2HB      ASP  84  -5.641  -6.794 -13.307
  669    HB3  ASP  84           3HB      ASP  84  -7.088  -7.632 -12.736
  670    H    ASP  85           H        ASP  85  -9.133  -6.058 -11.312
  671    HA   ASP  85           HA       ASP  85 -11.499  -5.251 -12.914
  672    HB2  ASP  85           2HB      ASP  85 -11.154  -7.719 -13.139
  673    HB3  ASP  85           3HB      ASP  85 -11.316  -7.877 -11.392
  674    H    GLY  86           H        GLY  86 -10.425  -3.548 -11.079
  675    HA2  GLY  86           2HA      GLY  86 -12.362  -3.588  -8.809
  676    HA3  GLY  86           3HA      GLY  86 -10.657  -3.496  -8.430
  677    H    GLN  87           H        GLN  87 -12.176  -1.695  -7.394
  678    HA   GLN  87           HA       GLN  87 -11.614   0.907  -8.748
  679    HB2  GLN  87           2HB      GLN  87 -13.919   1.639  -8.188
  680    HB3  GLN  87           3HB      GLN  87 -13.893   0.332  -9.362
  681    HG2  GLN  87           2HG      GLN  87 -14.993  -1.126  -7.991
  682    HG3  GLN  87           3HG      GLN  87 -14.079  -0.661  -6.557
  683   HE21  GLN  87          2HE2      GLN  87 -14.588   1.638  -5.728
  684   HE22  GLN  87          1HE2      GLN  87 -16.310   2.055  -5.687
  685    H    THR  88           H        THR  88  -9.872   0.260  -6.827
  686    HA   THR  88           HA       THR  88 -10.939   0.927  -4.260
  687    HB   THR  88           HB       THR  88  -8.594   0.289  -3.409
  688    HG1  THR  88           1HG      THR  88  -7.324  -0.671  -4.957
  689   HG21  THR  88          1HG2      THR  88 -10.187  -1.684  -5.139
  690   HG22  THR  88          2HG2      THR  88  -9.000  -2.116  -3.882
  691   HG23  THR  88          3HG2      THR  88 -10.513  -1.295  -3.445
  692    H    ARG  89           H        ARG  89  -9.967   2.970  -6.222
  693    HA   ARG  89           HA       ARG  89  -9.132   5.231  -5.330
  694    HB2  ARG  89           2HB      ARG  89 -10.857   6.429  -6.631
  695    HB3  ARG  89           3HB      ARG  89 -10.520   4.886  -7.401
  696    HG2  ARG  89           2HG      ARG  89 -12.595   3.933  -6.336
  697    HG3  ARG  89           3HG      ARG  89 -12.936   5.523  -5.636
  698    HD2  ARG  89           2HD      ARG  89 -12.880   6.485  -7.943
  699    HD3  ARG  89           3HD      ARG  89 -12.715   4.832  -8.591
  700    HE   ARG  89           HE       ARG  89 -15.016   4.993  -6.890
  701   HH11  ARG  89          1HH2      ARG  89 -14.001   6.028 -10.106
  702   HH12  ARG  89          2HH2      ARG  89 -15.613   6.569 -10.522
  703   HH21  ARG  89          1HH1      ARG  89 -17.099   5.485  -7.644
  704   HH22  ARG  89          2HH1      ARG  89 -17.294   6.078  -9.271
  705    H    PHE  90           H        PHE  90  -9.722   4.404  -2.756
  706    HA   PHE  90           HA       PHE  90 -10.960   6.914  -1.713
  707    HB2  PHE  90           2HB      PHE  90 -11.138   4.185  -0.397
  708    HB3  PHE  90           3HB      PHE  90 -11.897   5.681   0.137
  709    HD1  PHE  90           HD1      PHE  90 -13.661   6.780  -1.422
  710    HD2  PHE  90           HD2      PHE  90 -12.250   2.733  -1.929
  711    HE1  PHE  90           HE1      PHE  90 -15.629   6.270  -2.850
  712    HE2  PHE  90           HE2      PHE  90 -14.217   2.226  -3.352
  713    HZ   PHE  90           HZ       PHE  90 -15.912   3.994  -3.815
  714    H    THR  91           H        THR  91 -10.072   7.588   0.422
  715    HA   THR  91           HA       THR  91  -7.224   7.630   0.394
  716    HB   THR  91           HB       THR  91  -9.065   8.321   2.725
  717    HG1  THR  91           1HG      THR  91  -8.903  10.411   1.789
  718   HG21  THR  91          1HG2      THR  91  -7.301   9.997   3.272
  719   HG22  THR  91          2HG2      THR  91  -6.696   8.346   3.416
  720   HG23  THR  91          3HG2      THR  91  -6.271   9.323   1.990
  721    H    ASP  92           H        ASP  92  -5.651   6.446   1.556
  722    HA   ASP  92           HA       ASP  92  -6.450   3.827   2.417
  723    HB2  ASP  92           2HB      ASP  92  -4.353   4.313   1.234
  724    HB3  ASP  92           3HB      ASP  92  -3.777   5.260   2.610
  725    H    LEU  93           H        LEU  93  -5.103   6.616   4.276
  726    HA   LEU  93           HA       LEU  93  -4.982   5.235   6.699
  727    HB2  LEU  93           2HB      LEU  93  -3.780   7.320   6.163
  728    HB3  LEU  93           3HB      LEU  93  -5.293   8.226   6.225
  729    HG   LEU  93           HG       LEU  93  -5.505   7.747   8.644
  730   HD11  LEU  93          1HD1      LEU  93  -3.570   6.770   9.881
  731   HD12  LEU  93          2HD1      LEU  93  -4.353   5.584   8.837
  732   HD13  LEU  93          3HD1      LEU  93  -2.817   6.329   8.332
  733   HD21  LEU  93          3HD2      LEU  93  -4.295   9.753   7.881
  734   HD22  LEU  93          1HD2      LEU  93  -3.633   9.135   9.403
  735   HD23  LEU  93          2HD2      LEU  93  -2.769   8.840   7.878
  736    H    LEU  94           H        LEU  94  -7.750   6.984   5.350
  737    HA   LEU  94           HA       LEU  94  -9.376   6.887   7.761
  738    HB2  LEU  94           2HB      LEU  94 -10.190   7.189   4.839
  739    HB3  LEU  94           3HB      LEU  94 -11.229   7.478   6.229
  740    HG   LEU  94           HG       LEU  94  -8.751   9.089   5.482
  741   HD11  LEU  94          1HD1      LEU  94 -11.706   9.824   5.480
  742   HD12  LEU  94          2HD1      LEU  94 -10.352  10.883   5.026
  743   HD13  LEU  94          3HD1      LEU  94 -10.734   9.462   4.038
  744   HD21  LEU  94          3HD2      LEU  94  -8.968   9.092   7.922
  745   HD22  LEU  94          1HD2      LEU  94  -9.484  10.654   7.278
  746   HD23  LEU  94          2HD2      LEU  94 -10.704   9.468   7.794
  747    H    GLN  95           H        GLN  95  -8.876   4.631   5.057
  748    HA   GLN  95           HA       GLN  95 -10.979   2.789   5.910
  749    HB2  GLN  95           2HB      GLN  95  -8.991   3.118   3.682
  750    HB3  GLN  95           3HB      GLN  95  -9.395   1.486   4.107
  751    HG2  GLN  95           2HG      GLN  95 -10.805   2.428   2.272
  752    HG3  GLN  95           3HG      GLN  95 -11.725   1.794   3.634
  753   HE21  GLN  95          2HE2      GLN  95 -10.271   5.028   2.669
  754   HE22  GLN  95          1HE2      GLN  95 -11.756   5.890   3.080
  755    H    LEU  96           H        LEU  96  -7.478   3.152   6.413
  756    HA   LEU  96           HA       LEU  96  -6.949   0.563   7.348
  757    HB2  LEU  96           2HB      LEU  96  -5.301   2.172   6.592
  758    HB3  LEU  96           3HB      LEU  96  -5.606   3.235   7.955
  759    HG   LEU  96           HG       LEU  96  -4.688   0.405   8.511
  760   HD11  LEU  96          1HD1      LEU  96  -3.174   1.174   6.735
  761   HD12  LEU  96          2HD1      LEU  96  -2.864   2.678   7.626
  762   HD13  LEU  96          3HD1      LEU  96  -2.335   1.115   8.290
  763   HD21  LEU  96          3HD2      LEU  96  -4.009   3.103   9.793
  764   HD22  LEU  96          1HD2      LEU  96  -5.185   1.946  10.435
  765   HD23  LEU  96          2HD2      LEU  96  -3.481   1.509  10.367
  766    H    VAL  97           H        VAL  97  -8.419   3.231   9.169
  767    HA   VAL  97           HA       VAL  97  -8.020   1.990  11.757
  768    HB   VAL  97           HB       VAL  97 -10.061   4.096  10.962
  769   HG11  VAL  97          1HG1      VAL  97 -10.078   4.620  13.396
  770   HG12  VAL  97          2HG1      VAL  97 -10.695   2.997  13.090
  771   HG13  VAL  97          3HG1      VAL  97  -9.041   3.212  13.708
  772   HG21  VAL  97          3HG2      VAL  97  -7.736   4.862  10.601
  773   HG22  VAL  97          1HG2      VAL  97  -8.460   5.674  11.989
  774   HG23  VAL  97          2HG2      VAL  97  -7.311   4.343  12.244
  775    H    GLU  98           H        GLU  98 -11.217   2.464  10.197
  776    HA   GLU  98           HA       GLU  98 -12.320   0.186  11.684
  777    HB2  GLU  98           2HB      GLU  98 -13.559   2.272  11.476
  778    HB3  GLU  98           3HB      GLU  98 -13.429   2.233   9.724
  779    HG2  GLU  98           2HG      GLU  98 -15.667   1.644  10.403
  780    HG3  GLU  98           3HG      GLU  98 -14.885   0.308   9.568
  781    H    PHE  99           H        PHE  99 -11.687   0.793   8.211
  782    HA   PHE  99           HA       PHE  99 -13.024  -1.708   7.523
  783    HB2  PHE  99           2HB      PHE  99 -11.818   0.416   5.752
  784    HB3  PHE  99           3HB      PHE  99 -12.685  -1.004   5.194
  785    HD1  PHE  99           HD2      PHE  99 -15.094  -1.344   5.709
  786    HD2  PHE  99           HD1      PHE  99 -13.060   2.332   6.697
  787    HE1  PHE  99           HE2      PHE  99 -17.283  -0.207   6.007
  788    HE2  PHE  99           HE1      PHE  99 -15.246   3.461   6.993
  789    HZ   PHE  99           HZ       PHE  99 -17.361   2.197   6.652
  790    H    HIS 100           H        HIS 100  -9.833  -1.455   8.569
  791    HA   HIS 100           HA       HIS 100  -8.571  -2.885   6.426
  792    HB2  HIS 100           2HB      HIS 100  -6.674  -3.174   7.789
  793    HB3  HIS 100           3HB      HIS 100  -7.333  -1.596   8.141
  794    HD1  HIS 100           HD1      HIS 100  -7.899  -1.137  10.694
  795    HD2  HIS 100           HD2      HIS 100  -6.882  -5.119   9.724
  796    HE1  HIS 100           HE1      HIS 100  -7.674  -2.395  12.933
  797    HE2  HIS 100           HE2      HIS 100  -7.024  -4.817  12.331
  798    H    GLN 101           H        GLN 101 -10.060  -4.186   9.372
  799    HA   GLN 101           HA       GLN 101  -9.430  -6.927   8.709
  800    HB2  GLN 101           2HB      GLN 101 -10.476  -7.523  10.729
  801    HB3  GLN 101           3HB      GLN 101  -9.505  -6.100  11.019
  802    HG2  GLN 101           2HG      GLN 101 -12.543  -6.063  10.668
  803    HG3  GLN 101           3HG      GLN 101 -11.727  -6.214  12.213
  804   HE21  GLN 101          2HE2      GLN 101 -13.452  -4.146  12.127
  805   HE22  GLN 101          1HE2      GLN 101 -12.641  -2.638  11.694
  806    H    LEU 102           H        LEU 102 -11.933  -4.938   7.570
  807    HA   LEU 102           HA       LEU 102 -13.261  -7.243   6.325
  808    HB2  LEU 102           2HB      LEU 102 -14.398  -6.337   8.586
  809    HB3  LEU 102           3HB      LEU 102 -15.031  -5.098   7.537
  810    HG   LEU 102           HG       LEU 102 -16.669  -6.810   7.763
  811   HD11  LEU 102          1HD1      LEU 102 -17.077  -7.649   5.526
  812   HD12  LEU 102          2HD1      LEU 102 -16.469  -5.990   5.432
  813   HD13  LEU 102          3HD1      LEU 102 -15.395  -7.359   5.051
  814   HD21  LEU 102          3HD2      LEU 102 -16.292  -9.176   7.310
  815   HD22  LEU 102          1HD2      LEU 102 -14.589  -8.864   6.916
  816   HD23  LEU 102          2HD2      LEU 102 -15.182  -8.598   8.564
  817    H    ASN 103           H        ASN 103 -11.714  -6.267   4.786
  818    HA   ASN 103           HA       ASN 103 -12.623  -3.764   3.460
  819    HB2  ASN 103           2HB      ASN 103 -10.181  -4.353   4.432
  820    HB3  ASN 103           3HB      ASN 103  -9.990  -5.181   2.914
  821   HD21  ASN 103          2HD2      ASN 103 -10.587  -2.075   4.445
  822   HD22  ASN 103          1HD2      ASN 103 -10.124  -1.094   3.038
  823    H    ARG 104           H        ARG 104 -11.449  -4.128   0.980
  824    HA   ARG 104           HA       ARG 104 -13.099  -6.233  -0.362
  825    HB2  ARG 104           2HB      ARG 104 -11.549  -3.906  -1.581
  826    HB3  ARG 104           3HB      ARG 104 -12.709  -4.952  -2.392
  827    HG2  ARG 104           2HG      ARG 104 -13.297  -2.856  -0.266
  828    HG3  ARG 104           3HG      ARG 104 -13.750  -2.831  -1.972
  829    HD2  ARG 104           2HD      ARG 104 -15.197  -4.840  -1.587
  830    HD3  ARG 104           3HD      ARG 104 -14.786  -4.760   0.144
  831    HE   ARG 104           HE       ARG 104 -15.773  -2.215  -0.673
  832   HH11  ARG 104          1HH1      ARG 104 -17.036  -5.443  -0.156
  833   HH12  ARG 104          2HH1      ARG 104 -18.637  -4.863   0.218
  834   HH21  ARG 104          1HH2      ARG 104 -17.839  -1.536  -0.183
  835   HH22  ARG 104          2HH2      ARG 104 -19.073  -2.699   0.201
  836    H    GLY 105           H        GLY 105 -10.174  -6.131   1.012
  837    HA2  GLY 105           2HA      GLY 105  -8.078  -7.095   0.761
  838    HA3  GLY 105           3HA      GLY 105  -8.970  -8.332  -0.094
  839    H    ILE 106           H        ILE 106  -7.392  -8.842  -1.361
  840    HA   ILE 106           HA       ILE 106  -6.397  -6.924  -3.412
  841    HB   ILE 106           HB       ILE 106  -4.563  -8.228  -3.696
  842   HG12  ILE 106          2HG1      ILE 106  -5.304 -10.383  -4.158
  843   HG13  ILE 106          3HG1      ILE 106  -4.177 -10.500  -2.841
  844   HG21  ILE 106          1HG2      ILE 106  -3.604  -8.645  -1.483
  845   HG22  ILE 106          2HG2      ILE 106  -4.592  -7.175  -1.463
  846   HG23  ILE 106          3HG2      ILE 106  -5.189  -8.676  -0.731
  847   HD11  ILE 106          3HD1      ILE 106  -6.126 -10.717  -1.236
  848   HD12  ILE 106          1HD1      ILE 106  -7.209 -10.783  -2.643
  849   HD13  ILE 106          2HD1      ILE 106  -5.973 -12.025  -2.411
  850    H    LEU 107           H        LEU 107  -5.955  -8.115  -5.688
  851    HA   LEU 107           HA       LEU 107  -8.209  -8.283  -7.121
  852    HB2  LEU 107           2HB      LEU 107  -5.477  -9.142  -7.521
  853    HB3  LEU 107           3HB      LEU 107  -6.560 -10.261  -8.342
  854    HG   LEU 107           HG       LEU 107  -6.660  -7.252  -8.699
  855   HD11  LEU 107          1HD1      LEU 107  -4.536  -8.182  -9.512
  856   HD12  LEU 107          2HD1      LEU 107  -5.420  -9.405 -10.458
  857   HD13  LEU 107          3HD1      LEU 107  -5.558  -7.683 -10.863
  858   HD21  LEU 107          3HD2      LEU 107  -8.812  -8.393  -9.231
  859   HD22  LEU 107          1HD2      LEU 107  -8.021  -7.816 -10.696
  860   HD23  LEU 107          2HD2      LEU 107  -7.940  -9.535 -10.273
  861    HA   PRO 108           HA       PRO 108  -9.638 -12.617  -6.626
  862    HB2  PRO 108           2HB      PRO 108  -7.934 -14.727  -6.756
  863    HB3  PRO 108           3HB      PRO 108  -8.134 -13.529  -8.063
  864    HG2  PRO 108           2HG      PRO 108  -5.789 -13.924  -6.313
  865    HG3  PRO 108           3HG      PRO 108  -5.948 -12.970  -7.820
  866    HD2  PRO 108           2HD      PRO 108  -6.235 -12.121  -4.991
  867    HD3  PRO 108           3HD      PRO 108  -5.821 -11.144  -6.399
  868    H    CYS 109           H        CYS 109  -7.113 -13.264  -4.033
  869    HA   CYS 109           HA       CYS 109  -8.834 -15.147  -2.729
  870    HB2  CYS 109           2HB      CYS 109  -5.975 -14.170  -2.344
  871    HB3  CYS 109           3HB      CYS 109  -6.732 -15.485  -1.475
  872    HG   CYS 109           HG       CYS 109  -5.139 -16.423  -3.331
  873    H    LEU 110           H        LEU 110  -7.085 -13.967  -0.226
  874    HA   LEU 110           HA       LEU 110  -9.292 -13.501   1.386
  875    HB2  LEU 110           2HB      LEU 110  -6.337 -12.958   1.631
  876    HB3  LEU 110           3HB      LEU 110  -7.387 -12.282   2.845
  877    HG   LEU 110           HG       LEU 110  -6.358 -14.402   3.520
  878   HD11  LEU 110          1HD1      LEU 110  -8.491 -13.642   4.520
  879   HD12  LEU 110          2HD1      LEU 110  -9.392 -14.609   3.326
  880   HD13  LEU 110          3HD1      LEU 110  -8.333 -15.404   4.502
  881   HD21  LEU 110          3HD2      LEU 110  -7.106 -16.545   2.670
  882   HD22  LEU 110          1HD2      LEU 110  -8.154 -15.763   1.472
  883   HD23  LEU 110          2HD2      LEU 110  -6.383 -15.607   1.356
  884    H    LEU 111           H        LEU 111 -10.358 -11.879   2.263
  885    HA   LEU 111           HA       LEU 111 -10.393  -9.370   0.784
  886    HB2  LEU 111           2HB      LEU 111 -12.568  -9.074   1.412
  887    HB3  LEU 111           3HB      LEU 111 -12.349 -10.734   0.935
  888    HG   LEU 111           HG       LEU 111 -13.915 -10.645   2.705
  889   HD11  LEU 111          1HD1      LEU 111 -12.335 -12.562   2.803
  890   HD12  LEU 111          2HD1      LEU 111 -11.366 -11.670   4.013
  891   HD13  LEU 111          3HD1      LEU 111 -13.036 -12.135   4.369
  892   HD21  LEU 111          3HD2      LEU 111 -13.656  -9.715   4.854
  893   HD22  LEU 111          1HD2      LEU 111 -11.935  -9.378   4.622
  894   HD23  LEU 111          2HD2      LEU 111 -13.150  -8.461   3.705
  895    H    ARG 112           H        ARG 112  -8.841 -10.126   3.637
  896    HA   ARG 112           HA       ARG 112  -9.244  -7.372   4.773
  897    HB2  ARG 112           2HB      ARG 112  -8.670  -8.242   6.944
  898    HB3  ARG 112           3HB      ARG 112 -10.063  -9.086   6.270
  899    HG2  ARG 112           2HG      ARG 112  -8.626 -11.031   5.699
  900    HG3  ARG 112           3HG      ARG 112  -7.208 -10.176   6.339
  901    HD2  ARG 112           2HD      ARG 112  -8.263 -10.065   8.567
  902    HD3  ARG 112           3HD      ARG 112  -9.694 -10.892   7.963
  903    HE   ARG 112           HE       ARG 112  -7.031 -12.036   8.543
  904   HH11  ARG 112          1HH1      ARG 112 -10.184 -12.745   7.164
  905   HH12  ARG 112          2HH1      ARG 112  -9.942 -14.464   7.277
  906   HH21  ARG 112          1HH2      ARG 112  -6.811 -14.238   8.686
  907   HH22  ARG 112          2HH2      ARG 112  -8.076 -15.282   8.114
  908    H    HIS 113           H        HIS 113  -7.506  -6.256   5.648
  909    HA   HIS 113           HA       HIS 113  -4.725  -7.060   4.764
  910    HB2  HIS 113           2HB      HIS 113  -5.648  -4.195   4.820
  911    HB3  HIS 113           3HB      HIS 113  -4.178  -4.887   4.203
  912    HD2  HIS 113           HD2      HIS 113  -7.452  -3.657   3.080
  913    HE1  HIS 113           HE1      HIS 113  -5.734  -5.603  -0.291
  914    HE2  HIS 113           HE2      HIS 113  -7.581  -4.026   0.478
  915    H    CYS 114           H        CYS 114  -3.126  -6.090   5.854
  916    HA   CYS 114           HA       CYS 114  -3.402  -5.125   8.627
  917    HB2  CYS 114           2HB      CYS 114  -1.660  -7.471   7.762
  918    HB3  CYS 114           3HB      CYS 114  -1.955  -6.895   9.390
  919    HG   CYS 114           HG       CYS 114  -4.559  -7.457   9.388
  920    H    CYS 115           H        CYS 115  -0.582  -5.239   9.116
  921    HA   CYS 115           HA       CYS 115   0.638  -3.669   6.867
  922    HB2  CYS 115           2HB      CYS 115   0.842  -3.047   9.835
  923    HB3  CYS 115           3HB      CYS 115   1.734  -2.234   8.540
  924    HG   CYS 115           HG       CYS 115  -0.473  -1.523   7.182
  925    H    THR 116           H        THR 116   2.624  -4.261   6.237
  926    HA   THR 116           HA       THR 116   4.085  -6.341   7.827
  927    HB   THR 116           HB       THR 116   3.475  -6.855   5.453
  928    HG1  THR 116           1HG      THR 116   5.735  -7.596   5.092
  929   HG21  THR 116          1HG2      THR 116   4.128  -4.657   4.418
  930   HG22  THR 116          2HG2      THR 116   5.830  -5.051   4.742
  931   HG23  THR 116          3HG2      THR 116   4.866  -6.070   3.653
  932    H    ARG 117           H        ARG 117   6.554  -6.163   7.261
  933    HA   ARG 117           HA       ARG 117   7.492  -3.423   8.071
  934    HB2  ARG 117           2HB      ARG 117   8.947  -4.372   9.761
  935    HB3  ARG 117           3HB      ARG 117   7.265  -4.787  10.076
  936    HG2  ARG 117           2HG      ARG 117   7.638  -7.077   9.196
  937    HG3  ARG 117           3HG      ARG 117   9.306  -6.657   8.781
  938    HD2  ARG 117           2HD      ARG 117   9.324  -7.896  10.858
  939    HD3  ARG 117           3HD      ARG 117   9.809  -6.236  11.165
  940    HE   ARG 117           HE       ARG 117   7.905  -5.868  12.437
  941   HH11  ARG 117          1HH1      ARG 117   7.510  -9.002  10.905
  942   HH12  ARG 117          2HH1      ARG 117   6.136  -9.411  11.894
  943   HH21  ARG 117          1HH2      ARG 117   6.149  -6.452  13.654
  944   HH22  ARG 117          2HH2      ARG 117   5.389  -7.995  13.411
  945    H    VAL 118           H        VAL 118   9.821  -3.113   7.952
  946    HA   VAL 118           HA       VAL 118  11.102  -4.491   5.626
  947    HB   VAL 118           HB       VAL 118  12.119  -2.356   4.974
  948   HG11  VAL 118          1HG1      VAL 118  10.040  -3.180   3.897
  949   HG12  VAL 118          2HG1      VAL 118   9.082  -2.194   5.025
  950   HG13  VAL 118          3HG1      VAL 118  10.183  -1.413   3.872
  951   HG21  VAL 118          3HG2      VAL 118  10.214  -1.036   6.956
  952   HG22  VAL 118          1HG2      VAL 118  11.987  -1.091   7.099
  953   HG23  VAL 118          2HG2      VAL 118  11.232  -0.213   5.765
  954    H    ALA 119           H        ALA 119  13.416  -4.485   5.567
  955    HA   ALA 119           HA       ALA 119  14.643  -4.966   8.145
  956    HB1  ALA 119           3HB      ALA 119  16.635  -5.477   6.793
  957    HB2  ALA 119           1HB      ALA 119  15.196  -6.280   6.138
  958    HB3  ALA 119           2HB      ALA 119  15.841  -4.821   5.347
  959    H    LEU 120           H        LEU 120  16.412  -3.898   9.077
  960    HA   LEU 120           HA       LEU 120  17.142  -1.169   8.225
  961    HB2  LEU 120           2HB      LEU 120  15.148  -0.921   9.693
  962    HB3  LEU 120           3HB      LEU 120  15.962  -1.847  10.952
  963    HG   LEU 120           HG       LEU 120  17.687  -0.065  11.159
  964   HD11  LEU 120          1HD1      LEU 120  17.643   0.914   8.914
  965   HD12  LEU 120          2HD1      LEU 120  15.947   1.399   9.120
  966   HD13  LEU 120          3HD1      LEU 120  17.228   2.153  10.098
  967   HD21  LEU 120          3HD2      LEU 120  14.803   0.899  11.368
  968   HD22  LEU 120          1HD2      LEU 120  15.683  -0.054  12.582
  969   HD23  LEU 120          2HD2      LEU 120  16.205   1.598  12.214
  970    H2   PRO1135           H2       PRO1135   9.533 -14.644 -12.542
  971    H3   PRO1135           H3       PRO1135  10.653 -14.441 -11.348
  972    HA   PRO1135           HA       PRO1135  10.807 -12.126 -11.709
  973    HB2  PRO1135           2HB      PRO1135   9.050 -12.311 -14.164
  974    HB3  PRO1135           3HB      PRO1135  10.376 -11.168 -13.793
  975    HG2  PRO1135           2HG      PRO1135  10.534 -13.695 -15.207
  976    HG3  PRO1135           3HG      PRO1135  11.912 -12.653 -14.746
  977    HD2  PRO1135           2HD      PRO1135  11.514 -15.179 -13.683
  978    HD3  PRO1135           3HD      PRO1135  12.356 -13.855 -12.841
  979    H    GLN1136           H        GLN1136   9.097 -10.343 -11.592
  980    HA   GLN1136           HA       GLN1136   6.422 -11.281 -10.690
  981    HB2  GLN1136           2HB      GLN1136   8.306  -9.440  -9.163
  982    HB3  GLN1136           3HB      GLN1136   6.586  -9.625  -8.801
  983    HG2  GLN1136           2HG      GLN1136   6.972 -12.074  -8.385
  984    HG3  GLN1136           3HG      GLN1136   8.706 -11.803  -8.600
  985   HE21  GLN1136          2HE2      GLN1136   9.898 -10.853  -6.834
  986   HE22  GLN1136          1HE2      GLN1136   9.106 -10.373  -5.338
  987    HA   PRO1137           HA       PRO1137   5.078  -7.850 -13.171
  988    HB2  PRO1137           2HB      PRO1137   2.575  -7.342 -12.244
  989    HB3  PRO1137           3HB      PRO1137   2.999  -8.892 -13.035
  990    HG2  PRO1137           2HG      PRO1137   2.922  -8.293 -10.053
  991    HG3  PRO1137           3HG      PRO1137   2.118  -9.638 -10.926
  992    HD2  PRO1137           2HD      PRO1137   4.528  -9.967  -9.713
  993    HD3  PRO1137           3HD      PRO1137   4.174 -10.756 -11.281
  994    H    GLU1138           H        GLU1138   4.492  -5.577 -13.189
  995    HA   GLU1138           HA       GLU1138   5.688  -4.044 -11.053
  996    HB2  GLU1138           2HB      GLU1138   4.299  -3.038 -13.574
  997    HB3  GLU1138           3HB      GLU1138   5.306  -2.123 -12.470
  998    HG2  GLU1138           2HG      GLU1138   6.589  -2.504 -14.322
  999    HG3  GLU1138           3HG      GLU1138   7.231  -3.583 -13.085
 1000    H    PTR1139           H        PTR1139   3.056  -2.460 -12.454
 1001    HA   PTR1139           HA       PTR1139   1.709  -2.021  -9.952
 1002    HB2  PTR1139           2HB      PTR1139   1.845  -0.425 -12.357
 1003    HB3  PTR1139           3HB      PTR1139   0.893  -0.037 -10.921
 1004    HD1  PTR1139           1HD      PTR1139   2.200   0.194  -8.519
 1005    HD2  PTR1139           2HD      PTR1139   4.239   0.189 -12.411
 1006    HE1  PTR1139           1HE      PTR1139   4.295   0.737  -7.522
 1007    HE2  PTR1139           2HE      PTR1139   6.024   1.542 -11.337
 1008    H    VAL1140           H        VAL1140  -0.785  -1.311 -10.835
 1009    HA   VAL1140           HA       VAL1140  -2.210  -3.774 -11.390
 1010    HB   VAL1140           HB       VAL1140  -2.258  -2.435  -8.561
 1011   HG11  VAL1140          1HG1      VAL1140  -3.856  -4.316  -7.788
 1012   HG12  VAL1140          2HG1      VAL1140  -4.501  -2.944  -8.651
 1013   HG13  VAL1140          3HG1      VAL1140  -4.234  -4.539  -9.494
 1014   HG21  VAL1140          3HG2      VAL1140  -1.784  -5.382  -9.280
 1015   HG22  VAL1140          1HG2      VAL1140  -0.518  -4.224  -8.856
 1016   HG23  VAL1140          2HG2      VAL1140  -1.689  -4.681  -7.642
 1017    H    ASN1141           H        ASN1141  -2.737  -0.383 -10.446
 1018    HA   ASN1141           HA       ASN1141  -5.383  -0.418 -11.474
 1019    HB2  ASN1141           2HB      ASN1141  -3.452   1.685 -12.338
 1020    HB3  ASN1141           3HB      ASN1141  -5.138   1.908 -12.085
 1021   HD21  ASN1141          1HD2      ASN1141  -1.991   1.481 -10.394
 1022   HD22  ASN1141          2HD2      ASN1141  -2.631   2.146  -8.875
 1023    H    GLN1142           H        GLN1142  -2.188  -0.529 -13.089
 1024    HA   GLN1142           HA       GLN1142  -2.834  -2.701 -14.748
 1025    HB2  GLN1142           2HB      GLN1142  -1.193  -0.118 -15.191
 1026    HB3  GLN1142           3HB      GLN1142  -1.188  -1.391 -16.379
 1027    HG2  GLN1142           2HG      GLN1142  -2.753  -0.284 -17.600
 1028    HG3  GLN1142           3HG      GLN1142  -3.919  -0.512 -16.316
 1029   HE21  GLN1142          2HE2      GLN1142  -4.625   1.463 -15.180
 1030   HE22  GLN1142          1HE2      GLN1142  -3.835   2.992 -15.486
 1031    HA   PRO1143           HA       PRO1143   1.419  -3.172 -13.450
 1032    HB2  PRO1143           2HB      PRO1143   1.841  -4.933 -15.864
 1033    HB3  PRO1143           3HB      PRO1143   2.220  -5.268 -14.148
 1034    HG2  PRO1143           2HG      PRO1143   0.075  -6.412 -15.394
 1035    HG3  PRO1143           3HG      PRO1143  -0.035  -5.857 -13.692
 1036    HD2  PRO1143           2HD      PRO1143  -0.921  -4.375 -16.199
 1037    HD3  PRO1143           3HD      PRO1143  -1.837  -4.679 -14.687
 1038    H    ASP1144           H        ASP1144   0.844  -1.020 -14.359
 1039    HA   ASP1144           HA       ASP1144   0.769   0.732 -15.465
 1040    HB2  ASP1144           2HB      ASP1144   2.659   1.104 -14.035
 1041    HB3  ASP1144           3HB      ASP1144   3.776   0.345 -15.168
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -0.650   7.176  32.093
    2    H2   GLY   1           H2       GLY   1  -1.404   6.962  33.531
    3    H3   GLY   1           H3       GLY   1   0.059   7.697  33.476
    4    HA2  GLY   1           2HA      GLY   1  -2.443   8.767  32.333
    5    HA3  GLY   1           3HA      GLY   1  -1.685   9.327  33.836
    6    H    SER   2           H        SER   2  -2.292  10.962  31.555
    7    HA   SER   2           HA       SER   2   0.154  11.511  30.081
    8    HB2  SER   2           2HB      SER   2  -1.169  13.421  29.164
    9    HB3  SER   2           3HB      SER   2  -1.926  11.835  28.962
   10    HG   SER   2           HG       SER   2  -3.401  13.432  29.704
   11    HA   PRO   3           HA       PRO   3   2.120  14.507  32.668
   12    HB2  PRO   3           2HB      PRO   3   2.215  16.368  30.294
   13    HB3  PRO   3           3HB      PRO   3   3.534  15.895  31.411
   14    HG2  PRO   3           2HG      PRO   3   3.363  14.760  28.964
   15    HG3  PRO   3           3HG      PRO   3   3.710  13.733  30.395
   16    HD2  PRO   3           2HD      PRO   3   1.059  14.159  28.989
   17    HD3  PRO   3           3HD      PRO   3   1.823  12.639  29.538
   18    H    ALA   4           H        ALA   4   1.797  16.372  33.922
   19    HA   ALA   4           HA       ALA   4  -0.876  17.521  33.937
   20    HB1  ALA   4           3HB      ALA   4   0.356  16.935  35.990
   21    HB2  ALA   4           1HB      ALA   4   1.603  18.146  35.599
   22    HB3  ALA   4           2HB      ALA   4  -0.061  18.658  35.958
   23    H    SER   5           H        SER   5   2.161  18.513  32.543
   24    HA   SER   5           HA       SER   5   0.933  20.900  31.348
   25    HB2  SER   5           2HB      SER   5   1.955  21.653  33.536
   26    HB3  SER   5           3HB      SER   5   3.536  21.145  32.910
   27    HG   SER   5           HG       SER   5   3.057  23.384  32.559
   28    H    GLY   6           H        GLY   6   2.329  21.814  29.618
   29    HA2  GLY   6           2HA      GLY   6   3.734  21.681  27.802
   30    HA3  GLY   6           3HA      GLY   6   4.670  20.457  28.660
   31    H    THR   7           H        THR   7   1.288  19.742  28.089
   32    HA   THR   7           HA       THR   7   1.881  17.304  26.732
   33    HB   THR   7           HB       THR   7  -0.606  17.205  26.347
   34    HG1  THR   7           1HG      THR   7  -1.821  18.838  27.329
   35   HG21  THR   7          1HG2      THR   7   0.418  16.366  28.444
   36   HG22  THR   7          2HG2      THR   7   0.224  17.970  29.184
   37   HG23  THR   7          3HG2      THR   7  -1.205  17.022  28.709
   38    H    SER   8           H        SER   8   1.343  20.494  25.380
   39    HA   SER   8           HA       SER   8   0.788  19.639  22.694
   40    HB2  SER   8           2HB      SER   8   1.989  22.265  23.654
   41    HB3  SER   8           3HB      SER   8   1.234  21.967  22.078
   42    HG   SER   8           HG       SER   8  -0.215  22.949  23.548
   43    H    LEU   9           H        LEU   9   3.631  19.296  24.401
   44    HA   LEU   9           HA       LEU   9   5.431  19.603  22.056
   45    HB2  LEU   9           2HB      LEU   9   6.113  19.066  24.965
   46    HB3  LEU   9           3HB      LEU   9   7.245  19.468  23.681
   47    HG   LEU   9           HG       LEU   9   5.099  21.338  24.787
   48   HD11  LEU   9          1HD1      LEU   9   6.996  22.570  25.728
   49   HD12  LEU   9          2HD1      LEU   9   6.952  20.913  26.351
   50   HD13  LEU   9          3HD1      LEU   9   8.128  21.355  25.092
   51   HD21  LEU   9          3HD2      LEU   9   7.297  21.841  22.732
   52   HD22  LEU   9          1HD2      LEU   9   5.546  21.861  22.425
   53   HD23  LEU   9          2HD2      LEU   9   6.266  23.088  23.471
   54    H    SER  10           H        SER  10   3.594  17.126  23.264
   55    HA   SER  10           HA       SER  10   5.416  14.928  23.331
   56    HB2  SER  10           2HB      SER  10   2.423  14.970  22.802
   57    HB3  SER  10           3HB      SER  10   3.386  13.518  23.144
   58    HG   SER  10           HG       SER  10   2.390  14.384  25.023
   59    H    ALA  11           H        ALA  11   6.038  13.411  21.868
   60    HA   ALA  11           HA       ALA  11   5.966  14.119  19.034
   61    HB1  ALA  11           3HB      ALA  11   7.598  12.293  18.833
   62    HB2  ALA  11           1HB      ALA  11   8.032  13.379  20.163
   63    HB3  ALA  11           2HB      ALA  11   7.285  11.802  20.509
   64    H    ALA  12           H        ALA  12   5.604  12.431  17.361
   65    HA   ALA  12           HA       ALA  12   2.992  11.209  17.563
   66    HB1  ALA  12           3HB      ALA  12   3.466  10.473  15.258
   67    HB2  ALA  12           1HB      ALA  12   3.870  12.186  15.473
   68    HB3  ALA  12           2HB      ALA  12   5.163  10.962  15.435
   69    H    ILE  13           H        ILE  13   2.512   8.948  17.152
   70    HA   ILE  13           HA       ILE  13   4.038   7.156  18.873
   71    HB   ILE  13           HB       ILE  13   1.629   6.573  17.106
   72   HG12  ILE  13          2HG1      ILE  13   1.775   7.231  20.092
   73   HG13  ILE  13          3HG1      ILE  13   1.198   8.331  18.842
   74   HG21  ILE  13          1HG2      ILE  13   2.885   4.499  17.748
   75   HG22  ILE  13          2HG2      ILE  13   2.791   4.986  19.454
   76   HG23  ILE  13          3HG2      ILE  13   1.328   4.571  18.540
   77   HD11  ILE  13          3HD1      ILE  13  -0.156   5.759  19.710
   78   HD12  ILE  13          1HD1      ILE  13  -0.713   7.422  19.920
   79   HD13  ILE  13          2HD1      ILE  13  -0.637   6.724  18.290
   80    H    HIS  14           H        HIS  14   5.328   5.454  18.311
   81    HA   HIS  14           HA       HIS  14   6.764   5.640  15.838
   82    HB2  HIS  14           2HB      HIS  14   7.042   3.643  18.106
   83    HB3  HIS  14           3HB      HIS  14   8.236   3.967  16.845
   84    HD2  HIS  14           HD2      HIS  14   8.928   6.804  16.741
   85    HE1  HIS  14           HE1      HIS  14   8.735   7.148  20.992
   86    HE2  HIS  14           HE2      HIS  14   9.583   8.243  18.854
   87    H    ARG  15           H        ARG  15   4.206   4.956  15.163
   88    HA   ARG  15           HA       ARG  15   4.636   2.477  13.582
   89    HB2  ARG  15           2HB      ARG  15   2.346   1.710  14.043
   90    HB3  ARG  15           3HB      ARG  15   3.116   2.053  15.599
   91    HG2  ARG  15           2HG      ARG  15   2.063   4.389  15.488
   92    HG3  ARG  15           3HG      ARG  15   1.176   3.855  14.064
   93    HD2  ARG  15           2HD      ARG  15   0.098   2.070  15.399
   94    HD3  ARG  15           3HD      ARG  15   0.969   2.648  16.841
   95    HE   ARG  15           HE       ARG  15  -0.439   4.821  15.578
   96   HH11  ARG  15          1HH1      ARG  15  -1.125   2.018  17.565
   97   HH12  ARG  15          2HH1      ARG  15  -2.599   2.698  18.198
   98   HH21  ARG  15          1HH2      ARG  15  -2.358   5.631  16.405
   99   HH22  ARG  15          2HH2      ARG  15  -3.270   4.700  17.553
  100    H    THR  16           H        THR  16   4.733   5.336  13.185
  101    HA   THR  16           HA       THR  16   2.708   5.872  11.033
  102    HB   THR  16           HB       THR  16   3.364   8.267  11.423
  103    HG1  THR  16           1HG      THR  16   4.216   7.560  13.983
  104   HG21  THR  16          1HG2      THR  16   1.268   7.359  12.353
  105   HG22  THR  16          2HG2      THR  16   2.124   6.740  13.777
  106   HG23  THR  16          3HG2      THR  16   2.010   8.494  13.493
  107    H    GLN  17           H        GLN  17   5.968   7.242  11.511
  108    HA   GLN  17           HA       GLN  17   6.559   6.960   8.647
  109    HB2  GLN  17           2HB      GLN  17   8.357   7.828  10.950
  110    HB3  GLN  17           3HB      GLN  17   8.760   7.908   9.243
  111    HG2  GLN  17           2HG      GLN  17   8.119  10.108   9.982
  112    HG3  GLN  17           3HG      GLN  17   6.897   9.497   8.841
  113   HE21  GLN  17          2HE2      GLN  17   7.526   9.324  12.401
  114   HE22  GLN  17          1HE2      GLN  17   5.810   9.395  12.748
  115    H    LEU  18           H        LEU  18   6.798   4.883  11.325
  116    HA   LEU  18           HA       LEU  18   9.237   3.502  10.560
  117    HB2  LEU  18           2HB      LEU  18   7.053   2.960  12.594
  118    HB3  LEU  18           3HB      LEU  18   8.342   1.808  12.314
  119    HG   LEU  18           HG       LEU  18   8.812   3.133  14.253
  120   HD11  LEU  18          1HD1      LEU  18  10.709   2.352  12.856
  121   HD12  LEU  18          2HD1      LEU  18  10.763   3.948  12.071
  122   HD13  LEU  18          3HD1      LEU  18  11.074   3.799  13.809
  123   HD21  LEU  18          3HD2      LEU  18   7.649   5.255  13.592
  124   HD22  LEU  18          1HD2      LEU  18   9.268   5.479  14.281
  125   HD23  LEU  18          2HD2      LEU  18   9.035   5.627  12.534
  126    H    TRP  19           H        TRP  19   6.147   3.254   9.333
  127    HA   TRP  19           HA       TRP  19   6.858   0.809   7.778
  128    HB2  TRP  19           2HB      TRP  19   4.241   1.438   9.140
  129    HB3  TRP  19           3HB      TRP  19   4.280   0.455   7.686
  130    HD1  TRP  19           HD1      TRP  19   5.107  -1.961   7.776
  131    HE1  TRP  19           HE1      TRP  19   5.782  -3.594   9.630
  132    HE3  TRP  19           HE3      TRP  19   5.362   1.337  11.676
  133    HZ2  TRP  19           HZ2      TRP  19   6.338  -3.487  12.460
  134    HZ3  TRP  19           HZ3      TRP  19   5.982   0.536  13.960
  135    HH2  TRP  19           HH2      TRP  19   6.469  -1.861  14.356
  136    H    PHE  20           H        PHE  20   7.707   3.233   7.014
  137    HA   PHE  20           HA       PHE  20   6.181   3.728   4.519
  138    HB2  PHE  20           2HB      PHE  20   5.363   5.371   6.127
  139    HB3  PHE  20           3HB      PHE  20   7.009   5.843   6.538
  140    HD1  PHE  20           HD1      PHE  20   4.463   5.838   3.801
  141    HD2  PHE  20           HD2      PHE  20   8.238   7.417   5.170
  142    HE1  PHE  20           HE1      PHE  20   4.448   7.490   1.945
  143    HE2  PHE  20           HE2      PHE  20   8.224   9.062   3.306
  144    HZ   PHE  20           HZ       PHE  20   6.328   9.100   1.694
  145    H    HIS  21           H        HIS  21   7.390   4.078   2.787
  146    HA   HIS  21           HA       HIS  21  10.201   4.952   2.910
  147    HB2  HIS  21           2HB      HIS  21   9.889   2.266   2.871
  148    HB3  HIS  21           3HB      HIS  21   9.582   2.550   1.178
  149    HD2  HIS  21           HD2      HIS  21  12.448   2.056   3.457
  150    HE1  HIS  21           HE1      HIS  21  14.137   3.732  -0.084
  151    HE2  HIS  21           HE2      HIS  21  14.661   2.560   2.113
  152    H    GLY  22           H        GLY  22  10.872   5.935   0.662
  153    HA2  GLY  22           2HA      GLY  22   8.678   5.794  -1.293
  154    HA3  GLY  22           3HA      GLY  22   9.096   7.360  -0.757
  155    H    ARG  23           H        ARG  23  11.486   4.713  -1.083
  156    HA   ARG  23           HA       ARG  23  12.015   5.239  -3.917
  157    HB2  ARG  23           2HB      ARG  23  13.356   6.988  -2.802
  158    HB3  ARG  23           3HB      ARG  23  14.165   5.797  -1.788
  159    HG2  ARG  23           2HG      ARG  23  15.462   4.956  -3.600
  160    HG3  ARG  23           3HG      ARG  23  14.354   5.593  -4.813
  161    HD2  ARG  23           2HD      ARG  23  16.386   6.894  -4.845
  162    HD3  ARG  23           3HD      ARG  23  15.084   7.897  -4.253
  163    HE   ARG  23           HE       ARG  23  16.065   8.026  -2.142
  164   HH11  ARG  23          1HH2      ARG  23  17.878   5.640  -3.975
  165   HH12  ARG  23          2HH2      ARG  23  19.164   5.589  -2.801
  166   HH21  ARG  23          1HH1      ARG  23  17.730   7.899  -0.690
  167   HH22  ARG  23          2HH1      ARG  23  19.074   6.836  -0.988
  168    H    ILE  24           H        ILE  24  10.871   3.123  -3.117
  169    HA   ILE  24           HA       ILE  24  12.843   1.037  -3.782
  170    HB   ILE  24           HB       ILE  24  12.720   1.054  -1.325
  171   HG12  ILE  24          2HG1      ILE  24  11.934  -1.435  -2.854
  172   HG13  ILE  24          3HG1      ILE  24  13.542  -0.824  -2.521
  173   HG21  ILE  24          1HG2      ILE  24  10.271   1.598  -1.119
  174   HG22  ILE  24          2HG2      ILE  24   9.935  -0.111  -1.505
  175   HG23  ILE  24          3HG2      ILE  24  10.871   0.320  -0.063
  176   HD11  ILE  24          3HD1      ILE  24  11.603  -1.931  -0.452
  177   HD12  ILE  24          1HD1      ILE  24  13.067  -2.709  -1.068
  178   HD13  ILE  24          2HD1      ILE  24  13.201  -1.233  -0.088
  179    H    SER  25           H        SER  25  11.729   1.957  -5.615
  180    HA   SER  25           HA       SER  25   9.157   1.838  -6.440
  181    HB2  SER  25           2HB      SER  25  11.147   2.779  -7.618
  182    HB3  SER  25           3HB      SER  25  11.581   1.145  -8.151
  183    HG   SER  25           HG       SER  25   9.092   2.469  -8.652
  184    H    ARG  26           H        ARG  26   7.825   0.529  -7.684
  185    HA   ARG  26           HA       ARG  26   7.293  -1.969  -6.831
  186    HB2  ARG  26           2HB      ARG  26   5.713  -2.173  -8.633
  187    HB3  ARG  26           3HB      ARG  26   5.742  -0.541  -8.024
  188    HG2  ARG  26           2HG      ARG  26   6.879  -1.536 -10.676
  189    HG3  ARG  26           3HG      ARG  26   5.415  -0.586 -10.396
  190    HD2  ARG  26           2HD      ARG  26   6.970   1.181  -9.382
  191    HD3  ARG  26           3HD      ARG  26   8.286   0.326 -10.201
  192    HE   ARG  26           HE       ARG  26   6.334   0.791 -12.157
  193   HH11  ARG  26          2HH1      ARG  26   7.681   3.130  -9.860
  194   HH12  ARG  26          1HH1      ARG  26   7.454   4.382 -11.037
