*HEADER    TRANSCRIPTION                           16-JUL-13   2MAO              
*TITLE     NMR STRUCTURE OF REGION 2 OF E. COLI SIGMAE                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA POLYMERASE SIGMA FACTOR;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 536056;                                              
*SOURCE   4 STRAIN: K12;                                                         
*SOURCE   5 GENE: RPOE, ECDH1_1095, ECDH1ME8569_2500;                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET26BII                                   
*KEYWDS    ECF SIGMA FACTOR, TRANSCRIPTION                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    18                                                                    
*AUTHOR    S.CAMPAGNE, J.A.VORHOLT, F.H-T.ALLAIN                                 
*REVDAT   1   19-FEB-14 2MAO    0                                                


#
# 4 GLN HA 5 LEU H 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  64, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 4 GLN HA 5 LEU HA 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  66, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 4 GLN HB2 5 LEU HG 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  71, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 4 GLN HB3 5 LEU HB2 5.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  68, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 5 LEU H 5 LEU QD2 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=  77,  78,  79,
 &end
#
# 5 LEU H 6 THR H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  83, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 5 LEU HA 5 LEU QD2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=  77,  78,  79,
 &end
#
# 5 LEU HA 8 GLN HB3 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 114, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 5 LEU HA 9 VAL HB 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 130, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 5 LEU HA 9 VAL QG1 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 132, 133, 134,
 &end
#
# 5 LEU HA 9 VAL QG2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 136, 137, 138,
 &end
#
# 5 LEU HB2 5 LEU QD2 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  77,  78,  79,
 &end
#
# 5 LEU HB2 6 THR H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  83, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 5 LEU HB2 9 VAL H 6.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  68, 126, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 5 LEU HB2 9 VAL QG1 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 132, 133, 134,
 &end
#
# 5 LEU HB3 10 LEU H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  69, 142, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 5 LEU HB3 5 LEU QD1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=  73,  74,  75,
 &end
#
# 5 LEU HB3 5 LEU QD2 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=  77,  78,  79,
 &end
#
# 5 LEU HB3 6 THR H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  83, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 5 LEU HB3 6 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  85, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 LEU HB3 9 VAL QG1 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 132, 133, 134,
 &end
#
# 5 LEU HB3 9 VAL QG2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 136, 137, 138,
 &end
#
# 5 LEU QD1 9 VAL QG1 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  73,  74,  75,
 igr2= 132, 133, 134,
 &end
#
# 5 LEU QD1 9 VAL QG2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  73,  74,  75,
 igr2= 136, 137, 138,
 &end
#
# 5 LEU QD2 6 THR H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  77,  78,  79,
 &end
#
# 6 THR H 6 THR HB 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  87, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6 THR H 7 ASP H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  97, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 6 THR H 8 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 6 THR H 8 GLN HB3 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 114, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 6 THR H 9 VAL H 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 126, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 6 THR H 9 VAL QG1 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 132, 133, 134,
 &end
#
# 6 THR HA 6 THR QG2 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=  89,  90,  91,
 &end
#
# 6 THR HA 7 ASP H 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  97, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 6 THR HA 8 GLN H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 109, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 6 THR HA 9 VAL H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 126, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 6 THR HB 7 ASP H 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  87,  97, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 6 THR HB 8 GLN H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  87, 109, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 6 THR QG2 10 LEU HB2 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=  89,  90,  91,
 &end
#
# 6 THR QG2 10 LEU QD1 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  89,  90,  91,
 igr2= 151, 152, 153,
 &end
#
# 6 THR QG2 10 LEU QD2 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  89,  90,  91,
 igr2= 155, 156, 157,
 &end
#
# 6 THR QG2 7 ASP H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=  89,  90,  91,
 &end
#
# 6 THR QG2 7 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  89,  90,  91,
 &end
#
# 6 THR QG2 8 GLN H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=  89,  90,  91,
 &end
#
# 6 THR QG2 9 VAL H 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  89,  90,  91,
 &end
#
# 7 ASP H 7 ASP HB2 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 101, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 7 ASP H 7 ASP HB3 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 102, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 7 ASP H 8 GLN H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 109, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 7 ASP H 8 GLN HB3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 114, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 7 ASP H 9 VAL H 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 126, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 7 ASP HA 10 LEU H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 142, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 7 ASP HA 10 LEU QD2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 155, 156, 157,
 &end
#
# 7 ASP HA 11 VAL H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 161, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 7 ASP HA 11 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 171, 172, 173,
 &end
#
# 7 ASP HA 25 LEU QD1 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 401, 402, 403,
 &end
#
# 7 ASP HA 25 LEU QD2 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 405, 406, 407,
 &end
#
# 7 ASP HA 8 GLN HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 111, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 7 ASP HB2 11 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 171, 172, 173,
 &end
#
# 7 ASP HB2 25 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 401, 402, 403,
 &end
#
# 7 ASP HB2 70 PHE HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 7 ASP HB2 70 PHE QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1108,1116,
 &end
#
# 7 ASP HB2 71 TYR H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1120, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 7 ASP HB2 71 TYR HA 5.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1122, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
# 7 ASP HB2 8 GLN H 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 109, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 7 ASP HB3 11 VAL QG2 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 171, 172, 173,
 &end
#
# 7 ASP HB3 25 LEU QD1 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 401, 402, 403,
 &end
#
# 7 ASP HB3 70 PHE HB2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1104, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 7 ASP HB3 70 PHE HB3 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 7 ASP HB3 70 PHE QD 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1108,1116,
 &end
#
# 7 ASP HB3 8 GLN H 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 109, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 8 GLN H 10 LEU H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 142, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 8 GLN H 11 VAL H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 161, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 8 GLN H 11 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 171, 172, 173,
 &end
#
# 8 GLN H 25 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 401, 402, 403,
 &end
#
# 8 GLN H 8 GLN HB2 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 113, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 8 GLN H 8 GLN HB3 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 114, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 8 GLN H 8 GLN HE21 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 122, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 8 GLN H 8 GLN HG3 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 117, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 8 GLN H 9 VAL H 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 8 GLN H 9 VAL HB 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 130, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 8 GLN H 9 VAL QG1 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 132, 133, 134,
 &end
#
# 8 GLN HA 8 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HA 8 GLN HG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 8 GLN HA 8 GLN HG3 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 117, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 8 GLN HB2 9 VAL H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 126, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 8 GLN HB2 9 VAL HA 5.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 128, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,  &end
#
# 8 GLN HB2 9 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 132, 133, 134,
 &end
#
# 8 GLN HB3 9 VAL H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 126, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 8 GLN HE21 11 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HE21 11 VAL QG1 5.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2= 167, 168, 169,
 &end
#
# 8 GLN HE21 12 GLU HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HE21 12 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HE21 12 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HE21 12 GLU HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HE21 12 GLU HG3 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 185, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 8 GLN HE21 9 VAL H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 8 GLN HE22 11 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 167, 168, 169,
 &end
#
# 8 GLN HE22 12 GLU HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 8 GLN HG2 8 GLN HE21 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 122, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 8 GLN HG2 9 VAL HA 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 128, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 8 GLN HG2 9 VAL QG1 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 132, 133, 134,
 &end
#
# 8 GLN HG3 9 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 132, 133, 134,
 &end
#
# 9 VAL H 10 LEU H 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 142, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 9 VAL H 11 VAL H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 161, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 9 VAL H 12 GLU H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 177, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 9 VAL H 9 VAL HB 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 9 VAL H 9 VAL QG1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 132, 133, 134,
 &end
#
# 9 VAL H 9 VAL QG2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 136, 137, 138,
 &end
#
# 9 VAL HA 12 GLU H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 177, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 9 VAL HA 12 GLU HB2 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 181, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 9 VAL HA 12 GLU HB3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 182, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 9 VAL HA 12 GLU HG2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 184, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 9 VAL HA 12 GLU HG3 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 185, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 9 VAL HA 13 ARG H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 192, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 9 VAL HA 9 VAL QG1 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 132, 133, 134,
 &end
#
# 9 VAL HA 9 VAL QG2 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 136, 137, 138,
 &end
#
# 9 VAL HB 10 LEU H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 142, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 9 VAL QG1 10 LEU H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 132, 133, 134,
 &end
#
# 9 VAL QG1 12 GLU HG3 5.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 132, 133, 134,
 &end
#
# 9 VAL QG1 13 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 132, 133, 134,
 &end
#
# 9 VAL QG2 10 LEU H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 136, 137, 138,
 &end
#
# 9 VAL QG2 10 LEU HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 136, 137, 138,
 &end
#
# 9 VAL QG2 10 LEU HG 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 136, 137, 138,
 &end
#
# 9 VAL QG2 12 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 &end
#
# 9 VAL QG2 13 ARG H 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 136, 137, 138,
 &end
#
# 9 VAL QG2 13 ARG HB3 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 136, 137, 138,
 &end
#
# 9 VAL QG2 13 ARG QD 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 136, 137, 138,
 igr2= 202, 203,
 &end
#
# 10 LEU H 10 LEU HB2 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 10 LEU H 10 LEU HG 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 10 LEU H 10 LEU QD1 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 151, 152, 153,
 &end
#
# 10 LEU H 10 LEU QD2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 155, 156, 157,
 &end
#
# 10 LEU H 11 VAL H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 161, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 10 LEU H 11 VAL QG2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 171, 172, 173,
 &end
#
# 10 LEU H 25 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 401, 402, 403,
 &end
#
# 10 LEU HA 10 LEU QD1 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 151, 152, 153,
 &end
#
# 10 LEU HA 10 LEU QD2 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 155, 156, 157,
 &end
#
# 10 LEU HA 13 ARG QD 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 202, 203,
 &end
#
# 10 LEU HA 21 ALA QB 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 333, 334, 335,
 &end
#
# 10 LEU HB2 10 LEU QD2 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 155, 156, 157,
 &end
#
# 10 LEU HB2 11 VAL H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 161, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 10 LEU HB2 25 LEU HB2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 396, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 10 LEU HB2 25 LEU QD1 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 401, 402, 403,
 &end
#
# 10 LEU HB2 25 LEU QD2 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 405, 406, 407,
 &end
#
# 10 LEU HB3 10 LEU QD1 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 151, 152, 153,
 &end
#
# 10 LEU HB3 10 LEU QD2 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 155, 156, 157,
 &end
#
# 10 LEU HB3 11 VAL H 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 161, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 LEU HB3 21 ALA QB 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 333, 334, 335,
 &end
#
# 10 LEU HB3 25 LEU QD2 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 405, 406, 407,
 &end
#
# 10 LEU HG 11 VAL H 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 161, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 10 LEU HG 11 VAL QG2 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 171, 172, 173,
 &end
#
# 10 LEU HG 25 LEU QD1 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 401, 402, 403,
 &end
#
# 10 LEU QD1 21 ALA QB 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 151, 152, 153,
 igr2= 333, 334, 335,
 &end
#
# 10 LEU QD1 25 LEU QD1 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
 igr1= 151, 152, 153,
 igr2= 401, 402, 403,
 &end
#
# 10 LEU QD2 11 VAL H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 155, 156, 157,
 &end
#
# 10 LEU QD2 21 ALA HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 155, 156, 157,
 &end
#
# 10 LEU QD2 21 ALA QB 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 155, 156, 157,
 igr2= 333, 334, 335,
 &end
#
# 10 LEU QD2 24 LEU HB3 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 155, 156, 157,
 &end
#
# 10 LEU QD2 25 LEU H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 155, 156, 157,
 &end
#
# 10 LEU QD2 25 LEU HB2 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 155, 156, 157,
 &end
#
# 10 LEU QD2 25 LEU HG 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 155, 156, 157,
 &end
#
# 10 LEU QD2 25 LEU QD1 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 155, 156, 157,
 igr2= 401, 402, 403,
 &end
#
# 10 LEU QD2 25 LEU QD2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 155, 156, 157,
 igr2= 405, 406, 407,
 &end
#
# 11 VAL H 11 VAL HB 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 165, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 11 VAL H 11 VAL QG1 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 167, 168, 169,
 &end
#
# 11 VAL H 11 VAL QG2 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 171, 172, 173,
 &end
#
# 11 VAL H 12 GLU H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 177, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 11 VAL H 12 GLU HB3 5.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 182, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,  &end
#
# 11 VAL H 13 ARG H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 192, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 11 VAL H 25 LEU QD1 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 401, 402, 403,
 &end
#
# 11 VAL H 25 LEU QD2 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 405, 406, 407,
 &end
#
# 11 VAL HA 11 VAL QG2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 171, 172, 173,
 &end
#
# 11 VAL HA 12 GLU HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 179, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 11 VAL HA 25 LEU QD1 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 401, 402, 403,
 &end
#
# 11 VAL HB 12 GLU H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 11 VAL HB 15 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 VAL HB 64 PHE QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1024,1032,
 &end
#
# 11 VAL HB 64 PHE QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1026,1030,
 &end
#
# 11 VAL QG1 12 GLU H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 12 GLU HA 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 12 GLU HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 12 GLU HG3 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 14 VAL HB 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 14 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 167, 168, 169,
 igr2= 222, 223, 224,
 &end
#
# 11 VAL QG1 15 GLN HE21 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 15 GLN HE22 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 15 GLN HG2 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 15 GLN HG3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 61 LEU HB2 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 61 LEU HG 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 61 LEU QD2 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 167, 168, 169,
 igr2= 987, 988, 989,
 &end
#
# 11 VAL QG1 62 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 64 PHE H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 64 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 64 PHE HB3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 64 PHE HZ 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 167, 168, 169,
 &end
#
# 11 VAL QG1 64 PHE QD 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 167, 168, 169,
 igr2=1024,1032,
 &end
#
# 11 VAL QG1 64 PHE QE 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 167, 168, 169,
 igr2=1026,1030,
 &end
#
# 11 VAL QG1 70 PHE QE 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 167, 168, 169,
 igr2=1110,1114,
 &end
#
# 11 VAL QG2 12 GLU H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 12 GLU HG3 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 185, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 13 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 14 VAL H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 14 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 171, 172, 173,
 igr2= 222, 223, 224,
 &end
#
# 11 VAL QG2 14 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 171, 172, 173,
 igr2= 226, 227, 228,
 &end
#
# 11 VAL QG2 25 LEU HB2 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 25 LEU QD1 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 171, 172, 173,
 igr2= 401, 402, 403,
 &end
#
# 11 VAL QG2 61 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 61 LEU QD1 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 171, 172, 173,
 igr2= 983, 984, 985,
 &end
#
# 11 VAL QG2 61 LEU QD2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 171, 172, 173,
 igr2= 987, 988, 989,
 &end
#
# 11 VAL QG2 64 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 64 PHE QD 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 171, 172, 173,
 igr2=1024,1032,
 &end
#
# 11 VAL QG2 64 PHE QE 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 171, 172, 173,
 igr2=1026,1030,
 &end
#
# 11 VAL QG2 70 PHE HA 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 70 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 70 PHE HB3 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1105, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 171, 172, 173,
 &end
#
# 11 VAL QG2 70 PHE QD 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 171, 172, 173,
 igr2=1108,1116,
 &end
#
# 11 VAL QG2 70 PHE QE 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 171, 172, 173,
 igr2=1110,1114,
 &end
#
# 12 GLU H 12 GLU HB2 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 GLU H 12 GLU HB3 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 GLU H 12 GLU HG2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 184, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 12 GLU H 12 GLU HG3 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 185, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 12 GLU H 14 VAL H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 216, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 12 GLU HA 12 GLU HG2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 184, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 12 GLU HA 12 GLU HG3 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 12 GLU HA 15 GLN H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 232, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 12 GLU HA 15 GLN HB2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 236, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 12 GLU HB2 15 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 GLU HB2 16 LYS QE 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 262, 263,
 &end
#
# 12 GLU HB3 13 ARG H 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 12 GLU HB3 16 LYS QE 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 262, 263,
 &end
#
# 12 GLU HG2 13 ARG H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 192, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 12 GLU HG2 16 LYS QE 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 262, 263,
 &end
#
# 12 GLU HG3 13 ARG H 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 13 ARG H 13 ARG HB2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 196, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 13 ARG H 13 ARG HB3 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 197, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 13 ARG H 13 ARG QD 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 202, 203,
 &end
#
# 13 ARG H 14 VAL H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 216, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 13 ARG H 14 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 222, 223, 224,
 &end
#
# 13 ARG H 21 ALA QB 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 333, 334, 335,
 &end
#
# 13 ARG HA 13 ARG QD 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 202, 203,
 &end
#
# 13 ARG HA 13 ARG QG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 199, 200,
 &end
#
# 13 ARG HA 14 VAL HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13 ARG HA 16 LYS H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 249, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 13 ARG HA 16 LYS HB3 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 254, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 13 ARG HA 16 LYS HD3 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 260, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 13 ARG HA 18 ASP H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 278, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 13 ARG HA 18 ASP HB2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 282, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 13 ARG HA 21 ALA QB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 333, 334, 335,
 &end
#
# 13 ARG HB2 13 ARG QD 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 202, 203,
 &end
#
# 13 ARG HB2 14 VAL H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 216, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 13 ARG HB2 18 ASP HB2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 282, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 13 ARG HB2 18 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 13 ARG HB2 21 ALA QB 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 333, 334, 335,
 &end
#
# 13 ARG HB3 13 ARG QD 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 202, 203,
 &end
#
# 13 ARG HB3 21 ALA QB 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 333, 334, 335,
 &end
#
# 13 ARG QD 14 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 202, 203,
 igr2= 222, 223, 224,
 &end
#
# 13 ARG QD 18 ASP HB2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 202, 203,
 &end
#
# 13 ARG QD 18 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 202, 203,
 &end
#
# 13 ARG QD 21 ALA QB 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 202, 203,
 igr2= 333, 334, 335,
 &end
#
# 13 ARG QG 14 VAL H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 216, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 199, 200,
 &end
#
# 13 ARG QG 14 VAL QG1 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 199, 200,
 igr2= 222, 223, 224,
 &end
#
# 13 ARG QG 18 ASP H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 199, 200,
 &end
#
# 13 ARG QG 18 ASP HB2 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 199, 200,
 &end
#
# 13 ARG QG 18 ASP HB3 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 199, 200,
 &end
#
# 13 ARG QG 20 LYS QE 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 199, 200,
 igr2= 320, 321,
 &end
#
# 13 ARG QG 21 ALA QB 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 199, 200,
 igr2= 333, 334, 335,
 &end
#
# 14 VAL H 14 VAL HB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 220, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 14 VAL H 14 VAL QG1 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 222, 223, 224,
 &end
#
# 14 VAL H 14 VAL QG2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 226, 227, 228,
 &end
#
# 14 VAL H 15 GLN H 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 232, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 14 VAL H 15 GLN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 234, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 VAL H 15 GLN HG2 5.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 239, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,  &end
#
# 14 VAL H 16 LYS H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 249, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 14 VAL H 18 ASP HB2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 282, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 14 VAL H 18 ASP HB3 5.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 283, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
# 14 VAL H 21 ALA QB 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 333, 334, 335,
 &end
#
# 14 VAL H 25 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 405, 406, 407,
 &end
#
# 14 VAL H 61 LEU QD2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 216,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 987, 988, 989,
 &end
#
# 14 VAL HA 14 VAL QG1 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 222, 223, 224,
 &end
#
# 14 VAL HA 14 VAL QG2 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 226, 227, 228,
 &end
#
# 14 VAL HA 15 GLN HA 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 234, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 14 VAL HA 16 LYS H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 249, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 14 VAL HA 17 GLY H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 271, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 14 VAL HA 18 ASP H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 278, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 14 VAL HA 18 ASP HB2 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 282, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 14 VAL HA 18 ASP HB3 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 283, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 14 VAL HA 21 ALA QB 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 333, 334, 335,
 &end
#
# 14 VAL HA 22 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 344, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 VAL HB 15 GLN H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 232, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 14 VAL HB 21 ALA QB 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 333, 334, 335,
 &end
#
# 14 VAL HB 22 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 347, 355,
 &end
#
# 14 VAL HB 25 LEU QD2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 405, 406, 407,
 &end
#
# 14 VAL HB 61 LEU QD2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 987, 988, 989,
 &end
#
# 14 VAL QG1 15 GLN H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 18 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 18 ASP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 18 ASP HB3 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 19 GLN HA 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 20 LYS QE 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 222, 223, 224,
 igr2= 320, 321,
 &end
#
# 14 VAL QG1 21 ALA H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 21 ALA QB 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 222, 223, 224,
 igr2= 333, 334, 335,
 &end
#
# 14 VAL QG1 22 PHE H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 22 PHE HA 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 22 PHE HB2 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 22 PHE HB3 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 22 PHE QD 3.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 222, 223, 224,
 igr2= 347, 355,
 &end
#
# 14 VAL QG1 22 PHE QE 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 222, 223, 224,
 igr2= 349, 353,
 &end
#
# 14 VAL QG1 23 ASN H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 25 LEU HB2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 25 LEU QD2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 222, 223, 224,
 igr2= 405, 406, 407,
 &end
#
# 14 VAL QG1 58 TYR QD 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 222, 223, 224,
 igr2= 927, 936,
 &end
#
# 14 VAL QG1 58 TYR QE 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 222, 223, 224,
 igr2= 929, 934,
 &end
#
# 14 VAL QG1 61 LEU HG 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 222, 223, 224,
 &end
#
# 14 VAL QG1 61 LEU QD1 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1= 222, 223, 224,
 igr2= 983, 984, 985,
 &end
#
# 14 VAL QG1 61 LEU QD2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 222, 223, 224,
 igr2= 987, 988, 989,
 &end
#
# 14 VAL QG2 15 GLN H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 15 GLN HA 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 15 GLN HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 15 GLN HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 17 GLY H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 18 ASP H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 19 GLN HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 21 ALA QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 226, 227, 228,
 igr2= 333, 334, 335,
 &end
#
# 14 VAL QG2 22 PHE HB2 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 22 PHE HB3 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 22 PHE QD 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 226, 227, 228,
 igr2= 347, 355,
 &end
#
# 14 VAL QG2 22 PHE QE 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 226, 227, 228,
 igr2= 349, 353,
 &end
#
# 14 VAL QG2 25 LEU QD2 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1= 226, 227, 228,
 igr2= 405, 406, 407,
 &end
#
# 14 VAL QG2 58 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 58 TYR QD 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 226, 227, 228,
 igr2= 927, 936,
 &end
#
# 14 VAL QG2 58 TYR QE 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 226, 227, 228,
 igr2= 929, 934,
 &end
#
# 14 VAL QG2 61 LEU HB2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 226, 227, 228,
 &end
#
# 14 VAL QG2 61 LEU QD2 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 226, 227, 228,
 igr2= 987, 988, 989,
 &end
#
# 15 GLN H 15 GLN HB2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 15 GLN H 15 GLN HB3 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 15 GLN H 15 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN H 15 GLN HG2 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 15 GLN H 15 GLN HG3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 240, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 15 GLN H 16 LYS H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 249, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 15 GLN H 17 GLY H 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 271, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 15 GLN H 18 ASP H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 278, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 15 GLN H 21 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 333, 334, 335,
 &end
#
# 15 GLN HA 15 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN HA 15 GLN HG2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 239, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 15 GLN HA 15 GLN HG3 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 240, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 15 GLN HA 17 GLY H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 271, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 15 GLN HA 62 ASP HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 995, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 15 GLN HB2 15 GLN HE21 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15 GLN HB2 16 LYS H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 249, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 15 GLN HB2 16 LYS HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 251, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 15 GLN HB2 16 LYS QE 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 262, 263,
 &end
#
# 15 GLN HE21 61 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN HE21 62 ASP HA 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 995, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 15 GLN HE21 63 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN HE21 64 PHE H 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1016, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 15 GLN HE21 64 PHE HB3 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,1021, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 15 GLN HE21 64 PHE QD 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1024,1032,
 &end
#
# 15 GLN HE22 62 ASP HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 995, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 15 GLN HE22 64 PHE H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1016, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 15 GLN HE22 64 PHE HB2 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1020, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 15 GLN HE22 64 PHE HB3 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1021, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 15 GLN HE22 64 PHE QD 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1024,1032,
 &end
#
# 15 GLN HE22 65 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 244,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN HG2 16 LYS H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 249, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 15 GLN HG2 61 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 979, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN HG2 61 LEU QD2 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 987, 988, 989,
 &end
#
# 15 GLN HG2 62 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLN HG3 15 GLN HE21 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 15 GLN HG3 61 LEU HB3 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 979, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 15 GLN HG3 61 LEU QD2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 987, 988, 989,
 &end
#
# 15 GLN HG3 62 ASP HA 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 995, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 15 GLN HG3 62 ASP QB 5.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 997, 998,
 &end
#
# 16 LYS H 16 LYS HB2 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 16 LYS H 16 LYS HB3 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 254, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 16 LYS H 16 LYS HD2 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 259, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 16 LYS H 16 LYS HD3 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 260, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 16 LYS H 16 LYS HG2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 256, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 16 LYS H 16 LYS HG3 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 257, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 16 LYS H 17 GLY H 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 271, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 16 LYS H 18 ASP H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 278, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 16 LYS HA 16 LYS HD2 4.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 16 LYS HA 16 LYS HD3 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 260, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 16 LYS HA 16 LYS HG2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16 LYS HA 16 LYS HG3 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 257, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 16 LYS HA 17 GLY HA3 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 274, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 16 LYS HA 18 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 LYS HB2 16 LYS HD3 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 16 LYS HB2 16 LYS QE 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 262, 263,
 &end
#
# 16 LYS HB2 17 GLY H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 271, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 16 LYS HB3 17 GLY H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 16 LYS HG2 17 GLY H 5.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 271, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 16 LYS HG3 16 LYS HD2 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 16 LYS HG3 16 LYS QE 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 262, 263,
 &end
#
# 16 LYS HG3 17 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 GLY H 18 ASP H 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 278, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 17 GLY H 18 ASP HB2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 17 GLY H 18 ASP HB3 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 283, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 18 ASP H 18 ASP HB2 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 18 ASP H 18 ASP HB3 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 18 ASP H 19 GLN H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 290, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 18 ASP H 21 ALA H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 329, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 18 ASP H 21 ALA QB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 333, 334, 335,
 &end
#
# 18 ASP HA 19 GLN H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 18 ASP HA 20 LYS H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 307, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 18 ASP HA 21 ALA H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 329, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 18 ASP HB2 19 GLN H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 18 ASP HB2 20 LYS HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ASP HB2 20 LYS QD 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 317, 318,
 &end
#
# 18 ASP HB2 20 LYS QE 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 320, 321,
 &end
#
# 18 ASP HB2 21 ALA H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 329, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 18 ASP HB2 21 ALA QB 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 333, 334, 335,
 &end
#
# 18 ASP HB3 20 LYS HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ASP HB3 20 LYS HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ASP HB3 21 ALA H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 329, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 18 ASP HB3 21 ALA QB 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 333, 334, 335,
 &end
#
# 19 GLN H 19 GLN HB2 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 19 GLN H 19 GLN HB3 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 19 GLN H 19 GLN HG2 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 297, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 19 GLN H 19 GLN HG3 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 298, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 19 GLN H 21 ALA H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 329, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 19 GLN HA 19 GLN HG2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 297, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 19 GLN HA 19 GLN HG3 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 298, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 19 GLN HA 21 ALA QB 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 333, 334, 335,
 &end
#
# 19 GLN HA 22 PHE H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 339, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 19 GLN HA 22 PHE HB2 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 19 GLN HA 22 PHE HB3 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 344, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 19 GLN HA 58 TYR QE 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 929, 934,
 &end
#
# 19 GLN HB2 19 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 19 GLN HB2 20 LYS H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19 GLN HB3 20 LYS H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 19 GLN HB3 58 TYR QE 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 929, 934,
 &end
#
# 19 GLN HE22 23 ASN H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 19 GLN HG2 58 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 927, 936,
 &end
#
# 19 GLN HG2 58 TYR QE 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 929, 934,
 &end
#
# 19 GLN QG 20 LYS H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 297, 298,
 &end
#
# 20 LYS H 20 LYS HB2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20 LYS H 20 LYS HB3 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 20 LYS H 20 LYS HG2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 20 LYS H 20 LYS HG3 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 315, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 20 LYS H 20 LYS QD 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 317, 318,
 &end
#
# 20 LYS H 21 ALA H 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 329, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 20 LYS H 22 PHE H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 339, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 20 LYS HA 20 LYS HG3 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 315, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 20 LYS HA 20 LYS QD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 317, 318,
 &end
#
# 20 LYS HA 23 ASN HD21 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 369, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 20 LYS HA 23 ASN HD22 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 368, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 20 LYS HB2 20 LYS QD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 317, 318,
 &end