  195   HH21  ARG  26          2HH2      ARG  26   6.304   2.447 -13.538
  196   HH22  ARG  26          1HH2      ARG  26   6.696   4.067 -12.935
  197    H    GLU  27           H        GLU  27   9.561  -1.558  -9.500
  198    HA   GLU  27           HA       GLU  27   9.671  -4.479  -9.942
  199    HB2  GLU  27           2HB      GLU  27  11.416  -2.241 -11.028
  200    HB3  GLU  27           3HB      GLU  27  11.509  -3.947 -11.488
  201    HG2  GLU  27           2HG      GLU  27   9.064  -3.808 -12.176
  202    HG3  GLU  27           3HG      GLU  27   9.167  -2.057 -11.957
  203    H    GLU  28           H        GLU  28  11.334  -2.175  -7.902
  204    HA   GLU  28           HA       GLU  28  13.630  -3.929  -7.321
  205    HB2  GLU  28           2HB      GLU  28  12.804  -1.250  -6.131
  206    HB3  GLU  28           3HB      GLU  28  14.306  -2.105  -5.807
  207    HG2  GLU  28           2HG      GLU  28  13.439  -0.960  -8.499
  208    HG3  GLU  28           3HG      GLU  28  14.645  -0.283  -7.411
  209    H    SER  29           H        SER  29  10.777  -2.709  -5.516
  210    HA   SER  29           HA       SER  29  11.527  -3.950  -3.061
  211    HB2  SER  29           2HB      SER  29   8.939  -3.720  -2.619
  212    HB3  SER  29           3HB      SER  29  10.000  -2.318  -2.692
  213    HG   SER  29           HG       SER  29   9.109  -1.648  -4.433
  214    H    GLN  30           H        GLN  30   9.647  -5.309  -5.762
  215    HA   GLN  30           HA       GLN  30   8.885  -7.654  -4.278
  216    HB2  GLN  30           2HB      GLN  30   8.171  -8.617  -6.359
  217    HB3  GLN  30           3HB      GLN  30   7.631  -6.947  -6.223
  218    HG2  GLN  30           2HG      GLN  30   9.307  -6.206  -7.831
  219    HG3  GLN  30           3HG      GLN  30  10.059  -7.805  -7.855
  220   HE21  GLN  30          1HE2      GLN  30   6.607  -6.618  -8.197
  221   HE22  GLN  30          2HE2      GLN  30   6.348  -7.535  -9.670
  222    H    ARG  31           H        ARG  31  11.964  -6.834  -5.623
  223    HA   ARG  31           HA       ARG  31  12.950  -9.584  -5.847
  224    HB2  ARG  31           2HB      ARG  31  13.782  -7.475  -7.062
  225    HB3  ARG  31           3HB      ARG  31  14.587  -7.035  -5.553
  226    HG2  ARG  31           2HG      ARG  31  15.785  -9.290  -5.654
  227    HG3  ARG  31           3HG      ARG  31  15.057  -9.530  -7.248
  228    HD2  ARG  31           2HD      ARG  31  17.009  -7.354  -6.398
  229    HD3  ARG  31           3HD      ARG  31  17.335  -8.707  -7.473
  230    HE   ARG  31           HE       ARG  31  15.849  -7.738  -9.149
  231   HH11  ARG  31          1HH1      ARG  31  16.863  -5.460  -6.661
  232   HH12  ARG  31          2HH1      ARG  31  16.462  -4.078  -7.664
  233   HH21  ARG  31          1HH2      ARG  31  15.307  -5.886 -10.303
  234   HH22  ARG  31          2HH2      ARG  31  15.528  -4.313  -9.561
  235    H    LEU  32           H        LEU  32  12.766  -7.177  -3.305
  236    HA   LEU  32           HA       LEU  32  14.446  -8.767  -1.430
  237    HB2  LEU  32           2HB      LEU  32  13.306  -5.943  -1.409
  238    HB3  LEU  32           3HB      LEU  32  13.944  -6.703   0.040
  239    HG   LEU  32           HG       LEU  32  16.158  -6.970  -1.016
  240   HD11  LEU  32          1HD1      LEU  32  15.694  -7.026  -3.391
  241   HD12  LEU  32          2HD1      LEU  32  14.917  -5.419  -3.333
  242   HD13  LEU  32          3HD1      LEU  32  16.666  -5.595  -3.066
  243   HD21  LEU  32          3HD2      LEU  32  16.766  -4.601  -0.902
  244   HD22  LEU  32          1HD2      LEU  32  15.070  -4.126  -1.127
  245   HD23  LEU  32          2HD2      LEU  32  15.576  -4.972   0.349
  246    H    ILE  33           H        ILE  33  11.256  -7.153  -1.325
  247    HA   ILE  33           HA       ILE  33  10.427  -8.630   1.072
  248    HB   ILE  33           HB       ILE  33   9.077  -6.502  -0.621
  249   HG12  ILE  33          2HG1      ILE  33   9.975  -5.726   2.100
  250   HG13  ILE  33          3HG1      ILE  33  11.322  -6.250   1.127
  251   HG21  ILE  33          1HG2      ILE  33   8.291  -7.520   2.141
  252   HG22  ILE  33          2HG2      ILE  33   7.693  -6.013   1.415
  253   HG23  ILE  33          3HG2      ILE  33   7.311  -7.550   0.661
  254   HD11  ILE  33          3HD1      ILE  33   9.306  -4.131   0.283
  255   HD12  ILE  33          1HD1      ILE  33  10.948  -3.841   0.899
  256   HD13  ILE  33          2HD1      ILE  33  10.721  -4.670  -0.657
  257    H    GLY  34           H        GLY  34  10.322  -9.483  -2.174
  258    HA2  GLY  34           2HA      GLY  34   7.670 -10.761  -2.084
  259    HA3  GLY  34           3HA      GLY  34   8.783 -10.716  -3.443
  260    H    GLN  35           H        GLN  35  10.470 -11.801  -0.772
  261    HA   GLN  35           HA       GLN  35  10.387 -14.603  -1.602
  262    HB2  GLN  35           2HB      GLN  35  12.180 -14.918  -0.046
  263    HB3  GLN  35           3HB      GLN  35  12.468 -13.436  -0.952
  264    HG2  GLN  35           2HG      GLN  35  11.537 -12.137   1.046
  265    HG3  GLN  35           3HG      GLN  35  11.475 -13.665   1.929
  266   HE21  GLN  35          2HE2      GLN  35  13.586 -11.128   0.673
  267   HE22  GLN  35          1HE2      GLN  35  15.060 -11.775   1.397
  268    H    GLN  36           H        GLN  36   8.267 -12.850   0.286
  269    HA   GLN  36           HA       GLN  36   7.968 -14.530   2.559
  270    HB2  GLN  36           2HB      GLN  36   6.029 -12.504   1.379
  271    HB3  GLN  36           3HB      GLN  36   5.872 -13.258   2.965
  272    HG2  GLN  36           2HG      GLN  36   8.066 -11.374   2.056
  273    HG3  GLN  36           3HG      GLN  36   6.806 -11.036   3.230
  274   HE21  GLN  36          2HE2      GLN  36   9.960 -11.296   3.218
  275   HE22  GLN  36          1HE2      GLN  36  10.246 -12.293   4.643
  276    H    GLY  37           H        GLY  37   6.437 -16.089   3.084
  277    HA2  GLY  37           2HA      GLY  37   4.792 -17.312   0.899
  278    HA3  GLY  37           3HA      GLY  37   5.378 -18.128   2.350
  279    H    LEU  38           H        LEU  38   4.091 -14.961   2.824
  280    HA   LEU  38           HA       LEU  38   1.974 -15.989   4.562
  281    HB2  LEU  38           2HB      LEU  38   3.305 -13.313   4.053
  282    HB3  LEU  38           3HB      LEU  38   1.810 -13.375   4.942
  283    HG   LEU  38           HG       LEU  38   3.751 -13.259   6.406
  284   HD11  LEU  38          1HD1      LEU  38   2.285 -15.902   6.744
  285   HD12  LEU  38          2HD1      LEU  38   3.081 -14.942   8.000
  286   HD13  LEU  38          3HD1      LEU  38   1.646 -14.301   7.190
  287   HD21  LEU  38          3HD2      LEU  38   4.475 -16.080   5.551
  288   HD22  LEU  38          1HD2      LEU  38   5.371 -14.603   5.106
  289   HD23  LEU  38          2HD2      LEU  38   5.251 -15.092   6.801
  290    H    VAL  39           H        VAL  39  -0.046 -14.491   4.667
  291    HA   VAL  39           HA       VAL  39  -1.667 -15.007   2.303
  292    HB   VAL  39           HB       VAL  39  -3.528 -14.195   3.630
  293   HG11  VAL  39          1HG1      VAL  39  -1.767 -16.059   5.263
  294   HG12  VAL  39          2HG1      VAL  39  -3.529 -15.881   5.366
  295   HG13  VAL  39          3HG1      VAL  39  -2.795 -16.532   3.891
  296   HG21  VAL  39          3HG2      VAL  39  -1.539 -13.607   5.862
  297   HG22  VAL  39          1HG2      VAL  39  -2.372 -12.376   4.886
  298   HG23  VAL  39          2HG2      VAL  39  -3.301 -13.461   5.926
  299    H    ASP  40           H        ASP  40  -3.223 -13.669   1.411
  300    HA   ASP  40           HA       ASP  40  -2.364 -11.495   0.034
  301    HB2  ASP  40           2HB      ASP  40  -5.181 -12.212   0.720
  302    HB3  ASP  40           3HB      ASP  40  -4.696 -11.133  -0.582
  303    H    GLY  41           H        GLY  41  -2.019 -11.107   2.933
  304    HA2  GLY  41           2HA      GLY  41  -3.166  -8.286   3.226
  305    HA3  GLY  41           3HA      GLY  41  -3.370  -9.492   4.382
  306    H    LEU  42           H        LEU  42  -0.138  -9.724   3.259
  307    HA   LEU  42           HA       LEU  42   0.716  -8.118   5.638
  308    HB2  LEU  42           2HB      LEU  42   1.992 -10.409   4.116
  309    HB3  LEU  42           3HB      LEU  42   2.990  -9.333   5.060
  310    HG   LEU  42           HG       LEU  42   2.433 -11.401   6.206
  311   HD11  LEU  42          1HD1      LEU  42   3.035  -9.502   7.530
  312   HD12  LEU  42          2HD1      LEU  42   1.367  -8.901   7.554
  313   HD13  LEU  42          3HD1      LEU  42   1.788 -10.426   8.370
  314   HD21  LEU  42          3HD2      LEU  42   0.140 -11.736   5.326
  315   HD22  LEU  42          1HD2      LEU  42   0.243 -11.887   7.092
  316   HD23  LEU  42          2HD2      LEU  42  -0.437 -10.421   6.364
  317    H    PHE  43           H        PHE  43   0.069  -6.226   4.514
  318    HA   PHE  43           HA       PHE  43   1.812  -5.443   2.277
  319    HB2  PHE  43           2HB      PHE  43   0.127  -4.031   1.568
  320    HB3  PHE  43           3HB      PHE  43  -0.628  -5.397   2.111
  321    HD1  PHE  43           HD2      PHE  43   0.250  -1.959   3.473
  322    HD2  PHE  43           HD1      PHE  43  -2.613  -5.185   3.319
  323    HE1  PHE  43           HE2      PHE  43  -1.330  -0.609   4.788
  324    HE2  PHE  43           HE1      PHE  43  -4.230  -3.764   4.545
  325    HZ   PHE  43           HZ       PHE  43  -3.589  -1.501   5.322
  326    H    LEU  44           H        LEU  44   2.209  -3.178   2.002
  327    HA   LEU  44           HA       LEU  44   3.071  -1.590   4.367
  328    HB2  LEU  44           2HB      LEU  44   4.978  -3.050   3.674
  329    HB3  LEU  44           3HB      LEU  44   4.917  -2.379   2.066
  330    HG   LEU  44           HG       LEU  44   5.674  -0.142   2.983
  331   HD11  LEU  44          1HD1      LEU  44   6.536  -0.112   5.309
  332   HD12  LEU  44          2HD1      LEU  44   4.779  -0.343   5.288
  333   HD13  LEU  44          3HD1      LEU  44   5.851  -1.730   5.585
  334   HD21  LEU  44          3HD2      LEU  44   7.946  -0.851   3.494
  335   HD22  LEU  44          1HD2      LEU  44   7.399  -2.519   3.773
  336   HD23  LEU  44          2HD2      LEU  44   7.292  -1.800   2.149
  337    H    VAL  45           H        VAL  45   3.273   0.725   3.856
  338    HA   VAL  45           HA       VAL  45   2.104   1.547   1.201
  339    HB   VAL  45           HB       VAL  45   1.784   3.030   3.832
  340   HG11  VAL  45          1HG1      VAL  45   0.146   4.354   2.515
  341   HG12  VAL  45          2HG1      VAL  45   1.760   4.479   1.808
  342   HG13  VAL  45          3HG1      VAL  45   0.542   3.419   1.058
  343   HG21  VAL  45          3HG2      VAL  45  -0.619   2.371   3.632
  344   HG22  VAL  45          1HG2      VAL  45  -0.200   1.302   2.275
  345   HG23  VAL  45          2HG2      VAL  45   0.429   0.979   3.908
  346    H    ARG  46           H        ARG  46   3.704   2.082   0.015
  347    HA   ARG  46           HA       ARG  46   5.801   4.042   0.801
  348    HB2  ARG  46           2HB      ARG  46   7.520   2.605   0.842
  349    HB3  ARG  46           3HB      ARG  46   6.380   1.357   1.187
  350    HG2  ARG  46           2HG      ARG  46   7.573   2.023  -1.535
  351    HG3  ARG  46           3HG      ARG  46   7.985   0.662  -0.500
  352    HD2  ARG  46           2HD      ARG  46   5.969  -0.415  -0.756
  353    HD3  ARG  46           3HD      ARG  46   5.120   0.965  -1.396
  354    HE   ARG  46           HE       ARG  46   5.876  -0.940  -2.988
  355   HH11  ARG  46          1HH1      ARG  46   7.273   2.314  -3.264
  356   HH12  ARG  46          2HH1      ARG  46   6.942   2.218  -4.984
  357   HH21  ARG  46          1HH2      ARG  46   6.088  -1.093  -4.963
  358   HH22  ARG  46          2HH2      ARG  46   6.429   0.362  -5.888
  359    H    GLU  47           H        GLU  47   7.028   4.737  -1.069
  360    HA   GLU  47           HA       GLU  47   5.806   4.064  -3.685
  361    HB2  GLU  47           2HB      GLU  47   5.306   6.415  -4.268
  362    HB3  GLU  47           3HB      GLU  47   4.341   5.832  -2.963
  363    HG2  GLU  47           2HG      GLU  47   6.797   7.181  -1.967
  364    HG3  GLU  47           3HG      GLU  47   5.851   8.202  -3.024
  365    HE2  GLU  47           2HE      GLU  47   5.426   9.482  -1.326
  366    H    SER  48           H        SER  48   6.851   6.126  -5.068
  367    HA   SER  48           HA       SER  48   9.780   5.893  -5.157
  368    HB2  SER  48           2HB      SER  48   9.138   6.697  -7.627
  369    HB3  SER  48           3HB      SER  48   8.952   4.994  -7.193
  370    HG   SER  48           HG       SER  48   6.845   5.230  -7.011
  371    H    GLN  49           H        GLN  49  10.870   7.720  -5.231
  372    HA   GLN  49           HA       GLN  49   9.558  10.348  -5.084
  373    HB2  GLN  49           2HB      GLN  49  11.405  11.002  -3.950
  374    HB3  GLN  49           3HB      GLN  49  11.480   9.307  -3.580
  375    HG2  GLN  49           2HG      GLN  49  13.306  11.025  -5.201
  376    HG3  GLN  49           3HG      GLN  49  13.665   9.701  -4.095
  377   HE21  GLN  49          2HE2      GLN  49  12.932   7.403  -5.097
  378   HE22  GLN  49          1HE2      GLN  49  13.452   7.236  -6.767
  379    H    ARG  50           H        ARG  50  10.077   8.356  -7.418
  380    HA   ARG  50           HA       ARG  50  11.293   9.996  -9.518
  381    HB2  ARG  50           2HB      ARG  50  11.906   7.517  -8.904
  382    HB3  ARG  50           3HB      ARG  50  10.429   7.097  -9.764
  383    HG2  ARG  50           2HG      ARG  50  11.844   6.981 -11.550
  384    HG3  ARG  50           3HG      ARG  50  11.553   8.716 -11.651
  385    HD2  ARG  50           2HD      ARG  50  13.905   7.275 -10.359
  386    HD3  ARG  50           3HD      ARG  50  13.955   8.254 -11.820
  387    HE   ARG  50           HE       ARG  50  13.834   9.167  -8.997
  388   HH11  ARG  50          1HH2      ARG  50  13.824  10.294 -12.327
  389   HH12  ARG  50          2HH2      ARG  50  14.137  11.938 -11.841
  390   HH21  ARG  50          1HH1      ARG  50  14.148  11.172  -8.461
  391   HH22  ARG  50          2HH1      ARG  50  14.339  12.441  -9.657
  392    H    ASN  51           H        ASN  51   8.163   7.798  -9.644
  393    HA   ASN  51           HA       ASN  51   7.200   9.787 -11.554
  394    HB2  ASN  51           2HB      ASN  51   5.734   7.505 -10.207
  395    HB3  ASN  51           3HB      ASN  51   5.231   8.405 -11.645
  396   HD21  ASN  51          1HD2      ASN  51   7.868   8.450 -12.994
  397   HD22  ASN  51          2HD2      ASN  51   8.208   6.780 -13.398
  398    HA   PRO  52           HA       PRO  52   6.317  12.491  -8.120
  399    HB2  PRO  52           2HB      PRO  52   4.769  14.139 -10.114
  400    HB3  PRO  52           3HB      PRO  52   6.039  14.657  -8.961
  401    HG2  PRO  52           2HG      PRO  52   6.645  14.350 -11.571
  402    HG3  PRO  52           3HG      PRO  52   7.762  13.694 -10.327
  403    HD2  PRO  52           2HD      PRO  52   5.614  12.212 -11.880
  404    HD3  PRO  52           3HD      PRO  52   7.333  11.798 -11.659
  405    H    GLN  53           H        GLN  53   3.828  11.054  -9.942
  406    HA   GLN  53           HA       GLN  53   1.492  11.845  -8.318
  407    HB2  GLN  53           2HB      GLN  53   1.871  10.010 -10.698
  408    HB3  GLN  53           3HB      GLN  53   0.322  10.444  -9.965
  409    HG2  GLN  53           2HG      GLN  53   0.658  12.811 -10.522
  410    HG3  GLN  53           3HG      GLN  53   2.247  12.474 -11.200
  411   HE21  GLN  53          2HE2      GLN  53   0.584  13.799 -12.850
  412   HE22  GLN  53          1HE2      GLN  53  -0.016  12.714 -14.097
  413    H    GLY  54           H        GLY  54   4.027   9.822  -7.435
  414    HA2  GLY  54           2HA      GLY  54   2.384   7.531  -6.988
  415    HA3  GLY  54           3HA      GLY  54   4.040   7.578  -6.671
  416    H    PHE  55           H        PHE  55   1.481   6.829  -5.548
  417    HA   PHE  55           HA       PHE  55   2.077   6.767  -2.669
  418    HB2  PHE  55           2HB      PHE  55  -0.678   7.559  -3.700
  419    HB3  PHE  55           3HB      PHE  55  -0.196   7.360  -2.021
  420    HD1  PHE  55           HD2      PHE  55   1.373   9.049  -0.966
  421    HD2  PHE  55           HD1      PHE  55  -0.236   9.576  -4.937
  422    HE1  PHE  55           HE2      PHE  55   2.014  11.448  -0.913
  423    HE2  PHE  55           HE1      PHE  55   0.434  11.966  -4.894
  424    HZ   PHE  55           HZ       PHE  55   1.550  12.908  -2.875
  425    H    VAL  56           H        VAL  56   2.638   4.436  -3.241
  426    HA   VAL  56           HA       VAL  56   0.436   2.762  -4.265
  427    HB   VAL  56           HB       VAL  56   1.999   1.608  -5.495
  428   HG11  VAL  56          1HG1      VAL  56   4.512   2.234  -5.219
  429   HG12  VAL  56          2HG1      VAL  56   3.437   3.500  -5.838
  430   HG13  VAL  56          3HG1      VAL  56   3.961   3.496  -4.167
  431   HG21  VAL  56          3HG2      VAL  56   3.838   0.362  -4.478
  432   HG22  VAL  56          1HG2      VAL  56   3.588   1.176  -2.941
  433   HG23  VAL  56          2HG2      VAL  56   2.361   0.062  -3.612
  434    H    LEU  57           H        LEU  57  -0.376   1.048  -3.449
  435    HA   LEU  57           HA       LEU  57   0.130   0.437  -0.575
  436    HB2  LEU  57           2HB      LEU  57  -2.270   0.794  -1.978
  437    HB3  LEU  57           3HB      LEU  57  -2.073  -0.957  -2.014
  438    HG   LEU  57           HG       LEU  57  -2.126   0.830   0.456
  439   HD11  LEU  57          1HD1      LEU  57  -4.319   0.468  -0.642
  440   HD12  LEU  57          2HD1      LEU  57  -4.075  -1.290  -0.550
  441   HD13  LEU  57          3HD1      LEU  57  -4.237  -0.330   0.937
  442   HD21  LEU  57          3HD2      LEU  57  -2.198  -1.315   1.728
  443   HD22  LEU  57          1HD2      LEU  57  -1.815  -2.188   0.240
  444   HD23  LEU  57          2HD2      LEU  57  -0.637  -1.054   0.943
  445    H    SER  58           H        SER  58   1.300  -1.548  -0.225
  446    HA   SER  58           HA       SER  58   2.090  -3.035  -2.713
  447    HB2  SER  58           2HB      SER  58   4.363  -3.266  -1.801
  448    HB3  SER  58           3HB      SER  58   3.921  -1.619  -2.287
  449    HG   SER  58           HG       SER  58   3.300  -1.562   0.158
  450    H    LEU  59           H        LEU  59   1.073  -4.853  -2.492
  451    HA   LEU  59           HA       LEU  59   0.458  -5.842   0.246
  452    HB2  LEU  59           2HB      LEU  59  -0.861  -6.237  -2.460
  453    HB3  LEU  59           3HB      LEU  59  -1.390  -7.049  -0.988
  454    HG   LEU  59           HG       LEU  59  -1.058  -4.134  -0.585
  455   HD11  LEU  59          1HD1      LEU  59  -1.777  -3.989  -2.927
  456   HD12  LEU  59          2HD1      LEU  59  -3.242  -4.917  -2.526
  457   HD13  LEU  59          3HD1      LEU  59  -2.968  -3.341  -1.784
  458   HD21  LEU  59          3HD2      LEU  59  -2.980  -4.276   0.650
  459   HD22  LEU  59          1HD2      LEU  59  -3.597  -5.705  -0.236
  460   HD23  LEU  59          2HD2      LEU  59  -2.235  -5.856   0.885
  461    H    CYS  60           H        CYS  60   0.107  -8.270   0.332
  462    HA   CYS  60           HA       CYS  60   2.453  -9.667  -0.717
  463    HB2  CYS  60           2HB      CYS  60   3.155  -9.377   1.606
  464    HB3  CYS  60           3HB      CYS  60   1.499  -9.699   2.163
  465    HG   CYS  60           HG       CYS  60   1.316 -12.143   1.494
  466    H    HIS  61           H        HIS  61   1.527 -11.205  -1.840
  467    HA   HIS  61           HA       HIS  61  -1.394 -11.354  -1.573
  468    HB2  HIS  61           2HB      HIS  61  -1.232 -10.225  -3.375
  469    HB3  HIS  61           3HB      HIS  61   0.413 -10.474  -3.522
  470    HD2  HIS  61           HD2      HIS  61  -2.434 -10.883  -5.577
  471    HE1  HIS  61           HE1      HIS  61   0.287 -13.773  -7.102
  472    HE2  HIS  61           HE2      HIS  61  -1.891 -12.554  -7.541
  473    H    LEU  62           H        LEU  62  -1.353 -13.424  -3.585
  474    HA   LEU  62           HA       LEU  62  -0.725 -15.819  -1.855
  475    HB2  LEU  62           2HB      LEU  62  -3.168 -15.224  -2.880
  476    HB3  LEU  62           3HB      LEU  62  -2.474 -15.814  -4.378
  477    HG   LEU  62           HG       LEU  62  -2.179 -18.077  -3.246
  478   HD11  LEU  62          1HD1      LEU  62  -2.194 -17.300  -0.866
  479   HD12  LEU  62          2HD1      LEU  62  -3.890 -16.796  -1.064
  480   HD13  LEU  62          3HD1      LEU  62  -3.451 -18.509  -1.185
  481   HD21  LEU  62          3HD2      LEU  62  -4.092 -17.576  -4.690
  482   HD22  LEU  62          1HD2      LEU  62  -4.565 -18.633  -3.350
  483   HD23  LEU  62          2HD2      LEU  62  -4.975 -16.904  -3.303
  484    H    GLN  63           H        GLN  63   0.857 -14.464  -4.174
  485    HA   GLN  63           HA       GLN  63   2.381 -16.642  -3.525
  486    HB2  GLN  63           2HB      GLN  63   3.125 -17.350  -5.968
  487    HB3  GLN  63           3HB      GLN  63   1.499 -17.829  -5.499
  488    HG2  GLN  63           2HG      GLN  63   0.503 -16.037  -6.763
  489    HG3  GLN  63           3HG      GLN  63   2.081 -15.273  -7.036
  490   HE21  GLN  63          2HE2      GLN  63   0.278 -18.351  -7.746
  491   HE22  GLN  63          1HE2      GLN  63   1.083 -18.591  -9.291
  492    H    LYS  64           H        LYS  64   2.285 -13.491  -4.550
  493    HA   LYS  64           HA       LYS  64   5.111 -13.239  -3.916
  494    HB2  LYS  64           2HB      LYS  64   5.702 -12.027  -6.000
  495    HB3  LYS  64           3HB      LYS  64   5.082 -13.619  -6.364
  496    HG2  LYS  64           2HG      LYS  64   2.750 -12.397  -6.679
  497    HG3  LYS  64           3HG      LYS  64   3.714 -10.930  -6.729
  498    HD2  LYS  64           2HD      LYS  64   3.395 -11.587  -8.990
  499    HD3  LYS  64           3HD      LYS  64   5.085 -11.940  -8.597
  500    HE2  LYS  64           2HE      LYS  64   4.437 -14.349  -8.202
  501    HE3  LYS  64           3HE      LYS  64   2.775 -13.945  -8.660
  502    HZ1  LYS  64           3HZ      LYS  64   3.615 -13.335 -10.876
  503    HZ2  LYS  64           1HZ      LYS  64   5.148 -13.721 -10.444
  504    HZ3  LYS  64           2HZ      LYS  64   4.000 -14.882 -10.520
  505    H    VAL  65           H        VAL  65   5.326 -10.471  -4.765
  506    HA   VAL  65           HA       VAL  65   3.253  -9.120  -3.100
  507    HB   VAL  65           HB       VAL  65   4.927  -7.373  -2.532
  508   HG11  VAL  65          1HG1      VAL  65   6.167  -8.746  -0.861
  509   HG12  VAL  65          2HG1      VAL  65   4.444  -9.052  -0.876
  510   HG13  VAL  65          3HG1      VAL  65   5.546 -10.217  -1.638
  511   HG21  VAL  65          3HG2      VAL  65   6.530  -7.591  -4.264
  512   HG22  VAL  65          1HG2      VAL  65   7.313  -7.873  -2.704
  513   HG23  VAL  65          2HG2      VAL  65   6.943  -9.249  -3.777
  514    H    LYS  66           H        LYS  66   2.372  -7.221  -3.888
  515    HA   LYS  66           HA       LYS  66   3.127  -6.422  -6.659
  516    HB2  LYS  66           2HB      LYS  66   1.213  -8.296  -6.371
  517    HB3  LYS  66           3HB      LYS  66   0.187  -6.877  -6.122
  518    HG2  LYS  66           2HG      LYS  66   0.982  -5.952  -8.292
  519    HG3  LYS  66           3HG      LYS  66   2.067  -7.323  -8.503
  520    HD2  LYS  66           2HD      LYS  66  -0.974  -7.557  -8.345
  521    HD3  LYS  66           3HD      LYS  66  -0.027  -7.462  -9.839
  522    HE2  LYS  66           2HE      LYS  66   1.257  -9.515  -9.083
  523    HE3  LYS  66           3HE      LYS  66   0.110  -9.678  -7.742
  524    HZ1  LYS  66           3HZ      LYS  66  -0.615  -9.728 -10.641
  525    HZ2  LYS  66           1HZ      LYS  66  -0.550 -11.032  -9.669
  526    HZ3  LYS  66           2HZ      LYS  66  -1.688  -9.880  -9.409
  527    H    HIS  67           H        HIS  67   2.401  -4.363  -7.331
  528    HA   HIS  67           HA       HIS  67   1.905  -2.536  -5.019
  529    HB2  HIS  67           2HB      HIS  67   3.438  -1.960  -7.528
  530    HB3  HIS  67           3HB      HIS  67   3.326  -0.939  -6.119
  531    HD2  HIS  67           HD2      HIS  67   5.152  -4.043  -7.408
  532    HE1  HIS  67           HE1      HIS  67   6.400  -3.638  -3.357
  533    HE2  HIS  67           HE2      HIS  67   6.826  -4.847  -5.550
  534    H    TYR  68           H        TYR  68   0.613  -0.903  -5.111
  535    HA   TYR  68           HA       TYR  68  -1.365  -0.732  -7.356
  536    HB2  TYR  68           2HB      TYR  68  -1.731  -2.017  -5.135
  537    HB3  TYR  68           3HB      TYR  68  -1.839  -0.458  -4.370
  538    HD1  TYR  68           HD2      TYR  68  -3.588  -0.443  -7.601
  539    HD2  TYR  68           HD1      TYR  68  -3.795  -1.724  -3.486
  540    HE1  TYR  68           HE2      TYR  68  -6.039  -0.798  -7.812
  541    HE2  TYR  68           HE1      TYR  68  -6.241  -2.069  -3.710
  542    HH   TYR  68           HH       TYR  68  -8.027  -1.458  -6.728
  543    H    LEU  69           H        LEU  69   0.250   1.231  -8.034
  544    HA   LEU  69           HA       LEU  69  -1.102   3.717  -7.065
  545    HB2  LEU  69           2HB      LEU  69   0.903   3.702  -5.987
  546    HB3  LEU  69           3HB      LEU  69   1.830   3.146  -7.370
  547    HG   LEU  69           HG       LEU  69   2.082   5.481  -6.571
  548   HD11  LEU  69          1HD1      LEU  69   2.686   6.333  -8.653
  549   HD12  LEU  69          2HD1      LEU  69   2.592   4.600  -8.950
  550   HD13  LEU  69          3HD1      LEU  69   1.275   5.656  -9.461
  551   HD21  LEU  69          3HD2      LEU  69   0.366   7.139  -6.904
  552   HD22  LEU  69          1HD2      LEU  69  -0.515   6.146  -8.015
  553   HD23  LEU  69          2HD2      LEU  69  -0.496   5.756  -6.286
  554    H    ILE  70           H        ILE  70  -1.987   4.720  -9.100
  555    HA   ILE  70           HA       ILE  70  -0.052   4.794 -11.331
  556    HB   ILE  70           HB       ILE  70  -2.821   3.760 -11.974
  557   HG12  ILE  70          2HG1      ILE  70  -0.020   2.595 -11.973
  558   HG13  ILE  70          3HG1      ILE  70  -1.365   2.118 -10.906
  559   HG21  ILE  70          1HG2      ILE  70  -1.920   3.490 -14.279
  560   HG22  ILE  70          2HG2      ILE  70  -1.894   5.185 -13.821
  561   HG23  ILE  70          3HG2      ILE  70  -0.397   4.248 -13.776
  562   HD11  ILE  70          3HD1      ILE  70  -2.268   1.295 -13.328
  563   HD12  ILE  70          1HD1      ILE  70  -0.526   1.038 -13.446
  564   HD13  ILE  70          2HD1      ILE  70  -1.403   0.396 -12.028
  565    H    LEU  71           H        LEU  71  -3.203   6.142 -10.106
  566    HA   LEU  71           HA       LEU  71  -2.268   8.641 -11.478
  567    HB2  LEU  71           2HB      LEU  71  -5.235   8.164 -11.415
  568    HB3  LEU  71           3HB      LEU  71  -4.248   9.039 -12.548
  569    HG   LEU  71           HG       LEU  71  -3.404   6.669 -13.303
  570   HD11  LEU  71          1HD1      LEU  71  -5.012   4.866 -13.058
  571   HD12  LEU  71          2HD1      LEU  71  -4.703   5.451 -11.418
  572   HD13  LEU  71          3HD1      LEU  71  -6.168   5.938 -12.252
  573   HD21  LEU  71          3HD2      LEU  71  -6.208   7.605 -13.971
  574   HD22  LEU  71          1HD2      LEU  71  -4.701   8.092 -14.779
  575   HD23  LEU  71          2HD2      LEU  71  -5.256   6.406 -14.885
  576    HA   PRO  72           HA       PRO  72  -3.070  10.826  -7.759
  577    HB2  PRO  72           2HB      PRO  72  -2.865  13.386  -8.575
  578    HB3  PRO  72           3HB      PRO  72  -1.489  12.259  -8.769
  579    HG2  PRO  72           2HG      PRO  72  -3.581  13.007 -10.848
  580    HG3  PRO  72           3HG      PRO  72  -1.799  13.064 -11.017
  581    HD2  PRO  72           2HD      PRO  72  -3.308  10.924 -11.835
  582    HD3  PRO  72           3HD      PRO  72  -1.651  10.730 -11.199
  583    H    SER  73           H        SER  73  -4.525  12.789  -6.990
  584    HA   SER  73           HA       SER  73  -7.185  11.972  -7.171
  585    HB2  SER  73           2HB      SER  73  -6.072  14.613  -6.221
  586    HB3  SER  73           3HB      SER  73  -7.726  14.020  -5.913
  587    HG   SER  73           HG       SER  73  -6.110  13.587  -4.241
  588    H    GLU  74           H        GLU  74  -9.026  12.606  -8.086
  589    HA   GLU  74           HA       GLU  74  -8.882  14.363 -10.513
  590    HB2  GLU  74           2HB      GLU  74 -10.451  11.780 -10.122
  591    HB3  GLU  74           3HB      GLU  74 -10.370  12.739 -11.598
  592    HG2  GLU  74           2HG      GLU  74  -8.084  11.174 -10.344
  593    HG3  GLU  74           3HG      GLU  74  -8.982  10.745 -11.784
  594    HE2  GLU  74           2HE      GLU  74  -6.187  11.703 -10.969
  595    H    GLU  75           H        GLU  75 -11.525  14.431 -11.221
  596    HA   GLU  75           HA       GLU  75 -12.710  16.044  -9.033
  597    HB2  GLU  75           2HB      GLU  75 -14.018  17.089 -10.744
  598    HB3  GLU  75           3HB      GLU  75 -12.323  17.055 -11.227
  599    HG2  GLU  75           2HG      GLU  75 -12.792  15.109 -12.719
  600    HG3  GLU  75           3HG      GLU  75 -14.488  15.148 -12.235
  601    H    GLU  76           H        GLU  76 -13.159  12.906 -10.212
  602    HA   GLU  76           HA       GLU  76 -15.816  12.717  -8.853
  603    HB2  GLU  76           2HB      GLU  76 -16.463  10.949 -10.383
  604    HB3  GLU  76           3HB      GLU  76 -16.162  12.464 -11.226
  605    HG2  GLU  76           2HG      GLU  76 -14.041  11.673 -12.088
  606    HG3  GLU  76           3HG      GLU  76 -14.090  10.237 -11.065
  607    H    GLY  77           H        GLY  77 -13.016  12.402  -7.857
  608    HA2  GLY  77           2HA      GLY  77 -13.352  10.241  -6.040
  609    HA3  GLY  77           3HA      GLY  77 -12.264   9.724  -7.338
  610    H    ARG  78           H        ARG  78 -10.798   9.614  -5.380
  611    HA   ARG  78           HA       ARG  78  -9.243  12.180  -5.096
  612    HB2  ARG  78           2HB      ARG  78  -9.613  10.216  -2.840
  613    HB3  ARG  78           3HB      ARG  78  -8.704  11.712  -2.779
  614    HG2  ARG  78           2HG      ARG  78 -11.726  11.637  -3.211
  615    HG3  ARG  78           3HG      ARG  78 -10.966  11.628  -1.634
  616    HD2  ARG  78           2HD      ARG  78 -11.575  13.879  -2.082
  617    HD3  ARG  78           3HD      ARG  78  -9.810  13.767  -2.137
  618    HE   ARG  78           HE       ARG  78 -11.079  13.513  -4.770
  619   HH11  ARG  78          1HH2      ARG  78 -10.115  15.946  -2.443
  620   HH12  ARG  78          2HH2      ARG  78  -9.930  17.173  -3.665
  621   HH21  ARG  78          1HH1      ARG  78 -10.755  15.103  -6.305
  622   HH22  ARG  78          2HH1      ARG  78 -10.317  16.703  -5.785
  623    H    LEU  79           H        LEU  79  -7.362  10.212  -3.426
  624    HA   LEU  79           HA       LEU  79  -5.468   9.815  -5.432
  625    HB2  LEU  79           2HB      LEU  79  -5.968   8.275  -2.843
  626    HB3  LEU  79           3HB      LEU  79  -4.681   7.829  -3.948
  627    HG   LEU  79           HG       LEU  79  -3.687  10.116  -3.727
  628   HD11  LEU  79          1HD1      LEU  79  -5.588  11.429  -2.899
  629   HD12  LEU  79          2HD1      LEU  79  -5.706  10.397  -1.448
  630   HD13  LEU  79          3HD1      LEU  79  -4.293  11.440  -1.706
  631   HD21  LEU  79          3HD2      LEU  79  -2.876   8.156  -2.451
  632   HD22  LEU  79          1HD2      LEU  79  -2.701   9.652  -1.524
  633   HD23  LEU  79          2HD2      LEU  79  -4.024   8.525  -1.145
  634    H    TYR  80           H        TYR  80  -5.426   8.394  -7.252
  635    HA   TYR  80           HA       TYR  80  -7.784   6.783  -7.550
  636    HB2  TYR  80           2HB      TYR  80  -6.285   8.251  -9.269
  637    HB3  TYR  80           3HB      TYR  80  -5.889   6.603  -9.736
  638    HD1  TYR  80           HD1      TYR  80  -8.585   9.101  -9.254
  639    HD2  TYR  80           HD2      TYR  80  -7.634   5.168 -10.754
  640    HE1  TYR  80           HE1      TYR  80 -10.721   9.075 -10.556
  641    HE2  TYR  80           HE2      TYR  80  -9.729   5.169 -12.088
  642    HH   TYR  80           HH       TYR  80 -11.545   6.363 -12.739
  643    H    PHE  81           H        PHE  81  -8.128   4.731  -7.925
  644    HA   PHE  81           HA       PHE  81  -6.133   2.809  -8.032
  645    HB2  PHE  81           2HB      PHE  81  -7.912   2.266  -5.715
  646    HB3  PHE  81           3HB      PHE  81  -6.553   1.326  -6.269
  647    HD1  PHE  81           HD1      PHE  81  -7.437   4.610  -4.666
  648    HD2  PHE  81           HD2      PHE  81  -4.389   1.640  -5.328
  649    HE1  PHE  81           HE1      PHE  81  -6.025   5.695  -2.965
  650    HE2  PHE  81           HE2      PHE  81  -2.964   2.744  -3.619
  651    HZ   PHE  81           HZ       PHE  81  -3.769   4.773  -2.441
  652    H    SER  82           H        SER  82  -6.709   1.119  -9.391
  653    HA   SER  82           HA       SER  82  -9.633   0.733  -9.884
  654    HB2  SER  82           2HB      SER  82  -7.644   1.217 -12.102
  655    HB3  SER  82           3HB      SER  82  -9.386   1.034 -12.246
  656    HG   SER  82           HG       SER  82  -9.611   2.935 -10.964
  657    H    MET  83           H        MET  83  -6.750  -1.289  -9.716
  658    HA   MET  83           HA       MET  83  -6.937  -3.336 -11.112
  659    HB2  MET  83           2HB      MET  83  -6.302  -4.702  -9.449
  660    HB3  MET  83           3HB      MET  83  -6.217  -3.150  -8.597
  661    HG2  MET  83           2HG      MET  83  -8.281  -3.605  -7.458
  662    HG3  MET  83           3HG      MET  83  -8.453  -5.148  -8.306
  663    HE1  MET  83           3HE      MET  83  -8.900  -6.154  -5.866
  664    HE2  MET  83           1HE      MET  83  -7.676  -6.173  -4.577
  665    HE3  MET  83           2HE      MET  83  -8.459  -4.650  -5.018
  666    H    ASP  84           H        ASP  84  -7.831  -5.368 -11.442
  667    HA   ASP  84           HA       ASP  84 -10.379  -5.371 -12.461
  668    HB2  ASP  84           2HB      ASP  84  -8.783  -7.760 -11.502
  669    HB3  ASP  84           3HB      ASP  84 -10.199  -7.860 -12.537
  670    H    ASP  85           H        ASP  85  -9.706  -6.319  -9.100
  671    HA   ASP  85           HA       ASP  85 -12.655  -6.629  -8.667
  672    HB2  ASP  85           2HB      ASP  85 -11.205  -8.653  -8.338
  673    HB3  ASP  85           3HB      ASP  85 -10.411  -7.809  -7.008
  674    H    GLY  86           H        GLY  86 -10.494  -4.231  -8.356
  675    HA2  GLY  86           2HA      GLY  86 -11.679  -3.117  -5.865
  676    HA3  GLY  86           3HA      GLY  86  -9.938  -3.266  -5.935
  677    H    GLN  87           H        GLN  87 -12.640  -1.407  -6.772
  678    HA   GLN  87           HA       GLN  87 -11.102   0.557  -8.411
  679    HB2  GLN  87           2HB      GLN  87 -13.316   1.551  -8.847
  680    HB3  GLN  87           3HB      GLN  87 -13.213  -0.121  -9.379
  681    HG2  GLN  87           2HG      GLN  87 -14.871  -0.812  -7.983
  682    HG3  GLN  87           3HG      GLN  87 -14.246   0.092  -6.604
  683   HE21  GLN  87          2HE2      GLN  87 -14.504   2.566  -6.799
  684   HE22  GLN  87          1HE2      GLN  87 -16.081   3.106  -7.401
  685    H    THR  88           H        THR  88 -10.023   0.484  -6.019
  686    HA   THR  88           HA       THR  88 -11.441   2.209  -4.239
  687    HB   THR  88           HB       THR  88  -9.631   1.695  -2.546
  688    HG1  THR  88           1HG      THR  88  -8.245   0.012  -3.211
  689   HG21  THR  88          1HG2      THR  88 -11.715   0.336  -2.758
  690   HG22  THR  88          2HG2      THR  88 -10.911  -0.705  -3.946
  691   HG23  THR  88          3HG2      THR  88 -10.316  -0.635  -2.270
  692    H    ARG  89           H        ARG  89  -9.866   3.348  -6.487
  693    HA   ARG  89           HA       ARG  89  -8.785   5.623  -6.176
  694    HB2  ARG  89           2HB      ARG  89 -10.132   6.652  -7.944
  695    HB3  ARG  89           3HB      ARG  89  -9.972   4.942  -8.273
  696    HG2  ARG  89           2HG      ARG  89 -12.239   4.481  -7.573
  697    HG3  ARG  89           3HG      ARG  89 -12.423   6.088  -6.858
  698    HD2  ARG  89           2HD      ARG  89 -12.078   7.082  -9.136
  699    HD3  ARG  89           3HD      ARG  89 -12.144   5.435  -9.812
  700    HE   ARG  89           HE       ARG  89 -14.452   5.736  -8.243
  701   HH11  ARG  89          1HH1      ARG  89 -13.188   7.326 -11.126
  702   HH12  ARG  89          2HH1      ARG  89 -14.784   7.908 -11.577
  703   HH21  ARG  89          1HH2      ARG  89 -16.462   6.497  -8.991
  704   HH22  ARG  89          2HH2      ARG  89 -16.510   7.412 -10.475
  705    H    PHE  90           H        PHE  90  -9.859   5.659  -3.600
  706    HA   PHE  90           HA       PHE  90 -10.750   8.461  -3.364
  707    HB2  PHE  90           2HB      PHE  90 -11.782   6.214  -1.600
  708    HB3  PHE  90           3HB      PHE  90 -12.285   7.897  -1.590
  709    HD1  PHE  90           HD2      PHE  90 -13.503   8.825  -3.674
  710    HD2  PHE  90           HD1      PHE  90 -12.840   4.613  -3.016
  711    HE1  PHE  90           HE2      PHE  90 -15.260   8.284  -5.348
  712    HE2  PHE  90           HE1      PHE  90 -14.601   4.076  -4.681
  713    HZ   PHE  90           HZ       PHE  90 -15.819   5.910  -5.843
  714    H    THR  91           H        THR  91 -10.355   9.056  -0.840
  715    HA   THR  91           HA       THR  91  -7.477   8.778  -0.605
  716    HB   THR  91           HB       THR  91  -8.645  10.855  -0.017
  717    HG1  THR  91           1HG      THR  91  -7.354  11.237   1.755
  718   HG21  THR  91          1HG2      THR  91  -9.729  11.143   2.143
  719   HG22  THR  91          2HG2      THR  91 -10.605   9.906   1.230
  720   HG23  THR  91          3HG2      THR  91  -9.499   9.428   2.539
  721    H    ASP  92           H        ASP  92  -6.291   7.995   1.272
  722    HA   ASP  92           HA       ASP  92  -7.095   5.281   1.911
  723    HB2  ASP  92           2HB      ASP  92  -4.776   5.925   1.444
  724    HB3  ASP  92           3HB      ASP  92  -4.761   6.985   2.855
  725    H    LEU  93           H        LEU  93  -6.855   8.289   3.860
  726    HA   LEU  93           HA       LEU  93  -7.204   7.110   6.384
  727    HB2  LEU  93           2HB      LEU  93  -6.364   9.389   5.948
  728    HB3  LEU  93           3HB      LEU  93  -7.965   9.894   5.404
  729    HG   LEU  93           HG       LEU  93  -8.872   9.531   7.688
  730   HD11  LEU  93          1HD1      LEU  93  -7.365   7.782   8.540
  731   HD12  LEU  93          2HD1      LEU  93  -5.979   8.891   8.426
  732   HD13  LEU  93          3HD1      LEU  93  -7.293   9.201   9.584
  733   HD21  LEU  93          3HD2      LEU  93  -6.379  11.277   7.615
  734   HD22  LEU  93          1HD2      LEU  93  -7.993  11.732   7.023
  735   HD23  LEU  93          2HD2      LEU  93  -7.740  11.428   8.748
  736    H    LEU  94           H        LEU  94  -9.758   8.275   4.166
  737    HA   LEU  94           HA       LEU  94 -11.895   7.782   6.099
  738    HB2  LEU  94           2HB      LEU  94 -11.993   8.306   3.101
  739    HB3  LEU  94           3HB      LEU  94 -13.393   8.237   4.165
  740    HG   LEU  94           HG       LEU  94 -11.152  10.298   4.320
  741   HD11  LEU  94          1HD1      LEU  94 -14.079  10.561   3.512
  742   HD12  LEU  94          2HD1      LEU  94 -12.876  11.870   3.577
  743   HD13  LEU  94          3HD1      LEU  94 -12.698  10.565   2.395
  744   HD21  LEU  94          3HD2      LEU  94 -12.641  11.465   5.945
  745   HD22  LEU  94          1HD2      LEU  94 -13.698  10.035   5.977
  746   HD23  LEU  94          2HD2      LEU  94 -12.022   9.939   6.574
  747    H    GLN  95           H        GLN  95 -10.452   5.840   3.428
  748    HA   GLN  95           HA       GLN  95 -12.410   3.745   3.564
  749    HB2  GLN  95           2HB      GLN  95  -9.674   4.248   2.325
  750    HB3  GLN  95           3HB      GLN  95 -10.440   2.688   2.276
  751    HG2  GLN  95           2HG      GLN  95 -12.479   3.704   1.221
  752    HG3  GLN  95           3HG      GLN  95 -11.640   5.260   1.185
  753   HE21  GLN  95          1HE2      GLN  95  -9.450   5.231  -0.045
  754   HE22  GLN  95          2HE2      GLN  95  -9.483   4.287  -1.541
  755    H    LEU  96           H        LEU  96  -9.240   4.339   5.158
  756    HA   LEU  96           HA       LEU  96  -8.796   1.832   6.289
  757    HB2  LEU  96           2HB      LEU  96  -7.246   3.693   6.243
  758    HB3  LEU  96           3HB      LEU  96  -8.198   4.608   7.402
  759    HG   LEU  96           HG       LEU  96  -7.099   1.875   8.150
  760   HD11  LEU  96          1HD1      LEU  96  -5.584   4.517   8.270
  761   HD12  LEU  96          2HD1      LEU  96  -5.047   2.972   8.972