#
# 20 LYS HB2 20 LYS QE 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 320, 321,
 &end
#
# 20 LYS HB2 21 ALA H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 329, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 20 LYS HB3 20 LYS QD 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 317, 318,
 &end
#
# 20 LYS HB3 20 LYS QE 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 320, 321,
 &end
#
# 20 LYS HB3 21 ALA H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 329, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 20 LYS HB3 21 ALA HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 331, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 20 LYS HG2 20 LYS QD 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 317, 318,
 &end
#
# 20 LYS HG2 20 LYS QE 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 320, 321,
 &end
#
# 20 LYS HG2 21 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 329, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 LYS HG3 20 LYS QE 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 320, 321,
 &end
#
# 20 LYS HG3 21 ALA H 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 329, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 20 LYS QD 24 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 317, 318,
 igr2= 382, 383, 384,
 &end
#
# 21 ALA H 21 ALA QB 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 333, 334, 335,
 &end
#
# 21 ALA H 22 PHE H 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 21 ALA H 22 PHE HB2 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 343, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 21 ALA H 24 LEU QD1 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 382, 383, 384,
 &end
#
# 21 ALA HA 24 LEU H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 373, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 21 ALA HA 24 LEU HG 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 380, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 21 ALA HA 24 LEU QD1 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 382, 383, 384,
 &end
#
# 21 ALA QB 22 PHE H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 333, 334, 335,
 &end
#
# 21 ALA QB 22 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 333, 334, 335,
 &end
#
# 21 ALA QB 23 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 333, 334, 335,
 &end
#
# 21 ALA QB 25 LEU HB3 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 333, 334, 335,
 &end
#
# 21 ALA QB 25 LEU QD2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 333, 334, 335,
 igr2= 405, 406, 407,
 &end
#
# 22 PHE H 22 PHE HB2 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 343, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 22 PHE H 22 PHE HB3 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 22 PHE H 58 TYR QE 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 929, 934,
 &end
#
# 22 PHE HA 22 PHE QD 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 347, 355,
 &end
#
# 22 PHE HA 22 PHE QE 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 349, 353,
 &end
#
# 22 PHE HA 25 LEU HB2 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 396, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 22 PHE HA 25 LEU HB3 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 397, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 22 PHE HA 25 LEU QD2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 405, 406, 407,
 &end
#
# 22 PHE HA 26 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 417, 418, 419,
 &end
#
# 22 PHE HA 58 TYR QE 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 929, 934,
 &end
#
# 22 PHE HB2 23 ASN H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 359, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 22 PHE HB2 25 LEU QD2 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 405, 406, 407,
 &end
#
# 22 PHE HB2 58 TYR QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 927, 936,
 &end
#
# 22 PHE HB2 58 TYR QE 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 929, 934,
 &end
#
# 22 PHE HB3 23 ASN H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 359, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 22 PHE HB3 58 TYR QD 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 927, 936,
 &end
#
# 22 PHE HB3 58 TYR QE 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 929, 934,
 &end
#
# 22 PHE HB3 61 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
# 22 PHE HZ 26 VAL QG1 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 417, 418, 419,
 &end
#
# 22 PHE HZ 54 PHE HA 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 850, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 22 PHE HZ 54 PHE HB2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 852, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 22 PHE HZ 54 PHE HB3 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 853, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 22 PHE HZ 54 PHE QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 856, 864,
 &end
#
# 22 PHE HZ 54 PHE QE 5.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 858, 862,
 &end
#
# 22 PHE HZ 55 ILE HA 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 870, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 22 PHE HZ 57 ALA QB 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 913, 914, 915,
 &end
#
# 22 PHE HZ 58 TYR H 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 919, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 22 PHE HZ 58 TYR HA 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 921, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 22 PHE HZ 58 TYR HB3 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 924, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 22 PHE HZ 58 TYR QD 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 927, 936,
 &end
#
# 22 PHE HZ 61 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 PHE HZ 61 LEU QQD 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
# 22 PHE QD 22 PHE HZ 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 347, 355,
 &end
#
# 22 PHE QD 23 ASN H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 347, 355,
 &end
#
# 22 PHE QD 23 ASN HA 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 347, 355,
 &end
#
# 22 PHE QD 25 LEU QD1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 347, 355,
 igr2= 401, 402, 403,
 &end
#
# 22 PHE QD 25 LEU QD2 3.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 347, 355,
 igr2= 405, 406, 407,
 &end
#
# 22 PHE QD 26 VAL QG1 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 347, 355,
 igr2= 417, 418, 419,
 &end
#
# 22 PHE QD 58 TYR HA 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 347, 355,
 &end
#
# 22 PHE QD 58 TYR QD 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 347, 355,
 igr2= 927, 936,
 &end
#
# 22 PHE QD 58 TYR QE 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 347, 355,
 igr2= 929, 934,
 &end
#
# 22 PHE QD 61 LEU QD2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 347, 355,
 igr2= 987, 988, 989,
 &end
#
# 22 PHE QD 61 LEU QQD 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 347, 355,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
# 22 PHE QD 70 PHE HZ 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 347, 355,
 &end
#
# 22 PHE QE 25 LEU HB2 5.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 25 LEU QD2 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 349, 353,
 igr2= 405, 406, 407,
 &end
#
# 22 PHE QE 26 VAL QG1 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 349, 353,
 igr2= 417, 418, 419,
 &end
#
# 22 PHE QE 54 PHE HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 54 PHE HB2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 55 ILE HA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 57 ALA QB 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 349, 353,
 igr2= 913, 914, 915,
 &end
#
# 22 PHE QE 58 TYR H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 58 TYR HA 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 58 TYR HB2 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 58 TYR HB3 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 924, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 58 TYR QD 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 349, 353,
 igr2= 927, 936,
 &end
#
# 22 PHE QE 58 TYR QE 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 349, 353,
 igr2= 929, 934,
 &end
#
# 22 PHE QE 61 LEU QQD 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 349, 353,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
# 22 PHE QE 70 PHE HZ 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 349, 353,
 &end
#
# 22 PHE QE 70 PHE QE 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 349, 353,
 igr2=1110,1114,
 &end
#
# 23 ASN H 23 ASN HB2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 23 ASN H 23 ASN HB3 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 23 ASN H 24 LEU H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 373, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 23 ASN H 24 LEU QD1 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 382, 383, 384,
 &end
#
# 23 ASN H 26 VAL QG1 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 417, 418, 419,
 &end
#
# 23 ASN HA 24 LEU HG 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 380, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 23 ASN HA 26 VAL H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 411, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 23 ASN HA 26 VAL QG1 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 417, 418, 419,
 &end
#
# 23 ASN HA 27 VAL QG1 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 433, 434, 435,
 &end
#
# 23 ASN HB2 23 ASN HD21 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 369, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 23 ASN HB2 24 LEU H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 373, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 23 ASN HB2 24 LEU HA 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 23 ASN HB2 24 LEU HG 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 23 ASN HB2 24 LEU QD2 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 386, 387, 388,
 &end
#
# 23 ASN HB2 26 VAL QG1 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 417, 418, 419,
 &end
#
# 23 ASN HB3 24 LEU H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 373, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 23 ASN HB3 24 LEU HG 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 23 ASN HB3 24 LEU QD2 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 386, 387, 388,
 &end
#
# 23 ASN HB3 26 VAL QG1 5.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 417, 418, 419,
 &end
#
# 23 ASN HB3 27 VAL QG1 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 433, 434, 435,
 &end
#
# 23 ASN HD21 24 LEU H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 23 ASN HD21 24 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 386, 387, 388,
 &end
#
# 23 ASN HD21 27 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 433, 434, 435,
 &end
#
# 23 ASN HD22 24 LEU H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 23 ASN HD22 27 VAL QG1 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 433, 434, 435,
 &end
#
# 24 LEU H 24 LEU HB2 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 24 LEU H 24 LEU HB3 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 24 LEU H 24 LEU HG 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 380, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 24 LEU H 24 LEU QD1 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 382, 383, 384,
 &end
#
# 24 LEU H 25 LEU H 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 392, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 24 LEU H 25 LEU HB3 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 397, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 24 LEU H 26 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 417, 418, 419,
 &end
#
# 24 LEU H 27 VAL H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 427, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 24 LEU H 27 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 433, 434, 435,
 &end
#
# 24 LEU HA 24 LEU HG 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 380, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 24 LEU HA 27 VAL H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 427, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 24 LEU HA 27 VAL QG1 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 433, 434, 435,
 &end
#
# 24 LEU HB2 24 LEU QD1 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 382, 383, 384,
 &end
#
# 24 LEU HB2 25 LEU H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 392, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 24 LEU HB3 24 LEU QD1 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 382, 383, 384,
 &end
#
# 24 LEU HB3 24 LEU QD2 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 386, 387, 388,
 &end
#
# 24 LEU HB3 25 LEU H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 392, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 24 LEU HB3 27 VAL H 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 427, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 24 LEU HB3 27 VAL QG1 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 433, 434, 435,
 &end
#
# 24 LEU QD1 25 LEU H 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 382, 383, 384,
 &end
#
# 25 LEU H 25 LEU HB2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 25 LEU H 25 LEU HB3 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 397, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 25 LEU H 25 LEU QD1 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 401, 402, 403,
 &end
#
# 25 LEU H 25 LEU QD2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 405, 406, 407,
 &end
#
# 25 LEU H 26 VAL H 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 411, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 25 LEU H 26 VAL QG1 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 417, 418, 419,
 &end
#
# 25 LEU H 27 VAL H 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 427, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 25 LEU H 28 ARG H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 443, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 25 LEU HA 25 LEU QD1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 401, 402, 403,
 &end
#
# 25 LEU HA 25 LEU QD2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 405, 406, 407,
 &end
#
# 25 LEU HA 26 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 417, 418, 419,
 &end
#
# 25 LEU HA 28 ARG HD2 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 453, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 25 LEU HA 28 ARG HD3 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 454, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 25 LEU HA 29 TYR H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 467, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 25 LEU HA 29 TYR QD 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 475, 484,
 &end
#
# 25 LEU HA 29 TYR QE 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 477, 482,
 &end
#
# 25 LEU HB2 25 LEU QD1 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 401, 402, 403,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 405, 406, 407,
 &end
#
# 25 LEU HB2 26 VAL H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 25 LEU HB2 26 VAL QG1 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2= 417, 418, 419,
 &end
#
# 25 LEU HB3 25 LEU QD1 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 401, 402, 403,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 405, 406, 407,
 &end
#
# 25 LEU HB3 26 VAL H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 411, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 25 LEU HB3 26 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 417, 418, 419,
 &end
#
# 25 LEU HB3 70 PHE QE 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1110,1114,
 &end
#
# 25 LEU HG 26 VAL H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 411, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 25 LEU HG 29 TYR QE 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 477, 482,
 &end
#
# 25 LEU QD1 26 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
# 25 LEU QD1 26 VAL QG1 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
 igr1= 401, 402, 403,
 igr2= 417, 418, 419,
 &end
#
# 25 LEU QD1 28 ARG HD2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 401, 402, 403,
 &end
#
# 25 LEU QD1 28 ARG HD3 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 401, 402, 403,
 &end
#
# 25 LEU QD1 29 TYR QD 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 401, 402, 403,
 igr2= 475, 484,
 &end
#
# 25 LEU QD1 29 TYR QE 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 401, 402, 403,
 igr2= 477, 482,
 &end
#
# 25 LEU QD1 70 PHE HZ 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 401, 402, 403,
 &end
#
# 25 LEU QD1 70 PHE QD 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 401, 402, 403,
 igr2=1108,1116,
 &end
#
# 25 LEU QD1 70 PHE QE 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 401, 402, 403,
 igr2=1110,1114,
 &end
#
# 25 LEU QD2 26 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 405, 406, 407,
 igr2= 417, 418, 419,
 &end
#
# 25 LEU QD2 28 ARG HD3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 405, 406, 407,
 &end
#
# 25 LEU QD2 28 ARG HG3 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 405, 406, 407,
 &end
#
# 25 LEU QD2 61 LEU QD2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 405, 406, 407,
 igr2= 987, 988, 989,
 &end
#
# 25 LEU QD2 70 PHE HZ 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 405, 406, 407,
 &end
#
# 25 LEU QD2 70 PHE QE 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 405, 406, 407,
 igr2=1110,1114,
 &end
#
# 26 VAL H 26 VAL HB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 415, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 26 VAL H 26 VAL QG1 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 417, 418, 419,
 &end
#
# 26 VAL H 26 VAL QG2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 421, 422, 423,
 &end
#
# 26 VAL H 27 VAL H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 427, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 26 VAL H 27 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 VAL HA 26 VAL QG1 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 417, 418, 419,
 &end
#
# 26 VAL HA 26 VAL QG2 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 421, 422, 423,
 &end
#
# 26 VAL HA 27 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 VAL HA 27 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 433, 434, 435,
 &end
#
# 26 VAL HA 29 TYR HB2 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 471, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 26 VAL HA 29 TYR QD 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 475, 484,
 &end
#
# 26 VAL HA 30 GLN H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 488, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 26 VAL HA 30 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 VAL HA 54 PHE HZ 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 860, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 26 VAL HA 54 PHE QE 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 858, 862,
 &end
#
# 26 VAL HB 27 VAL H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 26 VAL QG1 27 VAL H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 417, 418, 419,
 &end
#
# 26 VAL QG1 54 PHE HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 417, 418, 419,
 &end
#
# 26 VAL QG1 54 PHE HB2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 417, 418, 419,
 &end
#
# 26 VAL QG1 54 PHE HB3 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 417, 418, 419,
 &end
#
# 26 VAL QG1 54 PHE HZ 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 417, 418, 419,
 &end
#
# 26 VAL QG1 54 PHE QD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 417, 418, 419,
 igr2= 856, 864,
 &end
#
# 26 VAL QG1 54 PHE QE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 417, 418, 419,
 igr2= 858, 862,
 &end
#
# 26 VAL QG1 57 ALA QB 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 417, 418, 419,
 igr2= 913, 914, 915,
 &end
#
# 26 VAL QG2 27 VAL H 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 27 VAL HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 27 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 421, 422, 423,
 igr2= 433, 434, 435,
 &end
#
# 26 VAL QG2 28 ARG H 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 29 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN H 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HA 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HB2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HB3 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HE21 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HG2 5.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 30 GLN HG3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 54 PHE HZ 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 421, 422, 423,
 &end
#
# 26 VAL QG2 54 PHE QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 421, 422, 423,
 igr2= 858, 862,
 &end
#
# 26 VAL QG2 57 ALA QB 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
 igr1= 421, 422, 423,
 igr2= 913, 914, 915,
 &end
#
# 27 VAL H 27 VAL HB 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 27 VAL H 27 VAL QG1 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 433, 434, 435,
 &end
#
# 27 VAL H 27 VAL QG2 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 437, 438, 439,
 &end
#
# 27 VAL HA 27 VAL QG1 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 433, 434, 435,
 &end
#
# 27 VAL HA 27 VAL QG2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 437, 438, 439,
 &end
#
# 27 VAL HA 28 ARG HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 445, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 27 VAL HA 30 GLN H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 27 VAL HA 30 GLN HB2 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 492, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 27 VAL HA 30 GLN HB3 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 27 VAL HA 30 GLN HE21 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 501, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 27 VAL HA 30 GLN HE22 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 500, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 27 VAL HA 30 GLN HG3 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 496, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 27 VAL HB 28 ARG H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 27 VAL QG1 28 ARG H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 433, 434, 435,
 &end
#
# 27 VAL QG1 28 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 433, 434, 435,
 &end
#
# 27 VAL QG1 30 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 433, 434, 435,
 &end
#
# 27 VAL QG1 30 GLN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 433, 434, 435,
 &end
#
# 27 VAL QG1 30 GLN HE22 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 433, 434, 435,
 &end
#
# 27 VAL QG2 28 ARG H 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 437, 438, 439,
 &end
#
# 27 VAL QG2 30 GLN HE22 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 437, 438, 439,
 &end
#
# 28 ARG H 28 ARG HB2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 28 ARG H 28 ARG HB3 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 ARG H 28 ARG HD2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 453, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 28 ARG H 28 ARG HD3 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 454, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 28 ARG H 28 ARG HG2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 450, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 28 ARG H 28 ARG HG3 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 451, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 28 ARG H 29 TYR H 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 467, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 28 ARG H 29 TYR QD 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 475, 484,
 &end
#
# 28 ARG H 30 GLN H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 488, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 28 ARG HA 28 ARG HD2 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 453, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 28 ARG HA 29 TYR QD 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 475, 484,
 &end
#
# 28 ARG HA 30 GLN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ARG HA 32 LYS H 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 522, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 28 ARG HB2 29 TYR H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 467, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 28 ARG HB2 29 TYR QD 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 475, 484,
 &end
#
# 28 ARG HB3 29 TYR H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 28 ARG HB3 29 TYR HA 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 28 ARG HB3 29 TYR QD 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 475, 484,
 &end
#
# 28 ARG HD2 29 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 475, 484,
 &end
#
# 28 ARG HD2 29 TYR QE 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 477, 482,
 &end
#
# 28 ARG HD3 29 TYR QD 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 475, 484,
 &end
#
# 28 ARG HD3 29 TYR QE 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 477, 482,
 &end
#
# 28 ARG HG2 29 TYR H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 28 ARG HG2 29 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 475, 484,
 &end
#
# 28 ARG HG2 29 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 482,
 &end
#
# 28 ARG HG3 29 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 ARG HG3 29 TYR QD 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 475, 484,
 &end
#
# 28 ARG HG3 29 TYR QE 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 477, 482,
 &end
#
# 29 TYR H 29 TYR HB2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 29 TYR H 29 TYR HB3 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 29 TYR H 29 TYR QD 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 475, 484,
 &end
#
# 29 TYR H 29 TYR QE 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 477, 482,
 &end
#
# 29 TYR H 30 GLN H 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 488, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 29 TYR H 30 GLN HA 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 490, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 29 TYR H 30 GLN HB2 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 492, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 29 TYR H 30 GLN HB3 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 493, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 29 TYR H 54 PHE HZ 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 29 TYR H 54 PHE QE 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 858, 862,
 &end
#
# 29 TYR H 74 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 29 TYR HA 29 TYR QD 3.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 475, 484,
 &end
#
# 29 TYR HA 29 TYR QE 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 477, 482,
 &end
#
# 29 TYR HA 32 LYS H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 522, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 29 TYR HA 32 LYS HB2 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 526, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 29 TYR HA 32 LYS HB3 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 527, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 29 TYR HA 32 LYS QD 5.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 532, 533,
 &end
#
# 29 TYR HA 32 LYS QE 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 535, 536,
 &end
#
# 29 TYR HA 32 LYS QG 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 529, 530,
 &end
#
# 29 TYR HA 33 VAL H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 544, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 29 TYR HA 33 VAL QG1 5.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 550, 551, 552,
 &end
#
# 29 TYR HA 54 PHE HZ 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 860, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 29 TYR HA 74 LEU QD2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1192,1193,1194,
 &end
#
# 29 TYR HB2 30 GLN H 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 488, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 29 TYR HB2 33 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 550, 551, 552,
 &end
#
# 29 TYR HB2 54 PHE HZ 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 860, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 29 TYR HB2 54 PHE QE 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 858, 862,
 &end
#
# 29 TYR HB2 74 LEU QD2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1192,1193,1194,
 &end
#
# 29 TYR HB3 30 GLN H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 488, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 29 TYR HB3 33 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 TYR HB3 33 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 550, 551, 552,
 &end
#
# 29 TYR HB3 54 PHE HZ 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 860, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 29 TYR HB3 54 PHE QE 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 858, 862,
 &end
#
# 29 TYR HB3 74 LEU QD2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1192,1193,1194,
 &end
#
# 29 TYR QD 30 GLN H 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 475, 484,
 &end
#
# 29 TYR QD 32 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 475, 484,
 &end
#
# 29 TYR QD 32 LYS HB3 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 475, 484,
 &end
#
# 29 TYR QD 32 LYS QD 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 475, 484,
 igr2= 532, 533,
 &end
#
# 29 TYR QD 32 LYS QE 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 475, 484,
 igr2= 535, 536,
 &end
#
# 29 TYR QD 32 LYS QG 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 475, 484,
 igr2= 529, 530,
 &end
#
# 29 TYR QD 33 VAL H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 475, 484,
 &end
#
# 29 TYR QD 33 VAL QG1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 475, 484,
 igr2= 550, 551, 552,
 &end
#
# 29 TYR QD 70 PHE QD 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 475, 484,
 igr2=1108,1116,
 &end
#
# 29 TYR QD 70 PHE QE 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 475, 484,
 igr2=1110,1114,
 &end
#
# 29 TYR QD 71 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 475, 484,
 &end
#
# 29 TYR QD 74 LEU QD2 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 475, 484,
 igr2=1192,1193,1194,
 &end
#
# 29 TYR QD 75 TYR QE 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 475, 484,
 igr2=1208,1213,
 &end
#
# 29 TYR QE 32 LYS QD 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 477, 482,
 igr2= 532, 533,
 &end
#
# 29 TYR QE 32 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 477, 482,
 igr2= 535, 536,
 &end
#
# 29 TYR QE 70 PHE QD 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 477, 482,
 igr2=1108,1116,
 &end
#
# 29 TYR QE 71 TYR H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 477, 482,
 &end
#
# 29 TYR QE 71 TYR HA 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 477, 482,
 &end
#
# 29 TYR QE 71 TYR HB3 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 477, 482,
 &end
#
# 29 TYR QE 74 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 482,
 &end
#
# 29 TYR QE 74 LEU QD2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 477, 482,
 igr2=1192,1193,1194,
 &end
#
# 29 TYR QE 75 TYR QD 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 477, 482,
 igr2=1206,1215,
 &end
#
# 29 TYR QE 75 TYR QE 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 477, 482,
 igr2=1208,1213,
 &end
#
# 30 GLN H 30 GLN HB2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 30 GLN H 30 GLN HB3 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 30 GLN H 54 PHE HZ 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 860, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 30 GLN H 54 PHE QE 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 858, 862,
 &end
#
# 30 GLN HA 30 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 GLN HA 33 VAL H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 544, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 30 GLN HA 33 VAL QG1 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 550, 551, 552,
 &end
#
# 30 GLN HA 33 VAL QG2 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 554, 555, 556,
 &end
#
# 30 GLN HA 50 VAL QG1 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HA 54 PHE HZ 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 860, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 30 GLN HA 54 PHE QE 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 858, 862,
 &end
#
# 30 GLN HB2 30 GLN HE21 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 30 GLN HB2 50 VAL QG1 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HB2 54 PHE QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 858, 862,
 &end
#
# 30 GLN HB3 31 HIS QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 509, 510,
 &end
#
# 30 GLN HB3 50 VAL QG1 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HB3 54 PHE HZ 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 860, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 30 GLN HB3 54 PHE QE 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 858, 862,
 &end
#
# 30 GLN HE21 50 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HE21 54 PHE HZ 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 860, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 30 GLN HE21 54 PHE QD 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 856, 864,
 &end
#
# 30 GLN HE22 50 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HE22 54 PHE QE 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 858, 862,
 &end
#
# 30 GLN HG2 31 HIS HA 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 507, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 30 GLN HG2 31 HIS QB 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 509, 510,
 &end
#
# 30 GLN HG2 50 VAL QG1 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HG2 54 PHE HZ 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 860, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 30 GLN HG2 54 PHE QE 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 858, 862,
 &end
#
# 30 GLN HG3 30 GLN HE21 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 30 GLN HG3 33 VAL QG1 6.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 550, 551, 552,
 &end
#
# 30 GLN HG3 50 VAL QG1 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 796, 797, 798,
 &end
#
# 30 GLN HG3 54 PHE QE 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 858, 862,
 &end
#
# 31 HIS H 32 LYS H 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 31 HIS HA 34 ALA QB 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 564, 565, 566,
 &end
#
# 31 HIS HA 35 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 HIS HB3 32 LYS H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 31 HIS QB 32 LYS H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 509, 510,
 &end
#
# 31 HIS QB 32 LYS HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 509, 510,
 &end
#
# 31 HIS QB 32 LYS HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 509, 510,
 &end
#
# 31 HIS QB 34 ALA QB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 509, 510,
 igr2= 564, 565, 566,
 &end
#
# 32 LYS H 32 LYS HB2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 32 LYS H 32 LYS QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 535, 536,
 &end
#
# 32 LYS H 32 LYS QG 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 529, 530,
 &end
#
# 32 LYS H 33 VAL H 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 32 LYS H 33 VAL QG1 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 550, 551, 552,
 &end
#
# 32 LYS HA 32 LYS QE 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 535, 536,
 &end
#
# 32 LYS HA 32 LYS QG 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 529, 530,
 &end
#
# 32 LYS HA 33 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 LYS HA 34 ALA H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 560, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 32 LYS HA 35 SER HB3 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 575, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 32 LYS HA 75 TYR QE 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=1208,1213,
 &end
#
# 32 LYS HB2 33 VAL H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 32 LYS HB2 75 TYR QE 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1208,1213,
 &end
#
# 32 LYS HB3 32 LYS QE 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 535, 536,
 &end
#
# 32 LYS HB3 33 VAL H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 544, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 32 LYS HB3 33 VAL QG1 5.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr2= 550, 551, 552,
 &end
#
# 32 LYS HB3 75 TYR QE 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2=1208,1213,
 &end
#
# 32 LYS QD 75 TYR QE 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 532, 533,
 igr2=1208,1213,
 &end
#
# 32 LYS QG 33 VAL H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 529, 530,
 &end
#
# 32 LYS QG 75 TYR QE 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 529, 530,
 igr2=1208,1213,
 &end
#
# 33 VAL H 33 VAL HB 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 33 VAL H 33 VAL QG1 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 550, 551, 552,
 &end
#
# 33 VAL H 33 VAL QG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 554, 555, 556,
 &end
#
# 33 VAL H 34 ALA H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 560, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 33 VAL H 34 ALA QB 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 564, 565, 566,
 &end
#
# 33 VAL H 36 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 VAL H 54 PHE HZ 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 860, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 33 VAL H 54 PHE QE 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 858, 862,
 &end
#
# 33 VAL H 75 TYR QE 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1208,1213,
 &end
#
# 33 VAL HA 33 VAL QG1 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 550, 551, 552,
 &end
#
# 33 VAL HA 33 VAL QG2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 554, 555, 556,
 &end
#
# 33 VAL HA 34 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 564, 565, 566,
 &end
#
# 33 VAL HA 35 SER HB3 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 575, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 33 VAL HA 36 LEU H 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 581, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 33 VAL HA 36 LEU HG 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 588, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 33 VAL HA 36 LEU QD2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 594, 595, 596,
 &end
#
# 33 VAL HA 37 VAL H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 600, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 33 VAL HA 75 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1206,1215,
 &end
#
# 33 VAL HA 75 TYR QE 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1208,1213,
 &end
#
# 33 VAL HA 78 ALA QB 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1266,1267,1268,
 &end
#
# 33 VAL HB 34 ALA H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 560, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 33 VAL HB 34 ALA QB 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 564, 565, 566,
 &end
#
# 33 VAL HB 35 SER H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 570, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 33 VAL HB 53 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 842, 843, 844,
 &end
#
# 33 VAL HB 54 PHE HZ 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 860, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 33 VAL HB 54 PHE QE 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 858, 862,
 &end
#
# 33 VAL HB 74 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 33 VAL HB 78 ALA QB 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1266,1267,1268,
 &end
#
# 33 VAL QG1 34 ALA H 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 550, 551, 552,
 &end
#
# 33 VAL QG1 54 PHE HZ 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 550, 551, 552,
 &end
#
# 33 VAL QG1 54 PHE QE 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 550, 551, 552,
 igr2= 858, 862,
 &end
#
# 33 VAL QG1 74 LEU QD2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 550, 551, 552,
 igr2=1192,1193,1194,
 &end
#
# 33 VAL QG1 75 TYR HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 550, 551, 552,
 &end
#
# 33 VAL QG1 75 TYR QD 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 550, 551, 552,
 igr2=1206,1215,
 &end
#
# 33 VAL QG1 75 TYR QE 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 550, 551, 552,
 igr2=1208,1213,
 &end
#
# 33 VAL QG1 78 ALA HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 550, 551, 552,
 &end
#
# 33 VAL QG1 78 ALA QB 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 550, 551, 552,
 igr2=1266,1267,1268,
 &end
#
# 33 VAL QG2 34 ALA H 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 34 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 34 ALA QB 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 554, 555, 556,
 igr2= 564, 565, 566,
 &end
#
# 33 VAL QG2 35 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 36 LEU QD1 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 554, 555, 556,
 igr2= 590, 591, 592,
 &end
#
# 33 VAL QG2 37 VAL H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 50 VAL HA 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 50 VAL QG1 3.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 554, 555, 556,
 igr2= 796, 797, 798,
 &end
#
# 33 VAL QG2 50 VAL QG2 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 554, 555, 556,
 igr2= 800, 801, 802,
 &end
#
# 33 VAL QG2 54 PHE H 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 54 PHE HZ 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 54 PHE QD 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 554, 555, 556,
 igr2= 856, 864,
 &end
#
# 33 VAL QG2 54 PHE QE 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 554, 555, 556,
 igr2= 858, 862,
 &end
#
# 33 VAL QG2 74 LEU QD1 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 554, 555, 556,
 igr2=1188,1189,1190,
 &end
#
# 33 VAL QG2 74 LEU QD2 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 554, 555, 556,
 igr2=1192,1193,1194,
 &end
#
# 33 VAL QG2 75 TYR HA 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 78 ALA HA 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 554, 555, 556,
 &end
#
# 33 VAL QG2 78 ALA QB 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 554, 555, 556,
 igr2=1266,1267,1268,
 &end
#
# 34 ALA H 34 ALA QB 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 564, 565, 566,
 &end
#
# 34 ALA H 35 SER H 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 570, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 34 ALA H 35 SER HB2 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 574, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 34 ALA H 35 SER HB3 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 575, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 34 ALA H 36 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 ALA H 46 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 742, 743, 744,
 &end
#
# 34 ALA H 50 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 796, 797, 798,
 &end
#
# 34 ALA H 50 VAL QG2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 800, 801, 802,
 &end
#
# 34 ALA H 54 PHE QE 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 858, 862,
 &end
#
# 34 ALA H 78 ALA QB 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=1266,1267,1268,
 &end
#
# 34 ALA HA 36 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 ALA HA 37 VAL H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 600, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 34 ALA HA 37 VAL HB 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 604, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 34 ALA HA 37 VAL QG1 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 606, 607, 608,
 &end
#
# 34 ALA HA 46 VAL QG2 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 742, 743, 744,
 &end
#
# 34 ALA HA 50 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 34 ALA HA 50 VAL QG2 3.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 800, 801, 802,
 &end
#
# 34 ALA HA 78 ALA QB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1266,1267,1268,
 &end
#
# 34 ALA QB 35 SER H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 35 SER HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 35 SER HB2 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 35 SER HB3 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 36 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 37 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 564, 565, 566,
 igr2= 610, 611, 612,
 &end
#
# 34 ALA QB 46 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 46 VAL QG2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 564, 565, 566,
 igr2= 742, 743, 744,
 &end
#
# 34 ALA QB 47 PRO HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 47 PRO HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 50 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 564, 565, 566,
 &end
#
# 34 ALA QB 50 VAL QG1 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 564, 565, 566,
 igr2= 796, 797, 798,
 &end
#
# 34 ALA QB 50 VAL QG2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 564, 565, 566,
 igr2= 800, 801, 802,
 &end
#
# 34 ALA QB 54 PHE QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 564, 565, 566,
 igr2= 858, 862,
 &end
#
# 35 SER H 35 SER HB2 3.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 574, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 35 SER H 35 SER HB3 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 35 SER H 36 LEU H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 581, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 35 SER H 37 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 606, 607, 608,
 &end
#
# 35 SER H 38 SER H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 35 SER H 50 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 800, 801, 802,
 &end