  762   HD13  LEU  96          3HD1      LEU  96  -5.200   3.137   7.219
  763   HD21  LEU  96          3HD2      LEU  96  -7.607   4.430   9.758
  764   HD22  LEU  96          1HD2      LEU  96  -8.593   2.956   9.823
  765   HD23  LEU  96          2HD2      LEU  96  -6.936   2.920  10.408
  766    H    VAL  97           H        VAL  97 -10.976   4.379   7.559
  767    HA   VAL  97           HA       VAL  97 -11.612   3.124  10.040
  768    HB   VAL  97           HB       VAL  97 -13.325   4.958   8.313
  769   HG11  VAL  97          1HG1      VAL  97 -14.452   5.561  10.452
  770   HG12  VAL  97          2HG1      VAL  97 -14.746   3.884  10.003
  771   HG13  VAL  97          3HG1      VAL  97 -13.562   4.263  11.275
  772   HG21  VAL  97          3HG2      VAL  97 -11.166   5.992   8.949
  773   HG22  VAL  97          1HG2      VAL  97 -12.497   6.742   9.825
  774   HG23  VAL  97          2HG2      VAL  97 -11.449   5.565  10.646
  775    H    GLU  98           H        GLU  98 -13.009   2.625   6.803
  776    HA   GLU  98           HA       GLU  98 -15.003   0.657   7.733
  777    HB2  GLU  98           2HB      GLU  98 -15.637   2.069   5.915
  778    HB3  GLU  98           3HB      GLU  98 -14.124   1.795   5.063
  779    HG2  GLU  98           2HG      GLU  98 -15.951   0.654   3.960
  780    HG3  GLU  98           3HG      GLU  98 -14.710  -0.457   4.511
  781    H    PHE  99           H        PHE  99 -11.803   0.571   6.154
  782    HA   PHE  99           HA       PHE  99 -11.842  -2.310   5.837
  783    HB2  PHE  99           2HB      PHE  99  -9.607  -0.258   5.636
  784    HB3  PHE  99           3HB      PHE  99  -9.450  -1.932   5.169
  785    HD1  PHE  99           HD1      PHE  99 -12.652  -1.394   3.965
  786    HD2  PHE  99           HD2      PHE  99  -8.598  -0.079   3.282
  787    HE1  PHE  99           HE1      PHE  99 -13.237  -0.785   1.646
  788    HE2  PHE  99           HE2      PHE  99  -9.186   0.483   0.938
  789    HZ   PHE  99           HZ       PHE  99 -11.511   0.145   0.121
  790    H    HIS 100           H        HIS 100 -11.003  -0.396   8.590
  791    HA   HIS 100           HA       HIS 100  -8.916  -1.720   9.770
  792    HB2  HIS 100           2HB      HIS 100  -9.968   0.282  10.689
  793    HB3  HIS 100           3HB      HIS 100 -11.440  -0.602  11.069
  794    HD1  HIS 100           HD1      HIS 100  -7.729  -0.467  12.219
  795    HD2  HIS 100           HD2      HIS 100 -11.572  -1.752  13.431
  796    HE1  HIS 100           HE1      HIS 100  -7.507  -1.220  14.676
  797    HE2  HIS 100           HE2      HIS 100  -9.853  -1.998  15.404
  798    H    GLN 101           H        GLN 101 -12.309  -2.792  10.096
  799    HA   GLN 101           HA       GLN 101 -11.503  -5.218  11.549
  800    HB2  GLN 101           2HB      GLN 101 -13.737  -5.651  11.975
  801    HB3  GLN 101           3HB      GLN 101 -13.487  -3.941  12.245
  802    HG2  GLN 101           2HG      GLN 101 -14.901  -5.200   9.849
  803    HG3  GLN 101           3HG      GLN 101 -15.677  -4.467  11.236
  804   HE21  GLN 101          2HE2      GLN 101 -16.291  -3.599   8.613
  805   HE22  GLN 101          1HE2      GLN 101 -15.489  -2.056   8.322
  806    H    LEU 102           H        LEU 102 -12.798  -4.452   8.335
  807    HA   LEU 102           HA       LEU 102 -11.958  -7.094   7.277
  808    HB2  LEU 102           2HB      LEU 102 -14.779  -5.941   7.193
  809    HB3  LEU 102           3HB      LEU 102 -14.224  -7.196   6.092
  810    HG   LEU 102           HG       LEU 102 -14.324  -7.526   9.118
  811   HD11  LEU 102          1HD1      LEU 102 -16.196  -8.554   6.949
  812   HD12  LEU 102          2HD1      LEU 102 -16.282  -8.944   8.682
  813   HD13  LEU 102          3HD1      LEU 102 -16.569  -7.284   8.137
  814   HD21  LEU 102          3HD2      LEU 102 -12.661  -9.025   8.057
  815   HD22  LEU 102          1HD2      LEU 102 -14.072  -9.937   8.595
  816   HD23  LEU 102          2HD2      LEU 102 -13.878  -9.549   6.872
  817    H    ASN 103           H        ASN 103 -10.320  -5.930   6.294
  818    HA   ASN 103           HA       ASN 103 -10.790  -3.873   4.320
  819    HB2  ASN 103           2HB      ASN 103  -8.687  -4.402   5.645
  820    HB3  ASN 103           3HB      ASN 103  -8.414  -5.770   4.583
  821   HD21  ASN 103          2HD2      ASN 103  -6.470  -3.952   4.851
  822   HD22  ASN 103          1HD2      ASN 103  -6.351  -2.962   3.388
  823    H    ARG 104           H        ARG 104 -10.049  -4.299   1.960
  824    HA   ARG 104           HA       ARG 104 -11.492  -6.675   0.813
  825    HB2  ARG 104           2HB      ARG 104 -10.887  -3.887  -0.224
  826    HB3  ARG 104           3HB      ARG 104 -11.369  -5.193  -1.294
  827    HG2  ARG 104           2HG      ARG 104 -13.242  -3.755  -0.702
  828    HG3  ARG 104           3HG      ARG 104 -13.512  -5.435  -0.247
  829    HD2  ARG 104           2HD      ARG 104 -13.272  -4.968   2.079
  830    HD3  ARG 104           3HD      ARG 104 -12.569  -3.364   1.762
  831    HE   ARG 104           HE       ARG 104 -15.084  -3.305   0.584
  832   HH11  ARG 104          1HH1      ARG 104 -14.101  -3.857   3.992
  833   HH12  ARG 104          2HH1      ARG 104 -15.482  -2.895   4.509
  834   HH21  ARG 104          1HH2      ARG 104 -16.852  -2.261   1.556
  835   HH22  ARG 104          2HH2      ARG 104 -16.876  -2.168   3.320
  836    H    GLY 105           H        GLY 105  -8.579  -6.245   1.834
  837    HA2  GLY 105           2HA      GLY 105  -6.335  -6.502   1.201
  838    HA3  GLY 105           3HA      GLY 105  -7.033  -8.038   0.740
  839    H    ILE 106           H        ILE 106  -5.718  -8.522  -0.868
  840    HA   ILE 106           HA       ILE 106  -5.698  -6.856  -3.344
  841    HB   ILE 106           HB       ILE 106  -3.516  -7.085  -2.419
  842   HG12  ILE 106          2HG1      ILE 106  -2.196  -8.124  -4.211
  843   HG13  ILE 106          3HG1      ILE 106  -3.643  -8.865  -4.877
  844   HG21  ILE 106          1HG2      ILE 106  -2.340  -9.071  -1.976
  845   HG22  ILE 106          2HG2      ILE 106  -3.857  -9.172  -1.147
  846   HG23  ILE 106          3HG2      ILE 106  -3.645 -10.096  -2.643
  847   HD11  ILE 106          3HD1      ILE 106  -4.555  -6.553  -5.314
  848   HD12  ILE 106          1HD1      ILE 106  -3.046  -5.875  -4.668
  849   HD13  ILE 106          2HD1      ILE 106  -3.019  -6.865  -6.138
  850    H    LEU 107           H        LEU 107  -5.776  -8.090  -5.368
  851    HA   LEU 107           HA       LEU 107  -8.067  -9.138  -5.979
  852    HB2  LEU 107           2HB      LEU 107  -5.461  -9.095  -7.177
  853    HB3  LEU 107           3HB      LEU 107  -6.167 -10.645  -7.570
  854    HG   LEU 107           HG       LEU 107  -7.600  -7.988  -8.066
  855   HD11  LEU 107          1HD1      LEU 107  -6.881  -8.270 -10.404
  856   HD12  LEU 107          2HD1      LEU 107  -5.489  -8.100  -9.332
  857   HD13  LEU 107          3HD1      LEU 107  -5.937  -9.705  -9.957
  858   HD21  LEU 107          3HD2      LEU 107  -8.065 -10.797  -9.166
  859   HD22  LEU 107          1HD2      LEU 107  -9.089  -9.977  -7.972
  860   HD23  LEU 107          2HD2      LEU 107  -8.966  -9.332  -9.613
  861    HA   PRO 108           HA       PRO 108  -7.387 -13.805  -5.537
  862    HB2  PRO 108           2HB      PRO 108  -5.183 -14.213  -3.572
  863    HB3  PRO 108           3HB      PRO 108  -5.513 -15.064  -5.107
  864    HG2  PRO 108           2HG      PRO 108  -3.530 -13.256  -4.930
  865    HG3  PRO 108           3HG      PRO 108  -4.594 -13.267  -6.379
  866    HD2  PRO 108           2HD      PRO 108  -4.836 -11.517  -3.900
  867    HD3  PRO 108           3HD      PRO 108  -4.805 -11.018  -5.614
  868    H    CYS 109           H        CYS 109  -6.933 -15.558  -3.310
  869    HA   CYS 109           HA       CYS 109  -9.356 -15.854  -2.225
  870    HB2  CYS 109           2HB      CYS 109  -6.547 -16.638  -1.347
  871    HB3  CYS 109           3HB      CYS 109  -7.994 -17.334  -0.650
  872    HG   CYS 109           HG       CYS 109  -9.058 -18.232  -2.865
  873    H    LEU 110           H        LEU 110  -6.653 -14.411  -0.207
  874    HA   LEU 110           HA       LEU 110  -8.658 -14.014   1.944
  875    HB2  LEU 110           2HB      LEU 110  -5.649 -14.017   1.822
  876    HB3  LEU 110           3HB      LEU 110  -6.439 -13.152   3.120
  877    HG   LEU 110           HG       LEU 110  -5.703 -15.387   3.751
  878   HD11  LEU 110          1HD1      LEU 110  -8.745 -15.211   3.794
  879   HD12  LEU 110          2HD1      LEU 110  -7.703 -16.123   4.896
  880   HD13  LEU 110          3HD1      LEU 110  -7.642 -14.357   4.902
  881   HD21  LEU 110          3HD2      LEU 110  -6.065 -16.553   1.584
  882   HD22  LEU 110          1HD2      LEU 110  -6.746 -17.415   2.975
  883   HD23  LEU 110          2HD2      LEU 110  -7.819 -16.519   1.885
  884    H    LEU 111           H        LEU 111  -8.937 -12.031   3.085
  885    HA   LEU 111           HA       LEU 111  -8.449  -9.611   1.406
  886    HB2  LEU 111           2HB      LEU 111 -10.681  -8.861   1.681
  887    HB3  LEU 111           3HB      LEU 111 -10.614 -10.388   0.855
  888    HG   LEU 111           HG       LEU 111 -12.544 -10.016   2.376
  889   HD11  LEU 111          1HD1      LEU 111 -10.953 -12.476   3.180
  890   HD12  LEU 111          2HD1      LEU 111 -12.705 -12.245   3.221
  891   HD13  LEU 111          3HD1      LEU 111 -11.864 -12.296   1.664
  892   HD21  LEU 111          3HD2      LEU 111 -11.210  -8.977   4.271
  893   HD22  LEU 111          1HD2      LEU 111 -12.441 -10.172   4.720
  894   HD23  LEU 111          2HD2      LEU 111 -10.732 -10.630   4.722
  895    H    ARG 112           H        ARG 112  -8.127 -10.689   4.660
  896    HA   ARG 112           HA       ARG 112  -8.081  -7.825   5.535
  897    HB2  ARG 112           2HB      ARG 112  -8.621  -8.389   7.717
  898    HB3  ARG 112           3HB      ARG 112  -9.801  -9.119   6.635
  899    HG2  ARG 112           2HG      ARG 112  -8.466 -11.317   6.903
  900    HG3  ARG 112           3HG      ARG 112  -7.601 -10.502   8.216
  901    HD2  ARG 112           2HD      ARG 112 -10.585 -11.077   8.007
  902    HD3  ARG 112           3HD      ARG 112  -9.460 -11.804   9.143
  903    HE   ARG 112           HE       ARG 112 -10.737  -9.152   9.297
  904   HH11  ARG 112          1HH1      ARG 112  -8.191 -11.105  10.719
  905   HH12  ARG 112          2HH1      ARG 112  -8.104 -10.095  12.135
  906   HH21  ARG 112          1HH2      ARG 112 -10.553  -7.914  11.036
  907   HH22  ARG 112          2HH2      ARG 112  -9.439  -8.317  12.326
  908    H    HIS 113           H        HIS 113  -6.411  -6.957   6.590
  909    HA   HIS 113           HA       HIS 113  -3.805  -8.224   6.025
  910    HB2  HIS 113           2HB      HIS 113  -2.957  -5.907   6.316
  911    HB3  HIS 113           3HB      HIS 113  -4.169  -6.083   5.087
  912    HD2  HIS 113           HD2      HIS 113  -3.308  -4.141   8.175
  913    HE1  HIS 113           HE1      HIS 113  -7.455  -3.318   7.607
  914    HE2  HIS 113           HE2      HIS 113  -5.358  -2.650   8.892
  915    H    CYS 114           H        CYS 114  -2.041  -7.569   7.289
  916    HA   CYS 114           HA       CYS 114  -2.318  -7.840  10.253
  917    HB2  CYS 114           2HB      CYS 114  -0.639  -9.449   8.300
  918    HB3  CYS 114           3HB      CYS 114  -0.590  -9.643  10.057
  919    HG   CYS 114           HG       CYS 114  -3.138 -10.322  10.311
  920    H    CYS 115           H        CYS 115   0.594  -8.127  10.476
  921    HA   CYS 115           HA       CYS 115   1.572  -5.445   9.540
  922    HB2  CYS 115           2HB      CYS 115   2.095  -6.809  12.212
  923    HB3  CYS 115           3HB      CYS 115   2.842  -5.302  11.660
  924    HG   CYS 115           HG       CYS 115   0.580  -3.975  11.330
  925    H    THR 116           H        THR 116   3.308  -5.536   8.268
  926    HA   THR 116           HA       THR 116   4.911  -8.056   8.128
  927    HB   THR 116           HB       THR 116   3.599  -7.230   6.123
  928    HG1  THR 116           1HG      THR 116   5.313  -7.846   4.781
  929   HG21  THR 116          1HG2      THR 116   5.956  -5.333   5.754
  930   HG22  THR 116          2HG2      THR 116   4.566  -5.576   4.682
  931   HG23  THR 116          3HG2      THR 116   4.342  -4.803   6.262
  932    H    ARG 117           H        ARG 117   7.214  -7.714   7.326
  933    HA   ARG 117           HA       ARG 117   8.579  -5.770   9.132
  934    HB2  ARG 117           2HB      ARG 117   9.712  -8.072   7.485
  935    HB3  ARG 117           3HB      ARG 117  10.641  -7.045   8.571
  936    HG2  ARG 117           2HG      ARG 117   8.411  -8.946   9.376
  937    HG3  ARG 117           3HG      ARG 117  10.147  -9.179   9.600
  938    HD2  ARG 117           2HD      ARG 117  10.187  -7.171  11.117
  939    HD3  ARG 117           3HD      ARG 117   8.438  -7.038  10.931
  940    HE   ARG 117           HE       ARG 117   8.085  -8.870  12.292
  941   HH11  ARG 117          1HH1      ARG 117  11.549  -8.678  11.734
  942   HH12  ARG 117          2HH1      ARG 117  11.900  -9.831  12.992
  943   HH21  ARG 117          1HH2      ARG 117   8.611 -10.331  13.870
  944   HH22  ARG 117          2HH2      ARG 117  10.274 -10.741  14.164
  945    H    VAL 118           H        VAL 118  10.300  -4.537   8.455
  946    HA   VAL 118           HA       VAL 118  10.016  -3.448   5.656
  947    HB   VAL 118           HB       VAL 118  10.611  -1.872   8.181
  948   HG11  VAL 118          1HG1      VAL 118  11.556  -0.794   6.173
  949   HG12  VAL 118          2HG1      VAL 118  10.002  -0.972   5.325
  950   HG13  VAL 118          3HG1      VAL 118  10.143   0.098   6.738
  951   HG21  VAL 118          3HG2      VAL 118   8.330  -0.930   7.844
  952   HG22  VAL 118          1HG2      VAL 118   8.047  -2.111   6.545
  953   HG23  VAL 118          2HG2      VAL 118   8.276  -2.643   8.227
  954    H    ALA 119           H        ALA 119  12.380  -4.041   8.291
  955    HA   ALA 119           HA       ALA 119  14.669  -3.264   6.695
  956    HB1  ALA 119           3HB      ALA 119  14.654  -3.136   9.154
  957    HB2  ALA 119           1HB      ALA 119  14.470  -4.905   9.253
  958    HB3  ALA 119           2HB      ALA 119  15.950  -4.197   8.572
  959    H    LEU 120           H        LEU 120  16.339  -4.635   5.937
  960    HA   LEU 120           HA       LEU 120  15.718  -7.469   5.347
  961    HB2  LEU 120           2HB      LEU 120  14.940  -5.892   3.483
  962    HB3  LEU 120           3HB      LEU 120  16.620  -5.485   3.217
  963    HG   LEU 120           HG       LEU 120  15.765  -7.054   1.586
  964   HD11  LEU 120          1HD1      LEU 120  18.165  -7.218   2.220
  965   HD12  LEU 120          2HD1      LEU 120  17.748  -8.564   3.307
  966   HD13  LEU 120          3HD1      LEU 120  17.478  -8.713   1.563
  967   HD21  LEU 120          3HD2      LEU 120  15.385  -9.075   3.818
  968   HD22  LEU 120          1HD2      LEU 120  14.078  -8.178   3.014
  969   HD23  LEU 120          2HD2      LEU 120  15.079  -9.305   2.086
  970    H2   PRO1135           H2       PRO1135  10.201  -5.574 -14.767
  971    H3   PRO1135           H3       PRO1135  11.055  -6.732 -15.592
  972    HA   PRO1135           HA       PRO1135   9.578  -8.458 -14.941
  973    HB2  PRO1135           2HB      PRO1135   8.089  -6.467 -13.202
  974    HB3  PRO1135           3HB      PRO1135   8.192  -8.249 -13.035
  975    HG2  PRO1135           2HG      PRO1135   9.911  -6.304 -11.815
  976    HG3  PRO1135           3HG      PRO1135  10.234  -8.061 -11.901
  977    HD2  PRO1135           2HD      PRO1135  11.800  -6.128 -13.177
  978    HD3  PRO1135           3HD      PRO1135  11.693  -7.845 -13.637
  979    H    GLN1136           H        GLN1136   7.348  -8.912 -15.656
  980    HA   GLN1136           HA       GLN1136   6.602  -7.249 -17.926
  981    HB2  GLN1136           2HB      GLN1136   5.444  -9.815 -16.808
  982    HB3  GLN1136           3HB      GLN1136   4.788  -8.990 -18.217
  983    HG2  GLN1136           2HG      GLN1136   7.662  -9.994 -17.975
  984    HG3  GLN1136           3HG      GLN1136   6.349 -10.884 -18.729
  985   HE21  GLN1136          2HE2      GLN1136   8.548 -10.466 -20.276
  986   HE22  GLN1136          1HE2      GLN1136   8.191  -9.246 -21.494
  987    HA   PRO1137           HA       PRO1137   2.806  -5.901 -15.401
  988    HB2  PRO1137           2HB      PRO1137   2.402  -6.598 -12.812
  989    HB3  PRO1137           3HB      PRO1137   1.910  -7.665 -14.165
  990    HG2  PRO1137           2HG      PRO1137   4.472  -7.804 -12.532
  991    HG3  PRO1137           3HG      PRO1137   3.320  -9.132 -12.892
  992    HD2  PRO1137           2HD      PRO1137   5.567  -8.741 -14.366
  993    HD3  PRO1137           3HD      PRO1137   4.040  -9.284 -15.123
  994    H    GLU1138           H        GLU1138   2.602  -4.023 -13.978
  995    HA   GLU1138           HA       GLU1138   5.074  -3.230 -12.530
  996    HB2  GLU1138           2HB      GLU1138   4.849  -2.376 -15.034
  997    HB3  GLU1138           3HB      GLU1138   3.831  -1.138 -14.280
  998    HG2  GLU1138           2HG      GLU1138   5.631  -0.623 -12.713
  999    HG3  GLU1138           3HG      GLU1138   6.682  -1.819 -13.483
 1000    H    PTR1139           H        PTR1139   1.943  -1.501 -13.216
 1001    HA   PTR1139           HA       PTR1139   1.394  -1.655 -10.339
 1002    HB2  PTR1139           2HB      PTR1139   1.317   0.845 -11.973
 1003    HB3  PTR1139           3HB      PTR1139   0.513   0.687 -10.422
 1004    HD1  PTR1139           1HD      PTR1139   2.164   0.252  -8.228
 1005    HD2  PTR1139           2HD      PTR1139   3.203   2.181 -11.987
 1006    HE1  PTR1139           1HE      PTR1139   3.977   1.438  -7.166
 1007    HE2  PTR1139           2HE      PTR1139   4.810   3.688 -10.671
 1008    H    VAL1140           H        VAL1140  -0.559  -1.558  -9.597
 1009    HA   VAL1140           HA       VAL1140  -2.597  -3.142 -11.156
 1010    HB   VAL1140           HB       VAL1140  -2.085  -2.686  -8.126
 1011   HG11  VAL1140          1HG1      VAL1140  -3.379  -4.779  -7.589
 1012   HG12  VAL1140          2HG1      VAL1140  -4.287  -3.345  -7.957
 1013   HG13  VAL1140          3HG1      VAL1140  -4.108  -4.641  -9.202
 1014   HG21  VAL1140          3HG2      VAL1140  -0.389  -4.140  -9.389
 1015   HG22  VAL1140          1HG2      VAL1140  -1.177  -4.938  -8.036
 1016   HG23  VAL1140          2HG2      VAL1140  -1.705  -5.281  -9.699
 1017    H    ASN1141           H        ASN1141  -2.553  -0.101 -11.041
 1018    HA   ASN1141           HA       ASN1141  -5.554  -0.188 -10.741
 1019    HB2  ASN1141           2HB      ASN1141  -3.872   1.801 -12.208
 1020    HB3  ASN1141           3HB      ASN1141  -5.586   1.836 -12.191
 1021   HD21  ASN1141          1HD2      ASN1141  -3.225   1.300  -9.410
 1022   HD22  ASN1141          2HD2      ASN1141  -3.754   2.770  -8.627
 1023    H    GLN1142           H        GLN1142  -2.762  -1.199 -12.939
 1024    HA   GLN1142           HA       GLN1142  -4.706  -2.745 -14.175
 1025    HB2  GLN1142           2HB      GLN1142  -2.151  -1.364 -15.136
 1026    HB3  GLN1142           3HB      GLN1142  -3.190  -2.149 -16.366
 1027    HG2  GLN1142           2HG      GLN1142  -3.474   0.536 -14.987
 1028    HG3  GLN1142           3HG      GLN1142  -3.291   0.214 -16.689
 1029   HE21  GLN1142          2HE2      GLN1142  -5.296   1.956 -15.500
 1030   HE22  GLN1142          1HE2      GLN1142  -6.849   1.191 -15.746
 1031    HA   PRO1143           HA       PRO1143  -0.491  -4.206 -12.422
 1032    HB2  PRO1143           2HB      PRO1143  -0.421  -6.893 -13.410
 1033    HB3  PRO1143           3HB      PRO1143  -0.666  -6.308 -11.749
 1034    HG2  PRO1143           2HG      PRO1143  -2.753  -6.983 -13.832
 1035    HG3  PRO1143           3HG      PRO1143  -2.726  -7.420 -12.090
 1036    HD2  PRO1143           2HD      PRO1143  -4.229  -5.373 -12.865
 1037    HD3  PRO1143           3HD      PRO1143  -3.192  -5.169 -11.440
 1038    H    ASP1144           H        ASP1144  -0.625  -2.582 -14.180
 1039    HA   ASP1144           HA       ASP1144  -0.331  -1.539 -16.010
 1040    HB2  ASP1144           2HB      ASP1144   1.827  -1.503 -15.048
 1041    HB3  ASP1144           3HB      ASP1144   2.318  -2.980 -15.895
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  42.128  10.254  15.769
    2    H2   GLY   1           H2       GLY   1  43.666   9.692  15.725
    3    H3   GLY   1           H3       GLY   1  42.447   8.707  16.198
    4    HA2  GLY   1           2HA      GLY   1  43.123   8.142  13.962
    5    HA3  GLY   1           3HA      GLY   1  41.453   8.738  14.014
    6    H    SER   2           H        SER   2  43.312   8.731  11.754
    7    HA   SER   2           HA       SER   2  44.394  11.337  11.282
    8    HB2  SER   2           2HB      SER   2  43.626   9.159   9.300
    9    HB3  SER   2           3HB      SER   2  44.667  10.551   8.957
   10    HG   SER   2           HG       SER   2  45.874   8.678   9.488
   11    HA   PRO   3           HA       PRO   3  40.852  13.673  10.221
   12    HB2  PRO   3           2HB      PRO   3  41.799  15.594   8.496
   13    HB3  PRO   3           3HB      PRO   3  42.209  15.522  10.236
   14    HG2  PRO   3           2HG      PRO   3  43.816  14.420   7.905
   15    HG3  PRO   3           3HG      PRO   3  44.386  15.480   9.237
   16    HD2  PRO   3           2HD      PRO   3  44.745  12.811   9.353
   17    HD3  PRO   3           3HD      PRO   3  44.253  13.712  10.816
   18    H    ALA   4           H        ALA   4  42.426  11.997   7.591
   19    HA   ALA   4           HA       ALA   4  40.342  12.467   5.616
   20    HB1  ALA   4           3HB      ALA   4  42.602  10.426   5.717
   21    HB2  ALA   4           1HB      ALA   4  41.638  10.861   4.291
   22    HB3  ALA   4           2HB      ALA   4  42.708  12.065   5.029
   23    H    SER   5           H        SER   5  40.104  10.729   8.437
   24    HA   SER   5           HA       SER   5  39.026   8.209   7.627
   25    HB2  SER   5           2HB      SER   5  38.441   9.788  10.163
   26    HB3  SER   5           3HB      SER   5  38.099   8.071   9.892
   27    HG   SER   5           HG       SER   5  40.585   9.390  10.143
   28    H    GLY   6           H        GLY   6  36.988   7.468   7.220
   29    HA2  GLY   6           2HA      GLY   6  34.909   9.319   6.357
   30    HA3  GLY   6           3HA      GLY   6  34.832   7.562   6.354
   31    H    THR   7           H        THR   7  32.655   9.125   7.034
   32    HA   THR   7           HA       THR   7  32.332   9.099   9.975
   33    HB   THR   7           HB       THR   7  30.036   9.989   9.431
   34    HG1  THR   7           1HG      THR   7  29.929   9.254   7.270
   35   HG21  THR   7          1HG2      THR   7  31.907  11.491  10.021
   36   HG22  THR   7          2HG2      THR   7  32.390  11.573   8.311
   37   HG23  THR   7          3HG2      THR   7  30.823  12.231   8.832
   38    H    SER   8           H        SER   8  31.195   7.650  11.138
   39    HA   SER   8           HA       SER   8  30.136   5.256   9.723
   40    HB2  SER   8           2HB      SER   8  30.996   5.598  12.610
   41    HB3  SER   8           3HB      SER   8  30.516   4.080  11.827
   42    HG   SER   8           HG       SER   8  32.790   4.355  11.879
   43    H    LEU   9           H        LEU   9  28.754   7.958  11.052
   44    HA   LEU   9           HA       LEU   9  26.506   6.672  12.429
   45    HB2  LEU   9           2HB      LEU   9  27.474   8.802  13.216
   46    HB3  LEU   9           3HB      LEU   9  27.063   9.566  11.682
   47    HG   LEU   9           HG       LEU   9  24.637   9.233  12.171
   48   HD11  LEU   9          1HD1      LEU   9  24.728   7.285  13.693
   49   HD12  LEU   9          2HD1      LEU   9  25.636   8.244  14.883
   50   HD13  LEU   9          3HD1      LEU   9  23.952   8.654  14.488
   51   HD21  LEU   9          3HD2      LEU   9  24.493  10.945  13.925
   52   HD22  LEU   9          1HD2      LEU   9  26.193  10.662  14.365
   53   HD23  LEU   9          2HD2      LEU   9  25.779  11.332  12.771
   54    H    SER  10           H        SER  10  24.498   6.271  11.623
   55    HA   SER  10           HA       SER  10  23.973   6.765   8.737
   56    HB2  SER  10           2HB      SER  10  23.707   4.477   9.532
   57    HB3  SER  10           3HB      SER  10  22.508   5.011  10.731
   58    HG   SER  10           HG       SER  10  21.634   4.201   8.707
   59    H    ALA  11           H        ALA  11  22.441   8.084   7.991
   60    HA   ALA  11           HA       ALA  11  20.775   9.669   9.882
   61    HB1  ALA  11           3HB      ALA  11  22.270  10.874   8.334
   62    HB2  ALA  11           1HB      ALA  11  21.453  10.113   6.947
   63    HB3  ALA  11           2HB      ALA  11  20.564  11.229   8.007
   64    H    ALA  12           H        ALA  12  20.396   6.851   8.109
   65    HA   ALA  12           HA       ALA  12  17.732   7.404   7.018
   66    HB1  ALA  12           3HB      ALA  12  19.430   4.878   7.016
   67    HB2  ALA  12           1HB      ALA  12  17.977   5.173   6.039
   68    HB3  ALA  12           2HB      ALA  12  19.437   6.137   5.758
   69    H    ILE  13           H        ILE  13  18.654   6.664  10.107
   70    HA   ILE  13           HA       ILE  13  16.816   4.555  10.788
   71    HB   ILE  13           HB       ILE  13  17.315   5.089  13.115
   72   HG12  ILE  13          2HG1      ILE  13  18.998   7.410  12.058
   73   HG13  ILE  13          3HG1      ILE  13  17.470   7.567  12.927
   74   HG21  ILE  13          1HG2      ILE  13  19.631   4.404  13.054
   75   HG22  ILE  13          2HG2      ILE  13  18.805   3.660  11.685
   76   HG23  ILE  13          3HG2      ILE  13  19.851   5.072  11.423
   77   HD11  ILE  13          3HD1      ILE  13  20.065   6.447  14.051
   78   HD12  ILE  13          1HD1      ILE  13  19.268   7.971  14.468
   79   HD13  ILE  13          2HD1      ILE  13  18.501   6.432  14.905
   80    H    HIS  14           H        HIS  14  14.959   4.618  12.146
   81    HA   HIS  14           HA       HIS  14  13.051   6.675  11.388
   82    HB2  HIS  14           2HB      HIS  14  11.453   5.301  12.610
   83    HB3  HIS  14           3HB      HIS  14  12.419   4.310  11.524
   84    HD2  HIS  14           HD2      HIS  14  11.223   4.447  15.033
   85    HE1  HIS  14           HE1      HIS  14  14.537   1.763  15.187
   86    HE2  HIS  14           HE2      HIS  14  12.520   2.651  16.463
   87    H    ARG  15           H        ARG  15  11.886   8.060  12.737
   88    HA   ARG  15           HA       ARG  15  12.824   8.425  15.525
   89    HB2  ARG  15           2HB      ARG  15  13.022  10.854  15.225
   90    HB3  ARG  15           3HB      ARG  15  13.987  10.059  13.977
   91    HG2  ARG  15           2HG      ARG  15  12.062  10.346  12.359
   92    HG3  ARG  15           3HG      ARG  15  11.171  11.199  13.620
   93    HD2  ARG  15           2HD      ARG  15  12.995  12.893  13.754
   94    HD3  ARG  15           3HD      ARG  15  13.828  12.065  12.421
   95    HE   ARG  15           HE       ARG  15  11.144  12.650  11.626
   96   HH11  ARG  15          1HH1      ARG  15  14.115  14.403  12.240
   97   HH12  ARG  15          2HH1      ARG  15  13.689  15.702  11.158
   98   HH21  ARG  15          1HH2      ARG  15  10.658  14.336  10.248
   99   HH22  ARG  15          2HH2      ARG  15  11.773  15.657  10.061
  100    H    THR  16           H        THR  16  10.441   7.610  14.047
  101    HA   THR  16           HA       THR  16   8.413   8.352  16.017
  102    HB   THR  16           HB       THR  16   6.646   8.951  14.463
  103    HG1  THR  16           1HG      THR  16   7.251   9.392  12.273
  104   HG21  THR  16          1HG2      THR  16   8.969  10.762  13.748
  105   HG22  THR  16          2HG2      THR  16   7.241  11.151  13.784
  106   HG23  THR  16          3HG2      THR  16   8.098  10.831  15.300
  107    H    GLN  17           H        GLN  17   6.256   7.073  15.261
  108    HA   GLN  17           HA       GLN  17   7.019   4.286  14.909
  109    HB2  GLN  17           2HB      GLN  17   4.782   3.766  15.479
  110    HB3  GLN  17           3HB      GLN  17   5.329   5.035  16.554
  111    HG2  GLN  17           2HG      GLN  17   3.450   5.362  14.167
  112    HG3  GLN  17           3HG      GLN  17   2.991   5.371  15.859
  113   HE21  GLN  17          2HE2      GLN  17   2.911   7.498  13.540
  114   HE22  GLN  17          1HE2      GLN  17   3.645   8.898  14.317
  115    H    LEU  18           H        LEU  18   7.245   6.292  12.497
  116    HA   LEU  18           HA       LEU  18   5.235   5.679  10.642
  117    HB2  LEU  18           2HB      LEU  18   6.484   6.729   9.026
  118    HB3  LEU  18           3HB      LEU  18   6.918   7.549  10.506
  119    HG   LEU  18           HG       LEU  18   8.598   5.487   8.992
  120   HD11  LEU  18          1HD1      LEU  18  10.029   7.404   8.444
  121   HD12  LEU  18          2HD1      LEU  18   8.384   7.646   7.845
  122   HD13  LEU  18          3HD1      LEU  18   8.924   8.496   9.311
  123   HD21  LEU  18          3HD2      LEU  18  10.468   6.156  10.446
  124   HD22  LEU  18          1HD2      LEU  18   9.374   7.170  11.414
  125   HD23  LEU  18          2HD2      LEU  18   9.182   5.401  11.389
  126    H    TRP  19           H        TRP  19   5.018   4.373   8.862
  127    HA   TRP  19           HA       TRP  19   6.794   1.995   8.626
  128    HB2  TRP  19           2HB      TRP  19   4.467   1.798   9.946
  129    HB3  TRP  19           3HB      TRP  19   3.838   1.559   8.331
  130    HD1  TRP  19           HD1      TRP  19   4.371  -0.768   7.202
  131    HE1  TRP  19           HE1      TRP  19   5.486  -2.964   8.006
  132    HE3  TRP  19           HE3      TRP  19   6.449   0.905  11.578
  133    HZ2  TRP  19           HZ2      TRP  19   6.953  -3.884  10.280
  134    HZ3  TRP  19           HZ3      TRP  19   7.713  -0.658  13.042
  135    HH2  TRP  19           HH2      TRP  19   7.969  -3.048  12.409
  136    H    PHE  20           H        PHE  20   7.015   4.259   7.022
  137    HA   PHE  20           HA       PHE  20   6.293   3.176   4.369
  138    HB2  PHE  20           2HB      PHE  20   5.489   5.415   3.632
  139    HB3  PHE  20           3HB      PHE  20   4.451   4.577   4.762
  140    HD1  PHE  20           HD2      PHE  20   6.964   7.355   4.515
  141    HD2  PHE  20           HD1      PHE  20   3.759   5.582   6.796
  142    HE1  PHE  20           HE2      PHE  20   6.866   9.376   5.953
  143    HE2  PHE  20           HE1      PHE  20   3.659   7.611   8.227
  144    HZ   PHE  20           HZ       PHE  20   5.215   9.508   7.810
  145    H    HIS  21           H        HIS  21   7.402   3.883   2.635
  146    HA   HIS  21           HA       HIS  21   9.950   5.417   2.881
  147    HB2  HIS  21           2HB      HIS  21   9.543   2.513   1.989
  148    HB3  HIS  21           3HB      HIS  21  10.957   3.468   1.510
  149    HD2  HIS  21           HD2      HIS  21   9.605   1.412   4.389
  150    HE1  HIS  21           HE1      HIS  21  13.278   3.087   5.778
  151    HE2  HIS  21           HE2      HIS  21  11.449   1.397   6.284
  152    H    GLY  22           H        GLY  22  10.495   6.506   0.611
  153    HA2  GLY  22           2HA      GLY  22   8.643   5.593  -1.478
  154    HA3  GLY  22           3HA      GLY  22   8.619   7.266  -1.043
  155    H    ARG  23           H        ARG  23  11.342   5.001  -1.125
  156    HA   ARG  23           HA       ARG  23  12.176   5.937  -3.762
  157    HB2  ARG  23           2HB      ARG  23  13.366   7.549  -2.547
  158    HB3  ARG  23           3HB      ARG  23  13.565   6.523  -1.148
  159    HG2  ARG  23           2HG      ARG  23  15.696   7.134  -2.019
  160    HG3  ARG  23           3HG      ARG  23  15.476   5.407  -2.097
  161    HD2  ARG  23           2HD      ARG  23  14.839   5.802  -4.605
  162    HD3  ARG  23           3HD      ARG  23  15.504   7.416  -4.383
  163    HE   ARG  23           HE       ARG  23  16.943   4.857  -4.468
  164   HH11  ARG  23          1HH1      ARG  23  17.323   8.250  -3.619
  165   HH12  ARG  23          2HH1      ARG  23  19.055   8.177  -3.770
  166   HH21  ARG  23          1HH2      ARG  23  19.148   4.851  -4.639
  167   HH22  ARG  23          2HH2      ARG  23  20.057   6.299  -4.323
  168    H    ILE  24           H        ILE  24  10.984   3.619  -2.935
  169    HA   ILE  24           HA       ILE  24  13.010   1.626  -3.775
  170    HB   ILE  24           HB       ILE  24  12.800   1.538  -1.326
  171   HG12  ILE  24          2HG1      ILE  24  12.277  -0.944  -1.158
  172   HG13  ILE  24          3HG1      ILE  24  11.856  -0.895  -2.872
  173   HG21  ILE  24          1HG2      ILE  24   9.954   0.533  -1.593
  174   HG22  ILE  24          2HG2      ILE  24  10.901   0.796  -0.127
  175   HG23  ILE  24          3HG2      ILE  24  10.386   2.186  -1.092
  176   HD11  ILE  24          3HD1      ILE  24  14.176  -0.143  -3.407
  177   HD12  ILE  24          1HD1      ILE  24  14.565  -0.158  -1.672
  178   HD13  ILE  24          2HD1      ILE  24  14.171  -1.666  -2.515
  179    H    SER  25           H        SER  25  12.191   2.105  -5.820
  180    HA   SER  25           HA       SER  25   9.560   2.083  -6.739
  181    HB2  SER  25           2HB      SER  25  12.013   1.035  -8.187
  182    HB3  SER  25           3HB      SER  25  10.518   1.656  -8.932
  183    HG   SER  25           HG       SER  25  12.527   3.097  -8.500
  184    H    ARG  26           H        ARG  26   8.203   0.544  -7.773
  185    HA   ARG  26           HA       ARG  26   7.697  -1.730  -6.469
  186    HB2  ARG  26           2HB      ARG  26   6.342  -2.484  -8.353
  187    HB3  ARG  26           3HB      ARG  26   6.144  -0.772  -8.080
  188    HG2  ARG  26           2HG      ARG  26   7.702  -2.097 -10.345
  189    HG3  ARG  26           3HG      ARG  26   6.048  -1.493 -10.401
  190    HD2  ARG  26           2HD      ARG  26   6.889   0.782  -9.888
  191    HD3  ARG  26           3HD      ARG  26   8.545   0.203 -10.103
  192    HE   ARG  26           HE       ARG  26   6.961  -0.495 -12.400
  193   HH11  ARG  26          1HH2      ARG  26   7.830   2.582 -10.948
  194   HH12  ARG  26          2HH2      ARG  26   8.174   3.291 -12.500
  195   HH21  ARG  26          2HH1      ARG  26   7.175   0.474 -14.242
  196   HH22  ARG  26          1HH1      ARG  26   7.685   2.153 -14.374
  197    H    GLU  27           H        GLU  27   9.923  -1.675  -9.185
  198    HA   GLU  27           HA       GLU  27  10.306  -4.508  -9.449
  199    HB2  GLU  27           2HB      GLU  27  12.118  -2.215 -10.282
  200    HB3  GLU  27           3HB      GLU  27  12.217  -3.886 -10.855
  201    HG2  GLU  27           2HG      GLU  27   9.896  -3.674 -11.784
  202    HG3  GLU  27           3HG      GLU  27   9.874  -1.978 -11.297
  203    H    GLU  28           H        GLU  28  11.925  -2.092  -7.420
  204    HA   GLU  28           HA       GLU  28  13.957  -4.014  -6.438
  205    HB2  GLU  28           2HB      GLU  28  13.305  -1.128  -5.709
  206    HB3  GLU  28           3HB      GLU  28  14.562  -2.092  -4.930
  207    HG2  GLU  28           2HG      GLU  28  14.505  -1.438  -7.907
  208    HG3  GLU  28           3HG      GLU  28  15.432  -0.564  -6.692
  209    H    SER  29           H        SER  29  11.032  -2.361  -5.234
  210    HA   SER  29           HA       SER  29  11.077  -3.399  -2.573
  211    HB2  SER  29           2HB      SER  29   9.727  -1.458  -3.332
  212    HB3  SER  29           3HB      SER  29   8.724  -2.535  -4.305
  213    HG   SER  29           HG       SER  29   9.013  -2.532  -1.467
  214    H    GLN  30           H        GLN  30   9.652  -4.854  -5.553
  215    HA   GLN  30           HA       GLN  30   8.393  -6.957  -4.081
  216    HB2  GLN  30           2HB      GLN  30   7.912  -7.988  -6.151
  217    HB3  GLN  30           3HB      GLN  30   7.754  -6.244  -6.350
  218    HG2  GLN  30           2HG      GLN  30  10.107  -6.320  -7.379
  219    HG3  GLN  30           3HG      GLN  30   9.942  -8.085  -7.386
  220   HE21  GLN  30          1HE2      GLN  30   6.863  -7.706  -7.986
  221   HE22  GLN  30          2HE2      GLN  30   6.871  -7.167  -9.661
  222    H    ARG  31           H        ARG  31  11.760  -6.580  -4.751
  223    HA   ARG  31           HA       ARG  31  12.410  -9.436  -4.446
  224    HB2  ARG  31           2HB      ARG  31  13.763  -7.811  -5.782
  225    HB3  ARG  31           3HB      ARG  31  14.207  -6.979  -4.284
  226    HG2  ARG  31           2HG      ARG  31  15.361  -8.985  -3.466
  227    HG3  ARG  31           3HG      ARG  31  14.771  -9.923  -4.846
  228    HD2  ARG  31           2HD      ARG  31  17.093  -9.313  -5.189
  229    HD3  ARG  31           3HD      ARG  31  16.084  -8.531  -6.395
  230    HE   ARG  31           HE       ARG  31  17.396  -7.249  -4.020
  231   HH11  ARG  31          1HH1      ARG  31  15.857  -6.724  -7.150
  232   HH12  ARG  31          2HH1      ARG  31  16.301  -5.027  -7.159
  233   HH21  ARG  31          1HH2      ARG  31  17.897  -5.074  -4.148
  234   HH22  ARG  31          2HH2      ARG  31  17.357  -4.139  -5.530
  235    H    LEU  32           H        LEU  32  12.262  -6.583  -2.344
  236    HA   LEU  32           HA       LEU  32  13.247  -7.977   0.038
  237    HB2  LEU  32           2HB      LEU  32  11.977  -5.262  -0.473
  238    HB3  LEU  32           3HB      LEU  32  12.599  -5.755   1.094
  239    HG   LEU  32           HG       LEU  32  14.463  -5.927  -1.293
  240   HD11  LEU  32          1HD1      LEU  32  13.427  -3.767  -1.542
  241   HD12  LEU  32          2HD1      LEU  32  13.749  -3.365   0.169
  242   HD13  LEU  32          3HD1      LEU  32  15.099  -3.582  -0.976
  243   HD21  LEU  32          3HD2      LEU  32  15.190  -6.760   0.928
  244   HD22  LEU  32          1HD2      LEU  32  16.148  -5.370   0.383
  245   HD23  LEU  32          2HD2      LEU  32  14.890  -5.148   1.620
  246    H    ILE  33           H        ILE  33  10.033  -6.735  -1.021
  247    HA   ILE  33           HA       ILE  33   8.690  -7.918   1.303
  248    HB   ILE  33           HB       ILE  33   7.726  -6.354  -1.098
  249   HG12  ILE  33          2HG1      ILE  33   7.052  -4.696   0.586
  250   HG13  ILE  33          3HG1      ILE  33   7.591  -5.741   1.895
  251   HG21  ILE  33          1HG2      ILE  33   6.020  -7.534   1.135
  252   HG22  ILE  33          2HG2      ILE  33   5.479  -6.259   0.023
  253   HG23  ILE  33          3HG2      ILE  33   5.867  -7.851  -0.611
  254   HD11  ILE  33          3HD1      ILE  33   9.452  -4.511  -0.180
  255   HD12  ILE  33          1HD1      ILE  33   9.088  -3.802   1.402
  256   HD13  ILE  33          2HD1      ILE  33   9.913  -5.352   1.330
  257    H    GLY  34           H        GLY  34   9.819  -9.287  -1.580
  258    HA2  GLY  34           2HA      GLY  34   7.648 -11.245  -1.885
  259    HA3  GLY  34           3HA      GLY  34   9.056 -11.040  -2.905
  260    H    GLN  35           H        GLN  35  10.366 -11.293   0.144
  261    HA   GLN  35           HA       GLN  35  10.802 -14.202  -0.229
  262    HB2  GLN  35           2HB      GLN  35  12.594 -14.080   1.298
  263    HB3  GLN  35           3HB      GLN  35  12.741 -12.812   0.100
  264    HG2  GLN  35           2HG      GLN  35  13.426 -11.807   2.088
  265    HG3  GLN  35           3HG      GLN  35  11.801 -11.187   1.850
  266   HE21  GLN  35          2HE2      GLN  35  13.741 -13.604   3.713
  267   HE22  GLN  35          1HE2      GLN  35  12.587 -13.694   5.037
  268    H    GLN  36           H        GLN  36   8.448 -12.395   1.169
  269    HA   GLN  36           HA       GLN  36   7.947 -13.993   3.511
  270    HB2  GLN  36           2HB      GLN  36   6.384 -11.765   2.165
  271    HB3  GLN  36           3HB      GLN  36   5.772 -12.681   3.534
  272    HG2  GLN  36           2HG      GLN  36   6.678 -11.065   4.784
  273    HG3  GLN  36           3HG      GLN  36   8.176 -11.963   4.574
  274   HE21  GLN  36          2HE2      GLN  36   9.805 -11.081   3.255
  275   HE22  GLN  36          1HE2      GLN  36   9.729  -9.444   2.595
  276    H    GLY  37           H        GLY  37   6.097 -15.389   3.781
  277    HA2  GLY  37           2HA      GLY  37   4.758 -16.408   1.293
  278    HA3  GLY  37           3HA      GLY  37   5.561 -17.495   2.427
  279    H    LEU  38           H        LEU  38   3.733 -14.723   3.591
  280    HA   LEU  38           HA       LEU  38   1.892 -16.479   5.106
  281    HB2  LEU  38           2HB      LEU  38   2.425 -13.481   5.095
  282    HB3  LEU  38           3HB      LEU  38   1.245 -14.251   6.132
  283    HG   LEU  38           HG       LEU  38   3.070 -13.766   7.466
  284   HD11  LEU  38          1HD1      LEU  38   3.677 -15.908   8.407
  285   HD12  LEU  38          2HD1      LEU  38   1.988 -15.961   7.873
  286   HD13  LEU  38          3HD1      LEU  38   3.258 -16.749   6.905
  287   HD21  LEU  38          3HD2      LEU  38   5.330 -14.439   7.199