#
# 35 SER HA 35 SER HB2 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 35 SER HA 38 SER H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 616, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 35 SER HB2 36 LEU H 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 35 SER HB3 36 LEU H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 35 SER HB3 36 LEU HB2 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 35 SER HB3 36 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 SER HB3 36 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 594, 595, 596,
 &end
#
# 36 LEU H 36 LEU HB2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 585, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 36 LEU H 36 LEU HG 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 36 LEU H 36 LEU QD1 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 590, 591, 592,
 &end
#
# 36 LEU H 36 LEU QD2 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 594, 595, 596,
 &end
#
# 36 LEU H 37 VAL H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 36 LEU H 37 VAL HB 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 604, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 36 LEU H 37 VAL QG1 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 606, 607, 608,
 &end
#
# 36 LEU H 38 SER H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 616, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 36 LEU HA 36 LEU QD1 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 590, 591, 592,
 &end
#
# 36 LEU HA 36 LEU QD2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 594, 595, 596,
 &end
#
# 36 LEU HA 37 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 36 LEU HA 39 ARG QD 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 637, 638,
 &end
#
# 36 LEU HB2 36 LEU QD2 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 594, 595, 596,
 &end
#
# 36 LEU HB2 37 VAL H 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 600, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 36 LEU HB2 37 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LEU HB2 78 ALA QB 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1266,1267,1268,
 &end
#
# 36 LEU HB2 79 VAL HB 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 585,1276, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 36 LEU HB3 36 LEU QD2 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 594, 595, 596,
 &end
#
# 36 LEU HB3 37 VAL H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 600, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 36 LEU HG 37 VAL H 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 600, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 36 LEU HG 37 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 36 LEU HG 40 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 661, 666,
 &end
#
# 36 LEU QD1 37 VAL H 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 590, 591, 592,
 &end
#
# 36 LEU QD1 37 VAL HA 3.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 590, 591, 592,
 &end
#
# 36 LEU QD1 78 ALA QB 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 590, 591, 592,
 igr2=1266,1267,1268,
 &end
#
# 36 LEU QD2 37 VAL H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 37 VAL HA 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 40 TYR QD 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1= 594, 595, 596,
 igr2= 659, 668,
 &end
#
# 36 LEU QD2 75 TYR HA 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 75 TYR HB2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 75 TYR HB3 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 75 TYR QD 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 594, 595, 596,
 igr2=1206,1215,
 &end
#
# 36 LEU QD2 76 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 78 ALA QB 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 594, 595, 596,
 igr2=1266,1267,1268,
 &end
#
# 36 LEU QD2 79 VAL H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 594, 595, 596,
 &end
#
# 36 LEU QD2 79 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 594, 595, 596,
 &end
#
# 37 VAL H 37 VAL HB 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 37 VAL H 37 VAL QG1 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 606, 607, 608,
 &end
#
# 37 VAL H 37 VAL QG2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 610, 611, 612,
 &end
#
# 37 VAL H 38 SER H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 37 VAL H 40 TYR QD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 659, 668,
 &end
#
# 37 VAL H 78 ALA QB 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1266,1267,1268,
 &end
#
# 37 VAL HA 37 VAL QG2 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 610, 611, 612,
 &end
#
# 37 VAL HA 38 SER HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 37 VAL HA 38 SER HB2 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 620, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 37 VAL HA 40 TYR H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 651, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 37 VAL HA 40 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 VAL HA 40 TYR QD 2.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 659, 668,
 &end
#
# 37 VAL HA 40 TYR QE 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 661, 666,
 &end
#
# 37 VAL HA 41 VAL QG2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 682, 683, 684,
 &end
#
# 37 VAL HA 78 ALA QB 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1266,1267,1268,
 &end
#
# 37 VAL HB 38 SER H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 616, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 37 VAL HB 46 VAL HA 6.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 734, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 37 VAL HB 78 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 37 VAL HB 82 ALA QB 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1320,1321,1322,
 &end
#
# 37 VAL QG1 38 SER H 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 606, 607, 608,
 &end
#
# 37 VAL QG1 38 SER HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 606, 607, 608,
 &end
#
# 37 VAL QG1 38 SER HB2 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 606, 607, 608,
 &end
#
# 37 VAL QG1 40 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 606, 607, 608,
 igr2= 659, 668,
 &end
#
# 37 VAL QG1 41 VAL QG2 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 606, 607, 608,
 igr2= 682, 683, 684,
 &end
#
# 37 VAL QG1 46 VAL HA 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 606, 607, 608,
 &end
#
# 37 VAL QG1 46 VAL HB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 606, 607, 608,
 &end
#
# 37 VAL QG1 49 VAL QG2 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr1= 606, 607, 608,
 igr2= 784, 785, 786,
 &end
#
# 37 VAL QG1 78 ALA QB 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 606, 607, 608,
 igr2=1266,1267,1268,
 &end
#
# 37 VAL QG1 82 ALA QB 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 606, 607, 608,
 igr2=1320,1321,1322,
 &end
#
# 37 VAL QG2 39 ARG H 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 610, 611, 612,
 &end
#
# 37 VAL QG2 40 TYR QD 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 610, 611, 612,
 igr2= 659, 668,
 &end
#
# 37 VAL QG2 41 VAL QG2 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 610, 611, 612,
 igr2= 682, 683, 684,
 &end
#
# 37 VAL QG2 46 VAL HA 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 610, 611, 612,
 &end
#
# 37 VAL QG2 46 VAL HB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 610, 611, 612,
 &end
#
# 37 VAL QG2 49 VAL HB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 610, 611, 612,
 &end
#
# 37 VAL QG2 49 VAL QG1 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 610, 611, 612,
 igr2= 780, 781, 782,
 &end
#
# 37 VAL QG2 49 VAL QG2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 610, 611, 612,
 igr2= 784, 785, 786,
 &end
#
# 37 VAL QG2 50 VAL H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 610, 611, 612,
 &end
#
# 37 VAL QG2 82 ALA QB 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 610, 611, 612,
 igr2=1320,1321,1322,
 &end
#
# 38 SER H 38 SER HB2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 38 SER H 38 SER HB3 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 38 SER H 39 ARG H 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 627, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 38 SER H 41 VAL QG2 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 682, 683, 684,
 &end
#
# 38 SER HA 39 ARG HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 629, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 38 SER HA 40 TYR H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 651, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 38 SER HA 41 VAL H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 672, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 38 SER HA 41 VAL HB 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 676, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 38 SER HA 41 VAL QG2 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 682, 683, 684,
 &end
#
# 38 SER HA 46 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 SER HA 46 VAL QG1 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 738, 739, 740,
 &end
#
# 38 SER HA 46 VAL QG2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 742, 743, 744,
 &end
#
# 38 SER HB2 39 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 SER HB2 41 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 682, 683, 684,
 &end
#
# 38 SER HB3 39 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 38 SER HB3 41 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 682, 683, 684,
 &end
#
# 38 SER HB3 46 VAL QG1 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 738, 739, 740,
 &end
#
# 39 ARG H 39 ARG HB2 4.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 631, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 39 ARG H 39 ARG HB3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 632, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 39 ARG H 39 ARG HG2 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 634, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 39 ARG H 39 ARG HG3 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 635, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 39 ARG H 39 ARG QD 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 637, 638,
 &end
#
# 39 ARG H 40 TYR H 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 651, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 39 ARG H 40 TYR QD 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 659, 668,
 &end
#
# 39 ARG H 41 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 682, 683, 684,
 &end
#
# 39 ARG HA 39 ARG HB2 2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 631, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 39 ARG HA 39 ARG HG2 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 634, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 39 ARG HA 39 ARG HG3 3.81 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 635, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 39 ARG HA 39 ARG QD 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 637, 638,
 &end
#
# 39 ARG HA 40 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 39 ARG HB2 39 ARG QD 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 637, 638,
 &end
#
# 39 ARG HB2 40 TYR H 4.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 651, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 39 ARG HB2 40 TYR QD 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 659, 668,
 &end
#
# 39 ARG HB3 40 TYR H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 651, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 39 ARG HB3 40 TYR QD 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 659, 668,
 &end
#
# 39 ARG HB3 40 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 661, 666,
 &end
#
# 39 ARG QD 40 TYR QE 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 637, 638,
 igr2= 661, 666,
 &end
#
# 40 TYR H 40 TYR HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 40 TYR H 40 TYR QD 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 659, 668,
 &end
#
# 40 TYR H 40 TYR QE 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 661, 666,
 &end
#
# 40 TYR H 41 VAL H 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 672, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 40 TYR H 41 VAL QG1 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 678, 679, 680,
 &end
#
# 40 TYR H 41 VAL QG2 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 682, 683, 684,
 &end
#
# 40 TYR HA 40 TYR QD 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 659, 668,
 &end
#
# 40 TYR HA 40 TYR QE 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 661, 666,
 &end
#
# 40 TYR HA 41 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 678, 679, 680,
 &end
#
# 40 TYR HA 41 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 682, 683, 684,
 &end
#
# 40 TYR HA 82 ALA QB 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1320,1321,1322,
 &end
#
# 40 TYR HA 86 LEU QD1 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1392,1393,1394,
 &end
#
# 40 TYR HB2 41 VAL H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 40 TYR HB2 41 VAL QG1 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 678, 679, 680,
 &end
#
# 40 TYR HB2 41 VAL QG2 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 682, 683, 684,
 &end
#
# 40 TYR HB2 82 ALA QB 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1320,1321,1322,
 &end
#
# 40 TYR HB2 83 LYS HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,1334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 40 TYR HB2 86 LEU QD1 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1392,1393,1394,
 &end
#
# 40 TYR HB3 41 VAL H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 672, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 40 TYR HB3 82 ALA QB 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1320,1321,1322,
 &end
#
# 40 TYR HB3 86 LEU QD1 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1392,1393,1394,
 &end
#
# 40 TYR QD 79 VAL QG1 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 659, 668,
 igr2=1278,1279,1280,
 &end
#
# 40 TYR QD 79 VAL QG2 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 659, 668,
 igr2=1282,1283,1284,
 &end
#
# 40 TYR QD 82 ALA QB 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 659, 668,
 igr2=1320,1321,1322,
 &end
#
# 40 TYR QD 83 LYS HE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 659, 668,
 &end
#
# 40 TYR QD 83 LYS QD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 659, 668,
 igr2=1336,1337,
 &end
#
# 40 TYR QD 86 LEU QD1 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 659, 668,
 igr2=1392,1393,1394,
 &end
#
# 40 TYR QE 79 VAL HA 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 661, 666,
 &end
#
# 40 TYR QE 79 VAL HB 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 661, 666,
 &end
#
# 40 TYR QE 79 VAL QG1 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 661, 666,
 igr2=1278,1279,1280,
 &end
#
# 40 TYR QE 79 VAL QG2 2.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 661, 666,
 igr2=1282,1283,1284,
 &end
#
# 40 TYR QE 82 ALA QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 661, 666,
 igr2=1320,1321,1322,
 &end
#
# 40 TYR QE 83 LYS HE2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 661, 666,
 &end
#
# 41 VAL H 41 VAL QG1 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 678, 679, 680,
 &end
#
# 41 VAL H 41 VAL QG2 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 682, 683, 684,
 &end
#
# 41 VAL H 42 PRO QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
# 41 VAL H 46 VAL HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 734, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 41 VAL H 82 ALA QB 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1320,1321,1322,
 &end
#
# 41 VAL HA 41 VAL QG1 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 678, 679, 680,
 &end
#
# 41 VAL HA 41 VAL QG2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 682, 683, 684,
 &end
#
# 41 VAL HA 42 PRO HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 41 VAL HA 42 PRO HG3 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 693, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 41 VAL HA 42 PRO QD 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 689, 690,
 &end
#
# 41 VAL HA 86 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1392,1393,1394,
 &end
#
# 41 VAL HA 86 LEU QD2 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1396,1397,1398,
 &end
#
# 41 VAL HB 42 PRO QD 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 689, 690,
 &end
#
# 41 VAL HB 45 ASP HB2 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 724, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 41 VAL HB 45 ASP HB3 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 725, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 41 VAL HB 49 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 784, 785, 786,
 &end
#
# 41 VAL QG1 42 PRO HG2 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 692, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 42 PRO QD 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 678, 679, 680,
 igr2= 689, 690,
 &end
#
# 41 VAL QG1 45 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 45 ASP HB2 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 45 ASP HB3 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 49 VAL QG2 4.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 678, 679, 680,
 igr2= 784, 785, 786,
 &end
#
# 41 VAL QG1 85 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 85 TYR QD 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 678, 679, 680,
 igr2=1370,1379,
 &end
#
# 41 VAL QG1 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 678, 679, 680,
 igr2=1372,1377,
 &end
#
# 41 VAL QG1 86 LEU H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 86 LEU HB3 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 678, 679, 680,
 &end
#
# 41 VAL QG1 86 LEU QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 678, 679, 680,
 igr2=1392,1393,1394,
 &end
#
# 41 VAL QG2 42 PRO HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 42 PRO QD 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 682, 683, 684,
 igr2= 689, 690,
 &end
#
# 41 VAL QG2 45 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 45 ASP HB2 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 45 ASP HB3 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 46 VAL H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 46 VAL HA 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 46 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 46 VAL QG1 3.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 682, 683, 684,
 igr2= 738, 739, 740,
 &end
#
# 41 VAL QG2 47 PRO HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 49 VAL HB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 49 VAL QG2 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 682, 683, 684,
 igr2= 784, 785, 786,
 &end
#
# 41 VAL QG2 82 ALA HA 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 682, 683, 684,
 &end
#
# 41 VAL QG2 82 ALA QB 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 682, 683, 684,
 igr2=1320,1321,1322,
 &end
#
# 41 VAL QG2 85 TYR QD 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 682, 683, 684,
 igr2=1370,1379,
 &end
#
# 41 VAL QG2 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 682, 683, 684,
 igr2=1372,1377,
 &end
#
# 41 VAL QG2 86 LEU QD1 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 682, 683, 684,
 igr2=1392,1393,1394,
 &end
#
# 42 PRO HA 43 SER H 3.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 702, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 42 PRO HA 43 SER HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 704, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 42 PRO HA 44 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 PRO HB2 43 SER H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 42 PRO HB2 45 ASP H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 720, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 42 PRO HB3 43 SER H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 702, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 42 PRO HG2 44 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 42 PRO HG2 45 ASP H 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 720, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 42 PRO HG3 44 GLY H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 713, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 42 PRO HG3 45 ASP H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 693, 720, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 42 PRO QD 45 ASP H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 689, 690,
 &end
#
# 42 PRO QD 45 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 722, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 689, 690,
 &end
#
# 42 PRO QD 45 ASP HB2 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 689, 690,
 &end
#
# 42 PRO QD 45 ASP HB3 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 689, 690,
 &end
#
# 42 PRO QD 46 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 689, 690,
 &end
#
# 42 PRO QD 85 TYR QE 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 689, 690,
 igr2=1372,1377,
 &end
#
# 43 SER H 44 GLY H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 713, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 43 SER H 45 ASP H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 720, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 43 SER H 46 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 43 SER H 46 VAL QG1 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 738, 739, 740,
 &end
#
# 43 SER HA 46 VAL H 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 732, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 43 SER HA 46 VAL HB 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 736, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 43 SER HA 46 VAL QG1 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 738, 739, 740,
 &end
#
# 44 GLY H 45 ASP H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 720, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 44 GLY H 45 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 722, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 GLY H 46 VAL H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 732, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 44 GLY H 47 PRO HD3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 GLY HA2 46 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 GLY HA3 46 VAL H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 732, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 44 GLY HA3 47 PRO HD2 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 749, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 44 GLY HA3 47 PRO HD3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 ASP H 45 ASP HB2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 45 ASP H 45 ASP HB3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 725, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 45 ASP H 46 VAL H 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 732, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 45 ASP H 46 VAL HB 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 736, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 45 ASP H 46 VAL QG1 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 738, 739, 740,
 &end
#
# 45 ASP H 47 PRO HD2 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 749, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 45 ASP H 47 PRO HD3 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 750, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 45 ASP HA 47 PRO HD3 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 722, 750, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 45 ASP HA 48 ASP H 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 722, 762, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 45 ASP HA 48 ASP HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 722, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 ASP HA 49 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 722, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 ASP HA 49 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 784, 785, 786,
 &end
#
# 45 ASP HA 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 722,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1377,
 &end
#
# 45 ASP HB2 46 VAL H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 732, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 45 ASP HB2 46 VAL HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 45 ASP HB2 49 VAL QG2 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 784, 785, 786,
 &end
#
# 45 ASP HB2 85 TYR QD 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1370,1379,
 &end
#
# 45 ASP HB2 85 TYR QE 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1372,1377,
 &end
#
# 45 ASP HB2 86 LEU QD2 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2=1396,1397,1398,
 &end
#
# 45 ASP HB3 46 VAL H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 732, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 45 ASP HB3 49 VAL QG2 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 784, 785, 786,
 &end
#
# 45 ASP HB3 85 TYR QE 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1372,1377,
 &end
#
# 46 VAL H 46 VAL HB 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 46 VAL H 46 VAL QG1 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 738, 739, 740,
 &end
#
# 46 VAL H 46 VAL QG2 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 742, 743, 744,
 &end
#
# 46 VAL H 47 PRO HD2 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 749, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 46 VAL H 47 PRO HD3 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 750, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 46 VAL H 47 PRO HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 46 VAL H 48 ASP H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 732, 762, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 46 VAL HA 46 VAL QG1 3.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 738, 739, 740,
 &end
#
# 46 VAL HA 46 VAL QG2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 742, 743, 744,
 &end
#
# 46 VAL HA 48 ASP H 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 762, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 46 VAL HA 49 VAL H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 774, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 46 VAL HA 49 VAL HB 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 778, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 46 VAL HA 49 VAL QG2 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 784, 785, 786,
 &end
#
# 46 VAL HA 50 VAL H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 790, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 46 VAL HB 47 PRO HD2 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 749, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 46 VAL HB 47 PRO HD3 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 750, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 46 VAL QG2 47 PRO HA 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 742, 743, 744,
 &end
#
# 46 VAL QG2 47 PRO HD2 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 742, 743, 744,
 &end
#
# 46 VAL QG2 47 PRO HD3 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 742, 743, 744,
 &end
#
# 46 VAL QG2 48 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 742, 743, 744,
 &end
#
# 46 VAL QG2 50 VAL QG2 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 742, 743, 744,
 igr2= 800, 801, 802,
 &end
#
# 47 PRO HA 48 ASP HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 764, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 47 PRO HA 49 VAL H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 774, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 47 PRO HA 50 VAL H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 790, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 47 PRO HA 50 VAL HB 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 794, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 47 PRO HA 50 VAL QG1 4.63 
 &rst
  ixpk= 0, nxpk= 0, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 796, 797, 798,
 &end
#
# 47 PRO HA 50 VAL QG2 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 800, 801, 802,
 &end
#
# 47 PRO HB2 48 ASP H 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 47 PRO HB2 48 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 PRO HB3 48 ASP H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 762, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 47 PRO HB3 48 ASP HA 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 764, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 47 PRO HD2 48 ASP H 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 762, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 47 PRO HD3 48 ASP H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 47 PRO HD3 49 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 47 PRO HG2 48 ASP H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 752, 762, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 47 PRO HG3 48 ASP H 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 762, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 47 PRO HG3 48 ASP HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 764, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 48 ASP H 48 ASP HB2 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 48 ASP H 48 ASP HB3 3.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 48 ASP H 49 VAL H 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 48 ASP H 49 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 784, 785, 786,
 &end
#
# 48 ASP H 50 VAL H 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 790, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 48 ASP HA 49 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 784, 785, 786,
 &end
#
# 48 ASP HA 50 VAL H 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 790, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 48 ASP HA 51 GLN HG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 48 ASP HA 51 GLN QB 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 810, 811,
 &end
#
# 48 ASP HA 52 GLU H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 823, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 48 ASP HB2 49 VAL H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 774, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 48 ASP HB2 49 VAL HA 5.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 776, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 48 ASP HB2 49 VAL QG2 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 784, 785, 786,
 &end
#
# 48 ASP HB2 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1377,
 &end
#
# 48 ASP HB3 49 VAL H 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 48 ASP HB3 49 VAL HA 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 776, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 48 ASP HB3 49 VAL QG1 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 780, 781, 782,
 &end
#
# 48 ASP HB3 49 VAL QG2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 784, 785, 786,
 &end
#
# 48 ASP HB3 50 VAL H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 790, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 48 ASP HB3 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1372,1377,
 &end
#
# 49 VAL H 49 VAL HB 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 49 VAL H 49 VAL QG1 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 780, 781, 782,
 &end
#
# 49 VAL H 49 VAL QG2 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 784, 785, 786,
 &end
#
# 49 VAL H 50 VAL H 3.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 790, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 49 VAL H 50 VAL HB 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 794, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 49 VAL H 50 VAL QG2 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 800, 801, 802,
 &end
#
# 49 VAL HA 49 VAL QG1 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 780, 781, 782,
 &end
#
# 49 VAL HA 49 VAL QG2 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 784, 785, 786,
 &end
#
# 49 VAL HA 51 GLN QB 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 810, 811,
 &end
#
# 49 VAL HA 52 GLU H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 823, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 49 VAL HA 52 GLU HB2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 827, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 49 VAL HA 52 GLU HB3 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 828, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 49 VAL HA 52 GLU HG3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 VAL HA 53 ALA H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 838, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 49 VAL HA 53 ALA QB 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 842, 843, 844,
 &end
#
# 49 VAL HA 81 THR QG2 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1308,1309,1310,
 &end
#
# 49 VAL HA 85 TYR QD 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1370,1379,
 &end
#
# 49 VAL HB 50 VAL H 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 790, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 49 VAL HB 50 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 49 VAL HB 85 TYR QD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1370,1379,
 &end
#
# 49 VAL QG1 50 VAL H 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 52 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 52 GLU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 52 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 53 ALA H 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 53 ALA HA 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 53 ALA QB 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 780, 781, 782,
 igr2= 842, 843, 844,
 &end
#
# 49 VAL QG1 81 THR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 81 THR HB 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 81 THR QG2 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 780, 781, 782,
 igr2=1308,1309,1310,
 &end
#
# 49 VAL QG1 82 ALA H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 82 ALA HA 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 82 ALA QB 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 780, 781, 782,
 igr2=1320,1321,1322,
 &end
#
# 49 VAL QG1 85 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 85 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 85 TYR HB3 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 780, 781, 782,
 &end
#
# 49 VAL QG1 85 TYR QD 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 780, 781, 782,
 igr2=1370,1379,
 &end
#
# 49 VAL QG1 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 780, 781, 782,
 igr2=1372,1377,
 &end
#
# 49 VAL QG2 50 VAL H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 784, 785, 786,
 &end
#
# 49 VAL QG2 50 VAL QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 784, 785, 786,
 igr2= 800, 801, 802,
 &end
#
# 49 VAL QG2 52 GLU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 784, 785, 786,
 &end
#
# 49 VAL QG2 81 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 784, 785, 786,
 igr2=1308,1309,1310,
 &end
#
# 49 VAL QG2 82 ALA HA 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 784, 785, 786,
 &end
#
# 49 VAL QG2 85 TYR HB3 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 784, 785, 786,
 &end
#
# 49 VAL QG2 85 TYR QD 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 784, 785, 786,
 igr2=1370,1379,
 &end
#
# 49 VAL QG2 85 TYR QE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 784, 785, 786,
 igr2=1372,1377,
 &end
#
# 50 VAL H 50 VAL HB 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 794, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 50 VAL H 50 VAL QG1 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 796, 797, 798,
 &end
#
# 50 VAL H 50 VAL QG2 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 800, 801, 802,
 &end
#
# 50 VAL H 51 GLN H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 806, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 50 VAL H 51 GLN QB 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 810, 811,
 &end
#
# 50 VAL H 52 GLU H 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 50 VAL HA 50 VAL QG1 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 796, 797, 798,
 &end
#
# 50 VAL HA 50 VAL QG2 3.36 
 &rst
  ixpk= 0, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 800, 801, 802,
 &end
#
# 50 VAL HA 53 ALA H 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 838, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 50 VAL HA 53 ALA QB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 842, 843, 844,
 &end
#
# 50 VAL HA 54 PHE H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 848, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 50 VAL HB 51 GLN H 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 50 VAL QG1 51 GLN H 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 796, 797, 798,
 &end
#
# 50 VAL QG1 51 GLN HA 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 796, 797, 798,
 &end
#
# 50 VAL QG1 51 GLN QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 796, 797, 798,
 igr2= 810, 811,
 &end
#
# 50 VAL QG1 54 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 796, 797, 798,
 &end
#
# 50 VAL QG1 54 PHE HZ 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 796, 797, 798,
 &end
#
# 50 VAL QG1 54 PHE QD 2.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 796, 797, 798,
 igr2= 856, 864,
 &end
#
# 50 VAL QG1 54 PHE QE 2.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 796, 797, 798,
 igr2= 858, 862,
 &end
#
# 50 VAL QG2 51 GLN H 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 800, 801, 802,
 &end
#
# 50 VAL QG2 53 ALA H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 800, 801, 802,
 &end
#
# 50 VAL QG2 53 ALA QB 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 800, 801, 802,
 igr2= 842, 843, 844,
 &end
#
# 50 VAL QG2 54 PHE QE 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 800, 801, 802,
 igr2= 858, 862,
 &end
#
# 50 VAL QG2 82 ALA QB 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 800, 801, 802,
 igr2=1320,1321,1322,
 &end
#
# 51 GLN H 51 GLN QB 3.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 810, 811,
 &end
#
# 51 GLN H 51 GLN QG 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 813, 814,
 &end
#
# 51 GLN H 52 GLU H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 823, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 51 GLN H 53 ALA H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 838, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 51 GLN HA 51 GLN HG2 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 813, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 51 GLN HA 51 GLN HG3 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 814, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 51 GLN HA 51 GLN QB 3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 810, 811,
 &end
#
# 51 GLN HA 53 ALA H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 838, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 51 GLN HA 54 PHE H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 848, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 51 GLN HA 54 PHE HB2 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 852, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 51 GLN HA 54 PHE HB3 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 853, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 51 GLN HA 54 PHE QD 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 856, 864,
 &end
#
# 51 GLN HA 55 ILE H 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 868, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 51 GLN HA 55 ILE HG12 5.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 878, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  &end
#
# 51 GLN HA 55 ILE QD1 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 881, 882, 883,
 &end
#
# 51 GLN HE21 55 ILE HG12 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 819, 878, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 51 GLN HE21 55 ILE QD1 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 881, 882, 883,
 &end
#
# 51 GLN HE22 55 ILE QD1 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 881, 882, 883,
 &end
#
# 51 GLN HG2 55 ILE HG12 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 878, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 51 GLN HG2 55 ILE QD1 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 881, 882, 883,
 &end
#
# 51 GLN HG3 54 PHE HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 GLN HG3 55 ILE HG13 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 879, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 51 GLN HG3 55 ILE QD1 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 881, 882, 883,
 &end
#
# 51 GLN QB 51 GLN HE21 4.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 810, 811,
 &end
#
# 51 GLN QB 51 GLN HG3 2.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr1= 810, 811,
 &end
#
# 51 GLN QB 52 GLU H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 810, 811,
 &end
#
# 51 GLN QB 55 ILE HG12 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 810, 811,
 &end
#
# 51 GLN QB 55 ILE QD1 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 810, 811,
 igr2= 881, 882, 883,
 &end
#
# 51 GLN QG 51 GLN HE21 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 813, 814,
 &end
#
# 51 GLN QG 52 GLU H 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 813, 814,
 &end
#
# 52 GLU H 52 GLU HB3 3.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 52 GLU H 52 GLU HG2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 830, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 52 GLU H 52 GLU HG3 4.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 831, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 52 GLU H 53 ALA H 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 52 GLU H 53 ALA HA 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 840, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 52 GLU H 53 ALA QB 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 842, 843, 844,
 &end
#
# 52 GLU H 55 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 881, 882, 883,
 &end
#
# 52 GLU HA 52 GLU HG2 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 52 GLU HA 52 GLU HG3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 831, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 52 GLU HA 53 ALA QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 842, 843, 844,
 &end
#
# 52 GLU HA 55 ILE H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 868, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 52 GLU HA 55 ILE HB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 872, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 52 GLU HA 55 ILE HG12 4.71 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 878, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 52 GLU HA 55 ILE HG13 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 879, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 52 GLU HA 55 ILE QD1 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 881, 882, 883,
 &end
#
# 52 GLU HA 55 ILE QG2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 874, 875, 876,
 &end
#
# 52 GLU HA 56 LYS H 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 887, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 52 GLU HB2 53 ALA H 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 52 GLU HB3 53 ALA H 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 52 GLU HB3 53 ALA HA 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 52 GLU HB3 53 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 842, 843, 844,
 &end
#
# 52 GLU HB3 56 LYS QD 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 897, 898,
 &end
#
# 52 GLU HB3 81 THR QG2 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1308,1309,1310,
 &end
#
# 52 GLU HG2 53 ALA H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 52 GLU HG2 53 ALA HA 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 840, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 52 GLU HG2 55 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 881, 882, 883,
 &end
#
# 52 GLU HG2 55 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 874, 875, 876,
 &end
#
# 52 GLU HG2 56 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 GLU HG2 56 LYS HB2 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 891, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 52 GLU HG2 56 LYS QD 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 897, 898,
 &end
#
# 52 GLU HG2 56 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 900, 901,
 &end
#
# 52 GLU HG2 56 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 894, 895,
 &end
#
# 52 GLU HG2 81 THR QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1308,1309,1310,
 &end
#
# 52 GLU HG3 53 ALA H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 838, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 52 GLU HG3 53 ALA HA 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 52 GLU HG3 55 ILE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 868, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 52 GLU HG3 55 ILE HB 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 872, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 52 GLU HG3 55 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 881, 882, 883,
 &end
#
# 52 GLU HG3 55 ILE QG2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 874, 875, 876,
 &end
#
# 52 GLU HG3 56 LYS QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 900, 901,
 &end
#
# 52 GLU HG3 56 LYS QG 5.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 894, 895,
 &end
#
# 52 GLU HG3 81 THR QG2 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1308,1309,1310,
 &end
#
# 53 ALA H 53 ALA QB 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 842, 843, 844,
 &end
#
# 53 ALA H 54 PHE H 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 848, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 53 ALA H 54 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 856, 864,
 &end
#
# 53 ALA H 56 LYS H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 887, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 53 ALA H 77 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1249,1250,1251,
 &end
#
# 53 ALA H 81 THR QG2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1308,1309,1310,
 &end
#
# 53 ALA HA 55 ILE H 5.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 868, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 53 ALA HA 56 LYS H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 887, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 53 ALA HA 56 LYS HB2 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 891, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 53 ALA HA 56 LYS QE 4.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 900, 901,
 &end
#
# 53 ALA HA 77 ILE QG2 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1249,1250,1251,
 &end
#
# 53 ALA HA 78 ALA HA 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,1264, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 53 ALA HA 81 THR HB 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,1306, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 53 ALA HA 81 THR QG2 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1308,1309,1310,
 &end
#
# 53 ALA QB 54 PHE H 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 54 PHE HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 54 PHE HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 54 PHE QD 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 842, 843, 844,
 igr2= 856, 864,
 &end
#
# 53 ALA QB 55 ILE H 5.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 56 LYS H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 56 LYS QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 842, 843, 844,
 igr2= 894, 895,
 &end
#
# 53 ALA QB 57 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 842, 843, 844,
 igr2= 913, 914, 915,
 &end
#
# 53 ALA QB 77 ILE HB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 77 ILE QG2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 842, 843, 844,
 igr2=1249,1250,1251,
 &end
#
# 53 ALA QB 78 ALA HA 3.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 842, 843, 844,
 &end
#
# 53 ALA QB 81 THR HB 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 842, 843, 844,
 &end
#
# 54 PHE H 54 PHE HB2 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 852, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 54 PHE H 54 PHE HB3 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 853, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 54 PHE H 54 PHE QD 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 856, 864,
 &end
#
# 54 PHE H 55 ILE H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 868, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 54 PHE H 55 ILE HB 4.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 872, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 54 PHE H 55 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 881, 882, 883,
 &end
#
# 54 PHE H 56 LYS H 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 887, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 54 PHE H 57 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
# 54 PHE H 77 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1249,1250,1251,
 &end
#
# 54 PHE HA 54 PHE QD 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2= 856, 864,
 &end
#
# 54 PHE HA 54 PHE QE 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 858, 862,
 &end
#
# 54 PHE HA 56 LYS H 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 54 PHE HA 57 ALA H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 909, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 54 PHE HA 57 ALA HA 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 911, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 54 PHE HA 57 ALA QB 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 913, 914, 915,
 &end
#
# 54 PHE HA 58 TYR H 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 919, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 54 PHE HA 74 LEU QD1 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1188,1189,1190,
 &end
#
# 54 PHE HB2 55 ILE H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 868, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 54 PHE HB2 57 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
# 54 PHE HB3 55 ILE H 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 868, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 54 PHE QD 54 PHE HZ 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 856, 864,
 &end
#
# 54 PHE QD 55 ILE H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 856, 864,
 &end
#
# 54 PHE QD 57 ALA H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 856, 864,
 &end
#
# 54 PHE QD 57 ALA QB 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 856, 864,
 igr2= 913, 914, 915,
 &end
#
# 54 PHE QD 74 LEU QD1 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 856, 864,
 igr2=1188,1189,1190,
 &end
#
# 54 PHE QE 74 LEU QD1 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 858, 862,
 igr2=1188,1189,1190,
 &end
#
# 54 PHE QE 74 LEU QD2 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 858, 862,
 igr2=1192,1193,1194,
 &end
#
# 55 ILE H 55 ILE HB 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 872, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 55 ILE H 55 ILE HG12 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 878, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 55 ILE H 55 ILE HG13 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 879, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 55 ILE H 55 ILE QD1 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 881, 882, 883,
 &end
#
# 55 ILE H 55 ILE QG2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 874, 875, 876,
 &end
#
# 55 ILE H 56 LYS H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 887, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 55 ILE H 57 ALA H 4.70 
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 909, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 55 ILE H 57 ALA QB 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 913, 914, 915,
 &end
#
# 55 ILE HA 55 ILE HG12 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 878, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 55 ILE HA 55 ILE HG13 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 879, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 55 ILE HA 55 ILE QD1 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 881, 882, 883,
 &end
#
# 55 ILE HA 55 ILE QG2 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 874, 875, 876,
 &end
#
# 55 ILE HA 57 ALA QB 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 913, 914, 915,
 &end
#
# 55 ILE HA 58 TYR H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 919, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 55 ILE HA 58 TYR HB2 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 923, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 55 ILE HA 58 TYR HB3 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 924, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 55 ILE HA 58 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 927, 936,
 &end
#
# 55 ILE HB 55 ILE QD1 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 872,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 881, 882, 883,
 &end
#
# 55 ILE HB 56 LYS H 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 887, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 55 ILE HB 56 LYS HB3 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 892, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 55 ILE HB 57 ALA H 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 909, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 55 ILE HB 59 ARG HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 950, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 55 ILE HG12 56 LYS H 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 887, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 55 ILE HG13 56 LYS H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 887, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 55 ILE QD1 56 LYS H 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 881, 882, 883,
 &end
#
# 55 ILE QG2 55 ILE HG12 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 874, 875, 876,
 &end
#
# 55 ILE QG2 55 ILE HG13 3.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 874, 875, 876,
 &end
#
# 55 ILE QG2 55 ILE QD1 2.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 874, 875, 876,
 igr2= 881, 882, 883,
 &end
#
# 55 ILE QG2 56 LYS H 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 874, 875, 876,
 &end
#
# 55 ILE QG2 58 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 874, 875, 876,
 &end
#
# 55 ILE QG2 58 TYR QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 874, 875, 876,
 igr2= 927, 936,
 &end
#
# 55 ILE QG2 59 ARG HD2 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 874, 875, 876,
 &end
#
# 55 ILE QG2 59 ARG HD3 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 874, 875, 876,
 &end
#
# 55 ILE QG2 59 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 874, 875, 876,
 igr2= 947, 948,
 &end
#
# 56 LYS H 56 LYS HB2 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 891, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 56 LYS H 56 LYS HB3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 56 LYS H 56 LYS QD 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 897, 898,
 &end
#
# 56 LYS H 56 LYS QE 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 900, 901,
 &end
#
# 56 LYS H 56 LYS QG 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 894, 895,
 &end
#
# 56 LYS H 77 ILE QG2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1249,1250,1251,
 &end
#
# 56 LYS HA 56 LYS QG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 894, 895,
 &end
#
# 56 LYS HA 59 ARG H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 940, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 56 LYS HA 59 ARG HD2 4.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 950, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 56 LYS HA 59 ARG HD3 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 951, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 56 LYS HA 60 ALA QB 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 968, 969, 970,
 &end
#
# 56 LYS HA 77 ILE QG2 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1249,1250,1251,
 &end
#
# 56 LYS HB2 56 LYS QD 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 897, 898,
 &end
#
# 56 LYS HB2 56 LYS QE 5.07 
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 900, 901,
 &end
#
# 56 LYS HB2 57 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 913, 914, 915,
 &end
#
# 56 LYS HB2 77 ILE QG2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1249,1250,1251,
 &end
#
# 56 LYS HB3 56 LYS QE 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 900, 901,
 &end
#
# 56 LYS HB3 77 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1256,1257,1258,
 &end
#
# 56 LYS HB3 77 ILE QG2 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1249,1250,1251,
 &end
#
# 56 LYS QD 56 LYS QE 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 897, 898,
 igr2= 900, 901,
 &end
#
# 56 LYS QD 77 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 897, 898,
 igr2=1256,1257,1258,
 &end
#
# 56 LYS QD 77 ILE QG2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 897, 898,
 igr2=1249,1250,1251,
 &end
#
# 56 LYS QD 81 THR QG2 4.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 897, 898,
 igr2=1308,1309,1310,
 &end
#
# 56 LYS QE 77 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 900, 901,
 igr2=1256,1257,1258,
 &end
#
# 56 LYS QE 77 ILE QG2 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 900, 901,
 igr2=1249,1250,1251,
 &end
#
# 56 LYS QE 81 THR HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 900, 901,
 &end
#
# 56 LYS QE 81 THR QG2 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 900, 901,
 igr2=1308,1309,1310,
 &end
#
# 56 LYS QG 56 LYS QD 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 894, 895,
 igr2= 897, 898,
 &end
#
# 56 LYS QG 56 LYS QE 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 894, 895,
 igr2= 900, 901,
 &end
#
# 56 LYS QG 57 ALA H 4.78 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 894, 895,
 &end
#
# 56 LYS QG 57 ALA QB 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 894, 895,
 igr2= 913, 914, 915,
 &end
#
# 56 LYS QG 60 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 894, 895,
 &end
#
# 56 LYS QG 60 ALA QB 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 894, 895,
 igr2= 968, 969, 970,
 &end
#
# 56 LYS QG 77 ILE QG2 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 894, 895,
 igr2=1249,1250,1251,
 &end
#
# 57 ALA H 57 ALA QB 3.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 913, 914, 915,
 &end
#
# 57 ALA H 58 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 ALA H 59 ARG H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 940, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 57 ALA H 77 ILE QD1 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1256,1257,1258,
 &end
#
# 57 ALA H 77 ILE QG2 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1249,1250,1251,
 &end
#
# 57 ALA HA 60 ALA H 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 964, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 57 ALA HA 60 ALA QB 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 968, 969, 970,
 &end
#
# 57 ALA HA 61 LEU H 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 974, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 57 ALA HA 73 TRP HH2 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,1170, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 57 ALA HA 73 TRP HZ2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 ALA HA 73 TRP HZ3 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,1172, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 57 ALA HA 74 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1188,1189,1190,
 &end
#
# 57 ALA HA 77 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 57 ALA HA 77 ILE QD1 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1256,1257,1258,
 &end
#
# 57 ALA HA 77 ILE QG2 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1249,1250,1251,
 &end
#
# 57 ALA QB 58 TYR H 3.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 58 TYR HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 58 TYR HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 60 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 73 TRP HH2 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 73 TRP HZ2 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 73 TRP HZ3 3.16 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 74 LEU HA 4.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 74 LEU QD1 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 913, 914, 915,
 igr2=1188,1189,1190,
 &end
#
# 57 ALA QB 74 LEU QD2 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 913, 914, 915,
 igr2=1192,1193,1194,
 &end
#
# 57 ALA QB 77 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1253, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 77 ILE HG13 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
# 57 ALA QB 77 ILE QD1 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 913, 914, 915,
 igr2=1256,1257,1258,
 &end
#
# 57 ALA QB 77 ILE QG2 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 913, 914, 915,
 igr2=1249,1250,1251,
 &end
#
# 58 TYR H 58 TYR HB2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 923, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 58 TYR H 58 TYR HB3 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 924, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 58 TYR H 58 TYR QD 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 927, 936,
 &end
#
# 58 TYR H 59 ARG H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 940, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 58 TYR H 60 ALA H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 964, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 58 TYR H 61 LEU QD1 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2= 983, 984, 985,
 &end
#
# 58 TYR H 77 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1249,1250,1251,
 &end
#
# 58 TYR HA 58 TYR QD 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 927, 936,
 &end
#
# 58 TYR HA 58 TYR QE 4.62 
 &rst
  ixpk= 0, nxpk= 0, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 929, 934,
 &end
#
# 58 TYR HA 59 ARG HA 4.80 
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 942, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 58 TYR HA 60 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 TYR HA 61 LEU H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 974, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 58 TYR HA 61 LEU HB2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 978, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 58 TYR HA 61 LEU HB3 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 979, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 58 TYR HA 61 LEU QD1 4.16 
 &rst
  ixpk= 0, nxpk= 0, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 983, 984, 985,
 &end
#
# 58 TYR HA 61 LEU QD2 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 987, 988, 989,
 &end
#
# 58 TYR HB2 59 ARG H 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 940, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 58 TYR HB2 59 ARG QG 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 947, 948,
 &end
#
# 58 TYR HB2 61 LEU HB2 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 978, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 58 TYR HB3 59 ARG H 3.99 
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 940, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 58 TYR HB3 59 ARG HD3 5.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 951, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 58 TYR HB3 59 ARG QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 947, 948,
 &end
#
# 58 TYR HB3 61 LEU HB2 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat= 924, 978, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 58 TYR QD 59 ARG H 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 927, 936,
 &end
#
# 58 TYR QD 59 ARG HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 927, 936,
 &end
#
# 58 TYR QD 59 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 936,
 &end
#
# 58 TYR QD 59 ARG HD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 936,
 &end
#
# 58 TYR QD 59 ARG QG 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 927, 936,
 igr2= 947, 948,
 &end
#
# 58 TYR QD 61 LEU HB3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 927, 936,
 &end
#
# 58 TYR QD 61 LEU QQD 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 927, 936,
 igr2= 983, 984, 985, 987, 988, 989,
 &end
#
# 58 TYR QD 62 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 927, 936,
 &end
#
# 58 TYR QE 59 ARG H 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 929, 934,
 &end
#
# 58 TYR QE 59 ARG QG 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 929, 934,
 igr2= 947, 948,
 &end
#
# 59 ARG H 59 ARG HB2 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 59 ARG H 59 ARG HB3 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 59 ARG H 59 ARG HD2 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 950, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 59 ARG H 59 ARG HD3 4.59 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 951, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 59 ARG H 59 ARG QG 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 947, 948,
 &end
#
# 59 ARG H 60 ALA H 3.61 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 964, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 59 ARG H 60 ALA QB 4.47 
 &rst
  ixpk= 0, nxpk= 0, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 968, 969, 970,
 &end
#
# 59 ARG H 61 LEU H 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 974, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 59 ARG HA 59 ARG HD2 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 950, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 59 ARG HA 59 ARG HD3 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 951, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 59 ARG HA 59 ARG QG 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 947, 948,
 &end
#
# 59 ARG HA 61 LEU H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 974, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 59 ARG HB2 59 ARG HD2 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 950, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 59 ARG HB2 59 ARG HD3 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 951, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 59 ARG HB2 59 ARG QG 2.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2= 947, 948,
 &end
#
# 59 ARG HB2 60 ALA H 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 964, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 59 ARG HB2 60 ALA QB 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 968, 969, 970,
 &end
#
# 59 ARG HB3 60 ALA H 4.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 964, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 59 ARG HB3 62 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
# 59 ARG HD3 60 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 951, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 59 ARG QG 60 ALA H 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 947, 948,
 &end
#
# 59 ARG QG 61 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 947, 948,
 &end
#
# 60 ALA H 60 ALA QB 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 968, 969, 970,
 &end
#
# 60 ALA H 61 LEU H 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 974, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 60 ALA H 61 LEU HB2 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 978, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 60 ALA H 61 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 983, 984, 985,
 &end
#
# 60 ALA H 63 SER H 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1005, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 60 ALA H 73 TRP HH2 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1170, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 60 ALA H 73 TRP HZ2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1168, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 60 ALA H 77 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1256,1257,1258,
 &end
#
# 60 ALA HA 62 ASP H 4.79 
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 993, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 60 ALA HA 63 SER HB3 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 966,1010, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 60 ALA HA 77 ILE QD1 5.60 
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1256,1257,1258,
 &end
#
# 60 ALA QB 61 LEU H 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 61 LEU HB2 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 62 ASP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 63 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 63 SER HB3 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 73 TRP HE1 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 73 TRP HH2 2.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 73 TRP HZ2 2.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 73 TRP HZ3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 968, 969, 970,
 &end
#
# 60 ALA QB 77 ILE QD1 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 968, 969, 970,
 igr2=1256,1257,1258,
 &end
#
# 60 ALA QB 77 ILE QG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 968, 969, 970,
 igr2=1249,1250,1251,
 &end
#
# 61 LEU H 61 LEU HB2 3.04 
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 978, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
# 61 LEU H 61 LEU HG 4.39 
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 981, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 61 LEU H 61 LEU QD1 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 983, 984, 985,
 &end
#
# 61 LEU H 61 LEU QD2 5.14 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 987, 988, 989,
 &end
#
# 61 LEU H 62 ASP H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 993, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 61 LEU H 62 ASP QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
# 61 LEU HA 61 LEU QD2 3.78 
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 987, 988, 989,
 &end
#
# 61 LEU HA 62 ASP HA 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 995, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 61 LEU HA 64 PHE HB2 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1020, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 61 LEU HA 64 PHE QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1024,1032,
 &end
#
# 61 LEU HA 73 TRP HH2 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1170, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 61 LEU HA 73 TRP HZ2 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1168, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 61 LEU HA 73 TRP HZ3 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1172, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 61 LEU HB2 61 LEU QD1 3.66 
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 983, 984, 985,
 &end
#
# 61 LEU HB2 62 ASP H 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 993, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 LEU HB2 63 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1005, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 61 LEU HB2 73 TRP HH2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1170, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 61 LEU HB3 61 LEU QD1 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 983, 984, 985,
 &end
#
# 61 LEU HB3 61 LEU QD2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 987, 988, 989,
 &end
#
# 61 LEU HB3 62 ASP H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat= 979, 993, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 61 LEU HB3 62 ASP QB 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 997, 998,
 &end
#
# 61 LEU HG 64 PHE HB2 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1020, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 61 LEU HG 73 TRP HH2 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1170, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 61 LEU HG 73 TRP HZ3 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1172, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 61 LEU QD1 64 PHE HB2 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 983, 984, 985,
 &end
#
# 61 LEU QD1 70 PHE QE 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 983, 984, 985,
 igr2=1110,1114,
 &end
#
# 61 LEU QD1 73 TRP HZ3 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 983, 984, 985,
 &end
#
# 61 LEU QD2 62 ASP H 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 987, 988, 989,
 &end
#
# 61 LEU QD2 62 ASP HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 987, 988, 989,
 &end
#
# 61 LEU QD2 64 PHE H 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 987, 988, 989,
 &end
#
# 61 LEU QD2 64 PHE HB3 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 987, 988, 989,
 &end
#
# 61 LEU QD2 70 PHE QE 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 987, 988, 989,
 igr2=1110,1114,
 &end
#
# 61 LEU QQD 64 PHE QD 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2=1024,1032,
 &end
#
# 61 LEU QQD 64 PHE QE 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2=1026,1030,
 &end
#
# 61 LEU QQD 70 PHE HZ 4.17 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
# 61 LEU QQD 70 PHE QD 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2=1108,1116,
 &end
#
# 61 LEU QQD 70 PHE QE 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 983, 984, 985, 987, 988, 989,
 igr2=1110,1114,
 &end
#
# 61 LEU QQD 73 TRP HE3 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
# 61 LEU QQD 73 TRP HH2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
# 61 LEU QQD 73 TRP HZ2 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
# 61 LEU QQD 73 TRP HZ3 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 983, 984, 985, 987, 988, 989,
 &end
#
# 62 ASP H 62 ASP QB 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 997, 998,
 &end
#
# 62 ASP H 63 SER H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 62 ASP HA 62 ASP QB 2.93 
 &rst
  ixpk= 0, nxpk= 0, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 997, 998,
 &end
#
# 62 ASP QB 63 SER H 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1005, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 997, 998,
 &end
#
# 62 ASP QB 63 SER HA 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 997, 998,
 &end
#
# 62 ASP QB 63 SER HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 997, 998,
 &end
#
# 63 SER H 63 SER HB2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1009, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 63 SER H 63 SER HB3 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1010, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 63 SER H 64 PHE H 3.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1005,1016, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 63 SER HA 65 ARG QD 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1046,1047,
 &end
#
# 63 SER HB2 64 PHE H 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1016, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 63 SER HB3 64 PHE H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,1016, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 63 SER HB3 65 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1046,1047,
 &end
#
# 64 PHE H 64 PHE HB2 3.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1020, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 64 PHE H 64 PHE HB3 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1021, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 64 PHE H 64 PHE QD 4.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1024,1032,
 &end
#
# 64 PHE H 65 ARG H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1036, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 64 PHE H 73 TRP HE1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1016,1165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 PHE HA 64 PHE QD 3.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2=1024,1032,
 &end
#
# 64 PHE HA 64 PHE QE 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1030,
 &end
#
# 64 PHE HA 65 ARG H 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1036, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 64 PHE HA 65 ARG HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 PHE HA 66 GLY H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1060, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 64 PHE HA 73 TRP HE1 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1165, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 64 PHE HB2 73 TRP HE1 5.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1165, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 64 PHE HB2 73 TRP HZ2 4.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1168, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 64 PHE HB3 73 TRP HZ2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 PHE HZ 66 GLY H 4.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1060, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 64 PHE HZ 66 GLY HA3 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1063, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 64 PHE HZ 68 SER H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1079, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 64 PHE HZ 69 ALA HA 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1092, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 64 PHE HZ 69 ALA QB 5.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1094,1095,1096,
 &end
#
# 64 PHE HZ 70 PHE H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1100, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 64 PHE HZ 70 PHE HA 3.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1102, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 64 PHE HZ 73 TRP HB3 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1160, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 64 PHE QD 64 PHE HZ 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1028, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 65 ARG H 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 65 ARG HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 66 GLY H 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 66 GLY HA2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1062, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 67 ASP H 5.10 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 68 SER H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 73 TRP HD1 3.59 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1024,1032,
 &end
#
# 64 PHE QD 73 TRP HE1 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1024,1032,
 &end
#
# 64 PHE QE 66 GLY H 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 66 GLY HA2 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1062, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 66 GLY HA3 3.98 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 67 ASP H 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 68 SER H 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 69 ALA HA 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 70 PHE H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 70 PHE HA 3.29 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1026,1030,
 &end
#
# 64 PHE QE 73 TRP HD1 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1026,1030,
 &end
#
# 70 PHE H 70 PHE QD 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1108,1116,
 &end
#
# 70 PHE H 71 TYR H 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1120, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 70 PHE H 71 TYR QE 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1130,1135,
 &end
#
# 70 PHE HA 70 PHE QD 3.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1108,1116,
 &end
#
# 70 PHE HA 70 PHE QE 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1110,1114,
 &end
#
# 70 PHE HA 71 TYR HA 5.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1122, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 70 PHE HA 72 THR H 5.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1141, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 70 PHE HA 73 TRP HE3 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1174, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 70 PHE HZ 73 TRP HE3 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1174, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 70 PHE HZ 73 TRP HZ3 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,1172, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 70 PHE HZ 74 LEU QD1 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1188,1189,1190,
 &end
#
# 70 PHE QD 70 PHE HZ 3.93 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1108,1116,
 &end
#
# 70 PHE QD 71 TYR H 4.49 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1108,1116,
 &end
#
# 70 PHE QD 71 TYR HA 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1108,1116,
 &end
#
# 70 PHE QD 73 TRP HE3 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1108,1116,
 &end
#
# 70 PHE QD 73 TRP HZ3 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1108,1116,
 &end
#
# 70 PHE QD 74 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1108,1116,
 igr2=1192,1193,1194,
 &end
#
# 70 PHE QE 71 TYR H 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1110,1114,
 &end
#
# 70 PHE QE 73 TRP HE3 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1110,1114,
 &end
#
# 70 PHE QE 73 TRP HH2 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1110,1114,
 &end
#
# 70 PHE QE 73 TRP HZ3 3.40 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1=1110,1114,
 &end
#
# 70 PHE QE 74 LEU HA 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1110,1114,
 &end
#
# 70 PHE QE 74 LEU HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1114,
 &end
#
# 71 TYR H 71 TYR HB2 3.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1124, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 71 TYR H 71 TYR HB3 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 71 TYR H 71 TYR QD 3.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1128,1137,
 &end
#
# 71 TYR H 71 TYR QE 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1130,1135,
 &end
#
# 71 TYR H 72 THR H 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1141, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 71 TYR H 72 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 TYR H 73 TRP H 5.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1155, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 71 TYR HA 71 TYR QD 4.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1128,1137,
 &end
#
# 71 TYR HA 73 TRP H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 TYR HA 74 LEU H 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1179, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 71 TYR HA 74 LEU HB2 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1183, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 71 TYR HA 74 LEU HG 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 TYR HA 75 TYR H 4.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,1198, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 71 TYR HA 75 TYR QD 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1206,1215,
 &end
#
# 71 TYR HB2 72 THR H 5.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1124,1141, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 71 TYR HB3 72 THR H 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1141, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 71 TYR HB3 74 LEU HB2 6.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 71 TYR HB3 74 LEU QD2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
# 71 TYR HB3 75 TYR QE 4.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1208,1213,
 &end
#
# 71 TYR QD 72 THR H 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1128,1137,
 &end
#
# 71 TYR QD 72 THR HA 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1128,1137,
 &end
#
# 71 TYR QD 75 TYR H 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1128,1137,
 &end
#
# 71 TYR QD 75 TYR QD 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1128,1137,
 igr2=1206,1215,
 &end
#
# 71 TYR QE 72 THR H 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1130,1135,
 &end
#
# 71 TYR QE 72 THR HA 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1130,1135,
 &end
#
# 71 TYR QE 72 THR HB 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1130,1135,
 &end
#
# 71 TYR QE 72 THR QG2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1130,1135,
 igr2=1147,1148,1149,
 &end
#
# 72 THR H 72 THR HB 3.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 72 THR H 72 THR QG2 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1147,1148,1149,
 &end
#
# 72 THR H 73 TRP H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1155, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 72 THR H 74 LEU H 5.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 72 THR H 75 TYR H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1141,1198, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 72 THR HA 72 THR QG2 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1147,1148,1149,
 &end
#
# 72 THR HA 74 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 THR HA 75 TYR H 4.20 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 72 THR HA 75 TYR HB2 3.84 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1202, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 72 THR HA 75 TYR HB3 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1203, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 72 THR HA 75 TYR QD 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=1206,1215,
 &end
#
# 72 THR HA 76 ARG H 5.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1143,1219, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 72 THR HB 73 TRP H 3.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1155, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 72 THR HB 73 TRP HB3 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1160, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 72 THR HB 74 LEU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1145,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 THR QG2 73 TRP H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1147,1148,1149,
 &end
#
# 72 THR QG2 73 TRP HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1147,1148,1149,
 &end
#
# 72 THR QG2 73 TRP HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1147,1148,1149,
 &end
#
# 72 THR QG2 75 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1147,1148,1149,
 &end
#
# 72 THR QG2 76 ARG H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1147,1148,1149,
 &end
#
# 72 THR QG2 76 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1147,1148,1149,
 &end
#
# 72 THR QG2 76 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1147,1148,1149,
 igr2=1229,1230,
 &end
#
# 73 TRP H 73 TRP HB2 3.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 73 TRP H 73 TRP HE3 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1174, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 73 TRP H 74 LEU H 3.62 
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1179, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 73 TRP H 74 LEU HB3 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1184, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 73 TRP H 75 TYR H 4.93 
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1198, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 73 TRP HA 73 TRP HD1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1163, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 73 TRP HA 74 LEU HA 5.01 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1181, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 73 TRP HA 76 ARG HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,1224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 TRP HA 76 ARG QG 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1226,1227,
 &end
#
# 73 TRP HB2 74 LEU H 4.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1179, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 73 TRP HB3 73 TRP HZ3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 TRP HB3 74 LEU H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1179, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 73 TRP HD1 77 ILE QD1 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1256,1257,1258,
 &end
#
# 73 TRP HE1 77 ILE QD1 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1165,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1256,1257,1258,
 &end
#
# 73 TRP HE3 74 LEU H 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1179, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 73 TRP HE3 74 LEU HA 4.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1181, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 73 TRP HE3 74 LEU HB2 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 73 TRP HE3 74 LEU HB3 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1174,1184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 73 TRP HH2 74 LEU QD1 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1188,1189,1190,
 &end
#
# 73 TRP HH2 77 ILE HG12 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1170,1253, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 73 TRP HH2 77 ILE QD1 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1256,1257,1258,
 &end
#
# 73 TRP HZ2 77 ILE QD1 3.56 
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1256,1257,1258,
 &end
#
# 73 TRP HZ3 74 LEU HA 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1181, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 73 TRP HZ3 74 LEU QD1 3.77 
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1188,1189,1190,
 &end
#
# 73 TRP HZ3 77 ILE QD1 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1256,1257,1258,
 &end
#
# 74 LEU H 74 LEU HB2 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1183, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 74 LEU H 74 LEU HB3 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1184, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 74 LEU H 74 LEU HG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 LEU H 74 LEU QD1 4.98 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1188,1189,1190,
 &end
#
# 74 LEU H 74 LEU QD2 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1192,1193,1194,
 &end
#
# 74 LEU H 75 TYR H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1198, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 74 LEU H 76 ARG H 4.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1219, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 74 LEU H 77 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1256,1257,1258,
 &end
#
# 74 LEU HA 74 LEU QD1 3.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1188,1189,1190,
 &end
#
# 74 LEU HA 74 LEU QD2 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1192,1193,1194,
 &end
#
# 74 LEU HA 77 ILE H 4.29 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1243, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 74 LEU HA 77 ILE HB 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1247, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 74 LEU HA 77 ILE HG12 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 LEU HA 77 ILE QD1 4.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1256,1257,1258,
 &end
#
# 74 LEU HA 77 ILE QG2 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1249,1250,1251,
 &end
#
# 74 LEU HA 78 ALA H 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 74 LEU HA 78 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1266,1267,1268,
 &end
#
# 74 LEU HB2 74 LEU QD1 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1188,1189,1190,
 &end
#
# 74 LEU HB2 74 LEU QD2 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1192,1193,1194,
 &end
#
# 74 LEU HB2 75 TYR H 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1198, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 74 LEU HB3 75 TYR H 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 74 LEU HG 75 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 74 LEU HG 75 TYR QD 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1206,1215,
 &end
#
# 74 LEU QD1 75 TYR HA 5.19 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1188,1189,1190,
 &end
#
# 74 LEU QD1 76 ARG H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1188,1189,1190,
 &end
#
# 74 LEU QD1 77 ILE H 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1188,1189,1190,
 &end
#
# 74 LEU QD1 77 ILE HB 4.02 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1247, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1188,1189,1190,
 &end
#
# 74 LEU QD1 77 ILE QD1 4.81 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1188,1189,1190,
 igr2=1256,1257,1258,
 &end
#
# 74 LEU QD1 78 ALA H 5.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1188,1189,1190,
 &end
#
# 74 LEU QD1 78 ALA QB 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1188,1189,1190,
 igr2=1266,1267,1268,
 &end
#
# 74 LEU QD2 75 TYR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1192,1193,1194,
 &end
#
# 74 LEU QD2 75 TYR QE 3.89 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1192,1193,1194,
 igr2=1208,1213,
 &end