  288   HD22  LEU  38          1HD2      LEU  38   4.968 -15.402   5.763
  289   HD23  LEU  38          2HD2      LEU  38   4.842 -13.618   5.709
  290    H    VAL  39           H        VAL  39  -0.365 -15.043   5.353
  291    HA   VAL  39           HA       VAL  39  -2.002 -15.515   3.032
  292    HB   VAL  39           HB       VAL  39  -3.700 -14.186   4.135
  293   HG11  VAL  39          1HG1      VAL  39  -4.028 -15.579   6.095
  294   HG12  VAL  39          2HG1      VAL  39  -3.391 -16.553   4.760
  295   HG13  VAL  39          3HG1      VAL  39  -2.321 -16.062   6.091
  296   HG21  VAL  39          3HG2      VAL  39  -3.394 -13.189   6.332
  297   HG22  VAL  39          1HG2      VAL  39  -1.674 -13.613   6.340
  298   HG23  VAL  39          2HG2      VAL  39  -2.298 -12.418   5.180
  299    H    ASP  40           H        ASP  40  -3.081 -14.169   1.603
  300    HA   ASP  40           HA       ASP  40  -1.643 -12.645   0.022
  301    HB2  ASP  40           2HB      ASP  40  -4.573 -12.306   0.783
  302    HB3  ASP  40           3HB      ASP  40  -3.860 -11.440  -0.567
  303    H    GLY  41           H        GLY  41  -2.732 -11.653   2.976
  304    HA2  GLY  41           2HA      GLY  41  -2.539  -8.708   2.507
  305    HA3  GLY  41           3HA      GLY  41  -3.548  -9.372   3.645
  306    H    LEU  42           H        LEU  42  -0.053  -9.861   2.833
  307    HA   LEU  42           HA       LEU  42   0.737  -8.442   5.347
  308    HB2  LEU  42           2HB      LEU  42   1.866 -10.874   3.992
  309    HB3  LEU  42           3HB      LEU  42   3.025  -9.744   4.653
  310    HG   LEU  42           HG       LEU  42   2.584 -11.519   6.204
  311   HD11  LEU  42          1HD1      LEU  42   3.164  -9.303   7.104
  312   HD12  LEU  42          2HD1      LEU  42   1.434  -8.941   7.325
  313   HD13  LEU  42          3HD1      LEU  42   2.188 -10.270   8.218
  314   HD21  LEU  42          3HD2      LEU  42   0.484 -11.895   7.308
  315   HD22  LEU  42          1HD2      LEU  42  -0.275 -10.528   6.474
  316   HD23  LEU  42          2HD2      LEU  42   0.207 -11.970   5.555
  317    H    PHE  43           H        PHE  43   0.226  -6.475   4.298
  318    HA   PHE  43           HA       PHE  43   1.902  -5.872   1.961
  319    HB2  PHE  43           2HB      PHE  43   0.215  -4.506   1.244
  320    HB3  PHE  43           3HB      PHE  43  -0.558  -5.782   1.912
  321    HD1  PHE  43           HD1      PHE  43   0.396  -3.490   4.688
  322    HD2  PHE  43           HD2      PHE  43  -2.525  -4.222   1.594
  323    HE1  PHE  43           HE1      PHE  43  -1.111  -1.938   5.766
  324    HE2  PHE  43           HE2      PHE  43  -4.094  -2.725   2.759
  325    HZ   PHE  43           HZ       PHE  43  -3.380  -1.533   4.833
  326    H    LEU  44           H        LEU  44   2.509  -3.539   1.605
  327    HA   LEU  44           HA       LEU  44   3.300  -2.017   4.033
  328    HB2  LEU  44           2HB      LEU  44   5.272  -3.341   3.546
  329    HB3  LEU  44           3HB      LEU  44   5.231  -2.916   1.857
  330    HG   LEU  44           HG       LEU  44   5.800  -0.516   2.470
  331   HD11  LEU  44          1HD1      LEU  44   6.637  -0.118   4.763
  332   HD12  LEU  44          2HD1      LEU  44   4.919  -0.504   4.790
  333   HD13  LEU  44          3HD1      LEU  44   6.101  -1.742   5.251
  334   HD21  LEU  44          3HD2      LEU  44   8.126  -0.996   3.059
  335   HD22  LEU  44          1HD2      LEU  44   7.688  -2.672   3.482
  336   HD23  LEU  44          2HD2      LEU  44   7.529  -2.095   1.806
  337    H    VAL  45           H        VAL  45   3.232   0.257   3.734
  338    HA   VAL  45           HA       VAL  45   2.237   1.224   1.065
  339    HB   VAL  45           HB       VAL  45   2.295   2.816   3.647
  340   HG11  VAL  45          1HG1      VAL  45   0.663   3.087   1.062
  341   HG12  VAL  45          2HG1      VAL  45   0.613   4.177   2.458
  342   HG13  VAL  45          3HG1      VAL  45   2.081   4.071   1.481
  343   HG21  VAL  45          3HG2      VAL  45   0.827   0.851   4.038
  344   HG22  VAL  45          1HG2      VAL  45  -0.078   2.361   3.928
  345   HG23  VAL  45          2HG2      VAL  45  -0.065   1.249   2.551
  346    H    ARG  46           H        ARG  46   3.994   1.304  -0.112
  347    HA   ARG  46           HA       ARG  46   6.043   3.381   0.518
  348    HB2  ARG  46           2HB      ARG  46   7.805   2.013  -0.606
  349    HB3  ARG  46           3HB      ARG  46   7.268   1.276   0.880
  350    HG2  ARG  46           2HG      ARG  46   7.747  -0.369  -0.838
  351    HG3  ARG  46           3HG      ARG  46   6.103  -0.471  -0.264
  352    HD2  ARG  46           2HD      ARG  46   6.362  -0.966  -2.665
  353    HD3  ARG  46           3HD      ARG  46   5.219   0.323  -2.325
  354    HE   ARG  46           HE       ARG  46   7.683   1.568  -2.900
  355   HH11  ARG  46          1HH2      ARG  46   5.704  -0.463  -5.033
  356   HH12  ARG  46          2HH2      ARG  46   6.166   0.637  -6.358
  357   HH21  ARG  46          1HH1      ARG  46   8.188   2.607  -4.626
  358   HH22  ARG  46          2HH1      ARG  46   7.234   2.360  -6.098
  359    H    GLU  47           H        GLU  47   7.147   4.179  -1.301
  360    HA   GLU  47           HA       GLU  47   5.713   3.863  -3.822
  361    HB2  GLU  47           2HB      GLU  47   5.284   6.293  -4.100
  362    HB3  GLU  47           3HB      GLU  47   4.300   5.588  -2.843
  363    HG2  GLU  47           2HG      GLU  47   6.866   7.107  -2.233
  364    HG3  GLU  47           3HG      GLU  47   5.345   7.915  -2.396
  365    HE2  GLU  47           2HE      GLU  47   5.888   7.211   1.114
  366    H    SER  48           H        SER  48   6.981   6.109  -5.045
  367    HA   SER  48           HA       SER  48   9.834   5.648  -4.486
  368    HB2  SER  48           2HB      SER  48   9.018   4.120  -6.339
  369    HB3  SER  48           3HB      SER  48   8.719   5.602  -7.290
  370    HG   SER  48           HG       SER  48  10.975   4.426  -7.230
  371    H    GLN  49           H        GLN  49  11.085   7.168  -5.251
  372    HA   GLN  49           HA       GLN  49  10.021   9.838  -5.829
  373    HB2  GLN  49           2HB      GLN  49  12.154  10.584  -5.072
  374    HB3  GLN  49           3HB      GLN  49  11.643   9.278  -3.984
  375    HG2  GLN  49           2HG      GLN  49  13.973   9.074  -4.400
  376    HG3  GLN  49           3HG      GLN  49  13.145   7.700  -5.117
  377   HE21  GLN  49          1HE2      GLN  49  13.714   7.181  -7.254
  378   HE22  GLN  49          2HE2      GLN  49  14.602   8.279  -8.292
  379    H    ARG  50           H        ARG  50  10.313   7.252  -7.560
  380    HA   ARG  50           HA       ARG  50  11.250   8.259 -10.182
  381    HB2  ARG  50           2HB      ARG  50  11.960   6.021  -9.489
  382    HB3  ARG  50           3HB      ARG  50  10.286   5.530  -9.216
  383    HG2  ARG  50           2HG      ARG  50   9.764   5.669 -11.590
  384    HG3  ARG  50           3HG      ARG  50  11.408   6.274 -11.940
  385    HD2  ARG  50           2HD      ARG  50  12.356   4.170 -11.027
  386    HD3  ARG  50           3HD      ARG  50  10.712   3.593 -10.663
  387    HE   ARG  50           HE       ARG  50  11.064   4.296 -13.470
  388   HH11  ARG  50          1HH1      ARG  50  11.766   1.674 -11.237
  389   HH12  ARG  50          2HH1      ARG  50  11.654   0.458 -12.504
  390   HH21  ARG  50          1HH2      ARG  50  11.050   2.652 -15.028
  391   HH22  ARG  50          2HH2      ARG  50  11.324   1.005 -14.517
  392    H    ASN  51           H        ASN  51   8.167   6.275  -9.412
  393    HA   ASN  51           HA       ASN  51   6.682   7.671 -11.302
  394    HB2  ASN  51           2HB      ASN  51   6.145   5.807  -9.118
  395    HB3  ASN  51           3HB      ASN  51   4.876   7.016  -9.197
  396   HD21  ASN  51          2HD2      ASN  51   6.239   4.265 -10.731
  397   HD22  ASN  51          1HD2      ASN  51   5.177   4.268 -12.145
  398    HA   PRO  52           HA       PRO  52   6.874  11.654  -9.276
  399    HB2  PRO  52           2HB      PRO  52   5.519  13.244 -11.043
  400    HB3  PRO  52           3HB      PRO  52   7.101  12.497 -11.414
  401    HG2  PRO  52           2HG      PRO  52   4.343  11.459 -12.157
  402    HG3  PRO  52           3HG      PRO  52   5.762  11.692 -13.230
  403    HD2  PRO  52           2HD      PRO  52   5.193   9.269 -12.145
  404    HD3  PRO  52           3HD      PRO  52   6.884   9.831 -12.310
  405    H    GLN  53           H        GLN  53   3.911  10.029  -9.710
  406    HA   GLN  53           HA       GLN  53   2.348  11.785  -7.847
  407    HB2  GLN  53           2HB      GLN  53   1.487  10.274 -10.323
  408    HB3  GLN  53           3HB      GLN  53   0.396  11.086  -9.189
  409    HG2  GLN  53           2HG      GLN  53   1.363  13.257  -9.665
  410    HG3  GLN  53           3HG      GLN  53   2.589  12.554 -10.716
  411   HE21  GLN  53          1HE2      GLN  53   0.848  14.622 -11.587
  412   HE22  GLN  53          2HE2      GLN  53  -0.157  13.931 -12.853
  413    H    GLY  54           H        GLY  54   4.151   9.368  -7.129
  414    HA2  GLY  54           2HA      GLY  54   2.107   7.370  -6.707
  415    HA3  GLY  54           3HA      GLY  54   3.779   7.103  -6.482
  416    H    PHE  55           H        PHE  55   1.250   6.621  -5.229
  417    HA   PHE  55           HA       PHE  55   2.030   6.500  -2.382
  418    HB2  PHE  55           2HB      PHE  55  -0.762   7.405  -3.263
  419    HB3  PHE  55           3HB      PHE  55  -0.155   7.268  -1.619
  420    HD1  PHE  55           HD2      PHE  55   1.430   8.999  -0.726
  421    HD2  PHE  55           HD1      PHE  55  -0.258   9.303  -4.687
  422    HE1  PHE  55           HE2      PHE  55   2.160  11.372  -0.864
  423    HE2  PHE  55           HE1      PHE  55   0.509  11.657  -4.837
  424    HZ   PHE  55           HZ       PHE  55   1.708  12.700  -2.917
  425    H    VAL  56           H        VAL  56   2.503   4.270  -3.319
  426    HA   VAL  56           HA       VAL  56   0.229   2.572  -4.026
  427    HB   VAL  56           HB       VAL  56   1.718   1.599  -5.466
  428   HG11  VAL  56          1HG1      VAL  56   3.080   3.656  -5.689
  429   HG12  VAL  56          2HG1      VAL  56   3.853   3.338  -4.155
  430   HG13  VAL  56          3HG1      VAL  56   4.207   2.326  -5.514
  431   HG21  VAL  56          3HG2      VAL  56   3.734   0.396  -4.739
  432   HG22  VAL  56          1HG2      VAL  56   3.426   0.915  -3.094
  433   HG23  VAL  56          2HG2      VAL  56   2.279  -0.128  -3.959
  434    H    LEU  57           H        LEU  57  -0.134   0.592  -3.288
  435    HA   LEU  57           HA       LEU  57   0.768  -0.050  -0.539
  436    HB2  LEU  57           2HB      LEU  57  -1.910   0.123  -1.702
  437    HB3  LEU  57           3HB      LEU  57  -1.575  -1.555  -1.299
  438    HG   LEU  57           HG       LEU  57  -1.397   0.827   0.597
  439   HD11  LEU  57          1HD1      LEU  57  -3.329  -1.530   0.462
  440   HD12  LEU  57          2HD1      LEU  57  -3.330  -0.240   1.687
  441   HD13  LEU  57          3HD1      LEU  57  -3.698   0.146  -0.004
  442   HD21  LEU  57          3HD2      LEU  57  -1.164  -1.022   2.338
  443   HD22  LEU  57          1HD2      LEU  57  -0.825  -2.135   0.988
  444   HD23  LEU  57          2HD2      LEU  57   0.259  -0.781   1.348
  445    H    SER  58           H        SER  58   1.758  -2.128  -0.347
  446    HA   SER  58           HA       SER  58   2.332  -3.475  -2.977
  447    HB2  SER  58           2HB      SER  58   4.599  -3.938  -2.182
  448    HB3  SER  58           3HB      SER  58   4.270  -2.209  -2.407
  449    HG   SER  58           HG       SER  58   3.868  -2.138  -0.095
  450    H    LEU  59           H        LEU  59   1.368  -5.369  -2.933
  451    HA   LEU  59           HA       LEU  59   0.462  -6.412  -0.300
  452    HB2  LEU  59           2HB      LEU  59  -0.463  -7.326  -3.028
  453    HB3  LEU  59           3HB      LEU  59  -1.310  -7.428  -1.488
  454    HG   LEU  59           HG       LEU  59  -0.840  -4.920  -3.183
  455   HD11  LEU  59          1HD1      LEU  59  -3.382  -6.361  -2.375
  456   HD12  LEU  59          2HD1      LEU  59  -3.266  -4.928  -3.407
  457   HD13  LEU  59          3HD1      LEU  59  -2.583  -6.461  -3.975
  458   HD21  LEU  59          3HD2      LEU  59  -0.813  -4.230  -0.808
  459   HD22  LEU  59          1HD2      LEU  59  -2.314  -3.737  -1.596
  460   HD23  LEU  59          2HD2      LEU  59  -2.315  -5.148  -0.533
  461    H    CYS  60           H        CYS  60   0.347  -8.764   0.004
  462    HA   CYS  60           HA       CYS  60   2.798 -10.127  -1.074
  463    HB2  CYS  60           2HB      CYS  60   3.466  -9.436   1.162
  464    HB3  CYS  60           3HB      CYS  60   1.987 -10.158   1.838
  465    HG   CYS  60           HG       CYS  60   2.464 -12.558   0.990
  466    H    HIS  61           H        HIS  61   1.016 -10.524  -2.519
  467    HA   HIS  61           HA       HIS  61  -1.300 -11.871  -1.650
  468    HB2  HIS  61           2HB      HIS  61  -1.772 -10.555  -3.332
  469    HB3  HIS  61           3HB      HIS  61  -0.188 -10.689  -3.973
  470    HD2  HIS  61           HD2      HIS  61  -3.654 -12.187  -4.489
  471    HE1  HIS  61           HE1      HIS  61  -1.201 -13.659  -7.638
  472    HE2  HIS  61           HE2      HIS  61  -3.583 -13.494  -6.759
  473    H    LEU  62           H        LEU  62  -1.705 -13.775  -3.526
  474    HA   LEU  62           HA       LEU  62   0.121 -16.013  -2.639
  475    HB2  LEU  62           2HB      LEU  62  -1.605 -17.368  -2.033
  476    HB3  LEU  62           3HB      LEU  62  -2.459 -15.858  -1.812
  477    HG   LEU  62           HG       LEU  62  -2.653 -17.814  -4.141
  478   HD11  LEU  62          1HD1      LEU  62  -4.989 -17.985  -3.468
  479   HD12  LEU  62          2HD1      LEU  62  -3.921 -18.356  -2.103
  480   HD13  LEU  62          3HD1      LEU  62  -4.732 -16.776  -2.191
  481   HD21  LEU  62          3HD2      LEU  62  -2.775 -15.570  -5.135
  482   HD22  LEU  62          1HD2      LEU  62  -4.346 -16.376  -5.171
  483   HD23  LEU  62          2HD2      LEU  62  -4.032 -15.115  -3.964
  484    H    GLN  63           H        GLN  63   0.251 -14.515  -5.093
  485    HA   GLN  63           HA       GLN  63   1.647 -16.854  -5.770
  486    HB2  GLN  63           2HB      GLN  63   0.036 -15.462  -8.031
  487    HB3  GLN  63           3HB      GLN  63   1.151 -16.790  -8.308
  488    HG2  GLN  63           2HG      GLN  63  -0.330 -18.306  -7.009
  489    HG3  GLN  63           3HG      GLN  63  -1.480 -16.975  -6.787
  490   HE21  GLN  63          2HE2      GLN  63  -0.005 -19.148  -9.236
  491   HE22  GLN  63          1HE2      GLN  63  -1.255 -18.854 -10.436
  492    H    LYS  64           H        LYS  64   1.391 -13.467  -5.991
  493    HA   LYS  64           HA       LYS  64   4.288 -13.387  -6.171
  494    HB2  LYS  64           2HB      LYS  64   4.310 -11.650  -7.982
  495    HB3  LYS  64           3HB      LYS  64   3.710 -13.193  -8.540
  496    HG2  LYS  64           2HG      LYS  64   1.541 -11.401  -7.546
  497    HG3  LYS  64           3HG      LYS  64   2.468 -10.687  -8.857
  498    HD2  LYS  64           2HD      LYS  64   1.203 -13.459  -9.005
  499    HD3  LYS  64           3HD      LYS  64   0.443 -11.976  -9.602
  500    HE2  LYS  64           2HE      LYS  64   2.331 -11.603 -11.165
  501    HE3  LYS  64           3HE      LYS  64   3.134 -13.061 -10.573
  502    HZ1  LYS  64           3HZ      LYS  64   1.911 -13.504 -12.618
  503    HZ2  LYS  64           1HZ      LYS  64   1.248 -14.370 -11.409
  504    HZ3  LYS  64           2HZ      LYS  64   0.499 -13.021 -11.964
  505    H    VAL  65           H        VAL  65   4.926 -10.857  -6.068
  506    HA   VAL  65           HA       VAL  65   3.067  -9.496  -4.163
  507    HB   VAL  65           HB       VAL  65   4.765  -8.581  -2.871
  508   HG11  VAL  65          1HG1      VAL  65   5.523 -10.494  -1.720
  509   HG12  VAL  65          2HG1      VAL  65   4.051 -11.040  -2.534
  510   HG13  VAL  65          3HG1      VAL  65   5.626 -11.471  -3.205
  511   HG21  VAL  65          3HG2      VAL  65   6.836  -9.850  -4.684
  512   HG22  VAL  65          1HG2      VAL  65   6.500  -8.113  -4.431
  513   HG23  VAL  65          2HG2      VAL  65   7.151  -9.076  -3.110
  514    H    LYS  66           H        LYS  66   2.198  -7.797  -4.941
  515    HA   LYS  66           HA       LYS  66   3.457  -6.278  -7.171
  516    HB2  LYS  66           2HB      LYS  66   1.168  -6.244  -8.293
  517    HB3  LYS  66           3HB      LYS  66   2.150  -7.699  -8.395
  518    HG2  LYS  66           2HG      LYS  66   0.788  -8.772  -6.605
  519    HG3  LYS  66           3HG      LYS  66  -0.246  -7.329  -6.549
  520    HD2  LYS  66           2HD      LYS  66  -0.958  -7.708  -8.848
  521    HD3  LYS  66           3HD      LYS  66   0.255  -8.985  -9.073
  522    HE2  LYS  66           2HE      LYS  66  -0.846 -10.409  -7.394
  523    HE3  LYS  66           3HE      LYS  66  -2.017  -9.134  -7.042
  524    HZ1  LYS  66           3HZ      LYS  66  -1.750 -10.504  -9.691
  525    HZ2  LYS  66           1HZ      LYS  66  -2.937 -10.791  -8.603
  526    HZ3  LYS  66           2HZ      LYS  66  -2.841  -9.338  -9.355
  527    H    HIS  67           H        HIS  67   2.454  -4.256  -7.664
  528    HA   HIS  67           HA       HIS  67   1.996  -2.795  -5.115
  529    HB2  HIS  67           2HB      HIS  67   3.268  -1.980  -7.739
  530    HB3  HIS  67           3HB      HIS  67   3.070  -0.929  -6.340
  531    HD2  HIS  67           HD2      HIS  67   4.942  -4.142  -7.437
  532    HE1  HIS  67           HE1      HIS  67   6.522  -3.095  -3.633
  533    HE2  HIS  67           HE2      HIS  67   6.782  -4.647  -5.637
  534    H    TYR  68           H        TYR  68   0.726  -0.821  -5.151
  535    HA   TYR  68           HA       TYR  68  -1.693  -1.028  -6.922
  536    HB2  TYR  68           2HB      TYR  68  -1.485  -1.969  -4.469
  537    HB3  TYR  68           3HB      TYR  68  -1.695  -0.315  -3.985
  538    HD1  TYR  68           HD2      TYR  68  -3.955   0.746  -4.235
  539    HD2  TYR  68           HD1      TYR  68  -3.165  -3.376  -5.218
  540    HE1  TYR  68           HE2      TYR  68  -6.356   0.200  -3.881
  541    HE2  TYR  68           HE1      TYR  68  -5.550  -3.938  -4.799
  542    HH   TYR  68           HH       TYR  68  -7.497  -3.180  -3.948
  543    H    LEU  69           H        LEU  69   0.126   1.000  -7.789
  544    HA   LEU  69           HA       LEU  69  -1.364   3.505  -7.077
  545    HB2  LEU  69           2HB      LEU  69   0.432   3.606  -5.786
  546    HB3  LEU  69           3HB      LEU  69   1.534   3.057  -7.062
  547    HG   LEU  69           HG       LEU  69   1.733   5.342  -6.341
  548   HD11  LEU  69          1HD1      LEU  69   2.322   4.401  -8.686
  549   HD12  LEU  69          2HD1      LEU  69   1.107   5.575  -9.241
  550   HD13  LEU  69          3HD1      LEU  69   2.511   6.115  -8.350
  551   HD21  LEU  69          3HD2      LEU  69  -0.630   5.885  -5.939
  552   HD22  LEU  69          1HD2      LEU  69   0.080   7.074  -7.039
  553   HD23  LEU  69          2HD2      LEU  69  -0.971   5.844  -7.663
  554    H    ILE  70           H        ILE  70  -1.957   4.530  -9.095
  555    HA   ILE  70           HA       ILE  70   0.169   4.609 -11.188
  556    HB   ILE  70           HB       ILE  70  -2.714   4.079 -11.948
  557   HG12  ILE  70          2HG1      ILE  70  -0.202   2.326 -12.018
  558   HG13  ILE  70          3HG1      ILE  70  -1.595   2.103 -10.938
  559   HG21  ILE  70          1HG2      ILE  70  -1.491   5.496 -13.594
  560   HG22  ILE  70          2HG2      ILE  70  -0.192   4.289 -13.644
  561   HG23  ILE  70          3HG2      ILE  70  -1.821   3.901 -14.234
  562   HD11  ILE  70          3HD1      ILE  70  -3.002   1.786 -12.957
  563   HD12  ILE  70          1HD1      ILE  70  -1.488   1.639 -13.875
  564   HD13  ILE  70          2HD1      ILE  70  -1.826   0.544 -12.495
  565    H    LEU  71           H        LEU  71  -2.863   6.127  -9.954
  566    HA   LEU  71           HA       LEU  71  -1.708   8.731 -10.801
  567    HB2  LEU  71           2HB      LEU  71  -4.408   8.992 -11.519
  568    HB3  LEU  71           3HB      LEU  71  -3.038   8.782 -12.592
  569    HG   LEU  71           HG       LEU  71  -3.472   6.260 -12.533
  570   HD11  LEU  71          1HD1      LEU  71  -4.929   6.241 -10.470
  571   HD12  LEU  71          2HD1      LEU  71  -6.150   7.131 -11.404
  572   HD13  LEU  71          3HD1      LEU  71  -5.680   5.487 -11.880
  573   HD21  LEU  71          3HD2      LEU  71  -4.122   7.639 -14.437
  574   HD22  LEU  71          1HD2      LEU  71  -5.179   6.251 -14.156
  575   HD23  LEU  71          2HD2      LEU  71  -5.719   7.895 -13.692
  576    HA   PRO  72           HA       PRO  72  -3.159  10.370  -7.056
  577    HB2  PRO  72           2HB      PRO  72  -3.002  13.027  -7.489
  578    HB3  PRO  72           3HB      PRO  72  -1.570  11.981  -7.720
  579    HG2  PRO  72           2HG      PRO  72  -3.517  12.958  -9.846
  580    HG3  PRO  72           3HG      PRO  72  -1.729  13.084  -9.849
  581    HD2  PRO  72           2HD      PRO  72  -3.094  11.036 -11.084
  582    HD3  PRO  72           3HD      PRO  72  -1.478  10.815 -10.359
  583    H    SER  73           H        SER  73  -4.745  12.280  -6.219
  584    HA   SER  73           HA       SER  73  -7.366  11.440  -6.563
  585    HB2  SER  73           2HB      SER  73  -6.455  14.213  -5.714
  586    HB3  SER  73           3HB      SER  73  -8.024  13.464  -5.351
  587    HG   SER  73           HG       SER  73  -6.468  13.279  -3.636
  588    H    GLU  74           H        GLU  74  -9.202  12.115  -7.637
  589    HA   GLU  74           HA       GLU  74  -8.812  13.907 -10.020
  590    HB2  GLU  74           2HB      GLU  74 -10.367  11.295  -9.894
  591    HB3  GLU  74           3HB      GLU  74 -10.179  12.323 -11.309
  592    HG2  GLU  74           2HG      GLU  74  -7.961  10.766  -9.933
  593    HG3  GLU  74           3HG      GLU  74  -8.729  10.364 -11.453
  594    HE2  GLU  74           2HE      GLU  74  -6.036  11.370 -10.385
  595    H    GLU  75           H        GLU  75 -11.286  14.114 -11.038
  596    HA   GLU  75           HA       GLU  75 -12.796  15.571  -8.989
  597    HB2  GLU  75           2HB      GLU  75 -11.973  16.552 -11.111
  598    HB3  GLU  75           3HB      GLU  75 -12.950  15.398 -12.032
  599    HG2  GLU  75           2HG      GLU  75 -14.986  16.348 -11.170
  600    HG3  GLU  75           3HG      GLU  75 -14.085  17.364 -10.027
  601    H    GLU  76           H        GLU  76 -13.008  12.512 -10.577
  602    HA   GLU  76           HA       GLU  76 -15.919  12.203 -10.047
  603    HB2  GLU  76           2HB      GLU  76 -15.769  10.197 -11.403
  604    HB3  GLU  76           3HB      GLU  76 -15.125  11.592 -12.269
  605    HG2  GLU  76           2HG      GLU  76 -12.829  10.863 -11.877
  606    HG3  GLU  76           3HG      GLU  76 -13.372   9.604 -10.770
  607    H    GLY  77           H        GLY  77 -13.369  11.992  -8.105
  608    HA2  GLY  77           2HA      GLY  77 -14.480  10.089  -6.240
  609    HA3  GLY  77           3HA      GLY  77 -13.091   9.407  -7.086
  610    H    ARG  78           H        ARG  78 -12.081   9.282  -5.011
  611    HA   ARG  78           HA       ARG  78 -10.904  11.870  -3.990
  612    HB2  ARG  78           2HB      ARG  78 -11.155   9.219  -2.560
  613    HB3  ARG  78           3HB      ARG  78 -10.510  10.701  -1.887
  614    HG2  ARG  78           2HG      ARG  78 -13.408  10.285  -2.778
  615    HG3  ARG  78           3HG      ARG  78 -12.841  10.172  -1.128
  616    HD2  ARG  78           2HD      ARG  78 -12.727  12.672  -2.866
  617    HD3  ARG  78           3HD      ARG  78 -13.892  12.348  -1.573
  618    HE   ARG  78           HE       ARG  78 -11.333  12.088  -0.417
  619   HH11  ARG  78          2HH2      ARG  78 -13.227  14.681  -1.814
  620   HH12  ARG  78          1HH2      ARG  78 -12.444  15.911  -0.859
  621   HH21  ARG  78          1HH1      ARG  78 -10.351  13.712   0.775
  622   HH22  ARG  78          2HH1      ARG  78 -10.857  15.363   0.575
  623    H    LEU  79           H        LEU  79  -8.866   9.761  -2.696
  624    HA   LEU  79           HA       LEU  79  -6.813  10.152  -4.695
  625    HB2  LEU  79           2HB      LEU  79  -6.703   9.560  -2.075
  626    HB3  LEU  79           3HB      LEU  79  -6.564   7.918  -2.713
  627    HG   LEU  79           HG       LEU  79  -4.762  10.297  -3.391
  628   HD11  LEU  79          1HD1      LEU  79  -4.200   7.810  -1.737
  629   HD12  LEU  79          2HD1      LEU  79  -3.053   9.120  -2.093
  630   HD13  LEU  79          3HD1      LEU  79  -4.477   9.442  -1.092
  631   HD21  LEU  79          3HD2      LEU  79  -4.569   7.388  -4.273
  632   HD22  LEU  79          1HD2      LEU  79  -4.707   8.829  -5.310
  633   HD23  LEU  79          2HD2      LEU  79  -3.238   8.556  -4.389
  634    H    TYR  80           H        TYR  80  -6.538   8.979  -6.616
  635    HA   TYR  80           HA       TYR  80  -8.534   7.005  -7.139
  636    HB2  TYR  80           2HB      TYR  80  -7.455   8.856  -8.653
  637    HB3  TYR  80           3HB      TYR  80  -6.413   7.537  -9.138
  638    HD1  TYR  80           HD2      TYR  80  -7.576   5.393 -10.120
  639    HD2  TYR  80           HD1      TYR  80  -9.711   9.047  -9.262
  640    HE1  TYR  80           HE2      TYR  80  -9.420   4.682 -11.637
  641    HE2  TYR  80           HE1      TYR  80 -11.508   8.360 -10.822
  642    HH   TYR  80           HH       TYR  80 -12.217   6.841 -12.344
  643    H    PHE  81           H        PHE  81  -8.537   4.951  -7.382
  644    HA   PHE  81           HA       PHE  81  -6.270   3.372  -7.865
  645    HB2  PHE  81           2HB      PHE  81  -7.746   2.409  -5.438
  646    HB3  PHE  81           3HB      PHE  81  -6.273   1.788  -6.104
  647    HD1  PHE  81           HD1      PHE  81  -7.783   4.461  -3.989
  648    HD2  PHE  81           HD2      PHE  81  -4.126   2.778  -5.503
  649    HE1  PHE  81           HE1      PHE  81  -6.516   5.592  -2.186
  650    HE2  PHE  81           HE2      PHE  81  -2.855   3.878  -3.657
  651    HZ   PHE  81           HZ       PHE  81  -4.053   5.301  -2.019
  652    H    SER  82           H        SER  82  -6.599   1.083  -8.038
  653    HA   SER  82           HA       SER  82  -9.269   0.174  -8.563
  654    HB2  SER  82           2HB      SER  82  -7.588  -0.013 -11.052
  655    HB3  SER  82           3HB      SER  82  -9.285  -0.297 -10.825
  656    HG   SER  82           HG       SER  82  -9.359   2.056 -10.262
  657    H    MET  83           H        MET  83  -7.373  -1.988 -10.051
  658    HA   MET  83           HA       MET  83  -6.675  -3.692  -8.477
  659    HB2  MET  83           2HB      MET  83  -9.224  -3.403  -7.501
  660    HB3  MET  83           3HB      MET  83  -9.412  -4.785  -8.586
  661    HG2  MET  83           2HG      MET  83  -7.413  -5.835  -7.428
  662    HG3  MET  83           3HG      MET  83  -7.481  -4.516  -6.258
  663    HE1  MET  83           3HE      MET  83 -10.545  -4.022  -5.647
  664    HE2  MET  83           1HE      MET  83 -10.843  -5.207  -4.360
  665    HE3  MET  83           2HE      MET  83  -9.329  -4.283  -4.370
  666    H    ASP  84           H        ASP  84  -7.051  -6.144  -9.507
  667    HA   ASP  84           HA       ASP  84  -6.815  -5.861 -12.372
  668    HB2  ASP  84           2HB      ASP  84  -5.772  -7.682 -11.075
  669    HB3  ASP  84           3HB      ASP  84  -7.370  -8.327 -10.708
  670    H    ASP  85           H        ASP  85  -9.579  -6.564 -10.214
  671    HA   ASP  85           HA       ASP  85 -11.413  -5.907 -12.457
  672    HB2  ASP  85           2HB      ASP  85 -11.205  -8.400 -12.224
  673    HB3  ASP  85           3HB      ASP  85 -11.837  -8.266 -10.586
  674    H    GLY  86           H        GLY  86 -10.629  -4.053 -10.561
  675    HA2  GLY  86           2HA      GLY  86 -13.094  -3.590  -8.945
  676    HA3  GLY  86           3HA      GLY  86 -11.560  -3.633  -8.103
  677    H    GLN  87           H        GLN  87 -12.814  -1.520  -7.613
  678    HA   GLN  87           HA       GLN  87 -11.691   0.778  -9.172
  679    HB2  GLN  87           2HB      GLN  87 -13.916   1.867  -9.043
  680    HB3  GLN  87           3HB      GLN  87 -13.928   0.420 -10.038
  681    HG2  GLN  87           2HG      GLN  87 -15.416  -0.669  -8.706
  682    HG3  GLN  87           3HG      GLN  87 -14.615  -0.192  -7.215
  683   HE21  GLN  87          1HE2      GLN  87 -14.940   2.145  -6.524
  684   HE22  GLN  87          2HE2      GLN  87 -16.585   2.772  -6.722
  685    H    THR  88           H        THR  88 -10.261   0.320  -7.015
  686    HA   THR  88           HA       THR  88 -11.562   1.360  -4.705
  687    HB   THR  88           HB       THR  88  -9.396   0.618  -3.496
  688    HG1  THR  88           1HG      THR  88  -8.243  -0.829  -4.886
  689   HG21  THR  88          1HG2      THR  88 -11.510  -0.715  -3.594
  690   HG22  THR  88          2HG2      THR  88 -11.056  -1.352  -5.177
  691   HG23  THR  88          3HG2      THR  88 -10.087  -1.758  -3.734
  692    H    ARG  89           H        ARG  89 -10.150   3.148  -6.654
  693    HA   ARG  89           HA       ARG  89  -9.324   5.428  -5.752
  694    HB2  ARG  89           2HB      ARG  89 -10.787   6.642  -7.392
  695    HB3  ARG  89           3HB      ARG  89 -10.257   5.096  -8.030
  696    HG2  ARG  89           2HG      ARG  89 -12.483   4.102  -7.307
  697    HG3  ARG  89           3HG      ARG  89 -13.015   5.733  -6.896
  698    HD2  ARG  89           2HD      ARG  89 -12.676   6.433  -9.237
  699    HD3  ARG  89           3HD      ARG  89 -12.057   4.809  -9.628
  700    HE   ARG  89           HE       ARG  89 -14.752   4.905  -8.439
  701   HH11  ARG  89          1HH1      ARG  89 -13.068   4.930 -11.528
  702   HH12  ARG  89          2HH1      ARG  89 -14.428   4.240 -12.364
  703   HH21  ARG  89          1HH2      ARG  89 -16.456   4.058  -9.597
  704   HH22  ARG  89          2HH2      ARG  89 -16.298   3.793 -11.303
  705    H    PHE  90           H        PHE  90 -10.201   4.871  -3.299
  706    HA   PHE  90           HA       PHE  90 -11.774   7.290  -2.604
  707    HB2  PHE  90           2HB      PHE  90 -13.085   5.148  -2.500
  708    HB3  PHE  90           3HB      PHE  90 -12.014   4.621  -1.207
  709    HD1  PHE  90           HD2      PHE  90 -14.164   7.566  -2.209
  710    HD2  PHE  90           HD1      PHE  90 -12.742   5.061   0.999
  711    HE1  PHE  90           HE2      PHE  90 -15.643   8.769  -0.616
  712    HE2  PHE  90           HE1      PHE  90 -14.265   6.231   2.580
  713    HZ   PHE  90           HZ       PHE  90 -15.701   8.095   1.778
  714    H    THR  91           H        THR  91 -11.401   8.098  -0.362
  715    HA   THR  91           HA       THR  91  -8.663   8.635   0.051
  716    HB   THR  91           HB       THR  91 -10.780   8.910   2.200
  717    HG1  THR  91           1HG      THR  91 -11.667  10.501   1.225
  718   HG21  THR  91          1HG2      THR  91  -8.471  10.716   1.351
  719   HG22  THR  91          2HG2      THR  91  -9.633  11.062   2.651
  720   HG23  THR  91          3HG2      THR  91  -8.509   9.707   2.816
  721    H    ASP  92           H        ASP  92  -7.063   7.803   1.422
  722    HA   ASP  92           HA       ASP  92  -7.364   5.117   2.356
  723    HB2  ASP  92           2HB      ASP  92  -5.200   7.225   2.652
  724    HB3  ASP  92           3HB      ASP  92  -5.067   5.660   3.447
  725    H    LEU  93           H        LEU  93  -7.632   8.186   4.139
  726    HA   LEU  93           HA       LEU  93  -7.159   7.157   6.700
  727    HB2  LEU  93           2HB      LEU  93  -7.200   9.546   6.131
  728    HB3  LEU  93           3HB      LEU  93  -8.940   9.475   5.843
  729    HG   LEU  93           HG       LEU  93  -9.337   8.982   8.240
  730   HD11  LEU  93          1HD1      LEU  93  -7.481   9.258   9.874
  731   HD12  LEU  93          2HD1      LEU  93  -7.254   7.834   8.862
  732   HD13  LEU  93          3HD1      LEU  93  -6.316   9.310   8.532
  733   HD21  LEU  93          3HD2      LEU  93  -9.300  11.311   7.440
  734   HD22  LEU  93          1HD2      LEU  93  -8.722  11.190   9.108
  735   HD23  LEU  93          2HD2      LEU  93  -7.559  11.409   7.781
  736    H    LEU  94           H        LEU  94 -10.271   7.307   4.943
  737    HA   LEU  94           HA       LEU  94 -11.816   6.188   7.147
  738    HB2  LEU  94           2HB      LEU  94 -12.384   6.511   4.174
  739    HB3  LEU  94           3HB      LEU  94 -13.566   5.894   5.332
  740    HG   LEU  94           HG       LEU  94 -12.260   8.650   5.543
  741   HD11  LEU  94          1HD1      LEU  94 -13.656   8.526   3.546
  742   HD12  LEU  94          2HD1      LEU  94 -15.009   7.868   4.502
  743   HD13  LEU  94          3HD1      LEU  94 -14.432   9.527   4.778
  744   HD21  LEU  94          3HD2      LEU  94 -14.635   7.413   7.007
  745   HD22  LEU  94          1HD2      LEU  94 -13.069   7.862   7.725
  746   HD23  LEU  94          2HD2      LEU  94 -14.140   9.116   7.108
  747    H    GLN  95           H        GLN  95 -10.238   4.668   4.221
  748    HA   GLN  95           HA       GLN  95 -11.042   2.073   4.766
  749    HB2  GLN  95           2HB      GLN  95  -8.554   3.272   3.446
  750    HB3  GLN  95           3HB      GLN  95  -9.082   1.625   3.337
  751    HG2  GLN  95           2HG      GLN  95 -10.486   4.020   2.161
  752    HG3  GLN  95           3HG      GLN  95  -9.699   2.714   1.295
  753   HE21  GLN  95          2HE2      GLN  95 -12.617   3.733   2.992
  754   HE22  GLN  95          1HE2      GLN  95 -13.499   2.246   2.741
  755    H    LEU  96           H        LEU  96  -8.378   3.992   6.152
  756    HA   LEU  96           HA       LEU  96  -7.191   1.760   7.570
  757    HB2  LEU  96           2HB      LEU  96  -5.989   3.757   6.798
  758    HB3  LEU  96           3HB      LEU  96  -6.898   4.786   7.892
  759    HG   LEU  96           HG       LEU  96  -5.182   2.493   8.932
  760   HD11  LEU  96          1HD1      LEU  96  -3.762   3.903   7.492
  761   HD12  LEU  96          2HD1      LEU  96  -4.311   5.358   8.353
  762   HD13  LEU  96          3HD1      LEU  96  -3.345   4.124   9.195
  763   HD21  LEU  96          3HD2      LEU  96  -6.617   3.523  10.656
  764   HD22  LEU  96          1HD2      LEU  96  -4.954   4.013  10.918
  765   HD23  LEU  96          2HD2      LEU  96  -6.091   5.145  10.159
  766    H    VAL  97           H        VAL  97  -9.426   4.402   8.589
  767    HA   VAL  97           HA       VAL  97  -9.494   3.466  11.325
  768    HB   VAL  97           HB       VAL  97 -11.220   5.456   9.824
  769   HG11  VAL  97          1HG1      VAL  97 -11.190   4.825  12.810
  770   HG12  VAL  97          2HG1      VAL  97 -11.958   6.247  12.070
  771   HG13  VAL  97          3HG1      VAL  97 -12.571   4.636  11.702
  772   HG21  VAL  97          3HG2      VAL  97  -9.037   5.810  11.937
  773   HG22  VAL  97          1HG2      VAL  97  -8.815   6.079  10.200
  774   HG23  VAL  97          2HG2      VAL  97  -9.926   7.108  11.109
  775    H    GLU  98           H        GLU  98 -12.048   3.292   8.773
  776    HA   GLU  98           HA       GLU  98 -13.628   1.367  10.418
  777    HB2  GLU  98           2HB      GLU  98 -14.750   3.228   9.241
  778    HB3  GLU  98           3HB      GLU  98 -14.085   2.685   7.710
  779    HG2  GLU  98           2HG      GLU  98 -16.385   2.030   7.844
  780    HG3  GLU  98           3HG      GLU  98 -15.366   0.601   7.824
  781    H    PHE  99           H        PHE  99 -11.970   1.225   7.206
  782    HA   PHE  99           HA       PHE  99 -12.825  -1.555   7.074
  783    HB2  PHE  99           2HB      PHE  99 -11.306   0.033   5.031
  784    HB3  PHE  99           3HB      PHE  99 -11.826  -1.609   4.841
  785    HD1  PHE  99           HD2      PHE  99 -13.211   1.839   5.509
  786    HD2  PHE  99           HD1      PHE  99 -13.991  -2.172   4.120
  787    HE1  PHE  99           HE2      PHE  99 -15.462   2.538   4.757
  788    HE2  PHE  99           HE1      PHE  99 -16.241  -1.460   3.353
  789    HZ   PHE  99           HZ       PHE  99 -16.980   0.894   3.670
  790    H    HIS 100           H        HIS 100 -10.283  -0.573   8.903
  791    HA   HIS 100           HA       HIS 100  -8.228  -2.375   8.245
  792    HB2  HIS 100           2HB      HIS 100  -7.494  -2.246  10.480
  793    HB3  HIS 100           3HB      HIS 100  -8.270  -0.710  10.181
  794    HD1  HIS 100           HD1      HIS 100  -8.237  -3.462  12.643
  795    HD2  HIS 100           HD2      HIS 100 -11.019  -0.629  11.197
  796    HE1  HIS 100           HE1      HIS 100 -10.144  -3.363  14.371
  797    HE2  HIS 100           HE2      HIS 100 -11.823  -1.621  13.489
  798    H    GLN 101           H        GLN 101 -11.336  -3.124   9.633
  799    HA   GLN 101           HA       GLN 101 -10.826  -5.871  10.343
  800    HB2  GLN 101           2HB      GLN 101 -13.206  -5.881  10.899
  801    HB3  GLN 101           3HB      GLN 101 -12.380  -4.463  11.529
  802    HG2  GLN 101           2HG      GLN 101 -13.314  -3.233   9.395
  803    HG3  GLN 101           3HG      GLN 101 -14.395  -4.608   9.265
  804   HE21  GLN 101          1HE2      GLN 101 -14.147  -1.458  10.625
  805   HE22  GLN 101          2HE2      GLN 101 -15.371  -1.704  11.864
  806    H    LEU 102           H        LEU 102 -11.849  -4.402   7.343
  807    HA   LEU 102           HA       LEU 102 -11.751  -6.956   5.885
  808    HB2  LEU 102           2HB      LEU 102 -14.201  -5.130   5.884
  809    HB3  LEU 102           3HB      LEU 102 -13.886  -6.347   4.652
  810    HG   LEU 102           HG       LEU 102 -14.367  -6.945   7.601
  811   HD11  LEU 102          1HD1      LEU 102 -16.164  -7.299   5.173
  812   HD12  LEU 102          2HD1      LEU 102 -16.531  -7.807   6.838
  813   HD13  LEU 102          3HD1      LEU 102 -16.364  -6.085   6.457
  814   HD21  LEU 102          3HD2      LEU 102 -12.980  -8.704   6.520
  815   HD22  LEU 102          1HD2      LEU 102 -14.610  -9.290   6.848
  816   HD23  LEU 102          2HD2      LEU 102 -14.157  -8.819   5.195
  817    H    ASN 103           H        ASN 103  -9.759  -5.740   5.570
  818    HA   ASN 103           HA       ASN 103  -9.619  -3.167   4.474
  819    HB2  ASN 103           2HB      ASN 103  -7.921  -4.684   5.776
  820    HB3  ASN 103           3HB      ASN 103  -7.405  -5.201   4.171
  821   HD21  ASN 103          2HD2      ASN 103  -5.643  -3.980   5.929
  822   HD22  ASN 103          1HD2      ASN 103  -5.294  -2.363   5.340
  823    H    ARG 104           H        ARG 104  -8.567  -2.421   2.602
  824    HA   ARG 104           HA       ARG 104  -9.651  -3.506   0.079
  825    HB2  ARG 104           2HB      ARG 104  -8.697  -1.354  -0.887
  826    HB3  ARG 104           3HB      ARG 104 -10.082  -1.285   0.173
  827    HG2  ARG 104           2HG      ARG 104  -8.671   0.577   0.589
  828    HG3  ARG 104           3HG      ARG 104  -8.740  -0.430   2.026
  829    HD2  ARG 104           2HD      ARG 104  -6.456  -1.231   1.627
  830    HD3  ARG 104           3HD      ARG 104  -6.446  -0.485   0.029
  831    HE   ARG 104           HE       ARG 104  -6.039   1.597   0.919
  832   HH11  ARG 104          1HH1      ARG 104  -6.732  -0.477   3.699
  833   HH12  ARG 104          2HH1      ARG 104  -6.175   0.743   4.810
  834   HH21  ARG 104          1HH2      ARG 104  -5.399   3.051   2.361
  835   HH22  ARG 104          2HH2      ARG 104  -5.431   2.700   4.076
  836    H    GLY 105           H        GLY 105  -8.282  -5.397   0.711
  837    HA2  GLY 105           2HA      GLY 105  -5.473  -5.486  -0.044
  838    HA3  GLY 105           3HA      GLY 105  -6.541  -6.828   0.246
  839    H    ILE 106           H        ILE 106  -5.657  -7.906  -1.522
  840    HA   ILE 106           HA       ILE 106  -5.877  -6.937  -4.282
  841    HB   ILE 106           HB       ILE 106  -3.971  -8.297  -3.358
  842   HG12  ILE 106          2HG1      ILE 106  -3.466  -9.620  -5.209
  843   HG13  ILE 106          3HG1      ILE 106  -5.138  -9.874  -5.651
  844   HG21  ILE 106          1HG2      ILE 106  -5.806 -10.713  -3.459
  845   HG22  ILE 106          2HG2      ILE 106  -4.121 -10.639  -2.926
  846   HG23  ILE 106          3HG2      ILE 106  -5.374  -9.875  -1.961
  847   HD11  ILE 106          3HD1      ILE 106  -5.316  -7.461  -6.334
  848   HD12  ILE 106          1HD1      ILE 106  -3.619  -7.227  -5.857
  849   HD13  ILE 106          2HD1      ILE 106  -4.038  -8.309  -7.193
  850    H    LEU 107           H        LEU 107  -6.796  -8.745  -5.899
  851    HA   LEU 107           HA       LEU 107  -9.487  -8.961  -6.032
  852    HB2  LEU 107           2HB      LEU 107  -7.395 -11.066  -6.692
  853    HB3  LEU 107           3HB      LEU 107  -9.094 -11.343  -7.028
  854    HG   LEU 107           HG       LEU 107  -7.450  -9.103  -8.254