#
# 75 TYR H 75 TYR HB2 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 75 TYR H 75 TYR HB3 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1203, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 75 TYR H 75 TYR QD 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1206,1215,
 &end
#
# 75 TYR H 75 TYR QE 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1208,1213,
 &end
#
# 75 TYR H 76 ARG H 3.69 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1219, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 75 TYR H 76 ARG QG 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1226,1227,
 &end
#
# 75 TYR H 77 ILE H 5.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1198,1243, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
# 75 TYR HA 75 TYR QD 2.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
 igr2=1206,1215,
 &end
#
# 75 TYR HA 77 ILE H 5.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1243, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 75 TYR HA 78 ALA H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1262, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 75 TYR HA 78 ALA QB 3.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1266,1267,1268,
 &end
#
# 75 TYR HB2 76 ARG H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1219, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 75 TYR HB3 76 ARG H 4.11 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1219, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 75 TYR HB3 77 ILE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1203,1243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 75 TYR QD 76 ARG H 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1206,1215,
 &end
#
# 75 TYR QD 78 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1206,1215,
 &end
#
# 75 TYR QD 78 ALA QB 4.88 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=1206,1215,
 igr2=1266,1267,1268,
 &end
#
# 76 ARG H 76 ARG QD 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1229,1230,
 &end
#
# 76 ARG H 76 ARG QG 3.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1226,1227,
 &end
#
# 76 ARG H 77 ILE H 3.71 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1243, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 76 ARG H 77 ILE HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1247, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ARG H 77 ILE QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1256,1257,1258,
 &end
#
# 76 ARG H 78 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ARG HA 76 ARG QD 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1229,1230,
 &end
#
# 76 ARG HA 76 ARG QG 3.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1226,1227,
 &end
#
# 76 ARG HA 77 ILE HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1245, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 76 ARG HA 79 VAL H 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 76 ARG HA 79 VAL QG1 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1278,1279,1280,
 &end
#
# 76 ARG HA 79 VAL QG2 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1282,1283,1284,
 &end
#
# 76 ARG HA 80 ASN H 4.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1288, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 76 ARG HA 80 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ARG HB2 76 ARG QD 3.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1229,1230,
 &end
#
# 76 ARG HB2 80 ASN HD21 5.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1298, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 76 ARG HB2 80 ASN HD22 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1297, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 76 ARG HB3 76 ARG QD 3.34 
 &rst
  ixpk= 0, nxpk= 0, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1229,1230,
 &end
#
# 76 ARG HB3 77 ILE H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 ARG HB3 80 ASN HD21 5.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1298, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 76 ARG HB3 80 ASN HD22 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1224,1297, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 76 ARG QD 80 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1229,1230,
 &end
#
# 76 ARG QD 80 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1229,1230,
 &end
#
# 76 ARG QG 77 ILE H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1226,1227,
 &end
#
# 76 ARG QG 77 ILE HG12 5.44 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1253, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1226,1227,
 &end
#
# 76 ARG QG 77 ILE QD1 4.90 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1226,1227,
 igr2=1256,1257,1258,
 &end
#
# 77 ILE H 77 ILE HB 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1247, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 77 ILE H 77 ILE HG12 3.74 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1253, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 77 ILE H 77 ILE HG13 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1254, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 77 ILE H 77 ILE QD1 4.33 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1256,1257,1258,
 &end
#
# 77 ILE H 77 ILE QG2 4.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1249,1250,1251,
 &end
#
# 77 ILE H 78 ALA H 3.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 77 ILE H 78 ALA QB 5.04 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1266,1267,1268,
 &end
#
# 77 ILE H 79 VAL H 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1272, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 77 ILE HA 77 ILE HG12 3.83 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1253, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 77 ILE HA 77 ILE HG13 3.82 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1254, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 77 ILE HA 77 ILE QD1 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1256,1257,1258,
 &end
#
# 77 ILE HA 77 ILE QG2 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1249,1250,1251,
 &end
#
# 77 ILE HA 78 ALA HA 4.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1264, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 77 ILE HA 79 VAL H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1272, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 77 ILE HA 80 ASN H 4.60 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1288, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 77 ILE HA 80 ASN HB2 3.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1292, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 77 ILE HA 80 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 ILE HA 81 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 77 ILE HB 77 ILE QD1 3.57 
 &rst
  ixpk= 0, nxpk= 0, iat=1247,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1256,1257,1258,
 &end
#
# 77 ILE HB 78 ALA H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1247,1262, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 77 ILE HG12 78 ALA H 5.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1253,1262, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 77 ILE HG12 78 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1253,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1266,1267,1268,
 &end
#
# 77 ILE HG13 78 ALA H 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1262, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 77 ILE QD1 78 ALA H 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1=1256,1257,1258,
 &end
#
# 77 ILE QG2 77 ILE QD1 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1249,1250,1251,
 igr2=1256,1257,1258,
 &end
#
# 77 ILE QG2 78 ALA H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1249,1250,1251,
 &end
#
# 77 ILE QG2 78 ALA HA 4.69 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1249,1250,1251,
 &end
#
# 77 ILE QG2 80 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1249,1250,1251,
 &end
#
# 77 ILE QG2 81 THR H 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1249,1250,1251,
 &end
#
# 77 ILE QG2 81 THR HB 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=1249,1250,1251,
 &end
#
# 77 ILE QG2 81 THR QG2 5.15 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=1249,1250,1251,
 igr2=1308,1309,1310,
 &end
#
# 78 ALA H 78 ALA QB 3.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1266,1267,1268,
 &end
#
# 78 ALA H 79 VAL H 3.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1272, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 78 ALA H 79 VAL HA 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1274, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 78 ALA H 79 VAL HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 78 ALA H 79 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1278,1279,1280,
 &end
#
# 78 ALA H 80 ASN H 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1288, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 78 ALA H 81 THR HB 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1306, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 78 ALA HA 81 THR H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 78 ALA HA 81 THR HB 3.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1306, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 78 ALA HA 81 THR QG2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1308,1309,1310,
 &end
#
# 78 ALA HA 82 ALA H 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1316, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 78 ALA HA 82 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1320,1321,1322,
 &end
#
# 78 ALA QB 79 VAL H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1266,1267,1268,
 &end
#
# 78 ALA QB 79 VAL HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1266,1267,1268,
 &end
#
# 78 ALA QB 79 VAL HB 5.25 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1266,1267,1268,
 &end
#
# 78 ALA QB 80 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266,1267,1268,
 &end
#
# 78 ALA QB 81 THR HB 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1266,1267,1268,
 &end
#
# 78 ALA QB 82 ALA QB 4.57 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1266,1267,1268,
 igr2=1320,1321,1322,
 &end
#
# 79 VAL H 79 VAL HB 3.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 79 VAL H 79 VAL QG1 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1278,1279,1280,
 &end
#
# 79 VAL H 79 VAL QG2 4.05 
 &rst
  ixpk= 0, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1282,1283,1284,
 &end
#
# 79 VAL H 80 ASN H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1288, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 79 VAL H 81 THR HB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL HA 79 VAL QG1 3.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1278,1279,1280,
 &end
#
# 79 VAL HA 79 VAL QG2 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1282,1283,1284,
 &end
#
# 79 VAL HA 81 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1302, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 VAL HA 82 ALA H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1316, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 79 VAL HA 82 ALA QB 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1320,1321,1322,
 &end
#
# 79 VAL HA 83 LYS H 5.28 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1326, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 79 VAL HA 83 LYS QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1336,1337,
 &end
#
# 79 VAL HB 80 ASN H 4.09 
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1288, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 79 VAL QG1 80 ASN H 4.77 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1278,1279,1280,
 &end
#
# 79 VAL QG1 80 ASN HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1278,1279,1280,
 &end
#
# 79 VAL QG1 80 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1278,1279,1280,
 &end
#
# 79 VAL QG1 83 LYS HE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1278,1279,1280,
 &end
#
# 79 VAL QG1 83 LYS QD 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1278,1279,1280,
 igr2=1336,1337,
 &end
#
# 79 VAL QG2 80 ASN H 4.56 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 80 ASN HA 4.72 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 80 ASN HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 81 THR H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 83 LYS H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 83 LYS HE2 4.24 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 83 LYS HE3 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1340, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 83 LYS HG2 5.30 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 83 LYS HG3 5.42 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1282,1283,1284,
 &end
#
# 79 VAL QG2 83 LYS QD 4.12 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1282,1283,1284,
 igr2=1336,1337,
 &end
#
# 80 ASN H 80 ASN HB2 3.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1292, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 80 ASN H 80 ASN HD21 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1298, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 80 ASN H 80 ASN HD22 4.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1297, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 80 ASN H 81 THR H 3.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1288,1302, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 80 ASN H 83 LYS QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1336,1337,
 &end
#
# 80 ASN HA 80 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASN HA 80 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASN HA 81 THR HA 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1304, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 80 ASN HA 83 LYS HE2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASN HA 83 LYS HE3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASN HA 83 LYS QD 4.53 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1336,1337,
 &end
#
# 80 ASN HB2 81 THR H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1302, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 80 ASN HB2 82 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASN HB3 81 THR HA 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1304, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 80 ASN HB3 83 LYS HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1293,1330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 80 ASN HB3 83 LYS QD 5.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1336,1337,
 &end
#
# 81 THR H 81 THR HB 3.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1306, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 81 THR H 81 THR QG2 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1308,1309,1310,
 &end
#
# 81 THR H 82 ALA QB 5.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2=1320,1321,1322,
 &end
#
# 81 THR HA 81 THR QG2 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1308,1309,1310,
 &end
#
# 81 THR HA 84 ASN H 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1348, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 81 THR HA 84 ASN HD21 5.02 
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1358, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 81 THR HA 84 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1304,1357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 81 THR HA 84 ASN QB 3.67 
 &rst
  ixpk= 0, nxpk= 0, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1352,1353,
 &end
#
# 81 THR HB 82 ALA H 3.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 81 THR HB 82 ALA HA 4.68 
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1318, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 81 THR HB 82 ALA QB 5.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1320,1321,1322,
 &end
#
# 81 THR QG2 82 ALA H 4.28 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1308,1309,1310,
 &end
#
# 81 THR QG2 82 ALA HA 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1308,1309,1310,
 &end
#
# 81 THR QG2 84 ASN QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr1=1308,1309,1310,
 igr2=1352,1353,
 &end
#
# 81 THR QG2 85 TYR HB3 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1308,1309,1310,
 &end
#
# 81 THR QG2 85 TYR QD 4.66 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1308,1309,1310,
 igr2=1370,1379,
 &end
#
# 81 THR QG2 85 TYR QE 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1308,1309,1310,
 igr2=1372,1377,
 &end
#
# 82 ALA H 82 ALA QB 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1320,1321,1322,
 &end
#
# 82 ALA H 83 LYS H 3.43 
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1326, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 82 ALA H 84 ASN H 4.46 
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1348, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 82 ALA H 85 TYR H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1362, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 82 ALA HA 85 TYR H 4.13 
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1362, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 82 ALA HA 85 TYR HB3 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1367, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 82 ALA HA 85 TYR QD 4.22 
 &rst
  ixpk= 0, nxpk= 0, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1370,1379,
 &end
#
# 82 ALA HA 86 LEU H 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1383, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 82 ALA QB 83 LYS H 3.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1326, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1320,1321,1322,
 &end
#
# 82 ALA QB 83 LYS HB3 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=1320,1321,1322,
 &end
#
# 82 ALA QB 83 LYS HG3 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1320,1321,1322,
 &end
#
# 82 ALA QB 84 ASN H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1320,1321,1322,
 &end
#
# 82 ALA QB 85 TYR QD 4.87 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=1320,1321,1322,
 igr2=1370,1379,
 &end
#
# 82 ALA QB 86 LEU QD1 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
 igr1=1320,1321,1322,
 igr2=1392,1393,1394,
 &end
#
# 83 LYS H 83 LYS HB2 3.55 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 83 LYS H 83 LYS HB3 4.19 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1331, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 83 LYS H 83 LYS HG2 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1333, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 83 LYS H 83 LYS HG3 4.36 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1334, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 83 LYS H 83 LYS QD 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1336,1337,
 &end
#
# 83 LYS H 84 ASN H 3.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1348, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 83 LYS HB2 83 LYS QD 3.54 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1336,1337,
 &end
#
# 83 LYS HB2 84 ASN H 4.10 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,1348, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 83 LYS HB2 84 ASN QB 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1352,1353,
 &end
#
# 83 LYS HB3 84 ASN QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1352,1353,
 &end
#
# 84 ASN H 84 ASN QB 3.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1352,1353,
 &end
#
# 84 ASN HA 84 ASN HD21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 ASN HA 84 ASN HD22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1357, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 ASN HA 87 VAL H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1402, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 84 ASN HA 87 VAL QG1 4.25 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1408,1409,1410,
 &end
#
# 84 ASN HA 87 VAL QG2 4.48 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1412,1413,1414,
 &end
#
# 84 ASN HA 88 ALA H 5.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1418, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 84 ASN HD21 85 TYR HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 84 ASN QB 84 ASN HD21 3.73 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1352,1353,
 &end
#
# 84 ASN QB 84 ASN HD22 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1352,1353,
 &end
#
# 84 ASN QB 85 TYR H 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1352,1353,
 &end
#
# 84 ASN QB 87 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1352,1353,
 igr2=1408,1409,1410,
 &end
#
# 84 ASN QB 87 VAL QG2 5.48 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1=1352,1353,
 igr2=1412,1413,1414,
 &end
#
# 85 TYR H 85 TYR HB2 3.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1366, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 85 TYR H 85 TYR QD 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1370,1379,
 &end
#
# 85 TYR H 86 LEU HA 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1385, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 85 TYR H 86 LEU HB2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 85 TYR HA 85 TYR QD 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1370,1379,
 &end
#
# 85 TYR HA 88 ALA QB 4.27 
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1422,1423,1424,
 &end
#
# 85 TYR HB2 86 LEU H 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1383, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 85 TYR HB3 86 LEU HB3 5.65 
 &rst
  ixpk= 0, nxpk= 0, iat=1367,1388, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 85 TYR QD 86 LEU H 3.70 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1370,1379,
 &end
#
# 85 TYR QD 86 LEU HA 3.85 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1370,1379,
 &end
#
# 85 TYR QD 86 LEU HG 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1370,1379,
 &end
#
# 85 TYR QD 86 LEU QD1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1370,1379,
 igr2=1392,1393,1394,
 &end
#
# 85 TYR QD 86 LEU QD2 4.82 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1370,1379,
 igr2=1396,1397,1398,
 &end
#
# 85 TYR QD 88 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1370,1379,
 igr2=1422,1423,1424,
 &end
#
# 85 TYR QD 89 GLN HE21 3.32 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1=1370,1379,
 &end
#
# 85 TYR QE 86 LEU QD2 5.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=1372,1377,
 igr2=1396,1397,1398,
 &end
#
# 85 TYR QE 88 ALA QB 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1372,1377,
 igr2=1422,1423,1424,
 &end
#
# 85 TYR QE 89 GLN QG 4.91 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1372,1377,
 igr2=1435,1436,
 &end
#
# 86 LEU H 86 LEU HB2 3.39 
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1387, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 86 LEU H 86 LEU HB3 4.14 
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 86 LEU H 86 LEU HG 4.58 
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1390, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 86 LEU H 86 LEU QD1 4.86 
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1392,1393,1394,
 &end
#
# 86 LEU H 86 LEU QD2 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1396,1397,1398,
 &end
#
# 86 LEU H 88 ALA H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1383,1418, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 86 LEU HA 86 LEU QD1 4.97 
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1392,1393,1394,
 &end
#
# 86 LEU HA 86 LEU QD2 3.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1396,1397,1398,
 &end
#
# 86 LEU HA 87 VAL QG1 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1408,1409,1410,
 &end
#
# 86 LEU HB2 87 VAL H 4.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 LEU HB2 87 VAL HA 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=1387,1404, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
# 86 LEU HB2 87 VAL QG1 4.96 
 &rst
  ixpk= 0, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1408,1409,1410,
 &end
#
# 86 LEU HB3 86 LEU QD1 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1392,1393,1394,
 &end
#
# 86 LEU HB3 86 LEU QD2 3.94 
 &rst
  ixpk= 0, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1396,1397,1398,
 &end
#
# 86 LEU HB3 87 VAL H 5.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1402, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 86 LEU HB3 88 ALA H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 LEU QD2 89 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1396,1397,1398,
 &end
#
# 86 LEU QD2 89 GLN QG 5.37 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=1396,1397,1398,
 igr2=1435,1436,
 &end
#
# 87 VAL H 87 VAL HB 3.88 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1406, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 87 VAL H 87 VAL QG1 3.92 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1408,1409,1410,
 &end
#
# 87 VAL H 88 ALA H 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1418, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 87 VAL H 90 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 VAL HA 87 VAL QG1 3.72 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1408,1409,1410,
 &end
#
# 87 VAL HA 87 VAL QG2 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1412,1413,1414,
 &end
#
# 87 VAL HA 90 GLY QA 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1447,1448,
 &end
#
# 87 VAL HA 91 ARG QD 4.89 
 &rst
  ixpk= 0, nxpk= 0, iat=1404,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1462,1463,
 &end
#
# 87 VAL HB 88 ALA H 4.03 
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1418, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 87 VAL HB 88 ALA HA 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 VAL HB 91 ARG HG2 5.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1406,1459, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 VAL QG1 88 ALA H 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1408,1409,1410,
 &end
#
# 87 VAL QG1 90 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1408,1409,1410,
 &end
#
# 87 VAL QG1 91 ARG QB 5.34 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1408,1409,1410,
 igr2=1456,1457,
 &end
#
# 87 VAL QG1 91 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1408,1409,1410,
 igr2=1462,1463,
 &end
#
# 87 VAL QG2 88 ALA H 4.45 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1412,1413,1414,
 &end
#
# 87 VAL QG2 88 ALA HA 5.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=1412,1413,1414,
 &end
#
# 87 VAL QG2 90 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1412,1413,1414,
 &end
#
# 87 VAL QG2 91 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1412,1413,1414,
 igr2=1462,1463,
 &end
#
# 88 ALA H 88 ALA QB 3.35 
 &rst
  ixpk= 0, nxpk= 0, iat=1418,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1422,1423,1424,
 &end
#
# 88 ALA HA 91 ARG HA 6.30 
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1454, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 88 ALA QB 89 GLN H 4.76 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1422,1423,1424,
 &end
#
# 88 ALA QB 89 GLN HB3 5.20 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=1422,1423,1424,
 &end
#
# 88 ALA QB 89 GLN HE21 5.80 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1422,1423,1424,
 &end
#
# 88 ALA QB 89 GLN HE22 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1422,1423,1424,
 &end
#
# 88 ALA QB 89 GLN QG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1422,1423,1424,
 igr2=1435,1436,
 &end
#
# 88 ALA QB 90 GLY H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1445, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1422,1423,1424,
 &end
#
# 89 GLN HA 89 GLN HE21 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 89 GLN HA 89 GLN QG 4.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1435,1436,
 &end
#
# 89 GLN HA 90 GLY QA 4.38 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1447,1448,
 &end
#
# 89 GLN HB2 90 GLY H 4.37 
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1445, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 89 GLN HB2 90 GLY QA 5.21 
 &rst
  ixpk= 0, nxpk= 0, iat=1432,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1447,1448,
 &end
#
# 89 GLN HB3 90 GLY QA 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1447,1448,
 &end
#
# 89 GLN QG 89 GLN HE21 4.07 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1435,1436,
 &end
#
# 90 GLY H 91 ARG H 3.49 
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1452, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 90 GLY QA 91 ARG HA 4.31 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1447,1448,
 &end
#
# 90 GLY QA 91 ARG HG2 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1459, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1447,1448,
 &end
#
# 91 ARG H 91 ARG HG2 3.75 
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1459, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 91 ARG H 91 ARG QB 4.06 
 &rst
  ixpk= 0, nxpk= 0, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1456,1457,
 &end
#
# 91 ARG H 91 ARG QD 5.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1462,1463,
 &end
#
# 91 ARG H 92 ARG H 4.15 
 &rst
  ixpk= 0, nxpk= 0, iat=1452,1476, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 91 ARG HA 91 ARG HG2 3.95 
 &rst
  ixpk= 0, nxpk= 0, iat=1454,1459, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 91 ARG HA 91 ARG QD 4.44 
 &rst
  ixpk= 0, nxpk= 0, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1462,1463,
 &end
#
# 91 ARG HA 94 GLU HB3 4.40 
 &rst
  ixpk= 0, nxpk= 0, iat=1454,1524, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 91 ARG HA 94 GLU QG 4.61 
 &rst
  ixpk= 0, nxpk= 0, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1526,1527,
 &end
#
# 91 ARG QB 93 LEU H 5.39 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1500, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1456,1457,
 &end
#
# 92 ARG H 92 ARG HB3 4.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1481, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 92 ARG H 92 ARG HG2 5.32 
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1483, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 92 ARG H 92 ARG HG3 4.99 
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1484, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 92 ARG H 92 ARG QD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1486,1487,
 &end
#
# 92 ARG H 93 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1509,1510,1511,1513,1514,1515,
 &end
#
# 92 ARG H 94 GLU H 4.51 
 &rst
  ixpk= 0, nxpk= 0, iat=1476,1519, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 92 ARG HA 92 ARG QD 5.47 
 &rst
  ixpk= 0, nxpk= 0, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2=1486,1487,
 &end
#
# 92 ARG HB3 92 ARG HG2 2.91 
 &rst
  ixpk= 0, nxpk= 0, iat=1481,1483, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 92 ARG HB3 93 LEU QB 4.41 
 &rst
  ixpk= 0, nxpk= 0, iat=1481,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1504,1505,
 &end
#
# 92 ARG HG3 93 LEU H 5.08 
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1500, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 93 LEU H 93 LEU QQD 5.18 
 &rst
  ixpk= 0, nxpk= 0, iat=1500,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr2=1509,1510,1511,1513,1514,1515,
 &end
#
# 93 LEU HA 93 LEU QQD 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1509,1510,1511,1513,1514,1515,
 &end
#
# 93 LEU QQD 94 GLU H 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1509,1510,1511,1513,1514,1515,
 &end
#
# 94 GLU H 94 GLU HG2 5.23 
 &rst
  ixpk= 0, nxpk= 0, iat=1519,1526, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
# 94 GLU H 95 LEU H 4.26 
 &rst
  ixpk= 0, nxpk= 0, iat=1519,1534, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 94 GLU HB2 94 GLU QG 2.79 
 &rst
  ixpk= 0, nxpk= 0, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2=1526,1527,
 &end
#
# 95 LEU H 96 VAL H 3.52 
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1553, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 95 LEU H 96 VAL QQG 5.50 
 &rst
  ixpk= 0, nxpk= 0, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1559,1560,1561,1563,1564,1565,
 &end
#
# 96 VAL H 96 VAL HB 3.64 
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1557, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 96 VAL H 96 VAL QQG 3.90 
 &rst
  ixpk= 0, nxpk= 0, iat=1553,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1559,1560,1561,1563,1564,1565,
 &end
#
# 6 THR O 10 LEU H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 142, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=20, rk3=20, ir6=1, ialtd=0,
 &end
#
# 6 THR O 10 LEU N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 141, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 7 ASP O 11 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 161, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 7 ASP O 11 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 160, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 8 GLN O 12 GLU H 1.8 2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 177, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 8 GLN O 12 GLU N 2.4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 176, r1= 1.90, r2= 2.40, r3= 3.50, r4= 4.00,  &end
#
# 9 VAL O 13 ARG H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 192, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 9 VAL O 13 ARG N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 191, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 10 LEU O 14 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 216, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 10 LEU O 14 VAL H 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 216, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 11 VAL O 15 GLN H 1.8 2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 232, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 11 VAL O 15 GLN N 2.4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 231, r1= 1.90, r2= 2.40, r3= 3.50, r4= 4.00,  &end
#
# 12 GLU O 16 LYS H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 249, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 12 GLU O 16 LYS N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 248, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 19 GLN O 23 ASN H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 359, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 19 GLN O 23 ASN N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 358, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 20 LYS O 24 LEU H 1.8 2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 373, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 20 LYS O 24 LEU N 2.4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 372, r1= 1.90, r2= 2.40, r3= 3.50, r4= 4.00,  &end
#
# 21 ALA O 25 LEU H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 392, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 21 ALA O 25 LEU N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 391, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 22 PHE O 26 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 411, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 22 PHE O 26 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 410, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 23 ASN O 27 VAL H 1.8 2.55
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 427, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 23 ASN O 27 VAL N 2.4 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 426, r1= 1.90, r2= 2.40, r3= 3.55, r4= 4.05,  &end
#
# 24 LEU O 28 ARG H 1.8 3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 443, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 24 LEU O 28 ARG N 2.4 4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 442, r1= 1.90, r2= 2.40, r3= 4.20, r4= 4.70,  &end
#
# 25 LEU O 29 TYR H 1.8 2.65
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 467, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 25 LEU O 29 TYR N 2.4 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 466, r1= 1.90, r2= 2.40, r3= 3.65, r4= 4.15,  &end
#
# 26 VAL O 30 GLN H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 488, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 26 VAL O 30 GLN N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 487, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 27 VAL O 31 HIS H 1.8 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 505, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 27 VAL O 31 HIS N 2.4 4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 504, r1= 1.90, r2= 2.40, r3= 4.30, r4= 4.80,  &end
#
# 28 ARG O 32 LYS H 1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 28 ARG O 32 LYS N 2.4 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 521, r1= 1.90, r2= 2.40, r3= 4.50, r4= 5.00,  &end
#
# 29 TYR O 33 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 544, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 29 TYR O 33 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 543, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 30 GLN O 34 ALA H 1.8 2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 560, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 30 GLN O 34 ALA N 2.4 3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 559, r1= 1.90, r2= 2.40, r3= 3.70, r4= 4.20,  &end
#
# 31 HIS O 35 SER H 1.8 2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 570, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 31 HIS O 35 SER N 2.4 3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 569, r1= 1.90, r2= 2.40, r3= 3.70, r4= 4.20,  &end
#
# 32 LYS O 36 LEU H 1.8 2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 581, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 32 LYS O 36 LEU N 2.4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 580, r1= 1.90, r2= 2.40, r3= 3.50, r4= 4.00,  &end
#
# 33 VAL O 37 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 600, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 33 VAL O 37 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 599, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 34 ALA O 38 SER H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 616, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 34 ALA O 38 SER N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 615, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 35 SER O 39 ARG H 1.8 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35 SER O 39 ARG N 2.4 4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 626, r1= 1.90, r2= 2.40, r3= 4.50, r4= 5.00,  &end
#
# 45 ASP O 49 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 774, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 45 ASP O 49 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 773, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 46 VAL O 50 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 790, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 46 VAL O 50 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 789, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 47 PRO O 51 GLN H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 806, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 47 PRO O 51 GLN N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 805, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 48 ASP O 52 GLU H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 823, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 48 ASP O 52 GLU N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 822, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 49 VAL O 53 ALA H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 838, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 49 VAL O 53 ALA N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 837, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 50 VAL O 54 PHE H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 848, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 50 VAL O 54 PHE N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 847, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 51 GLN O 55 ILE H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 868, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 51 GLN O 55 ILE N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 867, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 52 GLU O 56 LYS H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 887, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 52 GLU O 56 LYS N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 886, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 53 ALA O 57 ALA H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 909, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 53 ALA O 57 ALA N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 908, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 54 PHE O 58 TYR H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 919, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 54 PHE O 58 TYR N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 866, 918, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 55 ILE O 59 ARG H 1.8 2.6
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 940, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 55 ILE O 59 ARG N 2.4 3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 939, r1= 1.90, r2= 2.40, r3= 3.60, r4= 4.10,  &end
#
# 56 LYS O 60 ALA H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 964, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 56 LYS O 60 ALA N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 963, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 57 ALA O 61 LEU H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 974, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 57 ALA O 61 LEU N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 973, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 58 TYR O 62 ASP H 1.8 2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 993, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 58 TYR O 62 ASP N 2.4 3.8
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 992, r1= 1.90, r2= 2.40, r3= 3.80, r4= 4.30,  &end
#
# 70 PHE O 74 LEU H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1179, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 70 PHE O 74 LEU N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1178, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 71 TYR O 75 TYR H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1198, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 71 TYR O 75 TYR N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1197, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 72 THR O 76 ARG H 1.8 2.55
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1219, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 72 THR O 76 ARG N 2.4 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1218, r1= 1.90, r2= 2.40, r3= 3.55, r4= 4.05,  &end
#
# 73 TRP O 77 ILE H 1.8 3.0
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 73 TRP O 77 ILE N 2.4 4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1242, r1= 1.90, r2= 2.40, r3= 4.00, r4= 4.50,  &end
#
# 74 LEU O 78 ALA H 1.8 2.5
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1262, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 74 LEU O 78 ALA N 2.4 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1261, r1= 1.90, r2= 2.40, r3= 3.50, r4= 4.00,  &end
#
# 75 TYR O 79 VAL H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1272, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 75 TYR O 79 VAL N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1271, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 76 ARG O 80 ASN H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1288, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 76 ARG O 80 ASN N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1287, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 77 ILE O 81 THR H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1302, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 77 ILE O 81 THR N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1301, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 78 ALA O 82 ALA H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1316, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 78 ALA O 82 ALA N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1270,1315, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 79 VAL O 83 LYS H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1286,1326, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 79 VAL O 83 LYS N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1286,1325, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 80 ASN O 84 ASN H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1348, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 80 ASN O 84 ASN N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1347, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 81 THR O 85 TYR H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1362, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 81 THR O 85 TYR N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1361, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 82 ALA O 86 LEU H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1383, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 82 ALA O 86 LEU N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1382, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 83 LYS O 87 VAL H 1.8 2.6
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1402, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 83 LYS O 87 VAL N 2.4 3.6
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1401, r1= 1.90, r2= 2.40, r3= 3.60, r4= 4.10,  &end
#
# 84 ASN O 88 ALA H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1418, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 84 ASN O 88 ALA N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1417, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 85 TYR O 89 GLN H 1.8 2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1428, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 85 TYR O 89 GLN N 2.4 3.9
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1427, r1= 1.90, r2= 2.40, r3= 3.90, r4= 4.40,  &end
#
# 86 LEU O 90 GLY H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1445, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 86 LEU O 90 GLY N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1444, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 87 VAL O 91 ARG H 1.8 2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1416,1452, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 87 VAL O 91 ARG N 2.4 3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1416,1451, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
# 1726 atoms read from pdb file amber_cycle001.pdb.
# 5 LEU PHI:  (4 GLN C)-(5 LEU N)-(5 LEU CA)-(5 LEU C) -180.0   0.0
 &rst     iat =    61,    63,    65,    80,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
   rk2 =   400, rk3 =   400,    &end