  855   HD11  LEU 107          1HD1      LEU 107  -6.814 -11.361  -9.026
  856   HD12  LEU 107          2HD1      LEU 107  -8.519 -11.749  -9.346
  857   HD13  LEU 107          3HD1      LEU 107  -7.696 -10.513 -10.305
  858   HD21  LEU 107          3HD2      LEU 107  -9.794  -8.410  -8.149
  859   HD22  LEU 107          1HD2      LEU 107  -9.452  -8.950  -9.799
  860   HD23  LEU 107          2HD2      LEU 107 -10.334 -10.016  -8.694
  861    HA   PRO 108           HA       PRO 108 -10.890 -10.631  -2.358
  862    HB2  PRO 108           2HB      PRO 108 -13.051 -12.143  -3.848
  863    HB3  PRO 108           3HB      PRO 108 -13.192 -11.123  -2.380
  864    HG2  PRO 108           2HG      PRO 108 -13.780 -10.068  -4.775
  865    HG3  PRO 108           3HG      PRO 108 -12.726  -9.135  -3.657
  866    HD2  PRO 108           2HD      PRO 108 -11.908 -10.874  -6.002
  867    HD3  PRO 108           3HD      PRO 108 -11.388  -9.225  -5.568
  868    H    CYS 109           H        CYS 109  -8.821 -12.078  -2.322
  869    HA   CYS 109           HA       CYS 109  -9.363 -14.867  -1.612
  870    HB2  CYS 109           2HB      CYS 109  -6.884 -13.081  -1.936
  871    HB3  CYS 109           3HB      CYS 109  -6.886 -14.796  -1.595
  872    HG   CYS 109           HG       CYS 109  -8.019 -13.181  -4.210
  873    H    LEU 110           H        LEU 110  -6.841 -14.055   0.295
  874    HA   LEU 110           HA       LEU 110  -8.476 -13.585   2.712
  875    HB2  LEU 110           2HB      LEU 110  -5.521 -14.111   2.244
  876    HB3  LEU 110           3HB      LEU 110  -6.166 -13.649   3.806
  877    HG   LEU 110           HG       LEU 110  -5.828 -15.968   3.751
  878   HD11  LEU 110          1HD1      LEU 110  -8.831 -15.542   3.670
  879   HD12  LEU 110          2HD1      LEU 110  -7.940 -16.807   4.531
  880   HD13  LEU 110          3HD1      LEU 110  -7.770 -15.119   5.037
  881   HD21  LEU 110          3HD2      LEU 110  -6.097 -16.403   1.312
  882   HD22  LEU 110          1HD2      LEU 110  -6.937 -17.570   2.346
  883   HD23  LEU 110          2HD2      LEU 110  -7.862 -16.303   1.523
  884    H    LEU 111           H        LEU 111  -9.280 -11.662   1.818
  885    HA   LEU 111           HA       LEU 111  -7.760  -9.329   1.280
  886    HB2  LEU 111           2HB      LEU 111  -9.784  -8.220   0.898
  887    HB3  LEU 111           3HB      LEU 111  -9.945  -9.854   0.320
  888    HG   LEU 111           HG       LEU 111 -12.011  -9.173   1.196
  889   HD11  LEU 111          1HD1      LEU 111 -11.462 -11.503   1.740
  890   HD12  LEU 111          2HD1      LEU 111 -10.855 -10.992   3.339
  891   HD13  LEU 111          3HD1      LEU 111 -12.561 -10.781   2.916
  892   HD21  LEU 111          3HD2      LEU 111 -12.524  -8.352   3.355
  893   HD22  LEU 111          1HD2      LEU 111 -10.872  -8.588   3.943
  894   HD23  LEU 111          2HD2      LEU 111 -11.216  -7.355   2.709
  895    H    ARG 112           H        ARG 112  -8.000 -10.500   4.319
  896    HA   ARG 112           HA       ARG 112  -8.528  -7.956   5.731
  897    HB2  ARG 112           2HB      ARG 112  -7.800 -10.653   6.928
  898    HB3  ARG 112           3HB      ARG 112  -8.480  -9.243   7.753
  899    HG2  ARG 112           2HG      ARG 112 -10.527  -9.487   6.200
  900    HG3  ARG 112           3HG      ARG 112  -9.827 -11.025   5.682
  901    HD2  ARG 112           2HD      ARG 112 -11.307 -11.693   7.319
  902    HD3  ARG 112           3HD      ARG 112  -9.769 -11.646   8.198
  903    HE   ARG 112           HE       ARG 112 -11.189  -9.110   8.371
  904   HH11  ARG 112          1HH1      ARG 112 -11.267 -12.320   9.788
  905   HH12  ARG 112          2HH1      ARG 112 -12.170 -11.773  11.175
  906   HH21  ARG 112          1HH2      ARG 112 -12.347  -8.504  10.058
  907   HH22  ARG 112          2HH2      ARG 112 -12.762  -9.621  11.346
  908    H    HIS 113           H        HIS 113  -6.565  -7.373   4.199
  909    HA   HIS 113           HA       HIS 113  -3.912  -7.922   4.933
  910    HB2  HIS 113           2HB      HIS 113  -4.946  -5.385   3.618
  911    HB3  HIS 113           3HB      HIS 113  -3.292  -5.945   3.674
  912    HD2  HIS 113           HD2      HIS 113  -2.802  -6.359   1.200
  913    HE1  HIS 113           HE1      HIS 113  -5.418  -9.657   0.656
  914    HE2  HIS 113           HE2      HIS 113  -3.415  -8.404  -0.302
  915    H    CYS 114           H        CYS 114  -2.391  -7.196   5.990
  916    HA   CYS 114           HA       CYS 114  -2.608  -5.034   7.999
  917    HB2  CYS 114           2HB      CYS 114  -1.366  -7.767   8.514
  918    HB3  CYS 114           3HB      CYS 114  -1.706  -6.485   9.647
  919    HG   CYS 114           HG       CYS 114  -4.357  -6.548   9.353
  920    H    CYS 115           H        CYS 115  -0.059  -5.293   9.038
  921    HA   CYS 115           HA       CYS 115   1.523  -4.430   6.678
  922    HB2  CYS 115           2HB      CYS 115   1.842  -3.803   9.623
  923    HB3  CYS 115           3HB      CYS 115   2.916  -3.228   8.338
  924    HG   CYS 115           HG       CYS 115   1.299  -1.285   9.034
  925    H    THR 116           H        THR 116   3.445  -5.169   6.086
  926    HA   THR 116           HA       THR 116   4.660  -7.511   7.480
  927    HB   THR 116           HB       THR 116   4.001  -7.686   5.063
  928    HG1  THR 116           1HG      THR 116   6.225  -8.541   4.580
  929   HG21  THR 116          1HG2      THR 116   6.546  -6.095   4.523
  930   HG22  THR 116          2HG2      THR 116   5.452  -6.851   3.345
  931   HG23  THR 116          3HG2      THR 116   4.908  -5.461   4.285
  932    H    ARG 117           H        ARG 117   7.166  -7.550   6.927
  933    HA   ARG 117           HA       ARG 117   8.263  -5.639   8.819
  934    HB2  ARG 117           2HB      ARG 117   8.868  -8.047   8.672
  935    HB3  ARG 117           3HB      ARG 117   9.660  -7.756   7.122
  936    HG2  ARG 117           2HG      ARG 117  11.317  -6.305   8.179
  937    HG3  ARG 117           3HG      ARG 117  10.475  -6.392   9.736
  938    HD2  ARG 117           2HD      ARG 117  11.692  -8.778   8.280
  939    HD3  ARG 117           3HD      ARG 117  12.514  -7.845   9.543
  940    HE   ARG 117           HE       ARG 117  10.057  -8.632  10.652
  941   HH11  ARG 117          1HH1      ARG 117  12.948 -10.263   9.541
  942   HH12  ARG 117          2HH1      ARG 117  12.726 -11.608  10.627
  943   HH21  ARG 117          1HH2      ARG 117   9.817 -10.382  12.009
  944   HH22  ARG 117          2HH2      ARG 117  10.991 -11.663  11.992
  945    H    VAL 118           H        VAL 118   9.865  -4.118   8.570
  946    HA   VAL 118           HA       VAL 118  10.444  -3.087   5.821
  947    HB   VAL 118           HB       VAL 118  10.637  -0.831   6.812
  948   HG11  VAL 118          1HG1      VAL 118   8.231  -0.389   6.918
  949   HG12  VAL 118          2HG1      VAL 118   8.625  -1.525   5.614
  950   HG13  VAL 118          3HG1      VAL 118   7.906  -2.122   7.123
  951   HG21  VAL 118          3HG2      VAL 118   9.596  -0.294   8.956
  952   HG22  VAL 118          1HG2      VAL 118   9.282  -2.005   9.277
  953   HG23  VAL 118          2HG2      VAL 118  10.952  -1.401   9.206
  954    H    ALA 119           H        ALA 119  12.470  -2.112   5.449
  955    HA   ALA 119           HA       ALA 119  14.690  -3.321   6.914
  956    HB1  ALA 119           3HB      ALA 119  16.057  -2.265   5.166
  957    HB2  ALA 119           1HB      ALA 119  14.698  -3.159   4.458
  958    HB3  ALA 119           2HB      ALA 119  14.638  -1.382   4.565
  959    H    LEU 120           H        LEU 120  16.403  -2.203   7.890
  960    HA   LEU 120           HA       LEU 120  16.166   0.639   8.613
  961    HB2  LEU 120           2HB      LEU 120  14.912  -0.535  10.389
  962    HB3  LEU 120           3HB      LEU 120  16.277  -1.616  10.657
  963    HG   LEU 120           HG       LEU 120  17.656   0.291  11.444
  964   HD11  LEU 120          1HD1      LEU 120  16.627   2.160  10.234
  965   HD12  LEU 120          2HD1      LEU 120  15.087   1.899  11.087
  966   HD13  LEU 120          3HD1      LEU 120  16.524   2.443  11.979
  967   HD21  LEU 120          3HD2      LEU 120  16.330  -1.058  13.029
  968   HD22  LEU 120          1HD2      LEU 120  16.470   0.623  13.563
  969   HD23  LEU 120          2HD2      LEU 120  14.955   0.052  12.830
  970    H2   PRO1135           H2       PRO1135  10.502  -4.138 -15.127
  971    H3   PRO1135           H3       PRO1135   9.583  -3.695 -16.439
  972    HA   PRO1135           HA       PRO1135   9.281  -5.925 -17.132
  973    HB2  PRO1135           2HB      PRO1135  11.102  -6.867 -14.906
  974    HB3  PRO1135           3HB      PRO1135  10.737  -7.645 -16.479
  975    HG2  PRO1135           2HG      PRO1135  12.870  -5.792 -15.881
  976    HG3  PRO1135           3HG      PRO1135  12.410  -6.368 -17.512
  977    HD2  PRO1135           2HD      PRO1135  12.161  -3.722 -16.697
  978    HD3  PRO1135           3HD      PRO1135  11.175  -4.488 -17.969
  979    H    GLN1136           H        GLN1136   7.814  -7.467 -16.356
  980    HA   GLN1136           HA       GLN1136   6.047  -6.459 -14.264
  981    HB2  GLN1136           2HB      GLN1136   5.910  -8.739 -16.278
  982    HB3  GLN1136           3HB      GLN1136   4.597  -8.387 -15.180
  983    HG2  GLN1136           2HG      GLN1136   5.684  -6.399 -17.230
  984    HG3  GLN1136           3HG      GLN1136   4.305  -7.458 -17.478
  985   HE21  GLN1136          2HE2      GLN1136   3.512  -5.030 -17.906
  986   HE22  GLN1136          1HE2      GLN1136   2.708  -4.329 -16.499
  987    HA   PRO1137           HA       PRO1137   4.111  -7.596 -13.245
  988    HB2  PRO1137           2HB      PRO1137   3.132  -8.049 -10.782
  989    HB3  PRO1137           3HB      PRO1137   3.253  -9.340 -12.017
  990    HG2  PRO1137           2HG      PRO1137   5.153  -8.765  -9.728
  991    HG3  PRO1137           3HG      PRO1137   4.478 -10.341 -10.237
  992    HD2  PRO1137           2HD      PRO1137   6.972  -9.453 -11.011
  993    HD3  PRO1137           3HD      PRO1137   5.964 -10.526 -12.024
  994    H    GLU1138           H        GLU1138   3.549  -5.523 -12.874
  995    HA   GLU1138           HA       GLU1138   5.157  -3.882 -10.962
  996    HB2  GLU1138           2HB      GLU1138   3.913  -3.314 -13.657
  997    HB3  GLU1138           3HB      GLU1138   4.288  -1.992 -12.541
  998    HG2  GLU1138           2HG      GLU1138   6.537  -2.494 -12.408
  999    HG3  GLU1138           3HG      GLU1138   6.374  -4.063 -13.218
 1000    H    PTR1139           H        PTR1139   2.345  -2.431 -12.178
 1001    HA   PTR1139           HA       PTR1139   1.263  -2.092  -9.511
 1002    HB2  PTR1139           2HB      PTR1139   1.162  -0.450 -11.888
 1003    HB3  PTR1139           3HB      PTR1139   0.247  -0.137 -10.436
 1004    HD1  PTR1139           1HD      PTR1139   1.523   0.153  -8.111
 1005    HD2  PTR1139           2HD      PTR1139   3.668   0.242 -11.913
 1006    HE1  PTR1139           1HE      PTR1139   3.157   1.642  -7.215
 1007    HE2  PTR1139           2HE      PTR1139   5.211   1.991 -10.888
 1008    H    VAL1140           H        VAL1140  -1.301  -1.412 -10.146
 1009    HA   VAL1140           HA       VAL1140  -2.830  -3.739 -10.726
 1010    HB   VAL1140           HB       VAL1140  -2.558  -2.994  -7.721
 1011   HG11  VAL1140          1HG1      VAL1140  -4.285  -4.626  -7.036
 1012   HG12  VAL1140          2HG1      VAL1140  -4.876  -3.153  -7.780
 1013   HG13  VAL1140          3HG1      VAL1140  -4.818  -4.705  -8.727
 1014   HG21  VAL1140          3HG2      VAL1140  -1.085  -4.820  -8.491
 1015   HG22  VAL1140          1HG2      VAL1140  -2.254  -5.440  -7.352
 1016   HG23  VAL1140          2HG2      VAL1140  -2.490  -5.717  -9.098
 1017    H    ASN1141           H        ASN1141  -2.895  -0.308 -10.149
 1018    HA   ASN1141           HA       ASN1141  -5.807  -0.502 -10.355
 1019    HB2  ASN1141           2HB      ASN1141  -4.768   1.733 -11.878
 1020    HB3  ASN1141           3HB      ASN1141  -6.069   1.686 -10.814
 1021   HD21  ASN1141          1HD2      ASN1141  -4.169   0.725  -8.416
 1022   HD22  ASN1141          2HD2      ASN1141  -3.365   2.274  -8.117
 1023    H    GLN1142           H        GLN1142  -3.000  -0.723 -12.423
 1024    HA   GLN1142           HA       GLN1142  -3.909  -2.902 -14.000
 1025    HB2  GLN1142           2HB      GLN1142  -2.195  -0.376 -14.556
 1026    HB3  GLN1142           3HB      GLN1142  -2.120  -1.703 -15.616
 1027    HG2  GLN1142           2HG      GLN1142  -3.278   0.147 -16.726
 1028    HG3  GLN1142           3HG      GLN1142  -4.261  -1.304 -16.643
 1029   HE21  GLN1142          2HE2      GLN1142  -3.907   1.989 -14.990
 1030   HE22  GLN1142          1HE2      GLN1142  -5.611   2.011 -14.592
 1031    HA   PRO1143           HA       PRO1143   0.434  -3.558 -12.912
 1032    HB2  PRO1143           2HB      PRO1143   1.225  -5.482 -14.711
 1033    HB3  PRO1143           3HB      PRO1143   0.132  -5.869 -13.352
 1034    HG2  PRO1143           2HG      PRO1143  -0.615  -5.218 -16.227
 1035    HG3  PRO1143           3HG      PRO1143  -1.173  -6.598 -15.228
 1036    HD2  PRO1143           2HD      PRO1143  -2.601  -4.251 -15.522
 1037    HD3  PRO1143           3HD      PRO1143  -2.670  -5.247 -14.036
 1038    H    ASP1144           H        ASP1144  -0.016  -1.417 -13.735
 1039    HA   ASP1144           HA       ASP1144  -0.043   0.370 -14.828
 1040    HB2  ASP1144           2HB      ASP1144   2.057   0.529 -13.672
 1041    HB3  ASP1144           3HB      ASP1144   2.921  -0.325 -14.948
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1 -20.543  -9.824  40.331
    2    H2   GLY   1           H2       GLY   1 -22.172  -9.682  40.445
    3    H3   GLY   1           H3       GLY   1 -21.236  -8.340  40.349
    4    HA2  GLY   1           2HA      GLY   1 -21.580 -10.355  38.218
    5    HA3  GLY   1           3HA      GLY   1 -22.323  -8.746  38.238
    6    H    SER   2           H        SER   2 -21.171  -8.769  36.072
    7    HA   SER   2           HA       SER   2 -18.329  -8.605  35.893
    8    HB2  SER   2           2HB      SER   2 -20.451  -7.512  34.010
    9    HB3  SER   2           3HB      SER   2 -18.738  -7.746  33.616
   10    HG   SER   2           HG       SER   2 -20.036  -9.509  32.932
   11    HA   PRO   3           HA       PRO   3 -17.560  -4.371  37.092
   12    HB2  PRO   3           2HB      PRO   3 -15.207  -3.808  35.830
   13    HB3  PRO   3           3HB      PRO   3 -15.330  -4.980  37.178
   14    HG2  PRO   3           2HG      PRO   3 -15.352  -5.571  34.198
   15    HG3  PRO   3           3HG      PRO   3 -14.342  -6.338  35.468
   16    HD2  PRO   3           2HD      PRO   3 -16.649  -7.478  34.598
   17    HD3  PRO   3           3HD      PRO   3 -16.179  -7.556  36.321
   18    H    ALA   4           H        ALA   4 -17.568  -2.194  36.341
   19    HA   ALA   4           HA       ALA   4 -19.034  -1.722  33.866
   20    HB1  ALA   4           3HB      ALA   4 -17.874   0.208  35.920
   21    HB2  ALA   4           1HB      ALA   4 -19.025   0.617  34.630
   22    HB3  ALA   4           2HB      ALA   4 -19.517  -0.478  35.937
   23    H    SER   5           H        SER   5 -18.383  -0.336  32.139
   24    HA   SER   5           HA       SER   5 -15.728  -0.796  31.140
   25    HB2  SER   5           2HB      SER   5 -17.833   1.162  30.146
   26    HB3  SER   5           3HB      SER   5 -16.425   0.583  29.240
   27    HG   SER   5           HG       SER   5 -17.301  -1.510  29.303
   28    H    GLY   6           H        GLY   6 -13.974   0.537  30.885
   29    HA2  GLY   6           2HA      GLY   6 -13.634   2.830  32.663
   30    HA3  GLY   6           3HA      GLY   6 -12.447   2.159  31.551
   31    H    THR   7           H        THR   7 -12.505   4.820  31.782
   32    HA   THR   7           HA       THR   7 -14.125   6.096  29.690
   33    HB   THR   7           HB       THR   7 -12.741   8.107  30.248
   34    HG1  THR   7           1HG      THR   7 -11.422   7.941  32.077
   35   HG21  THR   7          1HG2      THR   7 -14.866   7.642  31.446
   36   HG22  THR   7          2HG2      THR   7 -13.969   6.730  32.679
   37   HG23  THR   7          3HG2      THR   7 -13.684   8.472  32.470
   38    H    SER   8           H        SER   8 -11.072   4.464  29.756
   39    HA   SER   8           HA       SER   8  -9.972   5.744  27.365
   40    HB2  SER   8           2HB      SER   8  -8.189   4.037  27.612
   41    HB3  SER   8           3HB      SER   8  -8.437   5.024  29.059
   42    HG   SER   8           HG       SER   8  -8.240   2.791  29.544
   43    H    LEU   9           H        LEU   9  -9.385   4.566  25.457
   44    HA   LEU   9           HA       LEU   9 -11.145   2.284  24.673
   45    HB2  LEU   9           2HB      LEU   9 -10.584   4.832  23.099
   46    HB3  LEU   9           3HB      LEU   9 -11.361   3.405  22.426
   47    HG   LEU   9           HG       LEU   9 -12.510   5.067  24.714
   48   HD11  LEU   9          1HD1      LEU   9 -12.449   6.304  22.583
   49   HD12  LEU   9          2HD1      LEU   9 -13.265   4.951  21.765
   50   HD13  LEU   9          3HD1      LEU   9 -14.106   5.875  23.032
   51   HD21  LEU   9          3HD2      LEU   9 -14.602   3.825  24.217
   52   HD22  LEU   9          1HD2      LEU   9 -13.727   2.817  23.042
   53   HD23  LEU   9          2HD2      LEU   9 -13.328   2.738  24.774
   54    H    SER  10           H        SER  10 -10.351   1.095  22.794
   55    HA   SER  10           HA       SER  10  -7.644   0.318  23.039
   56    HB2  SER  10           2HB      SER  10  -9.529  -0.133  20.694
   57    HB3  SER  10           3HB      SER  10  -8.031  -1.027  21.023
   58    HG   SER  10           HG       SER  10  -9.887  -2.122  21.808
   59    H    ALA  11           H        ALA  11  -5.777   0.905  22.096
   60    HA   ALA  11           HA       ALA  11  -5.725   3.356  20.487
   61    HB1  ALA  11           3HB      ALA  11  -4.315   3.098  22.489
   62    HB2  ALA  11           1HB      ALA  11  -3.489   1.711  21.739
   63    HB3  ALA  11           2HB      ALA  11  -3.332   3.332  21.033
   64    H    ALA  12           H        ALA  12  -4.293   3.633  18.674
   65    HA   ALA  12           HA       ALA  12  -3.576   1.255  17.063
   66    HB1  ALA  12           3HB      ALA  12  -5.228   3.596  16.008
   67    HB2  ALA  12           1HB      ALA  12  -4.567   2.260  15.036
   68    HB3  ALA  12           2HB      ALA  12  -5.811   1.935  16.259
   69    H    ILE  13           H        ILE  13  -1.764   1.555  15.758
   70    HA   ILE  13           HA       ILE  13   0.006   3.680  16.661
   71    HB   ILE  13           HB       ILE  13   1.737   2.581  15.413
   72   HG12  ILE  13          2HG1      ILE  13  -0.373   0.672  14.310
   73   HG13  ILE  13          3HG1      ILE  13   0.454   1.930  13.388
   74   HG21  ILE  13          1HG2      ILE  13   1.007   1.757  17.662
   75   HG22  ILE  13          2HG2      ILE  13   0.058   0.490  16.854
   76   HG23  ILE  13          3HG2      ILE  13   1.823   0.539  16.684
   77   HD11  ILE  13          3HD1      ILE  13   2.640   0.818  13.834
   78   HD12  ILE  13          1HD1      ILE  13   1.759  -0.521  14.618
   79   HD13  ILE  13          2HD1      ILE  13   1.499  -0.171  12.901
   80    H    HIS  14           H        HIS  14  -1.984   3.338  13.852
   81    HA   HIS  14           HA       HIS  14  -0.465   5.020  12.074
   82    HB2  HIS  14           2HB      HIS  14  -3.305   3.946  11.936
   83    HB3  HIS  14           3HB      HIS  14  -2.455   4.751  10.612
   84    HD2  HIS  14           HD2      HIS  14  -0.200   3.535   9.658
   85    HE1  HIS  14           HE1      HIS  14  -1.093  -0.340  11.197
   86    HE2  HIS  14           HE2      HIS  14   0.377   0.968   9.567
   87    H    ARG  15           H        ARG  15  -0.368   6.610  13.991
   88    HA   ARG  15           HA       ARG  15  -2.277   8.828  13.433
   89    HB2  ARG  15           2HB      ARG  15  -2.078   9.510  15.813
   90    HB3  ARG  15           3HB      ARG  15  -2.644   7.843  15.699
   91    HG2  ARG  15           2HG      ARG  15  -0.421   6.964  16.188
   92    HG3  ARG  15           3HG      ARG  15   0.307   8.558  16.117
   93    HD2  ARG  15           2HD      ARG  15  -1.814   7.698  18.134
   94    HD3  ARG  15           3HD      ARG  15  -0.067   7.687  18.435
   95    HE   ARG  15           HE       ARG  15  -0.697  10.293  17.580
   96   HH11  ARG  15          1HH1      ARG  15  -1.465   8.299  20.353
   97   HH12  ARG  15          2HH1      ARG  15  -1.678   9.671  21.405
   98   HH21  ARG  15          1HH2      ARG  15  -0.993  12.009  18.969
   99   HH22  ARG  15          2HH2      ARG  15  -1.411  11.722  20.630
  100    H    THR  16           H        THR  16   0.468   8.084  12.729
  101    HA   THR  16           HA       THR  16   1.524  10.769  12.216
  102    HB   THR  16           HB       THR  16   3.831  10.307  12.916
  103    HG1  THR  16           1HG      THR  16   4.120   8.509  14.361
  104   HG21  THR  16          1HG2      THR  16   3.663  10.562  15.289
  105   HG22  THR  16          2HG2      THR  16   2.319  11.448  14.548
  106   HG23  THR  16          3HG2      THR  16   2.030   9.872  15.319
  107    H    GLN  17           H        GLN  17   3.648  10.462  10.799
  108    HA   GLN  17           HA       GLN  17   2.989   8.692   8.597
  109    HB2  GLN  17           2HB      GLN  17   4.722   9.776   7.405
  110    HB3  GLN  17           3HB      GLN  17   3.827  10.994   8.288
  111    HG2  GLN  17           2HG      GLN  17   6.569   9.872   9.036
  112    HG3  GLN  17           3HG      GLN  17   6.255  11.434   8.304
  113   HE21  GLN  17          2HE2      GLN  17   7.437  10.518  11.066
  114   HE22  GLN  17          1HE2      GLN  17   6.490  11.481  12.197
  115    H    LEU  18           H        LEU  18   4.017   7.466  11.339
  116    HA   LEU  18           HA       LEU  18   6.569   6.393  10.811
  117    HB2  LEU  18           2HB      LEU  18   6.366   5.232  12.774
  118    HB3  LEU  18           3HB      LEU  18   5.275   6.575  13.034
  119    HG   LEU  18           HG       LEU  18   4.523   3.696  12.319
  120   HD11  LEU  18          1HD1      LEU  18   5.332   4.045  14.626
  121   HD12  LEU  18          2HD1      LEU  18   4.095   5.302  14.866
  122   HD13  LEU  18          3HD1      LEU  18   3.617   3.616  14.577
  123   HD21  LEU  18          3HD2      LEU  18   2.632   5.987  12.986
  124   HD22  LEU  18          1HD2      LEU  18   2.811   5.262  11.376
  125   HD23  LEU  18          2HD2      LEU  18   2.198   4.287  12.704
  126    H    TRP  19           H        TRP  19   3.731   5.436   9.337
  127    HA   TRP  19           HA       TRP  19   4.707   2.717   8.623
  128    HB2  TRP  19           2HB      TRP  19   2.383   3.219   9.634
  129    HB3  TRP  19           3HB      TRP  19   1.964   3.865   8.050
  130    HD1  TRP  19           HD1      TRP  19   0.654   2.134   6.730
  131    HE1  TRP  19           HE1      TRP  19   0.568  -0.428   6.531
  132    HE3  TRP  19           HE3      TRP  19   4.343   0.937  10.084
  133    HZ2  TRP  19           HZ2      TRP  19   2.015  -2.681   7.574
  134    HZ3  TRP  19           HZ3      TRP  19   4.986  -1.433  10.441
  135    HH2  TRP  19           HH2      TRP  19   3.866  -3.241   9.185
  136    H    PHE  20           H        PHE  20   5.321   5.636   7.414
  137    HA   PHE  20           HA       PHE  20   4.935   4.869   4.570
  138    HB2  PHE  20           2HB      PHE  20   3.518   6.712   5.253
  139    HB3  PHE  20           3HB      PHE  20   4.900   7.587   5.896
  140    HD1  PHE  20           HD2      PHE  20   3.251   6.425   2.766
  141    HD2  PHE  20           HD1      PHE  20   6.376   8.862   4.471
  142    HE1  PHE  20           HE2      PHE  20   3.584   7.539   0.568
  143    HE2  PHE  20           HE1      PHE  20   6.711   9.968   2.274
  144    HZ   PHE  20           HZ       PHE  20   5.317   9.318   0.328
  145    H    HIS  21           H        HIS  21   6.405   5.036   3.124
  146    HA   HIS  21           HA       HIS  21   9.073   6.221   3.505
  147    HB2  HIS  21           2HB      HIS  21   8.824   3.541   4.061
  148    HB3  HIS  21           3HB      HIS  21   8.978   3.451   2.321
  149    HD2  HIS  21           HD2      HIS  21  11.108   3.080   5.136
  150    HE1  HIS  21           HE1      HIS  21  13.683   5.161   2.444
  151    HE2  HIS  21           HE2      HIS  21  13.592   3.763   4.570
  152    H    GLY  22           H        GLY  22  10.213   6.060   1.007
  153    HA2  GLY  22           2HA      GLY  22   7.973   6.010  -0.943
  154    HA3  GLY  22           3HA      GLY  22   9.142   7.199  -1.006
  155    H    ARG  23           H        ARG  23  10.626   6.499  -2.805
  156    HA   ARG  23           HA       ARG  23  10.179   4.105  -4.071
  157    HB2  ARG  23           2HB      ARG  23  11.363   5.953  -5.138
  158    HB3  ARG  23           3HB      ARG  23  12.864   5.432  -4.323
  159    HG2  ARG  23           2HG      ARG  23  12.512   3.152  -5.448
  160    HG3  ARG  23           3HG      ARG  23  11.142   3.850  -6.309
  161    HD2  ARG  23           2HD      ARG  23  13.112   3.776  -7.735
  162    HD3  ARG  23           3HD      ARG  23  12.678   5.446  -7.416
  163    HE   ARG  23           HE       ARG  23  14.707   5.765  -6.317
  164   HH11  ARG  23          1HH1      ARG  23  14.368   2.275  -6.712
  165   HH12  ARG  23          2HH1      ARG  23  15.959   1.992  -6.059
  166   HH21  ARG  23          1HH2      ARG  23  16.701   5.297  -5.517
  167   HH22  ARG  23          2HH2      ARG  23  17.241   3.650  -5.426
  168    H    ILE  24           H        ILE  24  10.446   2.262  -3.792
  169    HA   ILE  24           HA       ILE  24  12.856   0.774  -3.161
  170    HB   ILE  24           HB       ILE  24  11.964   1.021  -0.915
  171   HG12  ILE  24          2HG1      ILE  24  11.572  -1.811  -1.950
  172   HG13  ILE  24          3HG1      ILE  24  13.132  -1.033  -1.675
  173   HG21  ILE  24          1HG2      ILE  24   9.438  -0.489  -1.649
  174   HG22  ILE  24          2HG2      ILE  24   9.868   0.300  -0.119
  175   HG23  ILE  24          3HG2      ILE  24   9.531   1.283  -1.550
  176   HD11  ILE  24          3HD1      ILE  24  11.049  -1.686   0.448
  177   HD12  ILE  24          1HD1      ILE  24  12.645  -2.423   0.224
  178   HD13  ILE  24          2HD1      ILE  24  12.528  -0.734   0.742
  179    H    SER  25           H        SER  25  12.617   0.786  -5.334
  180    HA   SER  25           HA       SER  25  10.725   0.753  -7.113
  181    HB2  SER  25           2HB      SER  25  13.148  -1.081  -7.195
  182    HB3  SER  25           3HB      SER  25  12.213  -0.554  -8.600
  183    HG   SER  25           HG       SER  25  13.881   0.826  -8.423
  184    H    ARG  26           H        ARG  26   8.967  -0.181  -7.584
  185    HA   ARG  26           HA       ARG  26   7.929  -2.465  -6.357
  186    HB2  ARG  26           2HB      ARG  26   5.971  -1.869  -7.345
  187    HB3  ARG  26           3HB      ARG  26   6.775  -0.360  -7.405
  188    HG2  ARG  26           2HG      ARG  26   6.448  -2.415  -9.679
  189    HG3  ARG  26           3HG      ARG  26   5.509  -0.952  -9.469
  190    HD2  ARG  26           2HD      ARG  26   7.696   0.350  -9.712
  191    HD3  ARG  26           3HD      ARG  26   8.426  -1.185 -10.170
  192    HE   ARG  26           HE       ARG  26   6.084  -0.260 -11.728
  193   HH11  ARG  26          1HH1      ARG  26   9.556  -0.749 -11.698
  194   HH12  ARG  26          2HH1      ARG  26   9.720  -0.308 -13.384
  195   HH21  ARG  26          2HH2      ARG  26   6.432   0.546 -13.845
  196   HH22  ARG  26          1HH2      ARG  26   7.991   0.294 -14.557
  197    H    GLU  27           H        GLU  27   9.801  -2.378  -9.285
  198    HA   GLU  27           HA       GLU  27   9.199  -5.131 -10.021
  199    HB2  GLU  27           2HB      GLU  27  10.707  -4.889 -11.782
  200    HB3  GLU  27           3HB      GLU  27   9.752  -3.427 -11.722
  201    HG2  GLU  27           2HG      GLU  27  12.611  -3.597 -10.637
  202    HG3  GLU  27           3HG      GLU  27  12.230  -3.267 -12.313
  203    H    GLU  28           H        GLU  28  11.777  -3.519  -8.191
  204    HA   GLU  28           HA       GLU  28  13.445  -5.930  -8.017
  205    HB2  GLU  28           2HB      GLU  28  14.364  -3.629  -8.259
  206    HB3  GLU  28           3HB      GLU  28  13.742  -3.231  -6.650
  207    HG2  GLU  28           2HG      GLU  28  15.189  -4.946  -5.638
  208    HG3  GLU  28           3HG      GLU  28  15.721  -5.476  -7.236
  209    H    SER  29           H        SER  29  11.332  -4.100  -5.819
  210    HA   SER  29           HA       SER  29  12.029  -5.245  -3.367
  211    HB2  SER  29           2HB      SER  29   9.637  -4.620  -2.687
  212    HB3  SER  29           3HB      SER  29  10.651  -3.331  -3.353
  213    HG   SER  29           HG       SER  29   9.559  -3.329  -5.176
  214    H    GLN  30           H        GLN  30   9.798  -6.617  -5.752
  215    HA   GLN  30           HA       GLN  30   8.927  -8.753  -4.103
  216    HB2  GLN  30           2HB      GLN  30   8.394  -9.893  -6.412
  217    HB3  GLN  30           3HB      GLN  30   7.465  -8.570  -5.752
  218    HG2  GLN  30           2HG      GLN  30   8.698  -6.960  -7.208
  219    HG3  GLN  30           3HG      GLN  30   9.570  -8.329  -7.919
  220   HE21  GLN  30          1HE2      GLN  30   6.063  -7.488  -7.155
  221   HE22  GLN  30          2HE2      GLN  30   5.535  -7.905  -8.776
  222    H    ARG  31           H        ARG  31  12.049  -8.412  -5.471
  223    HA   ARG  31           HA       ARG  31  12.697 -11.283  -5.333
  224    HB2  ARG  31           2HB      ARG  31  13.737  -9.632  -6.916
  225    HB3  ARG  31           3HB      ARG  31  14.527  -8.854  -5.544
  226    HG2  ARG  31           2HG      ARG  31  15.731 -10.969  -5.033
  227    HG3  ARG  31           3HG      ARG  31  14.934 -11.758  -6.404
  228    HD2  ARG  31           2HD      ARG  31  16.744  -9.308  -6.578
  229    HD3  ARG  31           3HD      ARG  31  17.271 -10.977  -6.858
  230    HE   ARG  31           HE       ARG  31  15.115 -10.617  -8.589
  231   HH11  ARG  31          1HH1      ARG  31  18.276  -9.153  -8.243
  232   HH12  ARG  31          2HH1      ARG  31  18.385  -8.750  -9.935
  233   HH21  ARG  31          1HH2      ARG  31  15.301 -10.069 -10.739
  234   HH22  ARG  31          2HH2      ARG  31  16.733  -9.266 -11.312
  235    H    LEU  32           H        LEU  32  12.751  -8.556  -3.138
  236    HA   LEU  32           HA       LEU  32  14.339 -10.047  -1.088
  237    HB2  LEU  32           2HB      LEU  32  13.716  -7.106  -1.524
  238    HB3  LEU  32           3HB      LEU  32  14.327  -7.726   0.002
  239    HG   LEU  32           HG       LEU  32  16.368  -8.568  -1.136
  240   HD11  LEU  32          1HD1      LEU  32  15.726  -8.829  -3.444
  241   HD12  LEU  32          2HD1      LEU  32  15.204  -7.126  -3.563
  242   HD13  LEU  32          3HD1      LEU  32  16.923  -7.546  -3.383
  243   HD21  LEU  32          3HD2      LEU  32  16.281  -6.365  -0.013
  244   HD22  LEU  32          1HD2      LEU  32  17.377  -6.339  -1.401
  245   HD23  LEU  32          2HD2      LEU  32  15.761  -5.606  -1.535
  246    H    ILE  33           H        ILE  33  11.450  -7.917  -1.159
  247    HA   ILE  33           HA       ILE  33  10.464  -8.919   1.450
  248    HB   ILE  33           HB       ILE  33   9.296  -6.838  -0.456
  249   HG12  ILE  33          2HG1      ILE  33  10.349  -5.420   1.699
  250   HG13  ILE  33          3HG1      ILE  33  11.544  -6.686   1.531
  251   HG21  ILE  33          1HG2      ILE  33   7.683  -7.660   1.304
  252   HG22  ILE  33          2HG2      ILE  33   8.861  -7.233   2.546
  253   HG23  ILE  33          3HG2      ILE  33   8.124  -5.977   1.527
  254   HD11  ILE  33          3HD1      ILE  33  11.793  -5.988  -0.909
  255   HD12  ILE  33          1HD1      ILE  33  10.646  -4.674  -0.575
  256   HD13  ILE  33          2HD1      ILE  33  12.208  -4.733   0.265
  257    H    GLY  34           H        GLY  34  10.225 -10.053  -1.717
  258    HA2  GLY  34           2HA      GLY  34   7.446 -11.023  -1.455
  259    HA3  GLY  34           3HA      GLY  34   8.499 -11.169  -2.851
  260    H    GLN  35           H        GLN  35  10.187 -12.228  -0.099
  261    HA   GLN  35           HA       GLN  35   9.672 -15.065  -0.784
  262    HB2  GLN  35           2HB      GLN  35  11.582 -15.631   0.516
  263    HB3  GLN  35           3HB      GLN  35  11.975 -14.341  -0.603
  264    HG2  GLN  35           2HG      GLN  35  13.117 -13.784   1.359
  265    HG3  GLN  35           3HG      GLN  35  11.735 -12.700   1.348
  266   HE21  GLN  35          2HE2      GLN  35  12.920 -15.815   2.782
  267   HE22  GLN  35          1HE2      GLN  35  11.969 -15.628   4.249
  268    H    GLN  36           H        GLN  36   8.297 -12.747   1.176
  269    HA   GLN  36           HA       GLN  36   7.605 -14.321   3.454
  270    HB2  GLN  36           2HB      GLN  36   6.701 -11.646   2.363
  271    HB3  GLN  36           3HB      GLN  36   5.825 -12.436   3.668
  272    HG2  GLN  36           2HG      GLN  36   7.232 -11.482   5.106
  273    HG3  GLN  36           3HG      GLN  36   8.455 -12.625   4.546
  274   HE21  GLN  36          2HE2      GLN  36  10.155 -11.951   3.390
  275   HE22  GLN  36          1HE2      GLN  36  10.513 -10.224   3.180
  276    H    GLY  37           H        GLY  37   5.651 -15.454   3.831
  277    HA2  GLY  37           2HA      GLY  37   3.913 -16.020   1.444
  278    HA3  GLY  37           3HA      GLY  37   4.489 -17.239   2.572
  279    H    LEU  38           H        LEU  38   3.231 -14.077   3.629
  280    HA   LEU  38           HA       LEU  38   1.215 -15.447   5.302
  281    HB2  LEU  38           2HB      LEU  38   2.094 -12.539   5.074
  282    HB3  LEU  38           3HB      LEU  38   0.875 -13.122   6.187
  283    HG   LEU  38           HG       LEU  38   2.773 -12.799   7.462
  284   HD11  LEU  38          1HD1      LEU  38   3.247 -14.949   8.439
  285   HD12  LEU  38          2HD1      LEU  38   1.542 -14.895   7.959
  286   HD13  LEU  38          3HD1      LEU  38   2.721 -15.798   6.974
  287   HD21  LEU  38          3HD2      LEU  38   4.964 -13.656   7.127
  288   HD22  LEU  38          1HD2      LEU  38   4.475 -14.598   5.714
  289   HD23  LEU  38          2HD2      LEU  38   4.481 -12.813   5.647
  290    H    VAL  39           H        VAL  39  -0.934 -14.031   5.537
  291    HA   VAL  39           HA       VAL  39  -2.497 -14.334   3.130
  292    HB   VAL  39           HB       VAL  39  -4.277 -13.152   4.246
  293   HG11  VAL  39          1HG1      VAL  39  -4.670 -14.743   6.046
  294   HG12  VAL  39          2HG1      VAL  39  -3.933 -15.564   4.662
  295   HG13  VAL  39          3HG1      VAL  39  -2.951 -15.178   6.092
  296   HG21  VAL  39          3HG2      VAL  39  -2.391 -12.736   6.597
  297   HG22  VAL  39          1HG2      VAL  39  -3.033 -11.460   5.532
  298   HG23  VAL  39          2HG2      VAL  39  -4.128 -12.389   6.557
  299    H    ASP  40           H        ASP  40  -3.381 -13.058   1.715
  300    HA   ASP  40           HA       ASP  40  -1.818 -11.288   0.452
  301    HB2  ASP  40           2HB      ASP  40  -4.825 -11.427   0.240
  302    HB3  ASP  40           3HB      ASP  40  -3.707 -10.845  -0.996
  303    H    GLY  41           H        GLY  41  -2.853 -10.421   3.175
  304    HA2  GLY  41           2HA      GLY  41  -3.360  -7.456   2.709
  305    HA3  GLY  41           3HA      GLY  41  -3.947  -8.405   3.939
  306    H    LEU  42           H        LEU  42  -0.621  -9.256   3.463
  307    HA   LEU  42           HA       LEU  42   0.106  -7.591   5.828
  308    HB2  LEU  42           2HB      LEU  42   1.184 -10.055   4.464
  309    HB3  LEU  42           3HB      LEU  42   2.356  -9.033   5.269
  310    HG   LEU  42           HG       LEU  42   1.618 -10.865   6.672
  311   HD11  LEU  42          1HD1      LEU  42   1.167  -9.615   8.716
  312   HD12  LEU  42          2HD1      LEU  42   2.448  -8.890   7.745
  313   HD13  LEU  42          3HD1      LEU  42   0.830  -8.154   7.765
  314   HD21  LEU  42          3HD2      LEU  42  -0.688 -11.084   5.902
  315   HD22  LEU  42          1HD2      LEU  42  -0.609 -10.938   7.665
  316   HD23  LEU  42          2HD2      LEU  42  -1.123  -9.551   6.679
  317    H    PHE  43           H        PHE  43  -0.332  -5.774   4.565
  318    HA   PHE  43           HA       PHE  43   1.550  -5.058   2.439
  319    HB2  PHE  43           2HB      PHE  43  -0.224  -3.887   1.611
  320    HB3  PHE  43           3HB      PHE  43  -1.083  -4.969   2.486
  321    HD1  PHE  43           HD1      PHE  43  -1.379  -4.295   5.203
  322    HD2  PHE  43           HD2      PHE  43  -0.856  -1.542   1.932
  323    HE1  PHE  43           HE1      PHE  43  -2.437  -2.504   6.539
  324    HE2  PHE  43           HE2      PHE  43  -2.026   0.212   3.234
  325    HZ   PHE  43           HZ       PHE  43  -2.780  -0.249   5.540
  326    H    LEU  44           H        LEU  44   1.947  -2.684   2.192
  327    HA   LEU  44           HA       LEU  44   2.457  -1.054   4.600
  328    HB2  LEU  44           2HB      LEU  44   4.553  -2.363   4.003
  329    HB3  LEU  44           3HB      LEU  44   4.565  -1.550   2.449
  330    HG   LEU  44           HG       LEU  44   4.977   0.654   3.616
  331   HD11  LEU  44          1HD1      LEU  44   5.590   0.589   6.025
  332   HD12  LEU  44          2HD1      LEU  44   3.885   0.236   5.771
  333   HD13  LEU  44          3HD1      LEU  44   5.015  -1.089   6.125
  334   HD21  LEU  44          3HD2      LEU  44   7.249   0.153   4.331
  335   HD22  LEU  44          1HD2      LEU  44   6.869  -1.583   4.444
  336   HD23  LEU  44          2HD2      LEU  44   6.855  -0.761   2.868
  337    H    VAL  45           H        VAL  45   2.805   1.291   3.956
  338    HA   VAL  45           HA       VAL  45   1.633   1.965   1.275
  339    HB   VAL  45           HB       VAL  45   1.275   3.584   3.819
  340   HG11  VAL  45          1HG1      VAL  45   1.342   4.982   1.758
  341   HG12  VAL  45          2HG1      VAL  45   0.147   3.915   0.987
  342   HG13  VAL  45          3HG1      VAL  45  -0.300   4.891   2.399
  343   HG21  VAL  45          3HG2      VAL  45  -1.109   2.971   3.570
  344   HG22  VAL  45          1HG2      VAL  45  -0.690   1.885   2.226
  345   HG23  VAL  45          2HG2      VAL  45  -0.110   1.552   3.879
  346    H    ARG  46           H        ARG  46   3.174   2.615   0.036
  347    HA   ARG  46           HA       ARG  46   5.205   4.686   0.730
  348    HB2  ARG  46           2HB      ARG  46   6.939   3.295   0.982
  349    HB3  ARG  46           3HB      ARG  46   5.868   1.935   1.062
  350    HG2  ARG  46           2HG      ARG  46   7.296   2.980  -1.381
  351    HG3  ARG  46           3HG      ARG  46   7.657   1.522  -0.446
  352    HD2  ARG  46           2HD      ARG  46   5.501   0.538  -1.111
  353    HD3  ARG  46           3HD      ARG  46   5.142   1.964  -2.071
  354    HE   ARG  46           HE       ARG  46   6.304  -0.213  -3.089
  355   HH11  ARG  46          1HH2      ARG  46   7.610   3.121  -3.098
  356   HH12  ARG  46          2HH2      ARG  46   7.911   2.964  -4.814
  357   HH21  ARG  46          2HH1      ARG  46   6.943  -0.266  -5.123
  358   HH22  ARG  46          1HH1      ARG  46   7.737   1.123  -5.847
  359    H    GLU  47           H        GLU  47   6.309   5.443  -1.128
  360    HA   GLU  47           HA       GLU  47   4.923   4.720  -3.625
  361    HB2  GLU  47           2HB      GLU  47   4.013   6.912  -4.052
  362    HB3  GLU  47           3HB      GLU  47   3.586   6.562  -2.381
  363    HG2  GLU  47           2HG      GLU  47   5.688   7.928  -1.716
  364    HG3  GLU  47           3HG      GLU  47   5.728   8.463  -3.401
  365    HE2  GLU  47           2HE      GLU  47   3.800  11.060  -2.208
  366    H    SER  48           H        SER  48   5.639   6.567  -5.327
  367    HA   SER  48           HA       SER  48   8.436   5.634  -5.618
  368    HB2  SER  48           2HB      SER  48   6.602   5.227  -7.275
  369    HB3  SER  48           3HB      SER  48   6.541   6.980  -7.572
  370    HG   SER  48           HG       SER  48   8.331   5.056  -8.301
  371    H    GLN  49           H        GLN  49  10.106   7.042  -5.689
  372    HA   GLN  49           HA       GLN  49   9.506   9.960  -5.582
  373    HB2  GLN  49           2HB      GLN  49  11.326  10.388  -4.337
  374    HB3  GLN  49           3HB      GLN  49  10.743   8.880  -3.653
  375    HG2  GLN  49           2HG      GLN  49  13.146   9.002  -3.664
  376    HG3  GLN  49           3HG      GLN  49  12.587   7.658  -4.611
  377   HE21  GLN  49          1HE2      GLN  49  13.087   7.574  -6.875
  378   HE22  GLN  49          2HE2      GLN  49  14.184   8.750  -7.585
  379    H    ARG  50           H        ARG  50   9.748   7.780  -7.841
  380    HA   ARG  50           HA       ARG  50  11.087   9.509  -9.867