# 6 THR PHI:  (5 LEU C)-(6 THR N)-(6 THR CA)-(6 THR C) -139.9 -50.9
 &rst     iat =    80,    82,    84,    94,
   r1 = -140.9, r2 = -139.9, r3 = -50.9, r4 = -49.9,
 &end

# 6 THR PSI:  (6 THR N)-(6 THR CA)-(6 THR C)-(7 ASP N) 145.6 185.6
 &rst     iat =    82,    84,    94,    96,
   r1 = 144.6, r2 = 145.6, r3 = 185.6, r4 = 186.6,
 &end

# 7 ASP PHI:  (6 THR C)-(7 ASP N)-(7 ASP CA)-(7 ASP C) -77.4 -37.4
 &rst     iat =    94,    96,    98,   106,
   r1 = -78.4, r2 = -77.4, r3 = -37.4, r4 = -36.4,
 &end

# 7 ASP PSI:  (7 ASP N)-(7 ASP CA)-(7 ASP C)-(8 GLN N) -58.1 -17.1
 &rst     iat =    96,    98,   106,   108,
   r1 = -59.1, r2 = -58.1, r3 = -17.1, r4 = -16.1,
 &end

# 8 GLN PHI:  (7 ASP C)-(8 GLN N)-(8 GLN CA)-(8 GLN C) -84.1 -44.1
 &rst     iat =   106,   108,   110,   123,
   r1 = -85.1, r2 = -84.1, r3 = -44.1, r4 = -43.1,
 &end

# 8 GLN PSI:  (8 GLN N)-(8 GLN CA)-(8 GLN C)-(9 VAL N) -56.8 -14.8
 &rst     iat =   108,   110,   123,   125,
   r1 = -57.8, r2 = -56.8, r3 = -14.8, r4 = -13.8,
 &end

# 9 VAL PHI:  (8 GLN C)-(9 VAL N)-(9 VAL CA)-(9 VAL C) -85.8 -43.8
 &rst     iat =   123,   125,   127,   139,
   r1 = -86.8, r2 = -85.8, r3 = -43.8, r4 = -42.8,
 &end

# 9 VAL PSI:  (9 VAL N)-(9 VAL CA)-(9 VAL C)-(10 LEU N) -65.7 -25.7
 &rst     iat =   125,   127,   139,   141,
   r1 = -66.7, r2 = -65.7, r3 = -25.7, r4 = -24.7,
 &end

# 10 LEU PHI:  (9 VAL C)-(10 LEU N)-(10 LEU CA)-(10 LEU C) -89.0 -37.7
 &rst     iat =   139,   141,   143,   158,
   r1 = -90.0, r2 = -89.0, r3 = -37.7, r4 = -36.7,
 &end

# 10 LEU PSI:  (10 LEU N)-(10 LEU CA)-(10 LEU C)-(11 VAL N) -61.3  -6.9
 &rst     iat =   141,   143,   158,   160,
   r1 = -62.3, r2 = -61.3, r3 =  -6.9, r4 =  -5.9,
 &end

# 11 VAL PHI:  (10 LEU C)-(11 VAL N)-(11 VAL CA)-(11 VAL C) -111.6 -44.6
 &rst     iat =   158,   160,   162,   174,
   r1 = -112.6, r2 = -111.6, r3 = -44.6, r4 = -43.6,
 &end

# 11 VAL PSI:  (11 VAL N)-(11 VAL CA)-(11 VAL C)-(12 GLU N) -68.3  19.7
 &rst     iat =   160,   162,   174,   176,
   r1 = -69.3, r2 = -68.3, r3 =  19.7, r4 =  20.7,
 &end

# 12 GLU PHI:  (11 VAL C)-(12 GLU N)-(12 GLU CA)-(12 GLU C) -77.7 -37.7
 &rst     iat =   174,   176,   178,   189,
   r1 = -78.7, r2 = -77.7, r3 = -37.7, r4 = -36.7,
 &end

# 12 GLU PSI:  (12 GLU N)-(12 GLU CA)-(12 GLU C)-(13 ARG N) -56.2 -16.2
 &rst     iat =   176,   178,   189,   191,
   r1 = -57.2, r2 = -56.2, r3 = -16.2, r4 = -15.2,
 &end

# 13 ARG PHI:  (12 GLU C)-(13 ARG N)-(13 ARG CA)-(13 ARG C) -86.8 -46.8
 &rst     iat =   189,   191,   193,   213,
   r1 = -87.8, r2 = -86.8, r3 = -46.8, r4 = -45.8,
 &end

# 13 ARG PSI:  (13 ARG N)-(13 ARG CA)-(13 ARG C)-(14 VAL N) -57.1 -17.1
 &rst     iat =   191,   193,   213,   215,
   r1 = -58.1, r2 = -57.1, r3 = -17.1, r4 = -16.1,
 &end

# 14 VAL PHI:  (13 ARG C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -87.4 -47.4
 &rst     iat =   213,   215,   217,   229,
   r1 = -88.4, r2 = -87.4, r3 = -47.4, r4 = -46.4,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 GLN N) -59.2 -19.2
 &rst     iat =   215,   217,   229,   231,
   r1 = -60.2, r2 = -59.2, r3 = -19.2, r4 = -18.2,
 &end

# 15 GLN PHI:  (14 VAL C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -81.8 -41.8
 &rst     iat =   229,   231,   233,   246,
   r1 = -82.8, r2 = -81.8, r3 = -41.8, r4 = -40.8,
 &end

# 15 GLN PSI:  (15 GLN N)-(15 GLN CA)-(15 GLN C)-(16 LYS N) -54.8 -14.8
 &rst     iat =   231,   233,   246,   248,
   r1 = -55.8, r2 = -54.8, r3 = -14.8, r4 = -13.8,
 &end

# 16 LYS PHI:  (15 GLN C)-(16 LYS N)-(16 LYS CA)-(16 LYS C) -131.6 -58.8
 &rst     iat =   246,   248,   250,   268,
   r1 = -132.6, r2 = -131.6, r3 = -58.8, r4 = -57.8,
 &end

# 16 LYS PSI:  (16 LYS N)-(16 LYS CA)-(16 LYS C)-(17 GLY N) -56.5  24.6
 &rst     iat =   248,   250,   268,   270,
   r1 = -57.5, r2 = -56.5, r3 =  24.6, r4 =  25.6,
 &end

# 18 ASP PHI:  (17 GLY C)-(18 ASP N)-(18 ASP CA)-(18 ASP C) -111.9 -49.8
 &rst     iat =   275,   277,   279,   287,
   r1 = -112.9, r2 = -111.9, r3 = -49.8, r4 = -48.8,
 &end

# 18 ASP PSI:  (18 ASP N)-(18 ASP CA)-(18 ASP C)-(19 GLN N)  84.3 183.6
 &rst     iat =   277,   279,   287,   289,
   r1 =  83.3, r2 =  84.3, r3 = 183.6, r4 = 184.6,
 &end

# 19 GLN PHI:  (18 ASP C)-(19 GLN N)-(19 GLN CA)-(19 GLN C) -105.8 -24.0
 &rst     iat =   287,   289,   291,   304,
   r1 = -106.8, r2 = -105.8, r3 = -24.0, r4 = -23.0,
 &end

# 19 GLN PSI:  (19 GLN N)-(19 GLN CA)-(19 GLN C)-(20 LYS N) -62.1  12.1
 &rst     iat =   289,   291,   304,   306,
   r1 = -63.1, r2 = -62.1, r3 =  12.1, r4 =  13.1,
 &end

# 20 LYS PHI:  (19 GLN C)-(20 LYS N)-(20 LYS CA)-(20 LYS C) -83.1 -43.1
 &rst     iat =   304,   306,   308,   326,
   r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1,
 &end

# 20 LYS PSI:  (20 LYS N)-(20 LYS CA)-(20 LYS C)-(21 ALA N) -63.7  -8.6
 &rst     iat =   306,   308,   326,   328,
   r1 = -64.7, r2 = -63.7, r3 =  -8.6, r4 =  -7.6,
 &end

# 21 ALA PHI:  (20 LYS C)-(21 ALA N)-(21 ALA CA)-(21 ALA C) -87.3 -47.3
 &rst     iat =   326,   328,   330,   336,
   r1 = -88.3, r2 = -87.3, r3 = -47.3, r4 = -46.3,
 &end

# 21 ALA PSI:  (21 ALA N)-(21 ALA CA)-(21 ALA C)-(22 PHE N) -60.9 -19.0
 &rst     iat =   328,   330,   336,   338,
   r1 = -61.9, r2 = -60.9, r3 = -19.0, r4 = -18.0,
 &end

# 22 PHE PHI:  (21 ALA C)-(22 PHE N)-(22 PHE CA)-(22 PHE C) -80.4 -40.4
 &rst     iat =   336,   338,   340,   356,
   r1 = -81.4, r2 = -80.4, r3 = -40.4, r4 = -39.4,
 &end

# 22 PHE PSI:  (22 PHE N)-(22 PHE CA)-(22 PHE C)-(23 ASN N) -65.7 -25.7
 &rst     iat =   338,   340,   356,   358,
   r1 = -66.7, r2 = -65.7, r3 = -25.7, r4 = -24.7,
 &end

# 23 ASN PHI:  (22 PHE C)-(23 ASN N)-(23 ASN CA)-(23 ASN C) -80.4 -40.4
 &rst     iat =   356,   358,   360,   370,
   r1 = -81.4, r2 = -80.4, r3 = -40.4, r4 = -39.4,
 &end

# 23 ASN PSI:  (23 ASN N)-(23 ASN CA)-(23 ASN C)-(24 LEU N) -64.7 -16.4
 &rst     iat =   358,   360,   370,   372,
   r1 = -65.7, r2 = -64.7, r3 = -16.4, r4 = -15.4,
 &end

# 24 LEU PHI:  (23 ASN C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -89.5 -45.5
 &rst     iat =   370,   372,   374,   389,
   r1 = -90.5, r2 = -89.5, r3 = -45.5, r4 = -44.5,
 &end

# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 LEU N) -59.0 -19.0
 &rst     iat =   372,   374,   389,   391,
   r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
 &end

# 25 LEU PHI:  (24 LEU C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -83.1 -43.1
 &rst     iat =   389,   391,   393,   408,
   r1 = -84.1, r2 = -83.1, r3 = -43.1, r4 = -42.1,
 &end

# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 VAL N) -66.1 -26.1
 &rst     iat =   391,   393,   408,   410,
   r1 = -67.1, r2 = -66.1, r3 = -26.1, r4 = -25.1,
 &end

# 26 VAL PHI:  (25 LEU C)-(26 VAL N)-(26 VAL CA)-(26 VAL C) -86.4 -46.4
 &rst     iat =   408,   410,   412,   424,
   r1 = -87.4, r2 = -86.4, r3 = -46.4, r4 = -45.4,
 &end

# 26 VAL PSI:  (26 VAL N)-(26 VAL CA)-(26 VAL C)-(27 VAL N) -65.6 -24.6
 &rst     iat =   410,   412,   424,   426,
   r1 = -66.6, r2 = -65.6, r3 = -24.6, r4 = -23.6,
 &end

# 27 VAL PHI:  (26 VAL C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -78.4 -38.4
 &rst     iat =   424,   426,   428,   440,
   r1 = -79.4, r2 = -78.4, r3 = -38.4, r4 = -37.4,
 &end

# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 ARG N) -66.5 -25.5
 &rst     iat =   426,   428,   440,   442,
   r1 = -67.5, r2 = -66.5, r3 = -25.5, r4 = -24.5,
 &end

# 28 ARG PHI:  (27 VAL C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -92.7 -43.6
 &rst     iat =   440,   442,   444,   464,
   r1 = -93.7, r2 = -92.7, r3 = -43.6, r4 = -42.6,
 &end

# 28 ARG PSI:  (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 TYR N) -58.5 -18.5
 &rst     iat =   442,   444,   464,   466,
   r1 = -59.5, r2 = -58.5, r3 = -18.5, r4 = -17.5,
 &end

# 29 TYR PHI:  (28 ARG C)-(29 TYR N)-(29 TYR CA)-(29 TYR C) -103.6 -53.8
 &rst     iat =   464,   466,   468,   485,
   r1 = -104.6, r2 = -103.6, r3 = -53.8, r4 = -52.8,
 &end

# 29 TYR PSI:  (29 TYR N)-(29 TYR CA)-(29 TYR C)-(30 GLN N) -54.9  -9.0
 &rst     iat =   466,   468,   485,   487,
   r1 = -55.9, r2 = -54.9, r3 =  -9.0, r4 =  -8.0,
 &end

# 30 GLN PHI:  (29 TYR C)-(30 GLN N)-(30 GLN CA)-(30 GLN C) -86.3 -46.3
 &rst     iat =   485,   487,   489,   502,
   r1 = -87.3, r2 = -86.3, r3 = -46.3, r4 = -45.3,
 &end

# 30 GLN PSI:  (30 GLN N)-(30 GLN CA)-(30 GLN C)-(31 HIE N) -59.1 -19.1
 &rst     iat =   487,   489,   502,   504,
   r1 = -60.1, r2 = -59.1, r3 = -19.1, r4 = -18.1,
 &end

# 31 HIS PHI:  (30 GLN C)-(31 HIE N)-(31 HIE CA)-(31 HIE C) -86.5 -45.5
 &rst     iat =   502,   504,   506,   519,
   r1 = -87.5, r2 = -86.5, r3 = -45.5, r4 = -44.5,
 &end

# 31 HIS PSI:  (31 HIE N)-(31 HIE CA)-(31 HIE C)-(32 LYS N) -60.0 -20.0
 &rst     iat =   504,   506,   519,   521,
   r1 = -61.0, r2 = -60.0, r3 = -20.0, r4 = -19.0,
 &end

# 32 LYS PHI:  (31 HIE C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -86.8 -46.8
 &rst     iat =   519,   521,   523,   541,
   r1 = -87.8, r2 = -86.8, r3 = -46.8, r4 = -45.8,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 VAL N) -61.4 -21.4
 &rst     iat =   521,   523,   541,   543,
   r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4,
 &end