  381    HB2  ARG  50           2HB      ARG  50  11.483   7.506 -11.216
  382    HB3  ARG  50           3HB      ARG  50  12.326   7.444  -9.671
  383    HG2  ARG  50           2HG      ARG  50  10.679   5.893  -8.770
  384    HG3  ARG  50           3HG      ARG  50   9.696   6.026 -10.246
  385    HD2  ARG  50           2HD      ARG  50  11.431   4.908 -11.534
  386    HD3  ARG  50           3HD      ARG  50  12.432   4.764 -10.069
  387    HE   ARG  50           HE       ARG  50   9.765   3.701  -9.607
  388   HH11  ARG  50          1HH2      ARG  50  12.650   2.677 -11.376
  389   HH12  ARG  50          2HH2      ARG  50  12.252   0.978 -11.111
  390   HH21  ARG  50          1HH1      ARG  50   9.496   1.586  -9.192
  391   HH22  ARG  50          2HH1      ARG  50  10.540   0.407  -9.975
  392    H    ASN  51           H        ASN  51   8.146   7.381  -9.393
  393    HA   ASN  51           HA       ASN  51   7.068   8.142 -11.911
  394    HB2  ASN  51           2HB      ASN  51   6.033   6.550  -9.650
  395    HB3  ASN  51           3HB      ASN  51   4.890   7.189 -10.829
  396   HD21  ASN  51          2HD2      ASN  51   7.490   4.876 -10.349
  397   HD22  ASN  51          1HD2      ASN  51   7.521   4.344 -12.017
  398    HA   PRO  52           HA       PRO  52   5.704  12.193 -10.451
  399    HB2  PRO  52           2HB      PRO  52   3.989  12.254 -12.929
  400    HB3  PRO  52           3HB      PRO  52   5.139  13.483 -12.318
  401    HG2  PRO  52           2HG      PRO  52   5.858  11.870 -14.356
  402    HG3  PRO  52           3HG      PRO  52   7.018  12.171 -13.017
  403    HD2  PRO  52           2HD      PRO  52   5.175   9.788 -13.399
  404    HD3  PRO  52           3HD      PRO  52   6.924   9.829 -13.029
  405    H    GLN  53           H        GLN  53   3.221   9.852 -11.242
  406    HA   GLN  53           HA       GLN  53   1.049  11.323  -9.757
  407    HB2  GLN  53           2HB      GLN  53   0.940   9.235 -11.945
  408    HB3  GLN  53           3HB      GLN  53  -0.458   9.883 -11.071
  409    HG2  GLN  53           2HG      GLN  53   0.086  12.170 -11.838
  410    HG3  GLN  53           3HG      GLN  53   1.463  11.553 -12.752
  411   HE21  GLN  53          2HE2      GLN  53  -0.293  13.001 -14.196
  412   HE22  GLN  53          1HE2      GLN  53  -1.276  11.941 -15.197
  413    H    GLY  54           H        GLY  54   3.302   9.613  -8.562
  414    HA2  GLY  54           2HA      GLY  54   1.869   7.184  -7.784
  415    HA3  GLY  54           3HA      GLY  54   3.536   7.530  -7.510
  416    H    PHE  55           H        PHE  55   1.106   6.718  -6.204
  417    HA   PHE  55           HA       PHE  55   1.785   7.143  -3.358
  418    HB2  PHE  55           2HB      PHE  55  -1.101   7.241  -4.337
  419    HB3  PHE  55           3HB      PHE  55  -0.486   7.591  -2.733
  420    HD1  PHE  55           HD1      PHE  55  -0.918   8.850  -6.198
  421    HD2  PHE  55           HD2      PHE  55   0.355   9.854  -2.200
  422    HE1  PHE  55           HE1      PHE  55  -0.838  11.248  -6.831
  423    HE2  PHE  55           HE2      PHE  55   0.384  12.260  -2.820
  424    HZ   PHE  55           HZ       PHE  55  -0.204  12.962  -5.134
  425    H    VAL  56           H        VAL  56   2.045   4.798  -2.724
  426    HA   VAL  56           HA       VAL  56   0.446   2.934  -4.407
  427    HB   VAL  56           HB       VAL  56   2.019   1.853  -5.394
  428   HG11  VAL  56          1HG1      VAL  56   3.901   2.932  -5.916
  429   HG12  VAL  56          2HG1      VAL  56   3.354   4.241  -4.944
  430   HG13  VAL  56          3HG1      VAL  56   4.463   2.972  -4.289
  431   HG21  VAL  56          3HG2      VAL  56   3.226   1.459  -2.653
  432   HG22  VAL  56          1HG2      VAL  56   2.326   0.307  -3.649
  433   HG23  VAL  56          2HG2      VAL  56   3.948   0.814  -4.122
  434    H    LEU  57           H        LEU  57  -0.513   1.308  -3.620
  435    HA   LEU  57           HA       LEU  57  -0.396   0.748  -0.693
  436    HB2  LEU  57           2HB      LEU  57  -2.610   1.227  -1.958
  437    HB3  LEU  57           3HB      LEU  57  -2.372  -0.327  -2.760
  438    HG   LEU  57           HG       LEU  57  -2.665   0.123   0.243
  439   HD11  LEU  57          1HD1      LEU  57  -4.835  -1.009  -0.065
  440   HD12  LEU  57          2HD1      LEU  57  -4.750   0.451  -1.060
  441   HD13  LEU  57          3HD1      LEU  57  -4.536  -1.146  -1.813
  442   HD21  LEU  57          3HD2      LEU  57  -1.279  -1.871  -0.131
  443   HD22  LEU  57          1HD2      LEU  57  -2.900  -2.355   0.346
  444   HD23  LEU  57          2HD2      LEU  57  -2.417  -2.455  -1.367
  445    H    SER  58           H        SER  58   0.744  -1.281  -0.179
  446    HA   SER  58           HA       SER  58   1.756  -2.785  -2.558
  447    HB2  SER  58           2HB      SER  58   4.014  -2.862  -1.497
  448    HB3  SER  58           3HB      SER  58   3.525  -1.294  -2.161
  449    HG   SER  58           HG       SER  58   2.684  -1.173   0.259
  450    H    LEU  59           H        LEU  59   1.000  -4.740  -2.319
  451    HA   LEU  59           HA       LEU  59   0.196  -5.728   0.377
  452    HB2  LEU  59           2HB      LEU  59  -0.307  -6.786  -2.442
  453    HB3  LEU  59           3HB      LEU  59  -1.027  -7.434  -0.976
  454    HG   LEU  59           HG       LEU  59  -1.586  -4.680  -2.143
  455   HD11  LEU  59          1HD1      LEU  59  -3.798  -5.662  -2.613
  456   HD12  LEU  59          2HD1      LEU  59  -2.505  -6.586  -3.431
  457   HD13  LEU  59          3HD1      LEU  59  -3.259  -7.216  -1.944
  458   HD21  LEU  59          3HD2      LEU  59  -3.451  -4.649  -0.515
  459   HD22  LEU  59          1HD2      LEU  59  -2.823  -6.139   0.242
  460   HD23  LEU  59          2HD2      LEU  59  -1.881  -4.625   0.288
  461    H    CYS  60           H        CYS  60   0.313  -8.170   0.557
  462    HA   CYS  60           HA       CYS  60   2.915  -9.275  -0.394
  463    HB2  CYS  60           2HB      CYS  60   3.513  -8.512   1.917
  464    HB3  CYS  60           3HB      CYS  60   2.121  -9.427   2.536
  465    HG   CYS  60           HG       CYS  60   4.864 -10.444   0.973
  466    H    HIS  61           H        HIS  61   1.882 -10.500  -1.785
  467    HA   HIS  61           HA       HIS  61  -0.618 -11.682  -0.895
  468    HB2  HIS  61           2HB      HIS  61  -1.243 -10.665  -2.676
  469    HB3  HIS  61           3HB      HIS  61   0.364 -10.454  -3.219
  470    HD2  HIS  61           HD2      HIS  61  -2.657 -12.391  -4.197
  471    HE1  HIS  61           HE1      HIS  61   0.514 -13.996  -6.533
  472    HE2  HIS  61           HE2      HIS  61  -2.006 -13.948  -6.208
  473    H    LEU  62           H        LEU  62  -0.615 -13.737  -2.781
  474    HA   LEU  62           HA       LEU  62   1.199 -15.684  -1.353
  475    HB2  LEU  62           2HB      LEU  62  -0.456 -17.200  -0.985
  476    HB3  LEU  62           3HB      LEU  62  -1.464 -15.765  -1.006
  477    HG   LEU  62           HG       LEU  62  -1.105 -17.850  -3.198
  478   HD11  LEU  62          1HD1      LEU  62  -3.552 -16.865  -1.685
  479   HD12  LEU  62          2HD1      LEU  62  -3.512 -18.163  -2.899
  480   HD13  LEU  62          3HD1      LEU  62  -2.666 -18.370  -1.354
  481   HD21  LEU  62          3HD2      LEU  62  -2.752 -16.572  -4.543
  482   HD22  LEU  62          1HD2      LEU  62  -2.619 -15.223  -3.396
  483   HD23  LEU  62          2HD2      LEU  62  -1.214 -15.724  -4.365
  484    H    GLN  63           H        GLN  63   1.725 -14.245  -3.654
  485    HA   GLN  63           HA       GLN  63   3.508 -16.337  -4.000
  486    HB2  GLN  63           2HB      GLN  63   2.338 -15.138  -6.612
  487    HB3  GLN  63           3HB      GLN  63   3.604 -16.350  -6.559
  488    HG2  GLN  63           2HG      GLN  63   2.010 -18.014  -5.661
  489    HG3  GLN  63           3HG      GLN  63   0.711 -16.811  -5.743
  490   HE21  GLN  63          2HE2      GLN  63   0.123 -19.036  -7.070
  491   HE22  GLN  63          1HE2      GLN  63   0.343 -18.821  -8.801
  492    H    LYS  64           H        LYS  64   2.757 -12.974  -4.630
  493    HA   LYS  64           HA       LYS  64   5.560 -12.460  -4.005
  494    HB2  LYS  64           2HB      LYS  64   6.047 -11.118  -6.003
  495    HB3  LYS  64           3HB      LYS  64   5.441 -12.679  -6.514
  496    HG2  LYS  64           2HG      LYS  64   3.097 -11.529  -6.671
  497    HG3  LYS  64           3HG      LYS  64   3.964 -10.014  -6.480
  498    HD2  LYS  64           2HD      LYS  64   3.642 -10.311  -8.820
  499    HD3  LYS  64           3HD      LYS  64   5.364 -10.533  -8.481
  500    HE2  LYS  64           2HE      LYS  64   5.070 -13.003  -8.575
  501    HE3  LYS  64           3HE      LYS  64   3.338 -12.792  -8.875
  502    HZ1  LYS  64           3HZ      LYS  64   5.503 -11.807 -10.678
  503    HZ2  LYS  64           1HZ      LYS  64   4.600 -13.149 -10.938
  504    HZ3  LYS  64           2HZ      LYS  64   3.896 -11.668 -10.977
  505    H    VAL  65           H        VAL  65   5.900  -9.872  -4.211
  506    HA   VAL  65           HA       VAL  65   3.677  -8.530  -2.734
  507    HB   VAL  65           HB       VAL  65   5.480  -6.754  -2.246
  508   HG11  VAL  65          1HG1      VAL  65   5.573  -9.572  -1.086
  509   HG12  VAL  65          2HG1      VAL  65   6.453  -8.198  -0.388
  510   HG13  VAL  65          3HG1      VAL  65   4.710  -8.145  -0.437
  511   HG21  VAL  65          3HG2      VAL  65   7.351  -8.978  -2.864
  512   HG22  VAL  65          1HG2      VAL  65   7.157  -7.448  -3.807
  513   HG23  VAL  65          2HG2      VAL  65   7.743  -7.402  -2.145
  514    H    LYS  66           H        LYS  66   2.559  -6.947  -3.683
  515    HA   LYS  66           HA       LYS  66   3.414  -5.937  -6.360
  516    HB2  LYS  66           2HB      LYS  66   1.061  -6.294  -7.186
  517    HB3  LYS  66           3HB      LYS  66   2.095  -7.708  -6.986
  518    HG2  LYS  66           2HG      LYS  66   0.915  -8.171  -4.765
  519    HG3  LYS  66           3HG      LYS  66  -0.176  -6.837  -5.149
  520    HD2  LYS  66           2HD      LYS  66  -1.211  -8.934  -5.715
  521    HD3  LYS  66           3HD      LYS  66  -0.880  -8.056  -7.216
  522    HE2  LYS  66           2HE      LYS  66   1.179  -9.481  -7.538
  523    HE3  LYS  66           3HE      LYS  66   0.805 -10.345  -6.036
  524    HZ1  LYS  66           3HZ      LYS  66   0.024 -11.513  -8.085
  525    HZ2  LYS  66           1HZ      LYS  66  -1.208 -11.208  -7.065
  526    HZ3  LYS  66           2HZ      LYS  66  -1.021 -10.299  -8.419
  527    H    HIS  67           H        HIS  67   2.624  -3.957  -7.003
  528    HA   HIS  67           HA       HIS  67   1.813  -2.205  -4.723
  529    HB2  HIS  67           2HB      HIS  67   3.727  -1.673  -6.997
  530    HB3  HIS  67           3HB      HIS  67   3.363  -0.598  -5.668
  531    HD2  HIS  67           HD2      HIS  67   5.052  -4.070  -6.280
  532    HE1  HIS  67           HE1      HIS  67   6.906  -2.373  -2.857
  533    HE2  HIS  67           HE2      HIS  67   6.973  -4.291  -4.502
  534    H    TYR  68           H        TYR  68   0.709  -0.209  -5.207
  535    HA   TYR  68           HA       TYR  68  -1.010  -0.231  -7.682
  536    HB2  TYR  68           2HB      TYR  68  -1.609   0.288  -4.764
  537    HB3  TYR  68           3HB      TYR  68  -2.715   0.718  -6.027
  538    HD1  TYR  68           HD1      TYR  68  -0.880  -2.467  -4.998
  539    HD2  TYR  68           HD2      TYR  68  -4.556  -0.532  -6.134
  540    HE1  TYR  68           HE1      TYR  68  -2.069  -4.600  -4.723
  541    HE2  TYR  68           HE2      TYR  68  -5.775  -2.667  -5.775
  542    HH   TYR  68           HH       TYR  68  -4.092  -5.669  -4.845
  543    H    LEU  69           H        LEU  69   0.450   1.620  -8.686
  544    HA   LEU  69           HA       LEU  69  -0.273   4.282  -7.438
  545    HB2  LEU  69           2HB      LEU  69   1.835   5.015  -7.276
  546    HB3  LEU  69           3HB      LEU  69   2.090   3.296  -7.062
  547    HG   LEU  69           HG       LEU  69   3.310   3.054  -8.853
  548   HD11  LEU  69          1HD1      LEU  69   2.708   5.500 -10.434
  549   HD12  LEU  69          2HD1      LEU  69   3.884   4.232 -10.774
  550   HD13  LEU  69          3HD1      LEU  69   2.189   3.826 -10.821
  551   HD21  LEU  69          3HD2      LEU  69   4.295   4.721  -7.207
  552   HD22  LEU  69          1HD2      LEU  69   5.102   4.484  -8.761
  553   HD23  LEU  69          2HD2      LEU  69   4.077   5.894  -8.533
  554    H    ILE  70           H        ILE  70  -1.159   3.135 -10.270
  555    HA   ILE  70           HA       ILE  70   0.211   5.169 -11.881
  556    HB   ILE  70           HB       ILE  70  -1.863   3.296 -12.974
  557   HG12  ILE  70          2HG1      ILE  70   1.026   2.416 -12.534
  558   HG13  ILE  70          3HG1      ILE  70  -0.262   1.950 -11.427
  559   HG21  ILE  70          1HG2      ILE  70   0.783   4.422 -14.023
  560   HG22  ILE  70          2HG2      ILE  70  -0.189   3.248 -14.907
  561   HG23  ILE  70          3HG2      ILE  70  -0.839   4.835 -14.606
  562   HD11  ILE  70          3HD1      ILE  70   0.112   0.139 -12.849
  563   HD12  ILE  70          1HD1      ILE  70  -1.490   0.840 -13.040
  564   HD13  ILE  70          2HD1      ILE  70  -0.257   1.194 -14.264
  565    H    LEU  71           H        LEU  71  -2.465   5.711 -10.021
  566    HA   LEU  71           HA       LEU  71  -3.212   7.891 -11.872
  567    HB2  LEU  71           2HB      LEU  71  -5.298   6.330 -10.313
  568    HB3  LEU  71           3HB      LEU  71  -5.606   7.563 -11.524
  569    HG   LEU  71           HG       LEU  71  -4.386   4.818 -12.133
  570   HD11  LEU  71          1HD1      LEU  71  -6.602   4.517 -11.204
  571   HD12  LEU  71          2HD1      LEU  71  -7.275   5.691 -12.367
  572   HD13  LEU  71          3HD1      LEU  71  -6.587   4.152 -12.932
  573   HD21  LEU  71          3HD2      LEU  71  -4.116   6.723 -13.882
  574   HD22  LEU  71          1HD2      LEU  71  -4.814   5.188 -14.412
  575   HD23  LEU  71          2HD2      LEU  71  -5.862   6.605 -14.091
  576    HA   PRO  72           HA       PRO  72  -2.921  10.224  -8.043
  577    HB2  PRO  72           2HB      PRO  72  -3.259  12.717  -8.996
  578    HB3  PRO  72           3HB      PRO  72  -1.876  11.725  -9.547
  579    HG2  PRO  72           2HG      PRO  72  -4.550  12.127 -10.942
  580    HG3  PRO  72           3HG      PRO  72  -2.904  12.306 -11.636
  581    HD2  PRO  72           2HD      PRO  72  -4.421   9.989 -11.820
  582    HD3  PRO  72           3HD      PRO  72  -2.635   9.999 -11.816
  583    H    SER  73           H        SER  73  -4.416  12.159  -7.025
  584    HA   SER  73           HA       SER  73  -7.046  11.115  -6.615
  585    HB2  SER  73           2HB      SER  73  -5.973  13.908  -6.072
  586    HB3  SER  73           3HB      SER  73  -7.507  13.258  -5.456
  587    HG   SER  73           HG       SER  73  -5.714  13.071  -3.980
  588    H    GLU  74           H        GLU  74  -9.115  11.863  -7.266
  589    HA   GLU  74           HA       GLU  74  -9.193  13.599  -9.719
  590    HB2  GLU  74           2HB      GLU  74 -10.706  10.996  -9.257
  591    HB3  GLU  74           3HB      GLU  74 -10.933  12.095 -10.621
  592    HG2  GLU  74           2HG      GLU  74  -8.523  11.762 -11.263
  593    HG3  GLU  74           3HG      GLU  74  -8.394  10.541 -10.001
  594    HE2  GLU  74           2HE      GLU  74  -9.086   8.483 -12.713
  595    H    GLU  75           H        GLU  75 -11.722  14.014 -10.202
  596    HA   GLU  75           HA       GLU  75 -12.648  15.518  -7.820
  597    HB2  GLU  75           2HB      GLU  75 -13.474  15.614 -10.744
  598    HB3  GLU  75           3HB      GLU  75 -14.058  16.702  -9.489
  599    HG2  GLU  75           2HG      GLU  75 -11.168  16.466 -10.435
  600    HG3  GLU  75           3HG      GLU  75 -12.303  17.737 -10.864
  601    H    GLU  76           H        GLU  76 -13.471  12.568  -9.303
  602    HA   GLU  76           HA       GLU  76 -16.250  12.566  -8.209
  603    HB2  GLU  76           2HB      GLU  76 -16.528  10.479  -9.428
  604    HB3  GLU  76           3HB      GLU  76 -16.002  11.769 -10.507
  605    HG2  GLU  76           2HG      GLU  76 -13.843  10.846 -10.779
  606    HG3  GLU  76           3HG      GLU  76 -13.943   9.920  -9.289
  607    H    GLY  77           H        GLY  77 -13.281  12.064  -6.928
  608    HA2  GLY  77           2HA      GLY  77 -14.149  10.280  -4.794
  609    HA3  GLY  77           3HA      GLY  77 -12.994   9.532  -5.904
  610    H    ARG  78           H        ARG  78 -11.561   9.318  -4.143
  611    HA   ARG  78           HA       ARG  78 -10.048  11.809  -3.317
  612    HB2  ARG  78           2HB      ARG  78 -10.129   9.139  -1.885
  613    HB3  ARG  78           3HB      ARG  78  -9.368  10.626  -1.330
  614    HG2  ARG  78           2HG      ARG  78 -12.381  10.206  -1.573
  615    HG3  ARG  78           3HG      ARG  78 -11.439   9.953  -0.117
  616    HD2  ARG  78           2HD      ARG  78 -12.459  12.100   0.070
  617    HD3  ARG  78           3HD      ARG  78 -10.715  12.341  -0.155
  618    HE   ARG  78           HE       ARG  78 -12.065  12.344  -2.685
  619   HH11  ARG  78          1HH2      ARG  78 -11.729  14.488   0.064
  620   HH12  ARG  78          2HH2      ARG  78 -11.889  15.923  -0.911
  621   HH21  ARG  78          1HH1      ARG  78 -12.182  14.150  -3.874
  622   HH22  ARG  78          2HH1      ARG  78 -12.174  15.737  -3.129
  623    H    LEU  79           H        LEU  79  -8.022   9.536  -2.427
  624    HA   LEU  79           HA       LEU  79  -6.228   9.741  -4.665
  625    HB2  LEU  79           2HB      LEU  79  -6.407   7.905  -2.256
  626    HB3  LEU  79           3HB      LEU  79  -5.193   7.647  -3.497
  627    HG   LEU  79           HG       LEU  79  -5.444  10.306  -2.043
  628   HD11  LEU  79          1HD1      LEU  79  -4.988   8.534  -0.394
  629   HD12  LEU  79          2HD1      LEU  79  -3.656   7.918  -1.400
  630   HD13  LEU  79          3HD1      LEU  79  -3.548   9.528  -0.654
  631   HD21  LEU  79          3HD2      LEU  79  -4.160  10.349  -4.182
  632   HD22  LEU  79          1HD2      LEU  79  -3.092  10.568  -2.796
  633   HD23  LEU  79          2HD2      LEU  79  -3.169   8.995  -3.613
  634    H    TYR  80           H        TYR  80  -6.533   8.773  -6.679
  635    HA   TYR  80           HA       TYR  80  -8.663   6.816  -6.873
  636    HB2  TYR  80           2HB      TYR  80  -8.093   8.828  -8.390
  637    HB3  TYR  80           3HB      TYR  80  -7.146   7.648  -9.289
  638    HD1  TYR  80           HD1      TYR  80  -8.395   5.661 -10.309
  639    HD2  TYR  80           HD2      TYR  80 -10.437   8.857  -8.261
  640    HE1  TYR  80           HE1      TYR  80 -10.531   5.013 -11.430
  641    HE2  TYR  80           HE2      TYR  80 -12.551   8.215  -9.373
  642    HH   TYR  80           HH       TYR  80 -13.575   6.854 -10.861
  643    H    PHE  81           H        PHE  81  -8.564   4.725  -7.122
  644    HA   PHE  81           HA       PHE  81  -6.275   3.413  -8.184
  645    HB2  PHE  81           2HB      PHE  81  -7.113   2.390  -5.506
  646    HB3  PHE  81           3HB      PHE  81  -5.782   1.832  -6.484
  647    HD1  PHE  81           HD2      PHE  81  -3.893   3.704  -6.945
  648    HD2  PHE  81           HD1      PHE  81  -6.649   3.732  -3.628
  649    HE1  PHE  81           HE2      PHE  81  -2.331   5.110  -5.644
  650    HE2  PHE  81           HE1      PHE  81  -5.055   5.096  -2.313
  651    HZ   PHE  81           HZ       PHE  81  -2.894   5.801  -3.322
  652    H    SER  82           H        SER  82  -6.256   1.334  -8.669
  653    HA   SER  82           HA       SER  82  -8.712  -0.218  -8.566
  654    HB2  SER  82           2HB      SER  82  -8.917  -0.587 -10.929
  655    HB3  SER  82           3HB      SER  82  -9.021   1.144 -10.585
  656    HG   SER  82           HG       SER  82  -7.683   0.758 -12.346
  657    H    MET  83           H        MET  83  -6.602  -1.699 -10.605
  658    HA   MET  83           HA       MET  83  -5.577  -3.586  -9.806
  659    HB2  MET  83           2HB      MET  83  -8.431  -4.516  -9.424
  660    HB3  MET  83           3HB      MET  83  -6.987  -5.500  -9.311
  661    HG2  MET  83           2HG      MET  83  -6.233  -4.404  -7.356
  662    HG3  MET  83           3HG      MET  83  -7.567  -3.231  -7.431
  663    HE1  MET  83           3HE      MET  83  -8.800  -3.390  -5.404
  664    HE2  MET  83           1HE      MET  83  -9.148  -4.861  -4.478
  665    HE3  MET  83           2HE      MET  83  -7.464  -4.323  -4.691
  666    H    ASP  84           H        ASP  84  -6.292  -5.793 -11.188
  667    HA   ASP  84           HA       ASP  84  -6.603  -4.921 -13.918
  668    HB2  ASP  84           2HB      ASP  84  -5.474  -7.045 -13.283
  669    HB3  ASP  84           3HB      ASP  84  -7.040  -7.716 -12.809
  670    H    ASP  85           H        ASP  85  -8.908  -6.100 -11.450
  671    HA   ASP  85           HA       ASP  85 -11.142  -4.864 -12.946
  672    HB2  ASP  85           2HB      ASP  85 -11.143  -7.274 -13.527
  673    HB3  ASP  85           3HB      ASP  85 -11.201  -7.693 -11.815
  674    H    GLY  86           H        GLY  86 -10.202  -3.324 -11.163
  675    HA2  GLY  86           2HA      GLY  86 -11.714  -3.752  -8.599
  676    HA3  GLY  86           3HA      GLY  86 -10.025  -3.305  -8.563
  677    H    GLN  87           H        GLN  87 -11.621  -1.888  -7.132
  678    HA   GLN  87           HA       GLN  87 -11.903   0.777  -8.442
  679    HB2  GLN  87           2HB      GLN  87 -14.161   0.991  -7.365
  680    HB3  GLN  87           3HB      GLN  87 -14.084  -0.230  -8.624
  681    HG2  GLN  87           2HG      GLN  87 -14.103  -2.041  -7.061
  682    HG3  GLN  87           3HG      GLN  87 -13.740  -0.983  -5.693
  683   HE21  GLN  87          2HE2      GLN  87 -16.258  -1.033  -8.342
  684   HE22  GLN  87          1HE2      GLN  87 -17.580  -0.758  -7.225
  685    H    THR  88           H        THR  88  -9.724   0.152  -6.726
  686    HA   THR  88           HA       THR  88 -10.466   0.936  -4.098
  687    HB   THR  88           HB       THR  88  -7.838   0.725  -3.706
  688    HG1  THR  88           1HG      THR  88  -6.996  -0.638  -5.301
  689   HG21  THR  88          1HG2      THR  88  -9.497  -0.837  -2.836
  690   HG22  THR  88          2HG2      THR  88  -9.743  -1.555  -4.437
  691   HG23  THR  88          3HG2      THR  88  -8.181  -1.758  -3.582
  692    H    ARG  89           H        ARG  89  -9.835   2.854  -6.334
  693    HA   ARG  89           HA       ARG  89  -9.177   5.272  -5.582
  694    HB2  ARG  89           2HB      ARG  89 -11.099   6.241  -6.911
  695    HB3  ARG  89           3HB      ARG  89 -10.311   4.898  -7.705
  696    HG2  ARG  89           2HG      ARG  89 -12.132   3.588  -7.700
  697    HG3  ARG  89           3HG      ARG  89 -12.568   3.974  -6.039
  698    HD2  ARG  89           2HD      ARG  89 -13.119   5.847  -8.365
  699    HD3  ARG  89           3HD      ARG  89 -14.262   4.635  -7.770
  700    HE   ARG  89           HE       ARG  89 -13.444   6.072  -5.511
  701   HH11  ARG  89          1HH2      ARG  89 -14.976   7.217  -8.522
  702   HH12  ARG  89          2HH2      ARG  89 -15.867   8.400  -7.604
  703   HH21  ARG  89          1HH1      ARG  89 -14.876   7.458  -4.516
  704   HH22  ARG  89          2HH1      ARG  89 -15.811   8.551  -5.513
  705    H    PHE  90           H        PHE  90  -9.442   4.793  -3.086
  706    HA   PHE  90           HA       PHE  90 -10.976   7.135  -2.125
  707    HB2  PHE  90           2HB      PHE  90 -11.659   5.761  -0.081
  708    HB3  PHE  90           3HB      PHE  90 -12.525   5.442  -1.565
  709    HD1  PHE  90           HD1      PHE  90  -9.599   4.109   0.430
  710    HD2  PHE  90           HD2      PHE  90 -12.826   3.234  -2.298
  711    HE1  PHE  90           HE1      PHE  90  -9.109   1.690   0.627
  712    HE2  PHE  90           HE2      PHE  90 -12.343   0.813  -2.085
  713    HZ   PHE  90           HZ       PHE  90 -10.482   0.037  -0.615
  714    H    THR  91           H        THR  91 -10.196   7.775   0.134
  715    HA   THR  91           HA       THR  91  -7.311   7.876   0.216
  716    HB   THR  91           HB       THR  91  -9.273   8.475   2.478
  717    HG1  THR  91           1HG      THR  91  -9.035  10.613   1.686
  718   HG21  THR  91          1HG2      THR  91  -7.515  10.068   3.227
  719   HG22  THR  91          2HG2      THR  91  -6.923   8.405   3.264
  720   HG23  THR  91          3HG2      THR  91  -6.440   9.487   1.935
  721    H    ASP  92           H        ASP  92  -5.848   6.484   1.283
  722    HA   ASP  92           HA       ASP  92  -6.912   3.938   2.140
  723    HB2  ASP  92           2HB      ASP  92  -4.835   4.192   0.839
  724    HB3  ASP  92           3HB      ASP  92  -4.065   4.984   2.220
  725    H    LEU  93           H        LEU  93  -5.194   6.547   3.964
  726    HA   LEU  93           HA       LEU  93  -4.981   5.160   6.360
  727    HB2  LEU  93           2HB      LEU  93  -3.814   7.215   5.757
  728    HB3  LEU  93           3HB      LEU  93  -5.280   8.169   5.950
  729    HG   LEU  93           HG       LEU  93  -4.252   6.515   8.286
  730   HD11  LEU  93          1HD1      LEU  93  -2.835   8.405   8.993
  731   HD12  LEU  93          2HD1      LEU  93  -2.277   7.724   7.459
  732   HD13  LEU  93          3HD1      LEU  93  -3.189   9.252   7.468
  733   HD21  LEU  93          3HD2      LEU  93  -5.134   8.423   9.610
  734   HD22  LEU  93          1HD2      LEU  93  -5.613   9.254   8.117
  735   HD23  LEU  93          2HD2      LEU  93  -6.403   7.743   8.604
  736    H    LEU  94           H        LEU  94  -7.768   7.105   5.304
  737    HA   LEU  94           HA       LEU  94  -9.268   6.889   7.762
  738    HB2  LEU  94           2HB      LEU  94 -10.218   7.324   4.897
  739    HB3  LEU  94           3HB      LEU  94 -11.191   7.575   6.342
  740    HG   LEU  94           HG       LEU  94  -8.703   9.165   5.579
  741   HD11  LEU  94          1HD1      LEU  94 -10.280  11.004   5.224
  742   HD12  LEU  94          2HD1      LEU  94 -10.695   9.631   4.185
  743   HD13  LEU  94          3HD1      LEU  94 -11.644   9.949   5.653
  744   HD21  LEU  94          3HD2      LEU  94  -9.368  10.677   7.443
  745   HD22  LEU  94          1HD2      LEU  94 -10.606   9.500   7.940
  746   HD23  LEU  94          2HD2      LEU  94  -8.877   9.085   8.021
  747    H    GLN  95           H        GLN  95  -8.865   4.662   5.050
  748    HA   GLN  95           HA       GLN  95 -10.992   2.849   5.971
  749    HB2  GLN  95           2HB      GLN  95  -9.287   3.277   3.535
  750    HB3  GLN  95           3HB      GLN  95  -9.653   1.624   3.938
  751    HG2  GLN  95           2HG      GLN  95 -11.306   2.575   2.367
  752    HG3  GLN  95           3HG      GLN  95 -12.049   2.037   3.867
  753   HE21  GLN  95          2HE2      GLN  95 -10.521   5.162   2.649
  754   HE22  GLN  95          1HE2      GLN  95 -11.892   6.118   3.202
  755    H    LEU  96           H        LEU  96  -7.510   3.273   6.339
  756    HA   LEU  96           HA       LEU  96  -6.914   0.583   7.018
  757    HB2  LEU  96           2HB      LEU  96  -5.378   2.542   6.364
  758    HB3  LEU  96           3HB      LEU  96  -5.449   3.056   8.043
  759    HG   LEU  96           HG       LEU  96  -4.396   0.390   6.993
  760   HD11  LEU  96          1HD1      LEU  96  -2.940   2.818   8.128
  761   HD12  LEU  96          2HD1      LEU  96  -2.182   1.303   7.595
  762   HD13  LEU  96          3HD1      LEU  96  -2.990   2.343   6.416
  763   HD21  LEU  96          3HD2      LEU  96  -4.391   1.503   9.827
  764   HD22  LEU  96          1HD2      LEU  96  -5.112  -0.028   9.259
  765   HD23  LEU  96          2HD2      LEU  96  -3.371   0.158   9.275
  766    H    VAL  97           H        VAL  97  -7.518   3.366   9.249
  767    HA   VAL  97           HA       VAL  97  -7.161   1.950  11.632
  768    HB   VAL  97           HB       VAL  97  -9.062   4.278  11.175
  769   HG11  VAL  97          1HG1      VAL  97  -9.514   3.215  13.359
  770   HG12  VAL  97          2HG1      VAL  97  -7.776   3.228  13.739
  771   HG13  VAL  97          3HG1      VAL  97  -8.678   4.752  13.588
  772   HG21  VAL  97          3HG2      VAL  97  -6.131   4.189  12.032
  773   HG22  VAL  97          1HG2      VAL  97  -6.751   4.821  10.491
  774   HG23  VAL  97          2HG2      VAL  97  -7.152   5.642  11.997
  775    H    GLU  98           H        GLU  98 -10.422   2.574  10.223
  776    HA   GLU  98           HA       GLU  98 -11.614   0.398  11.846
  777    HB2  GLU  98           2HB      GLU  98 -12.713   2.639  11.412
  778    HB3  GLU  98           3HB      GLU  98 -12.859   2.178   9.721
  779    HG2  GLU  98           2HG      GLU  98 -14.954   1.700  10.647
  780    HG3  GLU  98           3HG      GLU  98 -14.188   0.123  10.529
  781    H    PHE  99           H        PHE  99 -11.553   0.937   8.265
  782    HA   PHE  99           HA       PHE  99 -12.646  -1.683   7.925
  783    HB2  PHE  99           2HB      PHE  99 -11.747   0.322   5.858
  784    HB3  PHE  99           3HB      PHE  99 -12.520  -1.204   5.499
  785    HD1  PHE  99           HD2      PHE  99 -14.840  -1.693   6.264
  786    HD2  PHE  99           HD1      PHE  99 -13.068   2.215   6.707
  787    HE1  PHE  99           HE2      PHE  99 -17.093  -0.710   6.631
  788    HE2  PHE  99           HE1      PHE  99 -15.317   3.193   7.074
  789    HZ   PHE  99           HZ       PHE  99 -17.334   1.735   7.039
  790    H    HIS 100           H        HIS 100  -9.261  -1.159   8.378
  791    HA   HIS 100           HA       HIS 100  -8.220  -3.071   6.602
  792    HB2  HIS 100           2HB      HIS 100  -6.423  -3.493   8.103
  793    HB3  HIS 100           3HB      HIS 100  -6.823  -1.802   8.239
  794    HD1  HIS 100           HD1      HIS 100  -7.900  -1.061  10.662
  795    HD2  HIS 100           HD2      HIS 100  -6.744  -5.099  10.217
  796    HE1  HIS 100           HE1      HIS 100  -7.982  -2.106  13.025
  797    HE2  HIS 100           HE2      HIS 100  -7.248  -4.565  12.741
  798    H    GLN 101           H        GLN 101 -10.221  -3.732   9.392
  799    HA   GLN 101           HA       GLN 101  -9.876  -6.539   9.651
  800    HB2  GLN 101           2HB      GLN 101 -11.862  -6.431  11.007
  801    HB3  GLN 101           3HB      GLN 101 -10.902  -4.986  11.302
  802    HG2  GLN 101           2HG      GLN 101 -12.483  -3.770   9.642
  803    HG3  GLN 101           3HG      GLN 101 -13.490  -5.201   9.682
  804   HE21  GLN 101          1HE2      GLN 101 -12.496  -2.308  11.517
  805   HE22  GLN 101          2HE2      GLN 101 -13.620  -2.588  12.828
  806    H    LEU 102           H        LEU 102 -11.830  -4.699   7.384
  807    HA   LEU 102           HA       LEU 102 -12.647  -7.049   5.855
  808    HB2  LEU 102           2HB      LEU 102 -14.297  -6.685   7.794
  809    HB3  LEU 102           3HB      LEU 102 -14.779  -5.187   7.015
  810    HG   LEU 102           HG       LEU 102 -14.943  -7.983   5.777
  811   HD11  LEU 102          1HD1      LEU 102 -17.121  -6.245   7.015
  812   HD12  LEU 102          2HD1      LEU 102 -17.362  -7.816   6.214
  813   HD13  LEU 102          3HD1      LEU 102 -16.441  -7.727   7.723
  814   HD21  LEU 102          3HD2      LEU 102 -16.052  -5.296   4.893
  815   HD22  LEU 102          1HD2      LEU 102 -14.870  -6.306   4.025
  816   HD23  LEU 102          2HD2      LEU 102 -16.540  -6.860   4.185
  817    H    ASN 103           H        ASN 103 -11.011  -5.895   4.611
  818    HA   ASN 103           HA       ASN 103 -11.784  -3.250   3.484
  819    HB2  ASN 103           2HB      ASN 103  -9.548  -3.896   4.825
  820    HB3  ASN 103           3HB      ASN 103  -9.059  -4.533   3.285
  821   HD21  ASN 103          2HD2      ASN 103  -7.375  -2.774   3.891
  822   HD22  ASN 103          1HD2      ASN 103  -7.717  -1.154   3.288
  823    H    ARG 104           H        ARG 104 -10.283  -3.051   1.327
  824    HA   ARG 104           HA       ARG 104 -11.184  -5.092  -0.672
  825    HB2  ARG 104           2HB      ARG 104 -10.134  -2.270  -1.116
  826    HB3  ARG 104           3HB      ARG 104 -10.855  -3.341  -2.318
  827    HG2  ARG 104           2HG      ARG 104 -12.230  -1.922  -0.000
  828    HG3  ARG 104           3HG      ARG 104 -12.441  -1.643  -1.725
  829    HD2  ARG 104           2HD      ARG 104 -13.394  -4.001  -1.906
  830    HD3  ARG 104           3HD      ARG 104 -13.287  -4.101  -0.149
  831    HE   ARG 104           HE       ARG 104 -15.112  -2.706   0.090
  832   HH11  ARG 104          1HH1      ARG 104 -14.216  -2.599  -3.299
  833   HH12  ARG 104          2HH1      ARG 104 -15.605  -1.623  -3.728
  834   HH21  ARG 104          1HH2      ARG 104 -16.892  -1.520  -0.549
  835   HH22  ARG 104          2HH2      ARG 104 -17.086  -1.088  -2.223
  836    H    GLY 105           H        GLY 105  -9.538  -6.522   0.211
  837    HA2  GLY 105           2HA      GLY 105  -6.690  -6.110  -0.139
  838    HA3  GLY 105           3HA      GLY 105  -7.480  -7.639   0.074
  839    H    ILE 106           H        ILE 106  -6.046  -8.544  -1.487
  840    HA   ILE 106           HA       ILE 106  -5.538  -7.488  -4.083
  841    HB   ILE 106           HB       ILE 106  -4.300  -9.175  -2.563
  842   HG12  ILE 106          2HG1      ILE 106  -3.331  -8.369  -4.619
  843   HG13  ILE 106          3HG1      ILE 106  -2.895 -10.001  -4.179
  844   HG21  ILE 106          1HG2      ILE 106  -5.942 -11.183  -4.127
  845   HG22  ILE 106          2HG2      ILE 106  -4.531 -11.535  -3.122
  846   HG23  ILE 106          3HG2      ILE 106  -6.004 -10.873  -2.383
  847   HD11  ILE 106          3HD1      ILE 106  -4.453  -9.052  -6.553
  848   HD12  ILE 106          1HD1      ILE 106  -3.096 -10.154  -6.466
  849   HD13  ILE 106          2HD1      ILE 106  -4.681 -10.733  -5.968
  850    H    LEU 107           H        LEU 107  -6.099  -8.271  -6.220
  851    HA   LEU 107           HA       LEU 107  -8.496  -8.411  -7.224
  852    HB2  LEU 107           2HB      LEU 107  -6.068  -9.966  -7.972
  853    HB3  LEU 107           3HB      LEU 107  -7.572 -10.361  -8.801
  854    HG   LEU 107           HG       LEU 107  -6.441  -7.549  -8.714
  855   HD11  LEU 107          1HD1      LEU 107  -6.188  -9.671 -10.878
  856   HD12  LEU 107          2HD1      LEU 107  -5.572  -8.002 -10.939
  857   HD13  LEU 107          3HD1      LEU 107  -4.877  -9.149  -9.797
  858   HD21  LEU 107          3HD2      LEU 107  -8.575  -8.944 -10.402
  859   HD22  LEU 107          1HD2      LEU 107  -8.850  -7.631  -9.232
  860   HD23  LEU 107          2HD2      LEU 107  -7.929  -7.331 -10.713
  861    HA   PRO 108           HA       PRO 108 -10.365 -12.434  -6.054
  862    HB2  PRO 108           2HB      PRO 108  -9.416 -14.808  -6.723
  863    HB3  PRO 108           3HB      PRO 108  -9.485 -13.500  -7.944
  864    HG2  PRO 108           2HG      PRO 108  -7.090 -14.501  -6.404
  865    HG3  PRO 108           3HG      PRO 108  -7.200 -14.007  -8.114
  866    HD2  PRO 108           2HD      PRO 108  -6.406 -12.389  -5.889
  867    HD3  PRO 108           3HD      PRO 108  -6.697 -11.896  -7.559
  868    H    CYS 109           H        CYS 109  -7.290 -12.905  -4.226
  869    HA   CYS 109           HA       CYS 109  -8.367 -14.921  -2.494
  870    HB2  CYS 109           2HB      CYS 109  -5.743 -13.376  -2.626
  871    HB3  CYS 109           3HB      CYS 109  -6.065 -14.798  -1.667
  872    HG   CYS 109           HG       CYS 109  -6.629 -16.435  -3.592
  873    H    LEU 110           H        LEU 110  -6.695 -13.740  -0.194
  874    HA   LEU 110           HA       LEU 110  -8.907 -13.022   1.390
  875    HB2  LEU 110           2HB      LEU 110  -5.911 -12.871   1.798
  876    HB3  LEU 110           3HB      LEU 110  -6.980 -12.182   2.992
  877    HG   LEU 110           HG       LEU 110  -6.230 -14.415   3.599
  878   HD11  LEU 110          1HD1      LEU 110  -9.229 -14.400   3.085
  879   HD12  LEU 110          2HD1      LEU 110  -8.348 -15.324   4.310
  880   HD13  LEU 110          3HD1      LEU 110  -8.408 -13.559   4.423
  881   HD21  LEU 110          3HD2      LEU 110  -6.109 -15.456   1.349
  882   HD22  LEU 110          1HD2      LEU 110  -7.001 -16.431   2.524
  883   HD23  LEU 110          2HD2      LEU 110  -7.890 -15.510   1.299
  884    H    LEU 111           H        LEU 111  -9.738 -11.246   2.239
  885    HA   LEU 111           HA       LEU 111  -9.153  -8.719   0.844
  886    HB2  LEU 111           2HB      LEU 111 -11.400  -8.149   1.043
  887    HB3  LEU 111           3HB      LEU 111 -11.270  -9.771   0.439
  888    HG   LEU 111           HG       LEU 111 -13.176  -9.586   1.824
  889   HD11  LEU 111          1HD1      LEU 111 -11.931 -11.735   1.987
  890   HD12  LEU 111          2HD1      LEU 111 -11.197 -11.151   3.513
  891   HD13  LEU 111          3HD1      LEU 111 -12.945 -11.372   3.387
  892   HD21  LEU 111          3HD2      LEU 111 -13.267  -9.014   4.129
  893   HD22  LEU 111          1HD2      LEU 111 -11.512  -8.841   4.249
  894   HD23  LEU 111          2HD2      LEU 111 -12.462  -7.696   3.269
  895    H    ARG 112           H        ARG 112  -8.487  -9.822   3.942
  896    HA   ARG 112           HA       ARG 112  -8.731  -7.073   5.125
  897    HB2  ARG 112           2HB      ARG 112  -8.778  -8.081   7.304
  898    HB3  ARG 112           3HB      ARG 112 -10.049  -8.752   6.284
  899    HG2  ARG 112           2HG      ARG 112  -8.662 -10.805   5.934
  900    HG3  ARG 112           3HG      ARG 112  -7.414 -10.119   6.999
  901    HD2  ARG 112           2HD      ARG 112  -9.066  -9.999   8.845
  902    HD3  ARG 112           3HD      ARG 112 -10.302 -10.697   7.776
  903    HE   ARG 112           HE       ARG 112  -8.014 -12.421   7.838
  904   HH11  ARG 112          1HH1      ARG 112 -10.657 -11.487   9.936
  905   HH12  ARG 112          2HH1      ARG 112 -10.620 -12.988  10.820
  906   HH21  ARG 112          1HH2      ARG 112  -8.019 -14.330   9.001
  907   HH22  ARG 112          2HH2      ARG 112  -9.156 -14.554  10.293
  908    H    HIS 113           H        HIS 113  -7.065  -6.141   6.266
  909    HA   HIS 113           HA       HIS 113  -4.330  -7.076   5.438
  910    HB2  HIS 113           2HB      HIS 113  -5.234  -4.232   5.991
  911    HB3  HIS 113           3HB      HIS 113  -3.665  -4.757   5.445
  912    HD2  HIS 113           HD2      HIS 113  -3.263  -4.976   2.898
  913    HE1  HIS 113           HE1      HIS 113  -7.245  -4.314   1.551
  914    HE2  HIS 113           HE2      HIS 113  -4.823  -4.560   0.818
  915    H    CYS 114           H        CYS 114  -2.572  -6.654   6.646
  916    HA   CYS 114           HA       CYS 114  -2.810  -6.129   9.534
  917    HB2  CYS 114           2HB      CYS 114  -1.178  -8.522   8.785
  918    HB3  CYS 114           3HB      CYS 114  -2.107  -8.154  10.227
  919    HG   CYS 114           HG       CYS 114  -4.474  -8.573   9.200
  920    H    CYS 115           H        CYS 115  -0.315  -6.394  10.419
  921    HA   CYS 115           HA       CYS 115   1.176  -4.433   8.753
  922    HB2  CYS 115           2HB      CYS 115   1.258  -5.143  11.702
  923    HB3  CYS 115           3HB      CYS 115   2.416  -4.045  10.938
  924    HG   CYS 115           HG       CYS 115   0.750  -2.325  10.015
  925    H    THR 116           H        THR 116   2.936  -4.902   7.672
  926    HA   THR 116           HA       THR 116   4.283  -7.533   8.005
  927    HB   THR 116           HB       THR 116   3.099  -6.799   5.910
  928    HG1  THR 116           1HG      THR 116   4.629  -7.821   4.667
  929   HG21  THR 116          1HG2      THR 116   4.181  -5.416   4.301
  930   HG22  THR 116          2HG2      THR 116   4.200  -4.473   5.802
  931   HG23  THR 116          3HG2      THR 116   5.664  -5.307   5.256
  932    H    ARG 117           H        ARG 117   6.645  -7.345   6.835
  933    HA   ARG 117           HA       ARG 117   8.362  -6.024   8.780
  934    HB2  ARG 117           2HB      ARG 117   9.000  -7.311   6.088
  935    HB3  ARG 117           3HB      ARG 117  10.195  -6.760   7.270
  936    HG2  ARG 117           2HG      ARG 117   9.264  -8.369   8.945
  937    HG3  ARG 117           3HG      ARG 117   8.109  -8.941   7.734
  938    HD2  ARG 117           2HD      ARG 117   9.921 -10.510   7.766
  939    HD3  ARG 117           3HD      ARG 117  10.007  -9.611   6.259
  940    HE   ARG 117           HE       ARG 117  12.021  -8.654   6.902
  941   HH11  ARG 117          1HH1      ARG 117  10.737 -10.294   9.727
  942   HH12  ARG 117          2HH1      ARG 117  12.230 -10.133  10.609
  943   HH21  ARG 117          1HH2      ARG 117  13.885  -8.474   8.089
  944   HH22  ARG 117          2HH2      ARG 117  13.964  -9.125   9.697
  945    H    VAL 118           H        VAL 118   9.200  -4.037   8.765
  946    HA   VAL 118           HA       VAL 118   8.274  -2.112   6.789
  947    HB   VAL 118           HB       VAL 118   9.435  -0.424   8.165
  948   HG11  VAL 118          1HG1      VAL 118   7.101  -1.072   8.611