# 33 VAL PHI:  (32 LYS C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -84.4 -44.4
 &rst     iat =   541,   543,   545,   557,
   r1 = -85.4, r2 = -84.4, r3 = -44.4, r4 = -43.4,
 &end

# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 ALA N) -61.4 -21.4
 &rst     iat =   543,   545,   557,   559,
   r1 = -62.4, r2 = -61.4, r3 = -21.4, r4 = -20.4,
 &end

# 34 ALA PHI:  (33 VAL C)-(34 ALA N)-(34 ALA CA)-(34 ALA C) -80.2 -40.2
 &rst     iat =   557,   559,   561,   567,
   r1 = -81.2, r2 = -80.2, r3 = -40.2, r4 = -39.2,
 &end

# 34 ALA PSI:  (34 ALA N)-(34 ALA CA)-(34 ALA C)-(35 SER N) -60.3 -20.3
 &rst     iat =   559,   561,   567,   569,
   r1 = -61.3, r2 = -60.3, r3 = -20.3, r4 = -19.3,
 &end

# 35 SER PHI:  (34 ALA C)-(35 SER N)-(35 SER CA)-(35 SER C) -85.2 -45.2
 &rst     iat =   567,   569,   571,   578,
   r1 = -86.2, r2 = -85.2, r3 = -45.2, r4 = -44.2,
 &end

# 35 SER PSI:  (35 SER N)-(35 SER CA)-(35 SER C)-(36 LEU N) -62.3 -22.3
 &rst     iat =   569,   571,   578,   580,
   r1 = -63.3, r2 = -62.3, r3 = -22.3, r4 = -21.3,
 &end

# 36 LEU PHI:  (35 SER C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -88.4 -48.4
 &rst     iat =   578,   580,   582,   597,
   r1 = -89.4, r2 = -88.4, r3 = -48.4, r4 = -47.4,
 &end

# 36 LEU PSI:  (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 VAL N) -66.2 -25.2
 &rst     iat =   580,   582,   597,   599,
   r1 = -67.2, r2 = -66.2, r3 = -25.2, r4 = -24.2,
 &end

# 37 VAL PHI:  (36 LEU C)-(37 VAL N)-(37 VAL CA)-(37 VAL C) -88.5 -44.5
 &rst     iat =   597,   599,   601,   613,
   r1 = -89.5, r2 = -88.5, r3 = -44.5, r4 = -43.5,
 &end

# 37 VAL PSI:  (37 VAL N)-(37 VAL CA)-(37 VAL C)-(38 SER N) -56.3 -13.6
 &rst     iat =   599,   601,   613,   615,
   r1 = -57.3, r2 = -56.3, r3 = -13.6, r4 = -12.6,
 &end

# 38 SER PHI:  (37 VAL C)-(38 SER N)-(38 SER CA)-(38 SER C) -86.0 -46.0
 &rst     iat =   613,   615,   617,   624,
   r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
 &end

# 38 SER PSI:  (38 SER N)-(38 SER CA)-(38 SER C)-(39 ARG N) -58.8  -9.0
 &rst     iat =   615,   617,   624,   626,
   r1 = -59.8, r2 = -58.8, r3 =  -9.0, r4 =  -8.0,
 &end

# 39 ARG PHI:  (38 SER C)-(39 ARG N)-(39 ARG CA)-(39 ARG C) -95.1 -55.1
 &rst     iat =   624,   626,   628,   648,
   r1 = -96.1, r2 = -95.1, r3 = -55.1, r4 = -54.1,
 &end

# 39 ARG PSI:  (39 ARG N)-(39 ARG CA)-(39 ARG C)-(40 TYR N) -58.3  -4.0
 &rst     iat =   626,   628,   648,   650,
   r1 = -59.3, r2 = -58.3, r3 =  -4.0, r4 =  -3.0,
 &end

# 40 TYR PHI:  (39 ARG C)-(40 TYR N)-(40 TYR CA)-(40 TYR C) -122.4 -76.1
 &rst     iat =   648,   650,   652,   669,
   r1 = -123.4, r2 = -122.4, r3 = -76.1, r4 = -75.1,
 &end

# 40 TYR PSI:  (40 TYR N)-(40 TYR CA)-(40 TYR C)-(41 VAL N) -64.9  20.6
 &rst     iat =   650,   652,   669,   671,
   r1 = -65.9, r2 = -64.9, r3 =  20.6, r4 =  21.6,
 &end

# 41 VAL PHI:  (40 TYR C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -161.0 -99.5
 &rst     iat =   669,   671,   673,   685,
   r1 = -162.0, r2 = -161.0, r3 = -99.5, r4 = -98.5,
 &end

# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 PRO N)  58.8 198.8
 &rst     iat =   671,   673,   685,   687,
   r1 =  57.8, r2 =  58.8, r3 = 198.8, r4 = 199.8,
 &end

# 42 PRO PSI:  (42 PRO N)-(42 PRO CA)-(42 PRO C)-(43 SER N) 131.0 171.0
 &rst     iat =   687,   697,   699,   701,
   r1 = 130.0, r2 = 131.0, r3 = 171.0, r4 = 172.0,
 &end

# 43 SER PHI:  (42 PRO C)-(43 SER N)-(43 SER CA)-(43 SER C) -77.0 -37.0
 &rst     iat =   699,   701,   703,   710,
   r1 = -78.0, r2 = -77.0, r3 = -37.0, r4 = -36.0,
 &end

# 43 SER PSI:  (43 SER N)-(43 SER CA)-(43 SER C)-(44 GLY N) -49.2  -8.8
 &rst     iat =   701,   703,   710,   712,
   r1 = -50.2, r2 = -49.2, r3 =  -8.8, r4 =  -7.8,
 &end

# 44 GLY PHI:  (43 SER C)-(44 GLY N)-(44 GLY CA)-(44 GLY C) -88.5 -46.5
 &rst     iat =   710,   712,   714,   717,
   r1 = -89.5, r2 = -88.5, r3 = -46.5, r4 = -45.5,
 &end

# 44 GLY PSI:  (44 GLY N)-(44 GLY CA)-(44 GLY C)-(45 ASP N) -42.4  -2.3
 &rst     iat =   712,   714,   717,   719,
   r1 = -43.4, r2 = -42.4, r3 =  -2.3, r4 =  -1.3,
 &end

# 45 ASP PHI:  (44 GLY C)-(45 ASP N)-(45 ASP CA)-(45 ASP C) -116.0 -53.1
 &rst     iat =   717,   719,   721,   729,
   r1 = -117.0, r2 = -116.0, r3 = -53.1, r4 = -52.1,
 &end

# 45 ASP PSI:  (45 ASP N)-(45 ASP CA)-(45 ASP C)-(46 VAL N) -45.4  -1.4
 &rst     iat =   719,   721,   729,   731,
   r1 = -46.4, r2 = -45.4, r3 =  -1.4, r4 =  -0.4,
 &end

# 46 VAL PHI:  (45 ASP C)-(46 VAL N)-(46 VAL CA)-(46 VAL C) -79.9 -28.2
 &rst     iat =   729,   731,   733,   745,
   r1 = -80.9, r2 = -79.9, r3 = -28.2, r4 = -27.2,
 &end

# 46 VAL PSI:  (46 VAL N)-(46 VAL CA)-(46 VAL C)-(47 PRO N) -68.1 -28.1
 &rst     iat =   731,   733,   745,   747,
   r1 = -69.1, r2 = -68.1, r3 = -28.1, r4 = -27.1,
 &end

# 47 PRO PSI:  (47 PRO N)-(47 PRO CA)-(47 PRO C)-(48 ASP N) -57.8 -17.7
 &rst     iat =   747,   757,   759,   761,
   r1 = -58.8, r2 = -57.8, r3 = -17.7, r4 = -16.7,
 &end

# 48 ASP PHI:  (47 PRO C)-(48 ASP N)-(48 ASP CA)-(48 ASP C) -86.0 -46.0
 &rst     iat =   759,   761,   763,   771,
   r1 = -87.0, r2 = -86.0, r3 = -46.0, r4 = -45.0,
 &end

# 48 ASP PSI:  (48 ASP N)-(48 ASP CA)-(48 ASP C)-(49 VAL N) -59.5 -18.5
 &rst     iat =   761,   763,   771,   773,
   r1 = -60.5, r2 = -59.5, r3 = -18.5, r4 = -17.5,
 &end

# 49 VAL PHI:  (48 ASP C)-(49 VAL N)-(49 VAL CA)-(49 VAL C) -86.5 -46.5
 &rst     iat =   771,   773,   775,   787,
   r1 = -87.5, r2 = -86.5, r3 = -46.5, r4 = -45.5,
 &end

# 49 VAL PSI:  (49 VAL N)-(49 VAL CA)-(49 VAL C)-(50 VAL N) -65.0 -25.0
 &rst     iat =   773,   775,   787,   789,
   r1 = -66.0, r2 = -65.0, r3 = -25.0, r4 = -24.0,
 &end

# 50 VAL PHI:  (49 VAL C)-(50 VAL N)-(50 VAL CA)-(50 VAL C) -82.2 -42.2
 &rst     iat =   787,   789,   791,   803,
   r1 = -83.2, r2 = -82.2, r3 = -42.2, r4 = -41.2,
 &end

# 50 VAL PSI:  (50 VAL N)-(50 VAL CA)-(50 VAL C)-(51 GLN N) -65.1 -25.1
 &rst     iat =   789,   791,   803,   805,
   r1 = -66.1, r2 = -65.1, r3 = -25.1, r4 = -24.1,
 &end

# 51 GLN PHI:  (50 VAL C)-(51 GLN N)-(51 GLN CA)-(51 GLN C) -82.3 -42.3
 &rst     iat =   803,   805,   807,   820,
   r1 = -83.3, r2 = -82.3, r3 = -42.3, r4 = -41.3,
 &end

# 51 GLN PSI:  (51 GLN N)-(51 GLN CA)-(51 GLN C)-(52 GLU N) -59.5 -19.5
 &rst     iat =   805,   807,   820,   822,
   r1 = -60.5, r2 = -59.5, r3 = -19.5, r4 = -18.5,
 &end

# 52 GLU PHI:  (51 GLN C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -84.3 -44.3
 &rst     iat =   820,   822,   824,   835,
   r1 = -85.3, r2 = -84.3, r3 = -44.3, r4 = -43.3,
 &end

# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 ALA N) -61.0 -21.0
 &rst     iat =   822,   824,   835,   837,
   r1 = -62.0, r2 = -61.0, r3 = -21.0, r4 = -20.0,
 &end

# 53 ALA PHI:  (52 GLU C)-(53 ALA N)-(53 ALA CA)-(53 ALA C) -82.9 -42.9
 &rst     iat =   835,   837,   839,   845,
   r1 = -83.9, r2 = -82.9, r3 = -42.9, r4 = -41.9,
 &end

# 53 ALA PSI:  (53 ALA N)-(53 ALA CA)-(53 ALA C)-(54 PHE N) -61.0 -21.0
 &rst     iat =   837,   839,   845,   847,
   r1 = -62.0, r2 = -61.0, r3 = -21.0, r4 = -20.0,
 &end

# 54 PHE PHI:  (53 ALA C)-(54 PHE N)-(54 PHE CA)-(54 PHE C) -85.1 -42.1
 &rst     iat =   845,   847,   849,   865,
   r1 = -86.1, r2 = -85.1, r3 = -42.1, r4 = -41.1,
 &end

# 54 PHE PSI:  (54 PHE N)-(54 PHE CA)-(54 PHE C)-(55 ILE N) -57.1 -17.1
 &rst     iat =   847,   849,   865,   867,
   r1 = -58.1, r2 = -57.1, r3 = -17.1, r4 = -16.1,
 &end

# 55 ILE PHI:  (54 PHE C)-(55 ILE N)-(55 ILE CA)-(55 ILE C) -93.7 -44.7
 &rst     iat =   865,   867,   869,   884,
   r1 = -94.7, r2 = -93.7, r3 = -44.7, r4 = -43.7,
 &end

# 55 ILE PSI:  (55 ILE N)-(55 ILE CA)-(55 ILE C)-(56 LYS N) -58.9 -18.9
 &rst     iat =   867,   869,   884,   886,
   r1 = -59.9, r2 = -58.9, r3 = -18.9, r4 = -17.9,
 &end

# 56 LYS PHI:  (55 ILE C)-(56 LYS N)-(56 LYS CA)-(56 LYS C) -79.1 -39.1
 &rst     iat =   884,   886,   888,   906,
   r1 = -80.1, r2 = -79.1, r3 = -39.1, r4 = -38.1,
 &end

# 56 LYS PSI:  (56 LYS N)-(56 LYS CA)-(56 LYS C)-(57 ALA N) -59.9 -14.0
 &rst     iat =   886,   888,   906,   908,
   r1 = -60.9, r2 = -59.9, r3 = -14.0, r4 = -13.0,
 &end

# 57 ALA PHI:  (56 LYS C)-(57 ALA N)-(57 ALA CA)-(57 ALA C) -85.7 -45.7
 &rst     iat =   906,   908,   910,   916,
   r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7,
 &end

# 57 ALA PSI:  (57 ALA N)-(57 ALA CA)-(57 ALA C)-(58 TYR N) -59.0 -19.0
 &rst     iat =   908,   910,   916,   918,
   r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
 &end

# 58 TYR PHI:  (57 ALA C)-(58 TYR N)-(58 TYR CA)-(58 TYR C) -80.7 -40.7
 &rst     iat =   916,   918,   920,   937,
   r1 = -81.7, r2 = -80.7, r3 = -40.7, r4 = -39.7,
 &end

# 58 TYR PSI:  (58 TYR N)-(58 TYR CA)-(58 TYR C)-(59 ARG N) -62.9 -22.9
 &rst     iat =   918,   920,   937,   939,
   r1 = -63.9, r2 = -62.9, r3 = -22.9, r4 = -21.9,
 &end

# 59 ARG PHI:  (58 TYR C)-(59 ARG N)-(59 ARG CA)-(59 ARG C) -94.0 -49.7
 &rst     iat =   937,   939,   941,   961,
   r1 = -95.0, r2 = -94.0, r3 = -49.7, r4 = -48.7,
 &end

# 59 ARG PSI:  (59 ARG N)-(59 ARG CA)-(59 ARG C)-(60 ALA N) -60.4  18.3
 &rst     iat =   939,   941,   961,   963,
   r1 = -61.4, r2 = -60.4, r3 =  18.3, r4 =  19.3,
 &end

# 61 LEU PHI:  (60 ALA C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -76.9 -36.9
 &rst     iat =   971,   973,   975,   990,
   r1 = -77.9, r2 = -76.9, r3 = -36.9, r4 = -35.9,
 &end

# 61 LEU PSI:  (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 ASP N) -59.2 -17.1
 &rst     iat =   973,   975,   990,   992,
   r1 = -60.2, r2 = -59.2, r3 = -17.1, r4 = -16.1,
 &end

# 62 ASP PHI:  (61 LEU C)-(62 ASP N)-(62 ASP CA)-(62 ASP C) -92.4 -52.4
 &rst     iat =   990,   992,   994,  1002,
   r1 = -93.4, r2 = -92.4, r3 = -52.4, r4 = -51.4,
 &end

# 62 ASP PSI:  (62 ASP N)-(62 ASP CA)-(62 ASP C)-(63 SER N) -51.7   2.7
 &rst     iat =   992,   994,  1002,  1004,
   r1 = -52.7, r2 = -51.7, r3 =   2.7, r4 =   3.7,
 &end

# 63 SER PHI:  (62 ASP C)-(63 SER N)-(63 SER CA)-(63 SER C) -113.1 -72.5
 &rst     iat =  1002,  1004,  1006,  1013,
   r1 = -114.1, r2 = -113.1, r3 = -72.5, r4 = -71.5,
 &end

# 63 SER PSI:  (63 SER N)-(63 SER CA)-(63 SER C)-(64 PHE N) -31.4   8.6
 &rst     iat =  1004,  1006,  1013,  1015,
   r1 = -32.4, r2 = -31.4, r3 =   8.6, r4 =   9.6,
 &end

# 64 PHE PHI:  (63 SER C)-(64 PHE N)-(64 PHE CA)-(64 PHE C) -115.6 -40.5
 &rst     iat =  1013,  1015,  1017,  1033,
   r1 = -116.6, r2 = -115.6, r3 = -40.5, r4 = -39.5,
 &end

# 64 PHE PSI:  (64 PHE N)-(64 PHE CA)-(64 PHE C)-(65 ARG N) 113.1 153.1
 &rst     iat =  1015,  1017,  1033,  1035,
   r1 = 112.1, r2 = 113.1, r3 = 153.1, r4 = 154.1,
 &end

# 69 ALA PHI:  (68 SER C)-(69 ALA N)-(69 ALA CA)-(69 ALA C) -141.9 -19.5
 &rst     iat =  1087,  1089,  1091,  1097,
   r1 = -142.9, r2 = -141.9, r3 = -19.5, r4 = -18.5,
 &end

# 69 ALA PSI:  (69 ALA N)-(69 ALA CA)-(69 ALA C)-(70 PHE N)  55.5 195.6
 &rst     iat =  1089,  1091,  1097,  1099,
   r1 =  54.5, r2 =  55.5, r3 = 195.6, r4 = 196.6,
 &end

# 70 PHE PHI:  (69 ALA C)-(70 PHE N)-(70 PHE CA)-(70 PHE C) -75.5 -35.5
 &rst     iat =  1097,  1099,  1101,  1117,
   r1 = -76.5, r2 = -75.5, r3 = -35.5, r4 = -34.5,
 &end

# 70 PHE PSI:  (70 PHE N)-(70 PHE CA)-(70 PHE C)-(71 TYR N) -61.9 -21.9
 &rst     iat =  1099,  1101,  1117,  1119,
   r1 = -62.9, r2 = -61.9, r3 = -21.9, r4 = -20.9,
 &end

# 71 TYR PHI:  (70 PHE C)-(71 TYR N)-(71 TYR CA)-(71 TYR C) -83.4 -43.4
 &rst     iat =  1117,  1119,  1121,  1138,
   r1 = -84.4, r2 = -83.4, r3 = -43.4, r4 = -42.4,
 &end

# 71 TYR PSI:  (71 TYR N)-(71 TYR CA)-(71 TYR C)-(72 THR N) -58.1 -18.1
 &rst     iat =  1119,  1121,  1138,  1140,
   r1 = -59.1, r2 = -58.1, r3 = -18.1, r4 = -17.1,
 &end

# 72 THR PHI:  (71 TYR C)-(72 THR N)-(72 THR CA)-(72 THR C) -85.2 -45.2
 &rst     iat =  1138,  1140,  1142,  1152,
   r1 = -86.2, r2 = -85.2, r3 = -45.2, r4 = -44.2,
 &end

# 72 THR PSI:  (72 THR N)-(72 THR CA)-(72 THR C)-(73 TRP N) -60.4 -20.4
 &rst     iat =  1140,  1142,  1152,  1154,
   r1 = -61.4, r2 = -60.4, r3 = -20.4, r4 = -19.4,
 &end

# 73 TRP PHI:  (72 THR C)-(73 TRP N)-(73 TRP CA)-(73 TRP C) -85.0 -45.0
 &rst     iat =  1152,  1154,  1156,  1176,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 73 TRP PSI:  (73 TRP N)-(73 TRP CA)-(73 TRP C)-(74 LEU N) -63.8 -23.8
 &rst     iat =  1154,  1156,  1176,  1178,
   r1 = -64.8, r2 = -63.8, r3 = -23.8, r4 = -22.8,
 &end

# 74 LEU PHI:  (73 TRP C)-(74 LEU N)-(74 LEU CA)-(74 LEU C) -85.7 -45.7
 &rst     iat =  1176,  1178,  1180,  1195,
   r1 = -86.7, r2 = -85.7, r3 = -45.7, r4 = -44.7,
 &end

# 74 LEU PSI:  (74 LEU N)-(74 LEU CA)-(74 LEU C)-(75 TYR N) -64.6 -10.3
 &rst     iat =  1178,  1180,  1195,  1197,
   r1 = -65.6, r2 = -64.6, r3 = -10.3, r4 =  -9.3,
 &end

# 75 TYR PHI:  (74 LEU C)-(75 TYR N)-(75 TYR CA)-(75 TYR C) -85.8 -45.8
 &rst     iat =  1195,  1197,  1199,  1216,
   r1 = -86.8, r2 = -85.8, r3 = -45.8, r4 = -44.8,
 &end

# 75 TYR PSI:  (75 TYR N)-(75 TYR CA)-(75 TYR C)-(76 ARG N) -60.5 -20.5
 &rst     iat =  1197,  1199,  1216,  1218,
   r1 = -61.5, r2 = -60.5, r3 = -20.5, r4 = -19.5,
 &end

# 76 ARG PHI:  (75 TYR C)-(76 ARG N)-(76 ARG CA)-(76 ARG C) -83.2 -43.2
 &rst     iat =  1216,  1218,  1220,  1240,
   r1 = -84.2, r2 = -83.2, r3 = -43.2, r4 = -42.2,
 &end

# 76 ARG PSI:  (76 ARG N)-(76 ARG CA)-(76 ARG C)-(77 ILE N) -57.7 -17.7
 &rst     iat =  1218,  1220,  1240,  1242,
   r1 = -58.7, r2 = -57.7, r3 = -17.7, r4 = -16.7,
 &end

# 77 ILE PHI:  (76 ARG C)-(77 ILE N)-(77 ILE CA)-(77 ILE C) -83.9 -43.9
 &rst     iat =  1240,  1242,  1244,  1259,
   r1 = -84.9, r2 = -83.9, r3 = -43.9, r4 = -42.9,
 &end

# 77 ILE PSI:  (77 ILE N)-(77 ILE CA)-(77 ILE C)-(78 ALA N) -60.9 -20.9
 &rst     iat =  1242,  1244,  1259,  1261,
   r1 = -61.9, r2 = -60.9, r3 = -20.9, r4 = -19.9,
 &end

# 78 ALA PHI:  (77 ILE C)-(78 ALA N)-(78 ALA CA)-(78 ALA C) -85.1 -45.1
 &rst     iat =  1259,  1261,  1263,  1269,
   r1 = -86.1, r2 = -85.1, r3 = -45.1, r4 = -44.1,
 &end

# 78 ALA PSI:  (78 ALA N)-(78 ALA CA)-(78 ALA C)-(79 VAL N) -59.8 -19.8
 &rst     iat =  1261,  1263,  1269,  1271,
   r1 = -60.8, r2 = -59.8, r3 = -19.8, r4 = -18.8,
 &end

# 79 VAL PHI:  (78 ALA C)-(79 VAL N)-(79 VAL CA)-(79 VAL C) -81.3 -41.3
 &rst     iat =  1269,  1271,  1273,  1285,
   r1 = -82.3, r2 = -81.3, r3 = -41.3, r4 = -40.3,
 &end

# 79 VAL PSI:  (79 VAL N)-(79 VAL CA)-(79 VAL C)-(80 ASN N) -65.5 -25.5
 &rst     iat =  1271,  1273,  1285,  1287,
   r1 = -66.5, r2 = -65.5, r3 = -25.5, r4 = -24.5,
 &end

# 80 ASN PHI:  (79 VAL C)-(80 ASN N)-(80 ASN CA)-(80 ASN C) -80.1 -40.1
 &rst     iat =  1285,  1287,  1289,  1299,
   r1 = -81.1, r2 = -80.1, r3 = -40.1, r4 = -39.1,
 &end

# 80 ASN PSI:  (80 ASN N)-(80 ASN CA)-(80 ASN C)-(81 THR N) -59.0 -19.0
 &rst     iat =  1287,  1289,  1299,  1301,
   r1 = -60.0, r2 = -59.0, r3 = -19.0, r4 = -18.0,
 &end

# 81 THR PHI:  (80 ASN C)-(81 THR N)-(81 THR CA)-(81 THR C) -89.1 -49.1
 &rst     iat =  1299,  1301,  1303,  1313,
   r1 = -90.1, r2 = -89.1, r3 = -49.1, r4 = -48.1,
 &end

# 81 THR PSI:  (81 THR N)-(81 THR CA)-(81 THR C)-(82 ALA N) -58.1 -18.1
 &rst     iat =  1301,  1303,  1313,  1315,
   r1 = -59.1, r2 = -58.1, r3 = -18.1, r4 = -17.1,
 &end

# 82 ALA PHI:  (81 THR C)-(82 ALA N)-(82 ALA CA)-(82 ALA C) -82.7 -42.7
 &rst     iat =  1313,  1315,  1317,  1323,
   r1 = -83.7, r2 = -82.7, r3 = -42.7, r4 = -41.7,
 &end

# 82 ALA PSI:  (82 ALA N)-(82 ALA CA)-(82 ALA C)-(83 LYS N) -60.7 -11.0
 &rst     iat =  1315,  1317,  1323,  1325,
   r1 = -61.7, r2 = -60.7, r3 = -11.0, r4 = -10.0,
 &end

# 83 LYS PHI:  (82 ALA C)-(83 LYS N)-(83 LYS CA)-(83 LYS C) -96.7 -47.1
 &rst     iat =  1323,  1325,  1327,  1345,
   r1 = -97.7, r2 = -96.7, r3 = -47.1, r4 = -46.1,
 &end

# 83 LYS PSI:  (83 LYS N)-(83 LYS CA)-(83 LYS C)-(84 ASN N) -44.3  -2.6
 &rst     iat =  1325,  1327,  1345,  1347,
   r1 = -45.3, r2 = -44.3, r3 =  -2.6, r4 =  -1.6,
 &end

# 84 ASN PHI:  (83 LYS C)-(84 ASN N)-(84 ASN CA)-(84 ASN C) -108.6 -38.5
 &rst     iat =  1345,  1347,  1349,  1359,
   r1 = -109.6, r2 = -108.6, r3 = -38.5, r4 = -37.5,
 &end

# 84 ASN PSI:  (84 ASN N)-(84 ASN CA)-(84 ASN C)-(85 TYR N) -79.9  22.8
 &rst     iat =  1347,  1349,  1359,  1361,
   r1 = -80.9, r2 = -79.9, r3 =  22.8, r4 =  23.8,
 &end

# 85 TYR PHI:  (84 ASN C)-(85 TYR N)-(85 TYR CA)-(85 TYR C) -82.7 -42.7
 &rst     iat =  1359,  1361,  1363,  1380,
   r1 = -83.7, r2 = -82.7, r3 = -42.7, r4 = -41.7,
 &end

# 85 TYR PSI:  (85 TYR N)-(85 TYR CA)-(85 TYR C)-(86 LEU N) -64.5 -24.5
 &rst     iat =  1361,  1363,  1380,  1382,
   r1 = -65.5, r2 = -64.5, r3 = -24.5, r4 = -23.5,
 &end

# 86 LEU PHI:  (85 TYR C)-(86 LEU N)-(86 LEU CA)-(86 LEU C) -82.1 -42.1
 &rst     iat =  1380,  1382,  1384,  1399,
   r1 = -83.1, r2 = -82.1, r3 = -42.1, r4 = -41.1,
 &end

# 86 LEU PSI:  (86 LEU N)-(86 LEU CA)-(86 LEU C)-(87 VAL N) -56.5 -16.5
 &rst     iat =  1382,  1384,  1399,  1401,
   r1 = -57.5, r2 = -56.5, r3 = -16.5, r4 = -15.5,
 &end

# 87 VAL PHI:  (86 LEU C)-(87 VAL N)-(87 VAL CA)-(87 VAL C) -101.8 -55.0
 &rst     iat =  1399,  1401,  1403,  1415,
   r1 = -102.8, r2 = -101.8, r3 = -55.0, r4 = -54.0,
 &end