  949   HG12  VAL 118          2HG1      VAL 118   7.653  -2.314   9.753
  950   HG13  VAL 118          3HG1      VAL 118   7.950  -0.596  10.091
  951   HG21  VAL 118          3HG2      VAL 118  10.146  -2.713  10.052
  952   HG22  VAL 118          1HG2      VAL 118  11.308  -1.815   9.054
  953   HG23  VAL 118          2HG2      VAL 118  10.399  -0.982  10.323
  954    H    ALA 119           H        ALA 119   9.555  -0.559   5.651
  955    HA   ALA 119           HA       ALA 119  11.796  -1.763   4.242
  956    HB1  ALA 119           3HB      ALA 119  11.572   0.240   2.815
  957    HB2  ALA 119           1HB      ALA 119  10.012  -0.556   3.078
  958    HB3  ALA 119           2HB      ALA 119  10.413   0.936   3.962
  959    H    LEU 120           H        LEU 120  11.861  -0.285   7.163
  960    HA   LEU 120           HA       LEU 120  14.024   1.622   6.937
  961    HB2  LEU 120           2HB      LEU 120  12.912   0.158   9.367
  962    HB3  LEU 120           3HB      LEU 120  13.990   1.541   9.410
  963    HG   LEU 120           HG       LEU 120  11.129   1.575   8.352
  964   HD11  LEU 120          1HD1      LEU 120  12.350   2.730  10.893
  965   HD12  LEU 120          2HD1      LEU 120  10.661   2.895  10.365
  966   HD13  LEU 120          3HD1      LEU 120  11.296   1.302  10.800
  967   HD21  LEU 120          3HD2      LEU 120  11.406   4.039   8.345
  968   HD22  LEU 120          1HD2      LEU 120  13.124   3.848   8.764
  969   HD23  LEU 120          2HD2      LEU 120  12.509   3.265   7.203
  970    H2   PRO1135           H2       PRO1135   7.459  -8.040 -11.249
  971    H3   PRO1135           H3       PRO1135   7.210  -6.507 -11.859
  972    HA   PRO1135           HA       PRO1135   6.826  -7.233 -13.988
  973    HB2  PRO1135           2HB      PRO1135   7.806 -10.025 -13.738
  974    HB3  PRO1135           3HB      PRO1135   8.169  -8.764 -14.949
  975    HG2  PRO1135           2HG      PRO1135   9.592  -9.438 -12.414
  976    HG3  PRO1135           3HG      PRO1135  10.205  -8.506 -13.816
  977    HD2  PRO1135           2HD      PRO1135   9.650  -7.247 -11.495
  978    HD3  PRO1135           3HD      PRO1135   9.200  -6.506 -13.057
  979    H    GLN1136           H        GLN1136   4.830  -7.759 -14.557
  980    HA   GLN1136           HA       GLN1136   2.639  -8.295 -14.301
  981    HB2  GLN1136           2HB      GLN1136   2.268 -10.646 -14.910
  982    HB3  GLN1136           3HB      GLN1136   3.371  -9.722 -15.921
  983    HG2  GLN1136           2HG      GLN1136   5.317 -10.850 -14.931
  984    HG3  GLN1136           3HG      GLN1136   4.273 -11.758 -13.838
  985   HE21  GLN1136          2HE2      GLN1136   5.832 -13.375 -15.217
  986   HE22  GLN1136          1HE2      GLN1136   4.988 -14.091 -16.583
  987    HA   PRO1137           HA       PRO1137   1.383  -7.044 -13.245
  988    HB2  PRO1137           2HB      PRO1137   0.062  -5.857 -11.237
  989    HB3  PRO1137           3HB      PRO1137  -0.588  -7.310 -12.040
  990    HG2  PRO1137           2HG      PRO1137   1.028  -7.203  -9.468
  991    HG3  PRO1137           3HG      PRO1137  -0.578  -7.964  -9.730
  992    HD2  PRO1137           2HD      PRO1137   1.762  -9.381  -9.907
  993    HD3  PRO1137           3HD      PRO1137   0.364  -9.736 -10.967
  994    H    GLU1138           H        GLU1138   1.539  -4.605 -12.067
  995    HA   GLU1138           HA       GLU1138   4.268  -4.345 -10.930
  996    HB2  GLU1138           2HB      GLU1138   4.085  -4.248 -13.599
  997    HB3  GLU1138           3HB      GLU1138   3.592  -2.608 -13.268
  998    HG2  GLU1138           2HG      GLU1138   5.901  -2.445 -13.552
  999    HG3  GLU1138           3HG      GLU1138   5.707  -2.488 -11.798
 1000    H    PTR1139           H        PTR1139   1.896  -1.907 -12.260
 1001    HA   PTR1139           HA       PTR1139   1.626  -0.997  -9.543
 1002    HB2  PTR1139           2HB      PTR1139   2.372   0.733 -11.778
 1003    HB3  PTR1139           3HB      PTR1139   1.493   1.394 -10.400
 1004    HD1  PTR1139           1HD      PTR1139   2.385   0.350  -8.026
 1005    HD2  PTR1139           2HD      PTR1139   4.564   1.516 -11.548
 1006    HE1  PTR1139           1HE      PTR1139   4.288   1.095  -6.631
 1007    HE2  PTR1139           2HE      PTR1139   6.399   2.458 -10.121
 1008    H    VAL1140           H        VAL1140   0.197  -2.431 -10.959
 1009    HA   VAL1140           HA       VAL1140  -1.827  -3.530 -11.209
 1010    HB   VAL1140           HB       VAL1140  -1.955  -2.544  -8.258
 1011   HG11  VAL1140          1HG1      VAL1140  -3.366  -4.592  -7.693
 1012   HG12  VAL1140          2HG1      VAL1140  -4.189  -3.219  -8.402
 1013   HG13  VAL1140          3HG1      VAL1140  -3.789  -4.681  -9.400
 1014   HG21  VAL1140          3HG2      VAL1140  -1.074  -4.736  -7.685
 1015   HG22  VAL1140          1HG2      VAL1140  -1.363  -5.349  -9.331
 1016   HG23  VAL1140          2HG2      VAL1140  -0.102  -4.138  -9.026
 1017    H    ASN1141           H        ASN1141  -2.417  -0.268 -10.716
 1018    HA   ASN1141           HA       ASN1141  -5.207  -0.634 -11.464
 1019    HB2  ASN1141           2HB      ASN1141  -3.407   1.525 -12.518
 1020    HB3  ASN1141           3HB      ASN1141  -5.129   1.588 -12.439
 1021   HD21  ASN1141          1HD2      ASN1141  -2.248   1.315 -10.149
 1022   HD22  ASN1141          2HD2      ASN1141  -3.044   2.366  -8.998
 1023    H    GLN1142           H        GLN1142  -1.954  -0.901 -12.977
 1024    HA   GLN1142           HA       GLN1142  -2.841  -3.008 -14.639
 1025    HB2  GLN1142           2HB      GLN1142  -0.978  -0.578 -15.107
 1026    HB3  GLN1142           3HB      GLN1142  -0.958  -1.849 -16.272
 1027    HG2  GLN1142           2HG      GLN1142  -2.043  -0.144 -17.410
 1028    HG3  GLN1142           3HG      GLN1142  -3.276  -1.330 -17.029
 1029   HE21  GLN1142          2HE2      GLN1142  -1.983   1.862 -15.655
 1030   HE22  GLN1142          1HE2      GLN1142  -3.605   2.411 -15.326
 1031    HA   PRO1143           HA       PRO1143   1.391  -4.491 -13.989
 1032    HB2  PRO1143           2HB      PRO1143   1.290  -5.286 -16.907
 1033    HB3  PRO1143           3HB      PRO1143   1.823  -6.258 -15.504
 1034    HG2  PRO1143           2HG      PRO1143  -0.588  -6.696 -16.671
 1035    HG3  PRO1143           3HG      PRO1143  -0.457  -6.695 -14.880
 1036    HD2  PRO1143           2HD      PRO1143  -1.305  -4.398 -16.690
 1037    HD3  PRO1143           3HD      PRO1143  -2.147  -5.065 -15.252
 1038    H    ASP1144           H        ASP1144   0.893  -1.911 -14.364
 1039    HA   ASP1144           HA       ASP1144   1.272   0.071 -15.008
 1040    HB2  ASP1144           2HB      ASP1144   3.139  -0.404 -13.537
 1041    HB3  ASP1144           3HB      ASP1144   4.143  -0.899 -14.895
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  18.996  41.729  -3.352
    2    H2   GLY   1           H2       GLY   1  18.033  42.116  -2.085
    3    H3   GLY   1           H3       GLY   1  17.388  41.947  -3.582
    4    HA2  GLY   1           2HA      GLY   1  17.924  39.597  -3.621
    5    HA3  GLY   1           3HA      GLY   1  18.623  39.779  -2.002
    6    H    SER   2           H        SER   2  16.793  37.880  -2.195
    7    HA   SER   2           HA       SER   2  14.081  38.779  -1.661
    8    HB2  SER   2           2HB      SER   2  13.657  36.350  -1.274
    9    HB3  SER   2           3HB      SER   2  14.384  36.726  -2.843
   10    HG   SER   2           HG       SER   2  15.384  34.938  -1.804
   11    HA   PRO   3           HA       PRO   3  14.100  39.206   2.721
   12    HB2  PRO   3           2HB      PRO   3  11.748  37.325   2.874
   13    HB3  PRO   3           3HB      PRO   3  11.944  38.952   3.599
   14    HG2  PRO   3           2HG      PRO   3  10.473  38.650   1.352
   15    HG3  PRO   3           3HG      PRO   3  11.636  40.013   1.470
   16    HD2  PRO   3           2HD      PRO   3  12.017  37.332   0.102
   17    HD3  PRO   3           3HD      PRO   3  12.356  38.977  -0.516
   18    H    ALA   4           H        ALA   4  14.685  38.278   4.706
   19    HA   ALA   4           HA       ALA   4  16.065  35.718   4.613
   20    HB1  ALA   4           3HB      ALA   4  15.605  37.680   6.900
   21    HB2  ALA   4           1HB      ALA   4  16.761  36.330   6.891
   22    HB3  ALA   4           2HB      ALA   4  16.985  37.690   5.776
   23    H    SER   5           H        SER   5  15.807  34.058   6.283
   24    HA   SER   5           HA       SER   5  13.069  33.667   7.374
   25    HB2  SER   5           2HB      SER   5  13.055  31.334   6.603
   26    HB3  SER   5           3HB      SER   5  13.071  32.486   5.259
   27    HG   SER   5           HG       SER   5  14.548  30.772   4.937
   28    H    GLY   6           H        GLY   6  12.907  32.110   9.075
   29    HA2  GLY   6           2HA      GLY   6  15.071  32.336  10.985
   30    HA3  GLY   6           3HA      GLY   6  13.530  31.523  11.228
   31    H    THR   7           H        THR   7  16.107  30.667  12.134
   32    HA   THR   7           HA       THR   7  17.093  28.431  10.593
   33    HB   THR   7           HB       THR   7  17.405  28.973  13.572
   34    HG1  THR   7           1HG      THR   7  19.296  30.021  12.932
   35   HG21  THR   7          1HG2      THR   7  18.231  26.738  12.999
   36   HG22  THR   7          2HG2      THR   7  19.124  27.390  11.602
   37   HG23  THR   7          3HG2      THR   7  19.603  27.812  13.262
   38    H    SER   8           H        SER   8  16.761  26.215  10.861
   39    HA   SER   8           HA       SER   8  14.592  25.291  12.689
   40    HB2  SER   8           2HB      SER   8  13.642  25.596  10.438
   41    HB3  SER   8           3HB      SER   8  14.875  24.513   9.766
   42    HG   SER   8           HG       SER   8  12.795  23.537  10.291
   43    H    LEU   9           H        LEU   9  14.721  23.192  13.381
   44    HA   LEU   9           HA       LEU   9  17.289  21.728  12.954
   45    HB2  LEU   9           2HB      LEU   9  17.140  20.981  15.304
   46    HB3  LEU   9           3HB      LEU   9  17.422  22.694  15.076
   47    HG   LEU   9           HG       LEU   9  15.106  23.229  15.684
   48   HD11  LEU   9          1HD1      LEU   9  14.768  20.235  16.135
   49   HD12  LEU   9          2HD1      LEU   9  13.658  21.488  16.730
   50   HD13  LEU   9          3HD1      LEU   9  13.853  21.252  14.996
   51   HD21  LEU   9          3HD2      LEU   9  16.466  21.379  17.682
   52   HD22  LEU   9          1HD2      LEU   9  16.861  23.091  17.411
   53   HD23  LEU   9          2HD2      LEU   9  15.274  22.646  18.057
   54    H    SER  10           H        SER  10  14.405  21.500  11.793
   55    HA   SER  10           HA       SER  10  13.406  18.928  12.590
   56    HB2  SER  10           2HB      SER  10  12.099  20.755  11.475
   57    HB3  SER  10           3HB      SER  10  12.937  20.370   9.957
   58    HG   SER  10           HG       SER  10  10.909  19.286  10.197
   59    H    ALA  11           H        ALA  11  13.337  16.968  11.393
   60    HA   ALA  11           HA       ALA  11  15.530  16.408   9.472
   61    HB1  ALA  11           3HB      ALA  11  16.480  16.081  11.734
   62    HB2  ALA  11           1HB      ALA  11  15.157  14.965  12.139
   63    HB3  ALA  11           2HB      ALA  11  16.335  14.538  10.877
   64    H    ALA  12           H        ALA  12  15.417  14.187   8.590
   65    HA   ALA  12           HA       ALA  12  12.715  13.621   7.700
   66    HB1  ALA  12           3HB      ALA  12  15.375  12.302   7.017
   67    HB2  ALA  12           1HB      ALA  12  13.856  12.139   6.113
   68    HB3  ALA  12           2HB      ALA  12  14.667  13.712   6.190
   69    H    ILE  13           H        ILE  13  14.152  12.560  10.479
   70    HA   ILE  13           HA       ILE  13  13.580   9.756  10.495
   71    HB   ILE  13           HB       ILE  13  15.154  10.941  12.003
   72   HG12  ILE  13          2HG1      ILE  13  13.085   9.310  13.529
   73   HG13  ILE  13          3HG1      ILE  13  14.280   8.628  12.420
   74   HG21  ILE  13          1HG2      ILE  13  14.411  12.134  13.973
   75   HG22  ILE  13          2HG2      ILE  13  13.646  12.890  12.578
   76   HG23  ILE  13          3HG2      ILE  13  12.708  11.796  13.613
   77   HD11  ILE  13          3HD1      ILE  13  14.872  10.122  15.007
   78   HD12  ILE  13          1HD1      ILE  13  15.075   8.393  14.686
   79   HD13  ILE  13          2HD1      ILE  13  16.105   9.570  13.847
   80    H    HIS  14           H        HIS  14  11.909   8.581  11.548
   81    HA   HIS  14           HA       HIS  14   9.236   9.524  11.078
   82    HB2  HIS  14           2HB      HIS  14   8.590   7.371  12.120
   83    HB3  HIS  14           3HB      HIS  14   9.792   7.183  10.848
   84    HD2  HIS  14           HD2      HIS  14   9.149   6.384  14.472
   85    HE1  HIS  14           HE1      HIS  14  13.254   5.395  13.837
   86    HE2  HIS  14           HE2      HIS  14  11.295   5.204  15.454
   87    H    ARG  15           H        ARG  15   7.619  10.129  12.462
   88    HA   ARG  15           HA       ARG  15   8.288  10.606  15.319
   89    HB2  ARG  15           2HB      ARG  15   7.389  12.884  15.174
   90    HB3  ARG  15           3HB      ARG  15   8.594  12.680  13.900
   91    HG2  ARG  15           2HG      ARG  15   6.705  12.172  12.273
   92    HG3  ARG  15           3HG      ARG  15   5.558  12.512  13.571
   93    HD2  ARG  15           2HD      ARG  15   6.481  14.811  13.788
   94    HD3  ARG  15           3HD      ARG  15   7.597  14.471  12.445
   95    HE   ARG  15           HE       ARG  15   4.924  13.902  11.607
   96   HH11  ARG  15          1HH1      ARG  15   6.875  16.715  12.348
   97   HH12  ARG  15          2HH1      ARG  15   5.954  17.754  11.293
   98   HH21  ARG  15          1HH2      ARG  15   3.788  15.279  10.269
   99   HH22  ARG  15          2HH2      ARG  15   4.246  16.951  10.148
  100    H    THR  16           H        THR  16   6.524   8.890  13.756
  101    HA   THR  16           HA       THR  16   4.377   8.551  15.715
  102    HB   THR  16           HB       THR  16   2.521   8.408  14.193
  103    HG1  THR  16           1HG      THR  16   2.811   9.027  12.010
  104   HG21  THR  16          1HG2      THR  16   3.045  10.724  15.029
  105   HG22  THR  16          2HG2      THR  16   3.843  11.036  13.466
  106   HG23  THR  16          3HG2      THR  16   2.115  10.655  13.523
  107    H    GLN  17           H        GLN  17   3.002   6.496  14.778
  108    HA   GLN  17           HA       GLN  17   4.889   4.321  14.505
  109    HB2  GLN  17           2HB      GLN  17   3.072   2.913  14.873
  110    HB3  GLN  17           3HB      GLN  17   2.731   4.333  15.837
  111    HG2  GLN  17           2HG      GLN  17   1.406   3.451  13.243
  112    HG3  GLN  17           3HG      GLN  17   0.682   3.621  14.833
  113   HE21  GLN  17          2HE2      GLN  17   0.583   5.959  15.720
  114   HE22  GLN  17          1HE2      GLN  17   0.219   7.183  14.517
  115    H    LEU  18           H        LEU  18   4.282   6.397  12.090
  116    HA   LEU  18           HA       LEU  18   3.107   4.846  10.066
  117    HB2  LEU  18           2HB      LEU  18   3.494   6.564   8.633
  118    HB3  LEU  18           3HB      LEU  18   3.407   7.359  10.189
  119    HG   LEU  18           HG       LEU  18   5.926   6.758   8.563
  120   HD11  LEU  18          1HD1      LEU  18   4.577   9.395   9.260
  121   HD12  LEU  18          2HD1      LEU  18   6.049   9.185   8.282
  122   HD13  LEU  18          3HD1      LEU  18   4.496   8.577   7.689
  123   HD21  LEU  18          3HD2      LEU  18   7.178   8.128  10.144
  124   HD22  LEU  18          1HD2      LEU  18   5.741   8.338  11.163
  125   HD23  LEU  18          2HD2      LEU  18   6.491   6.738  10.990
  126    H    TRP  19           H        TRP  19   3.805   3.840   8.226
  127    HA   TRP  19           HA       TRP  19   6.452   2.462   8.412
  128    HB2  TRP  19           2HB      TRP  19   3.889   1.539   7.060
  129    HB3  TRP  19           3HB      TRP  19   5.327   0.586   7.365
  130    HD1  TRP  19           HD1      TRP  19   2.022   0.745   8.506
  131    HE1  TRP  19           HE1      TRP  19   1.708  -0.175  10.882
  132    HE3  TRP  19           HE3      TRP  19   6.897   0.891  10.111
  133    HZ2  TRP  19           HZ2      TRP  19   3.344  -0.805  13.163
  134    HZ3  TRP  19           HZ3      TRP  19   7.486   0.103  12.389
  135    HH2  TRP  19           HH2      TRP  19   5.725  -0.747  13.922
  136    H    PHE  20           H        PHE  20   5.614   5.053   6.801
  137    HA   PHE  20           HA       PHE  20   5.796   4.138   4.069
  138    HB2  PHE  20           2HB      PHE  20   5.895   7.012   4.967
  139    HB3  PHE  20           3HB      PHE  20   5.339   6.377   3.428
  140    HD1  PHE  20           HD2      PHE  20   3.533   4.101   4.798
  141    HD2  PHE  20           HD1      PHE  20   3.944   8.361   5.313
  142    HE1  PHE  20           HE2      PHE  20   1.222   4.217   5.687
  143    HE2  PHE  20           HE1      PHE  20   1.630   8.473   6.201
  144    HZ   PHE  20           HZ       PHE  20   0.268   6.400   6.397
  145    H    HIS  21           H        HIS  21   7.135   4.475   2.520
  146    HA   HIS  21           HA       HIS  21   9.788   5.784   2.739
  147    HB2  HIS  21           2HB      HIS  21   9.181   2.847   2.139
  148    HB3  HIS  21           3HB      HIS  21  10.568   3.645   1.380
  149    HD2  HIS  21           HD2      HIS  21  12.294   4.942   3.287
  150    HE1  HIS  21           HE1      HIS  21  11.760   1.779   6.092
  151    HE2  HIS  21           HE2      HIS  21  13.219   3.756   5.450
  152    H    GLY  22           H        GLY  22  10.388   6.712   0.432
  153    HA2  GLY  22           2HA      GLY  22   8.472   5.810  -1.620
  154    HA3  GLY  22           3HA      GLY  22   8.550   7.488  -1.306
  155    H    ARG  23           H        ARG  23  11.183   5.056  -1.382
  156    HA   ARG  23           HA       ARG  23  11.986   5.890  -4.094
  157    HB2  ARG  23           2HB      ARG  23  13.070   7.558  -2.819
  158    HB3  ARG  23           3HB      ARG  23  13.492   6.473  -1.518
  159    HG2  ARG  23           2HG      ARG  23  15.439   7.354  -2.676
  160    HG3  ARG  23           3HG      ARG  23  15.383   5.609  -2.680
  161    HD2  ARG  23           2HD      ARG  23  14.449   5.774  -5.090
  162    HD3  ARG  23           3HD      ARG  23  14.779   7.505  -4.982
  163    HE   ARG  23           HE       ARG  23  17.019   7.112  -5.280
  164   HH11  ARG  23          1HH1      ARG  23  15.636   4.007  -4.351
  165   HH12  ARG  23          2HH1      ARG  23  17.099   3.149  -4.770
  166   HH21  ARG  23          1HH2      ARG  23  18.839   5.949  -5.752
  167   HH22  ARG  23          2HH2      ARG  23  18.868   4.227  -5.521
  168    H    ILE  24           H        ILE  24  10.885   3.504  -3.123
  169    HA   ILE  24           HA       ILE  24  13.076   1.566  -3.715
  170    HB   ILE  24           HB       ILE  24  12.770   1.697  -1.300
  171   HG12  ILE  24          2HG1      ILE  24  12.329  -0.793  -0.911
  172   HG13  ILE  24          3HG1      ILE  24  12.002  -0.926  -2.638
  173   HG21  ILE  24          1HG2      ILE  24  10.840   0.975  -0.120
  174   HG22  ILE  24          2HG2      ILE  24  10.331   2.252  -1.228
  175   HG23  ILE  24          3HG2      ILE  24   9.993   0.545  -1.611
  176   HD11  ILE  24          3HD1      ILE  24  14.615   0.056  -1.412
  177   HD12  ILE  24          1HD1      ILE  24  14.315  -1.571  -2.053
  178   HD13  ILE  24          2HD1      ILE  24  14.303  -0.179  -3.148
  179    H    SER  25           H        SER  25  12.315   1.850  -5.804
  180    HA   SER  25           HA       SER  25   9.839   1.625  -6.873
  181    HB2  SER  25           2HB      SER  25  11.849   2.201  -8.118
  182    HB3  SER  25           3HB      SER  25  12.390   0.514  -8.075
  183    HG   SER  25           HG       SER  25   9.855   1.278  -9.128
  184    H    ARG  26           H        ARG  26   8.530   0.016  -7.901
  185    HA   ARG  26           HA       ARG  26   8.000  -2.195  -6.257
  186    HB2  ARG  26           2HB      ARG  26   6.344  -2.901  -7.721
  187    HB3  ARG  26           3HB      ARG  26   6.360  -1.153  -7.760
  188    HG2  ARG  26           2HG      ARG  26   7.465  -3.032  -9.943
  189    HG3  ARG  26           3HG      ARG  26   5.885  -2.221  -9.949
  190    HD2  ARG  26           2HD      ARG  26   7.134  -0.081  -9.621
  191    HD3  ARG  26           3HD      ARG  26   8.625  -0.916 -10.068
  192    HE   ARG  26           HE       ARG  26   6.535  -1.164 -12.086
  193   HH11  ARG  26          2HH1      ARG  26   8.417   1.403 -10.627
  194   HH12  ARG  26          1HH1      ARG  26   8.729   2.180 -12.159
  195   HH21  ARG  26          1HH2      ARG  26   6.781  -0.096 -13.941
  196   HH22  ARG  26          2HH2      ARG  26   7.687   1.413 -14.021
  197    H    GLU  27           H        GLU  27  10.211  -2.290  -8.967
  198    HA   GLU  27           HA       GLU  27  10.481  -5.189  -8.991
  199    HB2  GLU  27           2HB      GLU  27  12.371  -3.002  -9.945
  200    HB3  GLU  27           3HB      GLU  27  12.566  -4.735 -10.245
  201    HG2  GLU  27           2HG      GLU  27  10.327  -4.744 -11.397
  202    HG3  GLU  27           3HG      GLU  27  10.273  -2.987 -11.232
  203    H    GLU  28           H        GLU  28  11.975  -2.624  -7.070
  204    HA   GLU  28           HA       GLU  28  13.948  -4.434  -5.814
  205    HB2  GLU  28           2HB      GLU  28  13.281  -1.502  -5.309
  206    HB3  GLU  28           3HB      GLU  28  14.544  -2.420  -4.494
  207    HG2  GLU  28           2HG      GLU  28  14.431  -1.798  -7.478
  208    HG3  GLU  28           3HG      GLU  28  15.474  -1.030  -6.285
  209    H    SER  29           H        SER  29  11.001  -2.599  -4.801
  210    HA   SER  29           HA       SER  29  11.090  -3.653  -2.114
  211    HB2  SER  29           2HB      SER  29   8.644  -2.854  -2.068
  212    HB3  SER  29           3HB      SER  29   9.942  -1.678  -2.221
  213    HG   SER  29           HG       SER  29   9.307  -1.150  -4.126
  214    H    GLN  30           H        GLN  30   9.582  -5.006  -5.087
  215    HA   GLN  30           HA       GLN  30   8.147  -6.960  -3.559
  216    HB2  GLN  30           2HB      GLN  30   7.632  -8.087  -5.542
  217    HB3  GLN  30           3HB      GLN  30   7.585  -6.361  -5.877
  218    HG2  GLN  30           2HG      GLN  30   9.937  -6.706  -6.898
  219    HG3  GLN  30           3HG      GLN  30   9.617  -8.437  -6.757
  220   HE21  GLN  30          1HE2      GLN  30   6.526  -7.756  -7.413
  221   HE22  GLN  30          2HE2      GLN  30   6.640  -7.617  -9.156
  222    H    ARG  31           H        ARG  31  11.522  -6.745  -4.067
  223    HA   ARG  31           HA       ARG  31  12.085  -9.593  -3.600
  224    HB2  ARG  31           2HB      ARG  31  13.504  -7.845  -4.870
  225    HB3  ARG  31           3HB      ARG  31  13.993  -7.244  -3.282
  226    HG2  ARG  31           2HG      ARG  31  14.805  -9.589  -2.736
  227    HG3  ARG  31           3HG      ARG  31  14.427 -10.047  -4.402
  228    HD2  ARG  31           2HD      ARG  31  16.455  -7.977  -3.463
  229    HD3  ARG  31           3HD      ARG  31  16.801  -9.544  -4.180
  230    HE   ARG  31           HE       ARG  31  15.907  -8.777  -6.313
  231   HH11  ARG  31          1HH1      ARG  31  16.640  -6.158  -4.072
  232   HH12  ARG  31          2HH1      ARG  31  16.689  -4.974  -5.368
  233   HH21  ARG  31          1HH2      ARG  31  15.912  -7.149  -7.862
  234   HH22  ARG  31          2HH2      ARG  31  16.189  -5.491  -7.368
  235    H    LEU  32           H        LEU  32  11.791  -6.659  -1.652
  236    HA   LEU  32           HA       LEU  32  12.652  -7.959   0.855
  237    HB2  LEU  32           2HB      LEU  32  11.745  -5.157   0.088
  238    HB3  LEU  32           3HB      LEU  32  11.890  -5.661   1.765
  239    HG   LEU  32           HG       LEU  32  14.283  -6.190   1.453
  240   HD11  LEU  32          1HD1      LEU  32  15.475  -5.216  -0.516
  241   HD12  LEU  32          2HD1      LEU  32  14.477  -6.603  -0.938
  242   HD13  LEU  32          3HD1      LEU  32  13.906  -4.954  -1.308
  243   HD21  LEU  32          3HD2      LEU  32  13.557  -4.032   2.332
  244   HD22  LEU  32          1HD2      LEU  32  15.011  -3.828   1.342
  245   HD23  LEU  32          2HD2      LEU  32  13.424  -3.370   0.679
  246    H    ILE  33           H        ILE  33   9.557  -6.696  -0.483
  247    HA   ILE  33           HA       ILE  33   8.032  -7.632   1.844
  248    HB   ILE  33           HB       ILE  33   7.278  -6.273  -0.756
  249   HG12  ILE  33          2HG1      ILE  33   6.491  -4.470   0.759
  250   HG13  ILE  33          3HG1      ILE  33   7.018  -5.390   2.162
  251   HG21  ILE  33          1HG2      ILE  33   5.397  -7.218   1.446
  252   HG22  ILE  33          2HG2      ILE  33   4.959  -6.048   0.180
  253   HG23  ILE  33          3HG2      ILE  33   5.367  -7.698  -0.267
  254   HD11  ILE  33          3HD1      ILE  33   8.500  -3.483   1.535
  255   HD12  ILE  33          1HD1      ILE  33   9.355  -5.018   1.584
  256   HD13  ILE  33          2HD1      ILE  33   8.893  -4.291   0.018
  257    H    GLY  34           H        GLY  34   9.266  -9.200  -0.914
  258    HA2  GLY  34           2HA      GLY  34   7.107 -11.175  -1.165
  259    HA3  GLY  34           3HA      GLY  34   8.544 -11.023  -2.147
  260    H    GLN  35           H        GLN  35   9.797 -11.063   0.916
  261    HA   GLN  35           HA       GLN  35  10.257 -13.991   0.778
  262    HB2  GLN  35           2HB      GLN  35  12.062 -13.722   2.272
  263    HB3  GLN  35           3HB      GLN  35  12.208 -12.555   0.964
  264    HG2  GLN  35           2HG      GLN  35  11.358 -10.765   2.483
  265    HG3  GLN  35           3HG      GLN  35  11.268 -11.946   3.802
  266   HE21  GLN  35          2HE2      GLN  35  13.402 -13.030   4.434
  267   HE22  GLN  35          1HE2      GLN  35  14.858 -12.065   4.239
  268    H    GLN  36           H        GLN  36   7.856 -12.178   1.983
  269    HA   GLN  36           HA       GLN  36   7.453 -13.598   4.478
  270    HB2  GLN  36           2HB      GLN  36   5.922 -11.364   3.130
  271    HB3  GLN  36           3HB      GLN  36   5.321 -12.212   4.547
  272    HG2  GLN  36           2HG      GLN  36   6.321 -10.576   5.703
  273    HG3  GLN  36           3HG      GLN  36   7.792 -11.516   5.459
  274   HE21  GLN  36          2HE2      GLN  36   9.355 -10.747   3.977
  275   HE22  GLN  36          1HE2      GLN  36   9.273  -9.135   3.263
  276    H    GLY  37           H        GLY  37   5.399 -14.779   4.849
  277    HA2  GLY  37           2HA      GLY  37   4.079 -15.910   2.406
  278    HA3  GLY  37           3HA      GLY  37   4.803 -16.968   3.617
  279    H    LEU  38           H        LEU  38   3.036 -14.002   4.467
  280    HA   LEU  38           HA       LEU  38   1.120 -15.586   6.102
  281    HB2  LEU  38           2HB      LEU  38   1.772 -12.625   5.872
  282    HB3  LEU  38           3HB      LEU  38   0.487 -13.245   6.886
  283    HG   LEU  38           HG       LEU  38   2.271 -12.737   8.289
  284   HD11  LEU  38          1HD1      LEU  38   2.285 -15.765   8.018
  285   HD12  LEU  38          2HD1      LEU  38   2.664 -14.807   9.461
  286   HD13  LEU  38          3HD1      LEU  38   1.013 -14.811   8.818
  287   HD21  LEU  38          3HD2      LEU  38   4.147 -12.864   6.650
  288   HD22  LEU  38          1HD2      LEU  38   4.489 -13.594   8.226
  289   HD23  LEU  38          2HD2      LEU  38   4.136 -14.640   6.846
  290    H    VAL  39           H        VAL  39  -1.161 -14.103   6.114
  291    HA   VAL  39           HA       VAL  39  -2.601 -14.769   3.729
  292    HB   VAL  39           HB       VAL  39  -4.373 -13.310   4.543
  293   HG11  VAL  39          1HG1      VAL  39  -4.184 -15.624   5.375
  294   HG12  VAL  39          2HG1      VAL  39  -3.216 -15.053   6.752
  295   HG13  VAL  39          3HG1      VAL  39  -4.905 -14.540   6.574
  296   HG21  VAL  39          3HG2      VAL  39  -3.038 -11.490   5.577
  297   HG22  VAL  39          1HG2      VAL  39  -4.260 -12.148   6.670
  298   HG23  VAL  39          2HG2      VAL  39  -2.561 -12.600   6.885
  299    H    ASP  40           H        ASP  40  -3.479 -13.583   2.091
  300    HA   ASP  40           HA       ASP  40  -1.697 -12.194   0.672
  301    HB2  ASP  40           2HB      ASP  40  -4.685 -11.751   0.375
  302    HB3  ASP  40           3HB      ASP  40  -3.470 -11.639  -0.899
  303    H    GLY  41           H        GLY  41  -3.073 -10.933   3.171
  304    HA2  GLY  41           2HA      GLY  41  -3.426  -8.039   2.439
  305    HA3  GLY  41           3HA      GLY  41  -3.997  -8.869   3.808
  306    H    LEU  42           H        LEU  42  -0.640  -9.683   3.460
  307    HA   LEU  42           HA       LEU  42  -0.061  -7.731   5.622
  308    HB2  LEU  42           2HB      LEU  42   1.183 -10.297   4.679
  309    HB3  LEU  42           3HB      LEU  42   2.290  -9.105   5.332
  310    HG   LEU  42           HG       LEU  42   1.623 -10.692   7.022
  311   HD11  LEU  42          1HD1      LEU  42   2.272  -8.451   7.723
  312   HD12  LEU  42          2HD1      LEU  42   0.583  -7.910   7.647
  313   HD13  LEU  42          3HD1      LEU  42   1.069  -9.155   8.811
  314   HD21  LEU  42          3HD2      LEU  42  -0.633 -10.762   7.938
  315   HD22  LEU  42          1HD2      LEU  42  -1.182  -9.554   6.758
  316   HD23  LEU  42          2HD2      LEU  42  -0.662 -11.157   6.207
  317    H    PHE  43           H        PHE  43  -0.340  -5.968   4.378
  318    HA   PHE  43           HA       PHE  43   1.524  -5.518   2.147
  319    HB2  PHE  43           2HB      PHE  43  -0.146  -4.262   1.274
  320    HB3  PHE  43           3HB      PHE  43  -1.064  -5.275   2.195
  321    HD1  PHE  43           HD1      PHE  43  -1.760  -4.631   4.590
  322    HD2  PHE  43           HD2      PHE  43  -0.307  -1.767   1.746
  323    HE1  PHE  43           HE1      PHE  43  -2.866  -2.816   5.876
  324    HE2  PHE  43           HE2      PHE  43  -1.531   0.026   2.951
  325    HZ   PHE  43           HZ       PHE  43  -2.800  -0.484   5.010
  326    H    LEU  44           H        LEU  44   2.162  -3.284   1.727
  327    HA   LEU  44           HA       LEU  44   2.922  -1.611   4.066
  328    HB2  LEU  44           2HB      LEU  44   4.881  -3.068   3.279
  329    HB3  LEU  44           3HB      LEU  44   4.802  -2.232   1.744
  330    HG   LEU  44           HG       LEU  44   5.379  -0.037   2.970
  331   HD11  LEU  44          1HD1      LEU  44   6.313  -0.315   5.251
  332   HD12  LEU  44          2HD1      LEU  44   4.578  -0.648   5.232
  333   HD13  LEU  44          3HD1      LEU  44   5.741  -1.991   5.297
  334   HD21  LEU  44          3HD2      LEU  44   7.312  -2.350   3.347
  335   HD22  LEU  44          1HD2      LEU  44   7.087  -1.413   1.850
  336   HD23  LEU  44          2HD2      LEU  44   7.707  -0.614   3.303
  337    H    VAL  45           H        VAL  45   3.158   0.631   3.558
  338    HA   VAL  45           HA       VAL  45   2.000   1.521   0.937
  339    HB   VAL  45           HB       VAL  45   1.967   3.007   3.585
  340   HG11  VAL  45          1HG1      VAL  45   2.087   4.506   1.595
  341   HG12  VAL  45          2HG1      VAL  45   0.713   3.639   0.868
  342   HG13  VAL  45          3HG1      VAL  45   0.502   4.583   2.359
  343   HG21  VAL  45          3HG2      VAL  45  -0.463   2.673   3.512
  344   HG22  VAL  45          1HG2      VAL  45  -0.280   1.654   2.070
  345   HG23  VAL  45          2HG2      VAL  45   0.394   1.139   3.642
  346    H    ARG  46           H        ARG  46   3.675   1.941  -0.319
  347    HA   ARG  46           HA       ARG  46   5.762   3.858   0.494
  348    HB2  ARG  46           2HB      ARG  46   7.558   2.499   0.558
  349    HB3  ARG  46           3HB      ARG  46   6.431   1.232   0.950
  350    HG2  ARG  46           2HG      ARG  46   7.734   1.839  -1.705
  351    HG3  ARG  46           3HG      ARG  46   8.001   0.442  -0.669
  352    HD2  ARG  46           2HD      ARG  46   6.002  -0.590  -1.189
  353    HD3  ARG  46           3HD      ARG  46   5.238   0.856  -1.772
  354    HE   ARG  46           HE       ARG  46   6.162  -0.980  -3.424
  355   HH11  ARG  46          2HH1      ARG  46   7.871   2.145  -3.396
  356   HH12  ARG  46          1HH1      ARG  46   7.636   2.239  -5.123
  357   HH21  ARG  46          1HH2      ARG  46   6.121  -0.705  -5.506
  358   HH22  ARG  46          2HH2      ARG  46   6.726   0.808  -6.205
  359    H    GLU  47           H        GLU  47   7.041   4.562  -1.340
  360    HA   GLU  47           HA       GLU  47   5.833   3.944  -3.951
  361    HB2  GLU  47           2HB      GLU  47   5.221   6.257  -4.496
  362    HB3  GLU  47           3HB      GLU  47   4.307   5.663  -3.148
  363    HG2  GLU  47           2HG      GLU  47   6.768   7.413  -2.750
  364    HG3  GLU  47           3HG      GLU  47   5.180   8.084  -3.037
  365    HE2  GLU  47           2HE      GLU  47   5.793   7.833   0.556
  366    H    SER  48           H        SER  48   6.774   5.992  -5.340
  367    HA   SER  48           HA       SER  48   9.706   5.802  -5.396
  368    HB2  SER  48           2HB      SER  48   9.035   6.500  -7.881
  369    HB3  SER  48           3HB      SER  48   8.927   4.801  -7.393
  370    HG   SER  48           HG       SER  48   7.000   4.960  -8.037
  371    H    GLN  49           H        GLN  49  10.731   7.730  -5.653
  372    HA   GLN  49           HA       GLN  49   9.181  10.249  -5.623
  373    HB2  GLN  49           2HB      GLN  49  11.302  11.265  -4.997
  374    HB3  GLN  49           3HB      GLN  49  10.850   9.934  -3.912
  375    HG2  GLN  49           2HG      GLN  49  13.319  10.130  -4.527
  376    HG3  GLN  49           3HG      GLN  49  12.544   8.558  -4.607
  377   HE21  GLN  49          2HE2      GLN  49  12.789   7.317  -6.479
  378   HE22  GLN  49          1HE2      GLN  49  13.132   8.040  -8.015
  379    H    ARG  50           H        ARG  50   9.973   8.122  -7.792
  380    HA   ARG  50           HA       ARG  50  10.659   9.766 -10.131
  381    HB2  ARG  50           2HB      ARG  50  11.922   7.695  -9.699
  382    HB3  ARG  50           3HB      ARG  50  10.442   6.746  -9.743
  383    HG2  ARG  50           2HG      ARG  50  11.655   6.471 -11.804
  384    HG3  ARG  50           3HG      ARG  50  10.140   7.309 -12.145
  385    HD2  ARG  50           2HD      ARG  50  11.348   9.470 -12.255
  386    HD3  ARG  50           3HD      ARG  50  12.861   8.652 -11.805
  387    HE   ARG  50           HE       ARG  50  11.798   7.372 -14.117
  388   HH11  ARG  50          1HH1      ARG  50  13.261  10.456 -13.319
  389   HH12  ARG  50          2HH1      ARG  50  13.873  10.693 -14.933
  390   HH21  ARG  50          1HH2      ARG  50  12.605   7.733 -16.158
  391   HH22  ARG  50          2HH2      ARG  50  13.504   9.180 -16.499
  392    H    ASN  51           H        ASN  51   8.013   7.083  -9.731
  393    HA   ASN  51           HA       ASN  51   6.645   8.041 -11.920
  394    HB2  ASN  51           2HB      ASN  51   5.793   6.450  -9.582
  395    HB3  ASN  51           3HB      ASN  51   4.553   7.101 -10.659
  396   HD21  ASN  51          1HD2      ASN  51   7.040   4.695 -10.390
  397   HD22  ASN  51          2HD2      ASN  51   7.110   4.319 -12.110
  398    HA   PRO  52           HA       PRO  52   5.544  12.105 -10.349
  399    HB2  PRO  52           2HB      PRO  52   3.885  13.051 -12.330
  400    HB3  PRO  52           3HB      PRO  52   5.650  12.829 -12.529
  401    HG2  PRO  52           2HG      PRO  52   3.436  10.906 -13.330
  402    HG3  PRO  52           3HG      PRO  52   4.805  11.494 -14.331
  403    HD2  PRO  52           2HD      PRO  52   4.934   9.109 -13.058
  404    HD3  PRO  52           3HD      PRO  52   6.368  10.179 -13.122
  405    H    GLN  53           H        GLN  53   3.055   9.766 -10.978
  406    HA   GLN  53           HA       GLN  53   1.091  11.056  -9.140
  407    HB2  GLN  53           2HB      GLN  53  -0.591  10.197 -10.274
  408    HB3  GLN  53           3HB      GLN  53   0.491  10.709 -11.546
  409    HG2  GLN  53           2HG      GLN  53  -0.076   7.853 -10.640
  410    HG3  GLN  53           3HG      GLN  53  -0.682   8.678 -12.058
  411   HE21  GLN  53          2HE2      GLN  53   0.060   7.009 -13.415
  412   HE22  GLN  53          1HE2      GLN  53   1.784   6.857 -13.794
  413    H    GLY  54           H        GLY  54   3.649   9.182  -8.441
  414    HA2  GLY  54           2HA      GLY  54   2.204   6.835  -7.579
  415    HA3  GLY  54           3HA      GLY  54   3.890   7.130  -7.411
  416    H    PHE  55           H        PHE  55   1.437   6.454  -6.023
  417    HA   PHE  55           HA       PHE  55   2.313   6.681  -3.218
  418    HB2  PHE  55           2HB      PHE  55  -0.571   7.257  -4.065
  419    HB3  PHE  55           3HB      PHE  55   0.071   7.242  -2.432
  420    HD1  PHE  55           HD1      PHE  55   1.491   9.145  -1.625
  421    HD2  PHE  55           HD2      PHE  55  -0.250   9.132  -5.575
  422    HE1  PHE  55           HE1      PHE  55   1.970  11.576  -1.852
  423    HE2  PHE  55           HE2      PHE  55   0.255  11.552  -5.809
  424    HZ   PHE  55           HZ       PHE  55   1.358  12.779  -3.942
  425    H    VAL  56           H        VAL  56   2.713   4.311  -3.099
  426    HA   VAL  56           HA       VAL  56   0.688   2.670  -4.516
  427    HB   VAL  56           HB       VAL  56   2.091   1.495  -5.696
  428   HG11  VAL  56          1HG1      VAL  56   3.546   3.811  -5.406
  429   HG12  VAL  56          2HG1      VAL  56   4.614   2.611  -4.626
  430   HG13  VAL  56          3HG1      VAL  56   4.118   2.417  -6.270
  431   HG21  VAL  56          3HG2      VAL  56   2.487  -0.090  -3.958
  432   HG22  VAL  56          1HG2      VAL  56   4.032   0.307  -4.710
  433   HG23  VAL  56          2HG2      VAL  56   3.641   0.993  -3.151
  434    H    LEU  57           H        LEU  57  -0.305   1.062  -3.749
  435    HA   LEU  57           HA       LEU  57   0.044   0.318  -0.885
  436    HB2  LEU  57           2HB      LEU  57  -2.224   1.074  -1.907
  437    HB3  LEU  57           3HB      LEU  57  -2.238  -0.484  -2.737
  438    HG   LEU  57           HG       LEU  57  -2.133  -0.065   0.283
  439   HD11  LEU  57          1HD1      LEU  57  -4.378  -1.044  -1.539
  440   HD12  LEU  57          2HD1      LEU  57  -4.441  -0.924   0.235
  441   HD13  LEU  57          3HD1      LEU  57  -4.303   0.545  -0.743
  442   HD21  LEU  57          3HD2      LEU  57  -2.673  -2.515   0.354
  443   HD22  LEU  57          1HD2      LEU  57  -2.349  -2.600  -1.397
  444   HD23  LEU  57          2HD2      LEU  57  -1.054  -2.184  -0.249
  445    H    SER  58           H        SER  58   0.993  -1.801  -0.540
  446    HA   SER  58           HA       SER  58   1.615  -3.369  -3.019
  447    HB2  SER  58           2HB      SER  58   3.933  -3.679  -2.190
  448    HB3  SER  58           3HB      SER  58   3.532  -2.023  -2.681
  449    HG   SER  58           HG       SER  58   2.971  -1.853  -0.267
  450    H    LEU  59           H        LEU  59   0.757  -5.293  -2.780
  451    HA   LEU  59           HA       LEU  59   0.032  -6.247  -0.046
  452    HB2  LEU  59           2HB      LEU  59  -0.804  -7.169  -2.838
  453    HB3  LEU  59           3HB      LEU  59  -1.457  -7.787  -1.327
  454    HG   LEU  59           HG       LEU  59  -1.804  -4.947  -2.389
  455   HD11  LEU  59          1HD1      LEU  59  -3.151  -6.606  -3.572
  456   HD12  LEU  59          2HD1      LEU  59  -3.733  -7.274  -2.020
  457   HD13  LEU  59          3HD1      LEU  59  -4.184  -5.631  -2.524
  458   HD21  LEU  59          3HD2      LEU  59  -3.431  -4.727  -0.527
  459   HD22  LEU  59          1HD2      LEU  59  -2.878  -6.303   0.122
  460   HD23  LEU  59          2HD2      LEU  59  -1.785  -4.894   0.037
  461    H    CYS  60           H        CYS  60   0.126  -8.609   0.361
  462    HA   CYS  60           HA       CYS  60   2.725  -9.709  -0.654
  463    HB2  CYS  60           2HB      CYS  60   3.224  -8.876   1.653
  464    HB3  CYS  60           3HB      CYS  60   1.930  -9.928   2.258
  465    HG   CYS  60           HG       CYS  60   4.902 -10.477   1.001
  466    H    HIS  61           H        HIS  61   1.251 -10.670  -2.166
  467    HA   HIS  61           HA       HIS  61  -0.870 -12.182  -0.968
  468    HB2  HIS  61           2HB      HIS  61  -1.839 -11.131  -2.558
  469    HB3  HIS  61           3HB      HIS  61  -0.367 -10.906  -3.400
  470    HD2  HIS  61           HD2      HIS  61  -0.106 -11.970  -5.716
  471    HE1  HIS  61           HE1      HIS  61  -3.384 -14.699  -5.541
  472    HE2  HIS  61           HE2      HIS  61  -1.589 -13.720  -7.047
  473    H    LEU  62           H        LEU  62  -1.198 -14.212  -2.680
  474    HA   LEU  62           HA       LEU  62   1.049 -16.107  -1.953
  475    HB2  LEU  62           2HB      LEU  62  -0.298 -17.652  -1.007
  476    HB3  LEU  62           3HB      LEU  62  -1.310 -16.269  -0.694
  477    HG   LEU  62           HG       LEU  62  -1.659 -18.488  -2.733
  478   HD11  LEU  62          1HD1      LEU  62  -2.535 -18.789  -0.453
  479   HD12  LEU  62          2HD1      LEU  62  -3.523 -17.323  -0.643
  480   HD13  LEU  62          3HD1      LEU  62  -3.828 -18.747  -1.664
  481   HD21  LEU  62          3HD2      LEU  62  -3.273 -15.918  -2.736
  482   HD22  LEU  62          1HD2      LEU  62  -2.176 -16.463  -4.018
  483   HD23  LEU  62          2HD2      LEU  62  -3.631 -17.394  -3.667
  484    H    GLN  63           H        GLN  63   1.128 -14.778  -4.133
  485    HA   GLN  63           HA       GLN  63   2.404 -17.001  -5.130
  486    HB2  GLN  63           2HB      GLN  63   0.485 -15.512  -7.057
  487    HB3  GLN  63           3HB      GLN  63   1.706 -16.637  -7.654
  488    HG2  GLN  63           2HG      GLN  63   0.495 -18.505  -6.561
  489    HG3  GLN  63           3HG      GLN  63  -0.759 -17.364  -6.036
  490   HE21  GLN  63          2HE2      GLN  63  -1.722 -19.373  -7.557
  491   HE22  GLN  63          1HE2      GLN  63  -2.036 -18.805  -9.194
  492    H    LYS  64           H        LYS  64   1.711 -13.659  -5.488
  493    HA   LYS  64           HA       LYS  64   4.547 -13.182  -5.636
  494    HB2  LYS  64           2HB      LYS  64   4.409 -11.588  -7.548
  495    HB3  LYS  64           3HB      LYS  64   4.012 -13.208  -8.043
  496    HG2  LYS  64           2HG      LYS  64   1.814 -11.238  -7.262
  497    HG3  LYS  64           3HG      LYS  64   2.594 -11.126  -8.842
  498    HD2  LYS  64           2HD      LYS  64   0.942 -13.462  -7.820
  499    HD3  LYS  64           3HD      LYS  64   0.521 -12.307  -9.077
  500    HE2  LYS  64           2HE      LYS  64   2.473 -13.139 -10.444
  501    HE3  LYS  64           3HE      LYS  64   2.748 -14.394  -9.231
  502    HZ1  LYS  64           3HZ      LYS  64   0.255 -14.098 -10.846
  503    HZ2  LYS  64           1HZ      LYS  64   1.413 -15.210 -11.091
  504    HZ3  LYS  64           2HZ      LYS  64   0.503 -15.290  -9.744
  505    H    VAL  65           H        VAL  65   4.858 -10.606  -5.589
  506    HA   VAL  65           HA       VAL  65   2.729  -9.399  -3.862
  507    HB   VAL  65           HB       VAL  65   4.307  -8.314  -2.482
  508   HG11  VAL  65          1HG1      VAL  65   5.348 -11.156  -2.713
  509   HG12  VAL  65          2HG1      VAL  65   5.092 -10.169  -1.256
  510   HG13  VAL  65          3HG1      VAL  65   3.710 -10.829  -2.151
  511   HG21  VAL  65          3HG2      VAL  65   6.533  -9.527  -4.119
  512   HG22  VAL  65          1HG2      VAL  65   6.116  -7.794  -3.911
  513   HG23  VAL  65          2HG2      VAL  65   6.711  -8.729  -2.539
  514    H    LYS  66           H        LYS  66   1.694  -7.894  -4.848
  515    HA   LYS  66           HA       LYS  66   2.962  -6.421  -7.116
  516    HB2  LYS  66           2HB      LYS  66   0.821  -6.387  -8.243
  517    HB3  LYS  66           3HB      LYS  66   1.383  -8.023  -7.922
  518    HG2  LYS  66           2HG      LYS  66  -0.212  -8.168  -5.976
  519    HG3  LYS  66           3HG      LYS  66  -0.770  -6.536  -6.354
  520    HD2  LYS  66           2HD      LYS  66  -2.369  -8.007  -7.314
  521    HD3  LYS  66           3HD      LYS  66  -1.424  -7.388  -8.667
  522    HE2  LYS  66           2HE      LYS  66  -0.075  -9.472  -8.715
  523    HE3  LYS  66           3HE      LYS  66  -0.973 -10.095  -7.320
  524    HZ1  LYS  66           3HZ      LYS  66  -1.854 -10.956  -9.461
  525    HZ2  LYS  66           1HZ      LYS  66  -2.999 -10.103  -8.681
  526    HZ3  LYS  66           2HZ      LYS  66  -2.217  -9.447  -9.969
  527    H    HIS  67           H        HIS  67   2.090  -4.302  -7.644
  528    HA   HIS  67           HA       HIS  67   1.571  -2.718  -5.164
  529    HB2  HIS  67           2HB      HIS  67   3.420  -2.081  -7.478
  530    HB3  HIS  67           3HB      HIS  67   3.124  -1.102  -6.057
  531    HD2  HIS  67           HD2      HIS  67   4.527  -4.675  -6.850
  532    HE1  HIS  67           HE1      HIS  67   6.685  -3.166  -3.519
  533    HE2  HIS  67           HE2      HIS  67   6.452  -5.106  -5.135
  534    H    TYR  68           H        TYR  68   0.569  -0.618  -5.419
  535    HA   TYR  68           HA       TYR  68  -1.298  -0.373  -7.777
  536    HB2  TYR  68           2HB      TYR  68  -1.649   0.016  -4.796
  537    HB3  TYR  68           3HB      TYR  68  -2.814   0.569  -5.949
  538    HD1  TYR  68           HD1      TYR  68  -1.118  -2.793  -5.314
  539    HD2  TYR  68           HD2      TYR  68  -4.750  -0.528  -5.804
  540    HE1  TYR  68           HE1      TYR  68  -2.443  -4.854  -4.994
  541    HE2  TYR  68           HE2      TYR  68  -6.072  -2.556  -5.339
  542    HH   TYR  68           HH       TYR  68  -6.021  -4.792  -4.863
  543    H    LEU  69           H        LEU  69   0.137   1.463  -8.796
  544    HA   LEU  69           HA       LEU  69  -0.368   4.086  -7.369
  545    HB2  LEU  69           2HB      LEU  69   1.777   4.677  -7.304
  546    HB3  LEU  69           3HB      LEU  69   1.965   2.944  -7.216
  547    HG   LEU  69           HG       LEU  69   3.180   2.775  -8.950
  548   HD11  LEU  69          1HD1      LEU  69   2.377   5.072 -10.688
  549   HD12  LEU  69          2HD1      LEU  69   3.508   3.781 -11.016
  550   HD13  LEU  69          3HD1      LEU  69   1.810   3.389 -10.900
  551   HD21  LEU  69          3HD2      LEU  69   4.184   4.561  -7.538
  552   HD22  LEU  69          1HD2      LEU  69   4.805   4.366  -9.169
  553   HD23  LEU  69          2HD2      LEU  69   3.684   5.676  -8.854
  554    H    ILE  70           H        ILE  70  -1.521   3.124 -10.186
  555    HA   ILE  70           HA       ILE  70  -0.038   5.018 -11.837
  556    HB   ILE  70           HB       ILE  70  -2.417   3.373 -12.700
  557   HG12  ILE  70          2HG1      ILE  70   0.459   2.361 -12.749
  558   HG13  ILE  70          3HG1      ILE  70  -0.658   1.949 -11.445
  559   HG21  ILE  70          1HG2      ILE  70  -0.956   3.269 -14.858
  560   HG22  ILE  70          2HG2      ILE  70  -1.701   4.808 -14.500
  561   HG23  ILE  70          3HG2      ILE  70   0.018   4.530 -14.127
  562   HD11  ILE  70          3HD1      ILE  70  -1.361   1.271 -14.203
  563   HD12  ILE  70          1HD1      ILE  70  -0.462   0.190 -13.088
  564   HD13  ILE  70          2HD1      ILE  70  -2.058   0.739 -12.667
  565    H    LEU  71           H        LEU  71  -2.726   5.809  -9.915
  566    HA   LEU  71           HA       LEU  71  -3.252   8.069 -11.768
  567    HB2  LEU  71           2HB      LEU  71  -5.457   6.527 -10.343
  568    HB3  LEU  71           3HB      LEU  71  -5.691   7.773 -11.561
  569    HG   LEU  71           HG       LEU  71  -4.500   5.001 -12.105
  570   HD11  LEU  71          1HD1      LEU  71  -7.352   5.970 -12.381
  571   HD12  LEU  71          2HD1      LEU  71  -6.712   4.467 -13.089
  572   HD13  LEU  71          3HD1      LEU  71  -6.724   4.673 -11.337
  573   HD21  LEU  71          3HD2      LEU  71  -4.803   5.363 -14.414
  574   HD22  LEU  71          1HD2      LEU  71  -5.775   6.841 -14.149
  575   HD23  LEU  71          2HD2      LEU  71  -4.037   6.850 -13.845
  576    HA   PRO  72           HA       PRO  72  -2.903  10.393  -8.017
  577    HB2  PRO  72           2HB      PRO  72  -3.288  12.916  -8.949
  578    HB3  PRO  72           3HB      PRO  72  -1.869  11.939  -9.420
  579    HG2  PRO  72           2HG      PRO  72  -4.443  12.360 -10.960
  580    HG3  PRO  72           3HG      PRO  72  -2.763  12.465 -11.563
  581    HD2  PRO  72           2HD      PRO  72  -4.343  10.212 -11.827
  582    HD3  PRO  72           3HD      PRO  72  -2.561  10.153 -11.695
  583    H    SER  73           H        SER  73  -4.151  12.069  -6.721
  584    HA   SER  73           HA       SER  73  -6.696  11.090  -6.065
  585    HB2  SER  73           2HB      SER  73  -5.141  12.348  -4.565
  586    HB3  SER  73           3HB      SER  73  -5.589  13.843  -5.411
  587    HG   SER  73           HG       SER  73  -6.844  13.558  -3.546
  588    H    GLU  74           H        GLU  74  -8.844  11.776  -6.345
  589    HA   GLU  74           HA       GLU  74  -9.371  13.820  -8.493
  590    HB2  GLU  74           2HB      GLU  74 -10.686  11.083  -8.262
  591    HB3  GLU  74           3HB      GLU  74 -10.978  12.281  -9.517
  592    HG2  GLU  74           2HG      GLU  74  -8.428  10.699  -9.113
  593    HG3  GLU  74           3HG      GLU  74  -9.627  10.445 -10.361
  594    HE2  GLU  74           2HE      GLU  74  -6.774  11.334 -10.153
  595    H    GLU  75           H        GLU  75 -11.841  14.177  -8.692
  596    HA   GLU  75           HA       GLU  75 -13.064  14.539  -5.993
  597    HB2  GLU  75           2HB      GLU  75 -13.610  15.753  -8.714
  598    HB3  GLU  75           3HB      GLU  75 -14.682  15.987  -7.335
  599    HG2  GLU  75           2HG      GLU  75 -11.720  16.715  -7.280
  600    HG3  GLU  75           3HG      GLU  75 -12.998  17.831  -7.739
  601    H    GLU  76           H        GLU  76 -13.119  12.292  -8.443
  602    HA   GLU  76           HA       GLU  76 -15.809  11.217  -7.747
  603    HB2  GLU  76           2HB      GLU  76 -15.531  11.776 -10.124
  604    HB3  GLU  76           3HB      GLU  76 -14.102  10.757 -10.226
  605    HG2  GLU  76           2HG      GLU  76 -16.190   9.771 -11.198
  606    HG3  GLU  76           3HG      GLU  76 -15.392   8.751 -10.023
  607    H    GLY  77           H        GLY  77 -13.892  11.189  -5.962
  608    HA2  GLY  77           2HA      GLY  77 -13.599   8.836  -4.669
  609    HA3  GLY  77           3HA      GLY  77 -12.304   8.731  -5.873
  610    H    ARG  78           H        ARG  78 -10.906   8.777  -3.999
  611    HA   ARG  78           HA       ARG  78 -10.052  11.564  -3.231
  612    HB2  ARG  78           2HB      ARG  78  -9.953   9.109  -1.432
  613    HB3  ARG  78           3HB      ARG  78  -9.291  10.692  -1.036
  614    HG2  ARG  78           2HG      ARG  78 -12.259  10.133  -1.452
  615    HG3  ARG  78           3HG      ARG  78 -11.443  10.055   0.091
  616    HD2  ARG  78           2HD      ARG  78 -12.512  12.194  -0.010
  617    HD3  ARG  78           3HD      ARG  78 -10.763  12.464  -0.135
  618    HE   ARG  78           HE       ARG  78 -12.029  12.192  -2.731
  619   HH11  ARG  78          1HH1      ARG  78 -11.796  14.689  -0.280
  620   HH12  ARG  78          2HH1      ARG  78 -11.857  15.948  -1.492
  621   HH21  ARG  78          1HH2      ARG  78 -11.814  13.743  -4.147
  622   HH22  ARG  78          2HH2      ARG  78 -11.996  15.417  -3.684
  623    H    LEU  79           H        LEU  79  -7.865   9.320  -2.051
  624    HA   LEU  79           HA       LEU  79  -5.995   9.736  -4.262
  625    HB2  LEU  79           2HB      LEU  79  -6.037   7.873  -1.846
  626    HB3  LEU  79           3HB      LEU  79  -4.853   7.692  -3.133
  627    HG   LEU  79           HG       LEU  79  -4.033   9.995  -2.773
  628   HD11  LEU  79          1HD1      LEU  79  -4.600  11.161  -0.647
  629   HD12  LEU  79          2HD1      LEU  79  -5.966  11.101  -1.760
  630   HD13  LEU  79          3HD1      LEU  79  -5.909   9.995  -0.363
  631   HD21  LEU  79          3HD2      LEU  79  -4.038   8.234  -0.283
  632   HD22  LEU  79          1HD2      LEU  79  -2.958   8.061  -1.686
  633   HD23  LEU  79          2HD2      LEU  79  -2.855   9.504  -0.668
  634    H    TYR  80           H        TYR  80  -6.275   8.768  -6.268
  635    HA   TYR  80           HA       TYR  80  -8.389   6.851  -6.496
  636    HB2  TYR  80           2HB      TYR  80  -7.806   8.764  -8.060
  637    HB3  TYR  80           3HB      TYR  80  -6.690   7.643  -8.818
  638    HD1  TYR  80           HD2      TYR  80  -7.721   5.328  -9.571
  639    HD2  TYR  80           HD1      TYR  80 -10.116   8.752  -8.521
  640    HE1  TYR  80           HE2      TYR  80  -9.654   4.355 -10.804
  641    HE2  TYR  80           HE1      TYR  80 -12.023   7.819  -9.802
  642    HH   TYR  80           HH       TYR  80 -12.767   6.090 -11.111
  643    H    PHE  81           H        PHE  81  -8.444   4.768  -7.111
  644    HA   PHE  81           HA       PHE  81  -6.176   3.298  -7.750
  645    HB2  PHE  81           2HB      PHE  81  -7.415   2.192  -5.280
  646    HB3  PHE  81           3HB      PHE  81  -6.046   1.581  -6.158
  647    HD1  PHE  81           HD1      PHE  81  -3.801   2.644  -5.880
  648    HD2  PHE  81           HD2      PHE  81  -7.221   4.106  -3.700
  649    HE1  PHE  81           HE1      PHE  81  -2.300   3.815  -4.298
  650    HE2  PHE  81           HE2      PHE  81  -5.721   5.267  -2.119
  651    HZ   PHE  81           HZ       PHE  81  -3.249   5.128  -2.408
  652    H    SER  82           H        SER  82  -6.320   1.281  -8.346
  653    HA   SER  82           HA       SER  82  -8.872  -0.047  -8.704
  654    HB2  SER  82           2HB      SER  82  -7.413   1.284 -10.960
  655    HB3  SER  82           3HB      SER  82  -8.074  -0.327 -11.277
  656    HG   SER  82           HG       SER  82 -10.080   0.362 -10.648
  657    H    MET  83           H        MET  83  -7.027  -1.716 -10.504
  658    HA   MET  83           HA       MET  83  -6.098  -3.733  -9.645
  659    HB2  MET  83           2HB      MET  83  -8.971  -3.895  -8.756
  660    HB3  MET  83           3HB      MET  83  -8.032  -5.354  -9.044
  661    HG2  MET  83           2HG      MET  83  -6.717  -5.060  -7.186
  662    HG3  MET  83           3HG      MET  83  -6.773  -3.311  -7.296
  663    HE1  MET  83           3HE      MET  83 -10.046  -5.872  -5.251
  664    HE2  MET  83           1HE      MET  83  -9.674  -6.037  -6.981
  665    HE3  MET  83           2HE      MET  83  -8.463  -6.496  -5.752
  666    H    ASP  84           H        ASP  84  -6.724  -5.777 -11.075
  667    HA   ASP  84           HA       ASP  84  -7.377  -4.883 -13.726
  668    HB2  ASP  84           2HB      ASP  84  -5.990  -6.879 -13.197
  669    HB3  ASP  84           3HB      ASP  84  -7.441  -7.720 -12.641
  670    H    ASP  85           H        ASP  85  -9.447  -6.062 -11.074
  671    HA   ASP  85           HA       ASP  85 -11.808  -5.243 -12.683
  672    HB2  ASP  85           2HB      ASP  85 -11.478  -7.733 -12.806
  673    HB3  ASP  85           3HB      ASP  85 -11.680  -7.808 -11.058
  674    H    GLY  86           H        GLY  86 -10.510  -3.640 -10.758
  675    HA2  GLY  86           2HA      GLY  86 -12.622  -3.373  -8.686
  676    HA3  GLY  86           3HA      GLY  86 -10.985  -3.547  -8.108
  677    H    GLN  87           H        GLN  87 -12.326  -1.483  -7.298
  678    HA   GLN  87           HA       GLN  87 -11.249   0.963  -8.646
  679    HB2  GLN  87           2HB      GLN  87 -13.496   2.001  -8.328
  680    HB3  GLN  87           3HB      GLN  87 -13.492   0.693  -9.503
  681    HG2  GLN  87           2HG      GLN  87 -14.595  -0.827  -8.051
  682    HG3  GLN  87           3HG      GLN  87 -14.266   0.103  -6.609
  683   HE21  GLN  87          1HE2      GLN  87 -16.726  -0.649  -8.777
  684   HE22  GLN  87          2HE2      GLN  87 -17.733   0.767  -8.508
  685    H    THR  88           H        THR  88  -9.791   0.244  -6.555
  686    HA   THR  88           HA       THR  88 -11.055   1.092  -4.128
  687    HB   THR  88           HB       THR  88  -8.955   0.239  -2.983
  688    HG1  THR  88           1HG      THR  88  -7.629  -0.951  -4.374
  689   HG21  THR  88          1HG2      THR  88 -10.464  -1.582  -4.954
  690   HG22  THR  88          2HG2      THR  88  -9.572  -2.112  -3.506
  691   HG23  THR  88          3HG2      THR  88 -11.038  -1.115  -3.359
  692    H    ARG  89           H        ARG  89  -9.842   3.009  -6.035
  693    HA   ARG  89           HA       ARG  89  -8.940   5.238  -5.224
  694    HB2  ARG  89           2HB      ARG  89 -10.605   6.442  -6.614
  695    HB3  ARG  89           3HB      ARG  89 -10.400   4.825  -7.270
  696    HG2  ARG  89           2HG      ARG  89 -12.469   4.162  -5.849
  697    HG3  ARG  89           3HG      ARG  89 -12.730   5.880  -5.600
  698    HD2  ARG  89           2HD      ARG  89 -12.997   6.253  -7.981
  699    HD3  ARG  89           3HD      ARG  89 -12.509   4.593  -8.342
  700    HE   ARG  89           HE       ARG  89 -14.543   3.761  -7.268
  701   HH11  ARG  89          1HH1      ARG  89 -14.724   7.219  -7.982
  702   HH12  ARG  89          2HH1      ARG  89 -16.451   7.171  -8.141
  703   HH21  ARG  89          1HH2      ARG  89 -16.685   3.781  -7.474
  704   HH22  ARG  89          2HH2      ARG  89 -17.548   5.281  -7.787
  705    H    PHE  90           H        PHE  90  -9.828   4.466  -2.577
  706    HA   PHE  90           HA       PHE  90 -10.953   7.100  -1.728
  707    HB2  PHE  90           2HB      PHE  90 -12.463   5.128  -1.309
  708    HB3  PHE  90           3HB      PHE  90 -11.223   4.457  -0.252
  709    HD1  PHE  90           HD2      PHE  90 -13.237   7.600  -0.810
  710    HD2  PHE  90           HD1      PHE  90 -11.316   5.020   2.066
  711    HE1  PHE  90           HE2      PHE  90 -14.098   9.013   1.043
  712    HE2  PHE  90           HE1      PHE  90 -12.187   6.429   3.909
  713    HZ   PHE  90           HZ       PHE  90 -13.567   8.433   3.403
  714    H    THR  91           H        THR  91 -10.191   7.652   0.601
  715    HA   THR  91           HA       THR  91  -7.448   8.184   0.466
  716    HB   THR  91           HB       THR  91  -9.184   8.139   2.955
  717    HG1  THR  91           1HG      THR  91  -9.555  10.309   2.338
  718   HG21  THR  91          1HG2      THR  91  -7.758  10.054   3.674
  719   HG22  THR  91          2HG2      THR  91  -6.808   8.575   3.520
  720   HG23  THR  91          3HG2      THR  91  -6.727   9.816   2.247
  721    H    ASP  92           H        ASP  92  -5.577   7.337   1.359
  722    HA   ASP  92           HA       ASP  92  -5.572   4.476   1.757
  723    HB2  ASP  92           2HB      ASP  92  -3.841   5.597   0.495
  724    HB3  ASP  92           3HB      ASP  92  -3.405   6.596   1.885
  725    H    LEU  93           H        LEU  93  -4.740   7.221   3.975
  726    HA   LEU  93           HA       LEU  93  -4.111   5.518   6.137
  727    HB2  LEU  93           2HB      LEU  93  -3.385   7.865   5.944
  728    HB3  LEU  93           3HB      LEU  93  -5.046   8.417   6.169
  729    HG   LEU  93           HG       LEU  93  -5.057   7.501   8.474
  730   HD11  LEU  93          1HD1      LEU  93  -3.465   5.639   8.283
  731   HD12  LEU  93          2HD1      LEU  93  -2.146   6.776   7.913
  732   HD13  LEU  93          3HD1      LEU  93  -2.914   6.774   9.515
  733   HD21  LEU  93          3HD2      LEU  93  -2.654   9.277   7.891
  734   HD22  LEU  93          1HD2      LEU  93  -4.337   9.823   8.061
  735   HD23  LEU  93          2HD2      LEU  93  -3.494   9.119   9.450
  736    H    LEU  94           H        LEU  94  -7.233   7.002   5.261
  737    HA   LEU  94           HA       LEU  94  -8.691   6.055   7.566
  738    HB2  LEU  94           2HB      LEU  94  -9.689   6.672   4.751
  739    HB3  LEU  94           3HB      LEU  94 -10.704   6.426   6.168
  740    HG   LEU  94           HG       LEU  94  -8.746   8.722   5.752
  741   HD11  LEU  94          1HD1      LEU  94 -10.768  10.102   5.686
  742   HD12  LEU  94          2HD1      LEU  94 -10.845   8.854   4.433
  743   HD13  LEU  94          3HD1      LEU  94 -11.786   8.665   5.924
  744   HD21  LEU  94          3HD2      LEU  94  -9.746   9.672   7.831
  745   HD22  LEU  94          1HD2      LEU  94 -10.589   8.132   8.110
  746   HD23  LEU  94          2HD2      LEU  94  -8.810   8.211   8.144
  747    H    GLN  95           H        GLN  95  -7.930   4.454   4.387
  748    HA   GLN  95           HA       GLN  95  -9.515   2.168   4.948
  749    HB2  GLN  95           2HB      GLN  95  -7.370   3.020   3.003
  750    HB3  GLN  95           3HB      GLN  95  -7.712   1.328   3.185
  751    HG2  GLN  95           2HG      GLN  95 -10.137   1.752   2.733
  752    HG3  GLN  95           3HG      GLN  95  -9.766   3.465   2.512
  753   HE21  GLN  95          1HE2      GLN  95  -8.225   3.999   0.665
  754   HE22  GLN  95          2HE2      GLN  95  -8.309   2.942  -0.742
  755    H    LEU  96           H        LEU  96  -6.046   2.937   5.520
  756    HA   LEU  96           HA       LEU  96  -5.413   0.363   6.548
  757    HB2  LEU  96           2HB      LEU  96  -3.841   2.065   5.659
  758    HB3  LEU  96           3HB      LEU  96  -4.107   3.090   7.059
  759    HG   LEU  96           HG       LEU  96  -2.981   0.271   7.329
  760   HD11  LEU  96          1HD1      LEU  96  -1.571   1.538   5.730
  761   HD12  LEU  96          2HD1      LEU  96  -1.427   2.863   6.902
  762   HD13  LEU  96          3HD1      LEU  96  -0.728   1.265   7.259
  763   HD21  LEU  96          3HD2      LEU  96  -2.746   2.780   9.064
  764   HD22  LEU  96          1HD2      LEU  96  -3.600   1.279   9.486
  765   HD23  LEU  96          2HD2      LEU  96  -1.852   1.269   9.337
  766    H    VAL  97           H        VAL  97  -6.570   3.293   8.255
  767    HA   VAL  97           HA       VAL  97  -6.505   1.968  10.850
  768    HB   VAL  97           HB       VAL  97  -7.842   4.544   9.971
  769   HG11  VAL  97          1HG1      VAL  97  -9.010   3.702  11.972
  770   HG12  VAL  97          2HG1      VAL  97  -7.452   3.398  12.776
  771   HG13  VAL  97          3HG1      VAL  97  -7.970   5.056  12.407
  772   HG21  VAL  97          3HG2      VAL  97  -5.303   4.002  11.588
  773   HG22  VAL  97          1HG2      VAL  97  -5.344   4.564   9.907
  774   HG23  VAL  97          2HG2      VAL  97  -5.974   5.599  11.189
  775    H    GLU  98           H        GLU  98  -9.400   3.089   8.985
  776    HA   GLU  98           HA       GLU  98 -11.091   1.277  10.585
  777    HB2  GLU  98           2HB      GLU  98 -11.831   3.526  10.304
  778    HB3  GLU  98           3HB      GLU  98 -11.585   3.492   8.558
  779    HG2  GLU  98           2HG      GLU  98 -13.416   1.997   8.214
  780    HG3  GLU  98           3HG      GLU  98 -13.625   1.743   9.957
  781    H    PHE  99           H        PHE  99 -10.148   1.240   7.093
  782    HA   PHE  99           HA       PHE  99 -12.251  -0.792   6.674
  783    HB2  PHE  99           2HB      PHE  99 -10.138   0.171   4.729
  784    HB3  PHE  99           3HB      PHE  99 -11.384  -0.977   4.395
  785    HD1  PHE  99           HD2      PHE  99 -11.601   2.485   6.027
  786    HD2  PHE  99           HD1      PHE  99 -12.817  -0.170   2.838
  787    HE1  PHE  99           HE2      PHE  99 -13.061   4.239   5.119
  788    HE2  PHE  99           HE1      PHE  99 -14.273   1.613   1.930
  789    HZ   PHE  99           HZ       PHE  99 -14.393   3.827   3.061
  790    H    HIS 100           H        HIS 100  -8.759  -0.945   7.181
  791    HA   HIS 100           HA       HIS 100  -7.913  -3.173   6.060
  792    HB2  HIS 100           2HB      HIS 100  -6.213  -3.378   7.621
  793    HB3  HIS 100           3HB      HIS 100  -6.679  -1.703   7.718
  794    HD1  HIS 100           HD1      HIS 100  -7.718  -0.926  10.158
  795    HD2  HIS 100           HD2      HIS 100  -6.624  -4.990   9.726
  796    HE1  HIS 100           HE1      HIS 100  -7.751  -1.942  12.510
  797    HE2  HIS 100           HE2      HIS 100  -7.071  -4.414  12.248
  798    H    GLN 101           H        GLN 101  -9.982  -3.586   8.970
  799    HA   GLN 101           HA       GLN 101  -9.498  -6.441   8.966
  800    HB2  GLN 101           2HB      GLN 101 -10.810  -6.599  10.861
  801    HB3  GLN 101           3HB      GLN 101  -9.947  -5.081  10.996
  802    HG2  GLN 101           2HG      GLN 101 -12.895  -5.481  10.346
  803    HG3  GLN 101           3HG      GLN 101 -12.211  -4.856  11.837
  804   HE21  GLN 101          2HE2      GLN 101 -11.056  -2.655  11.697
  805   HE22  GLN 101          1HE2      GLN 101 -11.637  -1.545  10.438
  806    H    LEU 102           H        LEU 102 -11.784  -4.528   7.200
  807    HA   LEU 102           HA       LEU 102 -12.914  -6.926   5.901
  808    HB2  LEU 102           2HB      LEU 102 -14.576  -4.782   7.289
  809    HB3  LEU 102           3HB      LEU 102 -15.233  -5.885   6.086
  810    HG   LEU 102           HG       LEU 102 -14.081  -6.775   8.756
  811   HD11  LEU 102          1HD1      LEU 102 -16.417  -7.194   9.361
  812   HD12  LEU 102          2HD1      LEU 102 -16.155  -5.481   8.997
  813   HD13  LEU 102          3HD1      LEU 102 -16.957  -6.525   7.804
  814   HD21  LEU 102          3HD2      LEU 102 -15.191  -8.929   8.203
  815   HD22  LEU 102          1HD2      LEU 102 -15.614  -8.299   6.595
  816   HD23  LEU 102          2HD2      LEU 102 -13.913  -8.556   7.046
  817    H    ASN 103           H        ASN 103 -11.075  -5.640   4.612
  818    HA   ASN 103           HA       ASN 103 -12.163  -3.330   3.122
  819    HB2  ASN 103           2HB      ASN 103  -9.803  -3.527   4.224
  820    HB3  ASN 103           3HB      ASN 103  -9.380  -4.508   2.842
  821   HD21  ASN 103          2HD2      ASN 103  -7.874  -2.333   3.080
  822   HD22  ASN 103          1HD2      ASN 103  -8.418  -1.046   2.000
  823    H    ARG 104           H        ARG 104 -10.625  -3.751   0.720
  824    HA   ARG 104           HA       ARG 104 -12.210  -5.831  -0.723
  825    HB2  ARG 104           2HB      ARG 104 -10.737  -3.311  -1.596
  826    HB3  ARG 104           3HB      ARG 104 -11.290  -4.525  -2.737
  827    HG2  ARG 104           2HG      ARG 104 -12.946  -2.860  -2.731
  828    HG3  ARG 104           3HG      ARG 104 -13.620  -4.266  -1.925
  829    HD2  ARG 104           2HD      ARG 104 -14.357  -2.286  -0.777
  830    HD3  ARG 104           3HD      ARG 104 -13.284  -3.150   0.284
  831    HE   ARG 104           HE       ARG 104 -11.686  -1.432   0.151
  832   HH11  ARG 104          1HH1      ARG 104 -14.372  -0.677  -1.978
  833   HH12  ARG 104          2HH1      ARG 104 -13.867   0.970  -2.203
  834   HH21  ARG 104          1HH2      ARG 104 -10.993   0.654  -0.298
  835   HH22  ARG 104          2HH2      ARG 104 -12.034   1.714  -1.210
  836    H    GLY 105           H        GLY 105  -9.328  -5.854   0.779
  837    HA2  GLY 105           2HA      GLY 105  -7.207  -6.821   0.502
  838    HA3  GLY 105           3HA      GLY 105  -8.237  -8.107  -0.023
  839    H    ILE 106           H        ILE 106  -6.817  -9.054  -1.288
  840    HA   ILE 106           HA       ILE 106  -5.533  -7.772  -3.609
  841    HB   ILE 106           HB       ILE 106  -4.407  -9.528  -2.260
  842   HG12  ILE 106          2HG1      ILE 106  -3.696 -11.099  -4.029
  843   HG13  ILE 106          3HG1      ILE 106  -4.888 -10.458  -5.119
  844   HG21  ILE 106          1HG2      ILE 106  -6.672 -11.328  -3.187
  845   HG22  ILE 106          2HG2      ILE 106  -5.141 -11.928  -2.529
  846   HG23  ILE 106          3HG2      ILE 106  -6.195 -10.931  -1.531
  847   HD11  ILE 106          3HD1      ILE 106  -3.750  -8.261  -5.081
  848   HD12  ILE 106          1HD1      ILE 106  -2.590  -8.894  -3.873
  849   HD13  ILE 106          2HD1      ILE 106  -2.626  -9.567  -5.508
  850    H    LEU 107           H        LEU 107  -5.942  -8.409  -5.854
  851    HA   LEU 107           HA       LEU 107  -8.364  -8.392  -6.983
  852    HB2  LEU 107           2HB      LEU 107  -5.763  -9.526  -7.726
  853    HB3  LEU 107           3HB      LEU 107  -7.088 -10.341  -8.546
  854    HG   LEU 107           HG       LEU 107  -6.815  -7.320  -8.514
  855   HD11  LEU 107          1HD1      LEU 107  -5.835  -9.336 -10.581
  856   HD12  LEU 107          2HD1      LEU 107  -5.834  -7.572 -10.780
  857   HD13  LEU 107          3HD1      LEU 107  -4.816  -8.303  -9.543
  858   HD21  LEU 107          3HD2      LEU 107  -8.297  -7.515 -10.504
  859   HD22  LEU 107          1HD2      LEU 107  -8.357  -9.269 -10.295
  860   HD23  LEU 107          2HD2      LEU 107  -9.080  -8.199  -9.077
  861    HA   PRO 108           HA       PRO 108 -10.002 -12.655  -6.470
  862    HB2  PRO 108           2HB      PRO 108  -8.562 -14.881  -6.807
  863    HB3  PRO 108           3HB      PRO 108  -8.613 -13.596  -8.051
  864    HG2  PRO 108           2HG      PRO 108  -6.379 -14.274  -6.169
  865    HG3  PRO 108           3HG      PRO 108  -6.317 -13.575  -7.810
  866    HD2  PRO 108           2HD      PRO 108  -6.314 -12.212  -5.240
  867    HD3  PRO 108           3HD      PRO 108  -6.144 -11.519  -6.854
  868    H    CYS 109           H        CYS 109  -7.318 -13.199  -4.057
  869    HA   CYS 109           HA       CYS 109  -8.889 -15.080  -2.552
  870    HB2  CYS 109           2HB      CYS 109  -6.057 -13.983  -2.394
  871    HB3  CYS 109           3HB      CYS 109  -6.714 -15.305  -1.450
  872    HG   CYS 109           HG       CYS 109  -5.170 -16.251  -3.319
  873    H    LEU 110           H        LEU 110  -7.063 -13.819  -0.160
  874    HA   LEU 110           HA       LEU 110  -9.289 -13.169   1.431
  875    HB2  LEU 110           2HB      LEU 110  -6.303 -12.824   1.722
  876    HB3  LEU 110           3HB      LEU 110  -7.331 -12.037   2.875
  877    HG   LEU 110           HG       LEU 110  -6.428 -14.213   3.632
  878   HD11  LEU 110          1HD1      LEU 110  -8.492 -14.976   4.684
  879   HD12  LEU 110          2HD1      LEU 110  -8.447 -13.209   4.647
  880   HD13  LEU 110          3HD1      LEU 110  -9.473 -14.100   3.495
  881   HD21  LEU 110          3HD2      LEU 110  -7.426 -16.312   2.917
  882   HD22  LEU 110          1HD2      LEU 110  -8.409 -15.484   1.693
  883   HD23  LEU 110          2HD2      LEU 110  -6.635 -15.529   1.542
  884    H    LEU 111           H        LEU 111 -10.329 -11.432   2.054
  885    HA   LEU 111           HA       LEU 111  -9.987  -8.961   0.550
  886    HB2  LEU 111           2HB      LEU 111 -12.178  -8.437   1.074
  887    HB3  LEU 111           3HB      LEU 111 -12.106 -10.115   0.621
  888    HG   LEU 111           HG       LEU 111 -13.735  -9.802   2.311
  889   HD11  LEU 111          1HD1      LEU 111 -11.409 -11.170   3.718
  890   HD12  LEU 111          2HD1      LEU 111 -13.141 -11.410   3.987
  891   HD13  LEU 111          3HD1      LEU 111 -12.425 -11.915   2.449
  892   HD21  LEU 111          3HD2      LEU 111 -12.657  -7.748   3.356
  893   HD22  LEU 111          1HD2      LEU 111 -13.478  -8.885   4.445
  894   HD23  LEU 111          2HD2      LEU 111 -11.711  -8.863   4.356
  895    H    ARG 112           H        ARG 112  -8.927  -9.893   3.623
  896    HA   ARG 112           HA       ARG 112  -9.072  -7.126   4.752
  897    HB2  ARG 112           2HB      ARG 112  -8.754  -8.090   6.911
  898    HB3  ARG 112           3HB      ARG 112 -10.039  -8.966   6.086
  899    HG2  ARG 112           2HG      ARG 112  -8.269 -10.738   5.480
  900    HG3  ARG 112           3HG      ARG 112  -7.179  -9.898   6.590
  901    HD2  ARG 112           2HD      ARG 112  -9.890 -11.115   7.275
  902    HD3  ARG 112           3HD      ARG 112  -8.335 -11.837   7.651
  903    HE   ARG 112           HE       ARG 112  -9.691  -9.636   9.033
  904   HH11  ARG 112          1HH1      ARG 112  -6.574 -11.223   8.704
  905   HH12  ARG 112          2HH1      ARG 112  -6.017 -10.650  10.250
  906   HH21  ARG 112          1HH2      ARG 112  -8.924  -8.977  11.014
  907   HH22  ARG 112          2HH2      ARG 112  -7.313  -9.392  11.510
  908    H    HIS 113           H        HIS 113  -7.249  -6.304   5.952
  909    HA   HIS 113           HA       HIS 113  -4.556  -7.168   4.944
  910    HB2  HIS 113           2HB      HIS 113  -5.325  -4.251   5.258
  911    HB3  HIS 113           3HB      HIS 113  -3.887  -4.948   4.593
  912    HD2  HIS 113           HD2      HIS 113  -3.845  -5.764   2.110
  913    HE1  HIS 113           HE1      HIS 113  -7.439  -3.806   0.945
  914    HE2  HIS 113           HE2      HIS 113  -5.341  -4.943   0.097
  915    H    CYS 114           H        CYS 114  -2.810  -6.601   6.128
  916    HA   CYS 114           HA       CYS 114  -3.023  -5.432   8.794
  917    HB2  CYS 114           2HB      CYS 114  -1.313  -7.760   8.979
  918    HB3  CYS 114           3HB      CYS 114  -2.675  -7.243   9.973
  919    HG   CYS 114           HG       CYS 114  -4.573  -8.270   8.578
  920    H    CYS 115           H        CYS 115  -0.614  -5.102   9.628
  921    HA   CYS 115           HA       CYS 115   0.793  -3.949   7.258
  922    HB2  CYS 115           2HB      CYS 115   1.015  -3.341  10.217
  923    HB3  CYS 115           3HB      CYS 115   1.926  -2.530   8.925
  924    HG   CYS 115           HG       CYS 115  -0.163  -1.047   9.786
  925    H    THR 116           H        THR 116   2.667  -4.631   6.493
  926    HA   THR 116           HA       THR 116   4.215  -6.709   7.979
  927    HB   THR 116           HB       THR 116   3.350  -7.122   5.626
  928    HG1  THR 116           1HG      THR 116   5.596  -7.996   5.149
  929   HG21  THR 116          1HG2      THR 116   5.874  -5.669   4.746
  930   HG22  THR 116          2HG2      THR 116   4.616  -6.416   3.749
  931   HG23  THR 116          3HG2      THR 116   4.272  -4.925   4.641
  932    H    ARG 117           H        ARG 117   6.644  -6.627   7.171
  933    HA   ARG 117           HA       ARG 117   7.843  -4.445   8.656
  934    HB2  ARG 117           2HB      ARG 117   9.094  -6.543   6.819
  935    HB3  ARG 117           3HB      ARG 117  10.023  -5.436   7.825
  936    HG2  ARG 117           2HG      ARG 117   8.073  -7.528   8.867
  937    HG3  ARG 117           3HG      ARG 117   9.834  -7.663   8.820
  938    HD2  ARG 117           2HD      ARG 117   9.984  -5.653  10.342
  939    HD3  ARG 117           3HD      ARG 117   8.224  -5.661  10.454
  940    HE   ARG 117           HE       ARG 117   8.253  -7.538  11.807
  941   HH11  ARG 117          1HH1      ARG 117  11.550  -7.025  10.704
  942   HH12  ARG 117          2HH1      ARG 117  12.203  -8.147  11.865
  943   HH21  ARG 117          1HH2      ARG 117   9.157  -8.951  13.250
  944   HH22  ARG 117          2HH2      ARG 117  10.877  -9.209  13.265
  945    H    VAL 118           H        VAL 118   9.340  -2.940   8.016
  946    HA   VAL 118           HA       VAL 118   8.579  -1.453   5.594
  947    HB   VAL 118           HB       VAL 118  10.021   0.321   6.441
  948   HG11  VAL 118          1HG1      VAL 118   8.717   0.920   8.394
  949   HG12  VAL 118          2HG1      VAL 118   7.681   0.187   7.163
  950   HG13  VAL 118          3HG1      VAL 118   8.160  -0.757   8.590
  951   HG21  VAL 118          3HG2      VAL 118  11.769  -1.024   7.590
  952   HG22  VAL 118          1HG2      VAL 118  11.079   0.226   8.631
  953   HG23  VAL 118          2HG2      VAL 118  10.592  -1.463   8.849
  954    H    ALA 119           H        ALA 119  10.293  -0.379   4.232
  955    HA   ALA 119           HA       ALA 119  12.068  -2.388   3.108
  956    HB1  ALA 119           3HB      ALA 119  12.587  -0.627   1.480
  957    HB2  ALA 119           1HB      ALA 119  10.834  -0.788   1.705
  958    HB3  ALA 119           2HB      ALA 119  11.714   0.565   2.461
  959    H    LEU 120           H        LEU 120  14.357  -1.888   2.624
  960    HA   LEU 120           HA       LEU 120  15.817  -0.717   4.945
  961    HB2  LEU 120           2HB      LEU 120  15.824  -3.189   4.949
  962    HB3  LEU 120           3HB      LEU 120  16.458  -3.193   3.304
  963    HG   LEU 120           HG       LEU 120  18.546  -2.093   4.101
  964   HD11  LEU 120          1HD1      LEU 120  19.013  -2.063   6.543
  965   HD12  LEU 120          2HD1      LEU 120  17.722  -0.940   6.111
  966   HD13  LEU 120          3HD1      LEU 120  17.319  -2.497   6.867
  967   HD21  LEU 120          3HD2      LEU 120  18.377  -4.546   3.914
  968   HD22  LEU 120          1HD2      LEU 120  19.434  -4.073   5.253
  969   HD23  LEU 120          2HD2      LEU 120  17.783  -4.641   5.586
  970    H2   PRO1135           H2       PRO1135   2.143 -11.848 -19.932
  971    H3   PRO1135           H3       PRO1135   3.775 -11.984 -20.130
  972    HA   PRO1135           HA       PRO1135   4.176  -9.780 -19.442
  973    HB2  PRO1135           2HB      PRO1135   1.219  -9.164 -19.358
  974    HB3  PRO1135           3HB      PRO1135   2.600  -8.089 -19.733
  975    HG2  PRO1135           2HG      PRO1135   0.978  -9.643 -21.576
  976    HG3  PRO1135           3HG      PRO1135   2.414  -8.661 -21.992
  977    HD2  PRO1135           2HD      PRO1135   2.367 -11.414 -22.231
  978    HD3  PRO1135           3HD      PRO1135   3.837 -10.466 -21.907
  979    H    GLN1136           H        GLN1136   3.709  -8.630 -17.330
  980    HA   GLN1136           HA       GLN1136   2.547 -10.378 -15.218
  981    HB2  GLN1136           2HB      GLN1136   5.344  -9.139 -15.233
  982    HB3  GLN1136           3HB      GLN1136   4.535  -9.718 -13.792
  983    HG2  GLN1136           2HG      GLN1136   5.867 -11.510 -14.318
  984    HG3  GLN1136           3HG      GLN1136   4.305 -11.999 -14.949
  985   HE21  GLN1136          2HE2      GLN1136   5.868 -13.568 -16.097
  986   HE22  GLN1136          1HE2      GLN1136   6.561 -13.015 -17.614
  987    HA   PRO1137           HA       PRO1137   0.791  -6.543 -13.785
  988    HB2  PRO1137           2HB      PRO1137   0.418  -6.992 -11.119
  989    HB3  PRO1137           3HB      PRO1137  -0.527  -7.822 -12.394
  990    HG2  PRO1137           2HG      PRO1137   1.948  -8.848 -10.955
  991    HG3  PRO1137           3HG      PRO1137   0.382  -9.690 -11.191
  992    HD2  PRO1137           2HD      PRO1137   2.477 -10.144 -12.837
  993    HD3  PRO1137           3HD      PRO1137   0.814 -10.050 -13.490
  994    H    GLU1138           H        GLU1138   1.287  -4.592 -12.687
  995    HA   GLU1138           HA       GLU1138   3.676  -4.485 -11.010
  996    HB2  GLU1138           2HB      GLU1138   4.849  -2.737 -12.176
  997    HB3  GLU1138           3HB      GLU1138   4.814  -4.260 -13.049
  998    HG2  GLU1138           2HG      GLU1138   3.084  -3.365 -14.572
  999    HG3  GLU1138           3HG      GLU1138   3.143  -1.814 -13.720
 1000    H    PTR1139           H        PTR1139   1.423  -2.044 -12.586
 1001    HA   PTR1139           HA       PTR1139   1.106  -1.080  -9.894
 1002    HB2  PTR1139           2HB      PTR1139   1.889   0.588 -12.156
 1003    HB3  PTR1139           3HB      PTR1139   1.114   1.260 -10.708
 1004    HD1  PTR1139           1HD      PTR1139   2.044   0.063  -8.400
 1005    HD2  PTR1139           2HD      PTR1139   4.155   1.306 -11.967
 1006    HE1  PTR1139           1HE      PTR1139   4.073   0.495  -7.095
 1007    HE2  PTR1139           2HE      PTR1139   6.013   2.206 -10.513
 1008    H    VAL1140           H        VAL1140  -0.397  -2.494 -11.268
 1009    HA   VAL1140           HA       VAL1140  -2.453  -3.516 -11.384
 1010    HB   VAL1140           HB       VAL1140  -2.278  -2.679  -8.402
 1011   HG11  VAL1140          1HG1      VAL1140  -4.240  -4.738  -9.445
 1012   HG12  VAL1140          2HG1      VAL1140  -3.683  -4.658  -7.770
 1013   HG13  VAL1140          3HG1      VAL1140  -4.545  -3.276  -8.415
 1014   HG21  VAL1140          3HG2      VAL1140  -1.843  -5.381  -9.777
 1015   HG22  VAL1140          1HG2      VAL1140  -0.541  -4.235  -9.426
 1016   HG23  VAL1140          2HG2      VAL1140  -1.432  -4.952  -8.089
 1017    H    ASN1141           H        ASN1141  -2.883  -0.263 -10.851
 1018    HA   ASN1141           HA       ASN1141  -5.777  -0.519 -11.352
 1019    HB2  ASN1141           2HB      ASN1141  -3.954   1.566 -12.521
 1020    HB3  ASN1141           3HB      ASN1141  -5.651   1.713 -12.361
 1021   HD21  ASN1141          1HD2      ASN1141  -2.729   1.251 -10.097
 1022   HD22  ASN1141          2HD2      ASN1141  -3.414   2.417  -8.976
 1023    H    GLN1142           H        GLN1142  -2.639  -0.789 -13.076
 1024    HA   GLN1142           HA       GLN1142  -3.602  -2.893 -14.715
 1025    HB2  GLN1142           2HB      GLN1142  -1.850  -0.419 -15.254
 1026    HB3  GLN1142           3HB      GLN1142  -2.024  -1.600 -16.524
 1027    HG2  GLN1142           2HG      GLN1142  -3.396  -0.051 -17.447
 1028    HG3  GLN1142           3HG      GLN1142  -4.595  -0.944 -16.528
 1029   HE21  GLN1142          2HE2      GLN1142  -2.392   1.962 -16.209
 1030   HE22  GLN1142          1HE2      GLN1142  -3.631   2.912 -15.372
 1031    HA   PRO1143           HA       PRO1143   0.899  -3.883 -14.611
 1032    HB2  PRO1143           2HB      PRO1143   1.314  -4.997 -17.076
 1033    HB3  PRO1143           3HB      PRO1143   0.446  -5.890 -15.802
 1034    HG2  PRO1143           2HG      PRO1143  -0.792  -4.246 -18.029
 1035    HG3  PRO1143           3HG      PRO1143  -1.152  -5.942 -17.579
 1036    HD2  PRO1143           2HD      PRO1143  -2.643  -3.853 -16.661
 1037    HD3  PRO1143           3HD      PRO1143  -2.317  -5.283 -15.643
 1038    H    ASP1144           H        ASP1144   0.301  -1.464 -14.614
 1039    HA   ASP1144           HA       ASP1144   0.435   0.619 -15.062
 1040    HB2  ASP1144           2HB      ASP1144   2.766   0.286 -14.742
 1041    HB3  ASP1144           3HB      ASP1144   3.004  -0.230 -16.412