# 87 VAL PSI:  (87 VAL N)-(87 VAL CA)-(87 VAL C)-(88 ALA N) -55.1 -15.1
 &rst     iat =  1401,  1403,  1415,  1417,
   r1 = -56.1, r2 = -55.1, r3 = -15.1, r4 = -14.1,
 &end

# 88 ALA PHI:  (87 VAL C)-(88 ALA N)-(88 ALA CA)-(88 ALA C) -82.9 -42.9
 &rst     iat =  1415,  1417,  1419,  1425,
   r1 = -83.9, r2 = -82.9, r3 = -42.9, r4 = -41.9,
 &end

# 88 ALA PSI:  (88 ALA N)-(88 ALA CA)-(88 ALA C)-(89 GLN N) -65.4  -1.6
 &rst     iat =  1417,  1419,  1425,  1427,
   r1 = -66.4, r2 = -65.4, r3 =  -1.6, r4 =  -0.6,
 &end

# 89 GLN PHI:  (88 ALA C)-(89 GLN N)-(89 GLN CA)-(89 GLN C) -118.4 -50.8
 &rst     iat =  1425,  1427,  1429,  1442,
   r1 = -119.4, r2 = -118.4, r3 = -50.8, r4 = -49.8,
 &end

# 89 GLN PSI:  (89 GLN N)-(89 GLN CA)-(89 GLN C)-(90 GLY N) -53.4  22.5
 &rst     iat =  1427,  1429,  1442,  1444,
   r1 = -54.4, r2 = -53.4, r3 =  22.5, r4 =  23.5,
 &end

# 91 ARG PHI:  (90 GLY C)-(91 ARG N)-(91 ARG CA)-(91 ARG C) -156.5 -16.5
 &rst     iat =  1449,  1451,  1453,  1473,
   r1 = -157.5, r2 = -156.5, r3 = -16.5, r4 = -15.5,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3 = 200.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=33,38,36,37, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=35,41,39,40, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,44,34,35, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=48,53,51,52, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=50,56,54,55, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=46,61,49,50, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 5 atoms:  CB CD1 CD2 HG
 &rst iat=67,72,76,71, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=63,80,66,67, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=84,88,92,87, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=82,94,85,86, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=96,106,99,100, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=110,115,113,114, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=112,118,116,117, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=108,123,111,112, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=127,131,135,130, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=125,139,128,129, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=143,148,146,147, &end
#
#  chirality for residue 10 atoms:  CB CD1 CD2 HG
 &rst iat=145,150,154,149, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=141,158,144,145, &end
#
#  chirality for residue 11 atoms:  CA CG1 CG2 HB
 &rst iat=162,166,170,165, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=160,174,163,164, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=178,183,181,182, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=180,186,184,185, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=176,189,179,180, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=193,198,196,197, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=195,201,199,200, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat=198,204,202,203, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=191,213,194,195, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=217,221,225,220, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=215,229,218,219, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=233,238,236,237, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=235,241,239,240, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=231,246,234,235, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=250,255,253,254, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=252,258,256,257, &end
#
#  chirality for residue 16 atoms:  CD NZ HE2 HE3
 &rst iat=258,264,262,263, &end
#
#  chirality for residue 16 atoms:  CG CE HD2 HD3
 &rst iat=255,261,259,260, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=248,268,251,252, &end
#
#  chirality for residue 17 atoms:  N C HA2 HA3
 &rst iat=270,275,273,274, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=277,287,280,281, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=289,304,292,293, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=310,316,314,315, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=316,322,320,321, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=313,319,317,318, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=306,326,309,310, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=328,336,331,332, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=340,345,343,344, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=338,356,341,342, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=360,365,363,364, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=358,370,361,362, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=374,379,377,378, &end
#
#  chirality for residue 24 atoms:  CB CD1 CD2 HG
 &rst iat=376,381,385,380, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=372,389,375,376, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=393,398,396,397, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=395,400,404,399, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=391,408,394,395, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=412,416,420,415, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=410,424,413,414, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=428,432,436,431, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=426,440,429,430, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=444,449,447,448, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=446,452,450,451, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=449,455,453,454, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=442,464,445,446, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=468,473,471,472, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=466,485,469,470, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=491,497,495,496, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=487,502,490,491, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=506,511,509,510, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=504,519,507,508, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=525,531,529,530, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=531,537,535,536, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=528,534,532,533, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=521,541,524,525, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=545,549,553,548, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=543,557,546,547, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=559,567,562,563, &end
#
#  chirality for residue 35 atoms:  CA OG HB2 HB3
 &rst iat=571,576,574,575, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=569,578,572,573, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=584,589,593,588, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=580,597,583,584, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=601,605,609,604, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=599,613,602,603, &end
#
#  chirality for residue 38 atoms:  CA OG HB2 HB3
 &rst iat=617,622,620,621, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=615,624,618,619, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=628,633,631,632, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=630,636,634,635, &end
#
#  chirality for residue 39 atoms:  CG NE HD2 HD3
 &rst iat=633,639,637,638, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=626,648,629,630, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=652,657,655,656, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=650,669,653,654, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=673,677,681,676, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=671,685,674,675, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=697,691,695,696, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=694,688,692,693, &end
#
#  chirality for residue 42 atoms:  CG N HD2 HD3
 &rst iat=691,687,689,690, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=687,699,698,694, &end
#
#  chirality for residue 43 atoms:  CA OG HB2 HB3
 &rst iat=703,708,706,707, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=701,710,704,705, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=712,717,715,716, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=721,726,724,725, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=719,729,722,723, &end
#
#  chirality for residue 46 atoms:  CA CG1 CG2 HB
 &rst iat=733,737,741,736, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=731,745,734,735, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=757,751,755,756, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=754,748,752,753, &end
#
#  chirality for residue 47 atoms:  CG N HD2 HD3
 &rst iat=751,747,749,750, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=747,759,758,754, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=763,768,766,767, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=761,771,764,765, &end
#
#  chirality for residue 49 atoms:  CA CG1 CG2 HB
 &rst iat=775,779,783,778, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=773,787,776,777, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=791,795,799,794, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=789,803,792,793, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=807,812,810,811, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=809,815,813,814, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=805,820,808,809, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=824,829,827,828, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=826,832,830,831, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=822,835,825,826, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=837,845,840,841, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=849,854,852,853, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=847,865,850,851, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=869,873,877,872, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=871,880,878,879, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=867,884,870,871, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=888,893,891,892, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=890,896,894,895, &end
#
#  chirality for residue 56 atoms:  CD NZ HE2 HE3
 &rst iat=896,902,900,901, &end
#
#  chirality for residue 56 atoms:  CG CE HD2 HD3
 &rst iat=893,899,897,898, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=886,906,889,890, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=908,916,911,912, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=920,925,923,924, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=918,937,921,922, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=941,946,944,945, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=943,949,947,948, &end
#
#  chirality for residue 59 atoms:  CG NE HD2 HD3
 &rst iat=946,952,950,951, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=939,961,942,943, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=963,971,966,967, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=975,980,978,979, &end
#
#  chirality for residue 61 atoms:  CB CD1 CD2 HG
 &rst iat=977,982,986,981, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=973,990,976,977, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=994,999,997,998, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=992,1002,995,996, &end
#
#  chirality for residue 63 atoms:  CA OG HB2 HB3
 &rst iat=1006,1011,1009,1010, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1004,1013,1007,1008, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1017,1022,1020,1021, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1015,1033,1018,1019, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1037,1042,1040,1041, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1039,1045,1043,1044, &end
#
#  chirality for residue 65 atoms:  CG NE HD2 HD3
 &rst iat=1042,1048,1046,1047, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1035,1057,1038,1039, &end
#
#  chirality for residue 66 atoms:  N C HA2 HA3
 &rst iat=1059,1064,1062,1063, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1068,1073,1071,1072, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1066,1076,1069,1070, &end
#
#  chirality for residue 68 atoms:  CA OG HB2 HB3
 &rst iat=1080,1085,1083,1084, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1078,1087,1081,1082, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1089,1097,1092,1093, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1099,1117,1102,1103, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1121,1126,1124,1125, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1119,1138,1122,1123, &end
#
#  chirality for residue 72 atoms:  CA CG2 OG1 HB
 &rst iat=1142,1146,1150,1145, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1140,1152,1143,1144, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1156,1161,1159,1160, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1154,1176,1157,1158, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1180,1185,1183,1184, &end
#
#  chirality for residue 74 atoms:  CB CD1 CD2 HG
 &rst iat=1182,1187,1191,1186, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1178,1195,1181,1182, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1199,1204,1202,1203, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1197,1216,1200,1201, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1220,1225,1223,1224, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1222,1228,1226,1227, &end
#
#  chirality for residue 76 atoms:  CG NE HD2 HD3
 &rst iat=1225,1231,1229,1230, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1218,1240,1221,1222, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1244,1248,1252,1247, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1246,1255,1253,1254, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1242,1259,1245,1246, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1261,1269,1264,1265, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1273,1277,1281,1276, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1271,1285,1274,1275, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1289,1294,1292,1293, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1287,1299,1290,1291, &end
#
#  chirality for residue 81 atoms:  CA CG2 OG1 HB
 &rst iat=1303,1307,1311,1306, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1301,1313,1304,1305, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1315,1323,1318,1319, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1327,1332,1330,1331, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1329,1335,1333,1334, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1335,1341,1339,1340, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1332,1338,1336,1337, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1325,1345,1328,1329, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1349,1354,1352,1353, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1347,1359,1350,1351, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1363,1368,1366,1367, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1361,1380,1364,1365, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1384,1389,1387,1388, &end
#
#  chirality for residue 86 atoms:  CB CD1 CD2 HG
 &rst iat=1386,1391,1395,1390, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1382,1399,1385,1386, &end
#
#  chirality for residue 87 atoms:  CA CG1 CG2 HB
 &rst iat=1403,1407,1411,1406, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1401,1415,1404,1405, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1417,1425,1420,1421, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1429,1434,1432,1433, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1431,1437,1435,1436, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1427,1442,1430,1431, &end
#
#  chirality for residue 90 atoms:  N C HA2 HA3
 &rst iat=1444,1449,1447,1448, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1453,1458,1456,1457, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1455,1461,1459,1460, &end
#
#  chirality for residue 91 atoms:  CG NE HD2 HD3
 &rst iat=1458,1464,1462,1463, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1451,1473,1454,1455, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1477,1482,1480,1481, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1479,1485,1483,1484, &end
#
#  chirality for residue 92 atoms:  CG NE HD2 HD3
 &rst iat=1482,1488,1486,1487, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1475,1497,1478,1479, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1501,1506,1504,1505, &end
#
#  chirality for residue 93 atoms:  CB CD1 CD2 HG
 &rst iat=1503,1508,1512,1507, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1499,1516,1502,1503, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1520,1525,1523,1524, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1522,1528,1526,1527, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1518,1531,1521,1522, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1535,1540,1538,1539, &end
#
#  chirality for residue 95 atoms:  CB CD1 CD2 HG
 &rst iat=1537,1542,1546,1541, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1533,1550,1536,1537, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1554,1558,1562,1557, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1552,1566,1555,1556, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1578,1572,1576,1577, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1575,1569,1573,1574, &end
#
#  chirality for residue 97 atoms:  CG N HD2 HD3
 &rst iat=1572,1568,1570,1571, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1568,1580,1579,1575, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1584,1589,1587,1588, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1586,1592,1590,1591, &end
#
#  chirality for residue 98 atoms:  CG NE HD2 HD3
 &rst iat=1589,1595,1593,1594, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1582,1604,1585,1586, &end
#
#  chirality for residue 99 atoms:  N C HA2 HA3
 &rst iat=1606,1611,1609,1610, &end
#
#  chirality for residue 100 atoms:  CA OG HB2 HB3
 &rst iat=1615,1620,1618,1619, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1613,1622,1616,1617, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1626,1631,1629,1630, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1624,1639,1627,1628, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1643,1648,1646,1647, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1641,1656,1644,1645, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1660,1665,1663,1664, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1658,1673,1661,1662, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1677,1682,1680,1681, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1675,1690,1678,1679, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1694,1699,1697,1698, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1692,1707,1695,1696, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1711,1716,1714,1715, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1709,1724,1712,1713, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=48,46,44,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=65,63,61,48, &end
#
#  trans-omega constraint for residue 6
 &rst iat=84,82,80,65, &end
#
#  trans-omega constraint for residue 7
 &rst iat=98,96,94,84, &end
#
#  trans-omega constraint for residue 8
 &rst iat=110,108,106,98, &end
#
#  trans-omega constraint for residue 9
 &rst iat=127,125,123,110, &end
#
#  trans-omega constraint for residue 10
 &rst iat=143,141,139,127, &end
#
#  trans-omega constraint for residue 11
 &rst iat=162,160,158,143, &end
#
#  trans-omega constraint for residue 12
 &rst iat=178,176,174,162, &end
#
#  trans-omega constraint for residue 13
 &rst iat=193,191,189,178, &end
#
#  trans-omega constraint for residue 14
 &rst iat=217,215,213,193, &end
#
#  trans-omega constraint for residue 15
 &rst iat=233,231,229,217, &end
#
#  trans-omega constraint for residue 16
 &rst iat=250,248,246,233, &end
#
#  trans-omega constraint for residue 17
 &rst iat=272,270,268,250, &end
#
#  trans-omega constraint for residue 18
 &rst iat=279,277,275,272, &end
#
#  trans-omega constraint for residue 19
 &rst iat=291,289,287,279, &end
#
#  trans-omega constraint for residue 20
 &rst iat=308,306,304,291, &end
#
#  trans-omega constraint for residue 21
 &rst iat=330,328,326,308, &end
#
#  trans-omega constraint for residue 22
 &rst iat=340,338,336,330, &end
#
#  trans-omega constraint for residue 23
 &rst iat=360,358,356,340, &end
#
#  trans-omega constraint for residue 24
 &rst iat=374,372,370,360, &end
#
#  trans-omega constraint for residue 25
 &rst iat=393,391,389,374, &end
#
#  trans-omega constraint for residue 26
 &rst iat=412,410,408,393, &end
#
#  trans-omega constraint for residue 27
 &rst iat=428,426,424,412, &end
#
#  trans-omega constraint for residue 28
 &rst iat=444,442,440,428, &end
#
#  trans-omega constraint for residue 29
 &rst iat=468,466,464,444, &end
#
#  trans-omega constraint for residue 30
 &rst iat=489,487,485,468, &end
#
#  trans-omega constraint for residue 31
 &rst iat=506,504,502,489, &end
#
#  trans-omega constraint for residue 32
 &rst iat=523,521,519,506, &end
#
#  trans-omega constraint for residue 33
 &rst iat=545,543,541,523, &end
#
#  trans-omega constraint for residue 34
 &rst iat=561,559,557,545, &end
#
#  trans-omega constraint for residue 35
 &rst iat=571,569,567,561, &end
#
#  trans-omega constraint for residue 36
 &rst iat=582,580,578,571, &end
#
#  trans-omega constraint for residue 37
 &rst iat=601,599,597,582, &end
#
#  trans-omega constraint for residue 38
 &rst iat=617,615,613,601, &end
#
#  trans-omega constraint for residue 39
 &rst iat=628,626,624,617, &end
#
#  trans-omega constraint for residue 40
 &rst iat=652,650,648,628, &end
#
#  trans-omega constraint for residue 41
 &rst iat=673,671,669,652, &end
#
#  trans-omega constraint for residue 42
 &rst iat=697,687,685,673, &end
#
#  trans-omega constraint for residue 43
 &rst iat=703,701,699,697, &end
#
#  trans-omega constraint for residue 44
 &rst iat=714,712,710,703, &end
#
#  trans-omega constraint for residue 45
 &rst iat=721,719,717,714, &end
#
#  trans-omega constraint for residue 46
 &rst iat=733,731,729,721, &end
#
#  trans-omega constraint for residue 47
 &rst iat=757,747,745,733, &end
#
#  trans-omega constraint for residue 48
 &rst iat=763,761,759,757, &end
#
#  trans-omega constraint for residue 49
 &rst iat=775,773,771,763, &end
#
#  trans-omega constraint for residue 50
 &rst iat=791,789,787,775, &end
#
#  trans-omega constraint for residue 51
 &rst iat=807,805,803,791, &end
#
#  trans-omega constraint for residue 52
 &rst iat=824,822,820,807, &end
#
#  trans-omega constraint for residue 53
 &rst iat=839,837,835,824, &end
#
#  trans-omega constraint for residue 54
 &rst iat=849,847,845,839, &end
#
#  trans-omega constraint for residue 55
 &rst iat=869,867,865,849, &end
#
#  trans-omega constraint for residue 56
 &rst iat=888,886,884,869, &end
#
#  trans-omega constraint for residue 57
 &rst iat=910,908,906,888, &end
#
#  trans-omega constraint for residue 58
 &rst iat=920,918,916,910, &end
#
#  trans-omega constraint for residue 59
 &rst iat=941,939,937,920, &end
#
#  trans-omega constraint for residue 60
 &rst iat=965,963,961,941, &end
#
#  trans-omega constraint for residue 61
 &rst iat=975,973,971,965, &end
#
#  trans-omega constraint for residue 62
 &rst iat=994,992,990,975, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1006,1004,1002,994, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1017,1015,1013,1006, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1037,1035,1033,1017, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1061,1059,1057,1037, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1068,1066,1064,1061, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1080,1078,1076,1068, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1091,1089,1087,1080, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1101,1099,1097,1091, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1121,1119,1117,1101, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1142,1140,1138,1121, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1156,1154,1152,1142, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1180,1178,1176,1156, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1199,1197,1195,1180, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1220,1218,1216,1199, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1244,1242,1240,1220, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1263,1261,1259,1244, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1273,1271,1269,1263, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1289,1287,1285,1273, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1303,1301,1299,1289, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1317,1315,1313,1303, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1327,1325,1323,1317, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1349,1347,1345,1327, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1363,1361,1359,1349, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1384,1382,1380,1363, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1403,1401,1399,1384, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1419,1417,1415,1403, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1429,1427,1425,1419, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1446,1444,1442,1429, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1453,1451,1449,1446, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1477,1475,1473,1453, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1501,1499,1497,1477, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1520,1518,1516,1501, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1535,1533,1531,1520, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1554,1552,1550,1535, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1578,1568,1566,1554, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1584,1582,1580,1578, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1608,1606,1604,1584, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1615,1613,1611,1608, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1626,1624,1622,1615, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1643,1641,1639,1626, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1660,1658,1656,1643, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1677,1675,1673,1660, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1694,1692,1690,1677, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1711,1709,1707,1694, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   0.524   5.205   5.447
    2    H2   MET   1           H2       MET   1   1.792   4.735   6.380
    3    H3   MET   1           H3       MET   1   0.593   3.664   6.021
    4    HA   MET   1           HA       MET   1   1.151   3.713   3.705
    5    HB2  MET   1           2HB      MET   1   3.411   5.518   4.646
    6    HB3  MET   1           3HB      MET   1   3.262   4.817   3.021
    7    HG2  MET   1           2HG      MET   1   1.298   6.731   4.333
    8    HG3  MET   1           3HG      MET   1   2.452   7.128   3.061
    9    HE1  MET   1           1HE      MET   1  -0.619   7.842   2.958
   10    HE2  MET   1           2HE      MET   1   0.531   8.249   1.659
   11    HE3  MET   1           3HE      MET   1  -1.004   7.451   1.264
   12    H    SER   2           H        SER   2   2.935   2.394   2.780
   13    HA   SER   2           HA       SER   2   4.564   0.956   4.802
   14    HB2  SER   2           2HB      SER   2   2.678  -0.376   2.818
   15    HB3  SER   2           3HB      SER   2   3.816  -1.217   3.891
   16    HG   SER   2           HG       SER   2   1.693  -1.122   4.745
   17    H    GLU   3           H        GLU   3   6.227  -0.403   3.799
   18    HA   GLU   3           HA       GLU   3   7.371   0.949   1.464
   19    HB2  GLU   3           2HB      GLU   3   8.422  -1.315   3.207
   20    HB3  GLU   3           3HB      GLU   3   9.340  -0.474   1.954
   21    HG2  GLU   3           2HG      GLU   3   8.178   0.786   4.475
   22    HG3  GLU   3           3HG      GLU   3   9.877   0.413   4.179
   23    H    GLN   4           H        GLN   4   8.294  -0.292  -0.348
   24    HA   GLN   4           HA       GLN   4   6.349  -2.300  -1.279
   25    HB2  GLN   4           2HB      GLN   4   8.636  -0.821  -2.644
   26    HB3  GLN   4           3HB      GLN   4   7.598  -2.017  -3.443
   27    HG2  GLN   4           2HG      GLN   4   5.599  -0.644  -2.907
   28    HG3  GLN   4           3HG      GLN   4   6.645   0.572  -2.140
   29   HE21  GLN   4          2HE2      GLN   4   5.952  -1.088  -5.246
   30   HE22  GLN   4          1HE2      GLN   4   6.528   0.220  -6.266
   31    H    LEU   5           H        LEU   5   9.149  -2.419   0.490
   32    HA   LEU   5           HA       LEU   5   9.859  -5.088  -0.643
   33    HB2  LEU   5           2HB      LEU   5  11.685  -3.137   0.804
   34    HB3  LEU   5           3HB      LEU   5  12.123  -4.727   0.189
   35    HG   LEU   5           HG       LEU   5  13.053  -3.117  -1.261
   36   HD11  LEU   5          1HD1      LEU   5  12.029  -3.643  -3.430
   37   HD12  LEU   5          2HD1      LEU   5  12.169  -5.075  -2.400
   38   HD13  LEU   5          3HD1      LEU   5  10.586  -4.272  -2.611
   39   HD21  LEU   5          3HD2      LEU   5  10.336  -1.899  -1.825
   40   HD22  LEU   5          1HD2      LEU   5  11.523  -1.222  -0.677
   41   HD23  LEU   5          2HD2      LEU   5  11.922  -1.372  -2.401
   42    H    THR   6           H        THR   6  10.357  -6.725   0.842
   43    HA   THR   6           HA       THR   6   9.584  -6.258   3.671
   44    HB   THR   6           HB       THR   6   8.387  -8.414   1.886
   45    HG1  THR   6           1HG      THR   6   6.509  -7.156   2.050
   46   HG21  THR   6          1HG2      THR   6   6.750  -8.546   3.838
   47   HG22  THR   6          2HG2      THR   6   8.369  -9.186   4.146
   48   HG23  THR   6          3HG2      THR   6   7.920  -7.580   4.770
   49    H    ASP   7           H        ASP   7   9.965  -8.440   4.911
   50    HA   ASP   7           HA       ASP   7  12.692  -9.062   4.797
   51    HB2  ASP   7           2HB      ASP   7  12.142 -10.862   6.345
   52    HB3  ASP   7           3HB      ASP   7  11.261  -9.379   6.749
   53    H    GLN   8           H        GLN   8  10.138 -10.274   2.777
   54    HA   GLN   8           HA       GLN   8  11.287 -12.802   2.095
   55    HB2  GLN   8           2HB      GLN   8   8.961 -12.226   1.599
   56    HB3  GLN   8           3HB      GLN   8   9.482 -10.883   0.569
   57    HG2  GLN   8           2HG      GLN   8   8.819 -12.805  -0.797
   58    HG3  GLN   8           3HG      GLN   8  10.543 -12.477  -0.999
   59   HE21  GLN   8          2HE2      GLN   8  12.103 -13.896   0.021
   60   HE22  GLN   8          1HE2      GLN   8  11.648 -15.529   0.471
   61    H    VAL   9           H        VAL   9  11.484  -9.560   0.519
   62    HA   VAL   9           HA       VAL   9  13.461 -10.593  -1.383
   63    HB   VAL   9           HB       VAL   9  11.765  -9.156  -2.255
   64   HG11  VAL   9          1HG1      VAL   9  12.627  -7.073  -0.221
   65   HG12  VAL   9          2HG1      VAL   9  11.415  -6.862  -1.508
   66   HG13  VAL   9          3HG1      VAL   9  11.103  -8.006  -0.196
   67   HG21  VAL   9          3HG2      VAL   9  14.305  -7.495  -2.007
   68   HG22  VAL   9          1HG2      VAL   9  14.069  -8.834  -3.159
   69   HG23  VAL   9          2HG2      VAL   9  13.066  -7.369  -3.270
   70    H    LEU  10           H        LEU  10  13.405  -8.765   1.647
   71    HA   LEU  10           HA       LEU  10  16.046  -7.652   1.353
   72    HB2  LEU  10           2HB      LEU  10  13.993  -7.959   3.506
   73    HB3  LEU  10           3HB      LEU  10  15.672  -7.758   4.024
   74    HG   LEU  10           HG       LEU  10  15.910  -5.700   2.788
   75   HD11  LEU  10          1HD1      LEU  10  13.990  -4.625   1.662
   76   HD12  LEU  10          2HD1      LEU  10  14.481  -6.123   0.853
   77   HD13  LEU  10          3HD1      LEU  10  13.034  -6.106   1.901
   78   HD21  LEU  10          3HD2      LEU  10  13.312  -5.766   4.381
   79   HD22  LEU  10          1HD2      LEU  10  14.950  -5.602   5.061
   80   HD23  LEU  10          2HD2      LEU  10  14.280  -4.310   4.039
   81    H    VAL  11           H        VAL  11  14.809 -10.832   2.424
   82    HA   VAL  11           HA       VAL  11  17.461 -11.556   3.446
   83    HB   VAL  11           HB       VAL  11  14.900 -13.129   3.044
   84   HG11  VAL  11          1HG1      VAL  11  17.606 -14.029   4.141
   85   HG12  VAL  11          2HG1      VAL  11  16.085 -14.934   4.313
   86   HG13  VAL  11          3HG1      VAL  11  16.778 -14.680   2.705
   87   HG21  VAL  11          3HG2      VAL  11  15.014 -11.484   4.947
   88   HG22  VAL  11          1HG2      VAL  11  14.948 -13.163   5.513
   89   HG23  VAL  11          2HG2      VAL  11  16.496 -12.286   5.511
   90    H    GLU  12           H        GLU  12  15.641 -11.811   0.389
   91    HA   GLU  12           HA       GLU  12  17.508 -13.670  -0.816
   92    HB2  GLU  12           2HB      GLU  12  15.523 -11.652  -1.928
   93    HB3  GLU  12           3HB      GLU  12  16.545 -12.667  -2.960
   94    HG2  GLU  12           2HG      GLU  12  15.643 -14.695  -1.901
   95    HG3  GLU  12           3HG      GLU  12  14.591 -13.708  -0.872
   96    H    ARG  13           H        ARG  13  17.349 -10.120  -0.479
   97    HA   ARG  13           HA       ARG  13  19.382  -9.635  -2.457
   98    HB2  ARG  13           2HB      ARG  13  17.627  -8.029  -1.887
   99    HB3  ARG  13           3HB      ARG  13  18.278  -7.858  -0.242
  100    HG2  ARG  13           2HG      ARG  13  20.299  -6.872  -1.065
  101    HG3  ARG  13           3HG      ARG  13  19.939  -7.368  -2.742
  102    HD2  ARG  13           2HD      ARG  13  17.929  -5.868  -2.683
  103    HD3  ARG  13           3HD      ARG  13  18.477  -5.260  -1.103
  104    HE   ARG  13           HE       ARG  13  20.634  -5.058  -2.942
  105   HH11  ARG  13          1HH1      ARG  13  17.465  -3.608  -2.359
  106   HH12  ARG  13          2HH1      ARG  13  17.877  -2.112  -3.172
  107   HH21  ARG  13          1HH2      ARG  13  21.126  -3.149  -4.011
  108   HH22  ARG  13          2HH2      ARG  13  19.962  -1.842  -4.089
  109    H    VAL  14           H        VAL  14  19.478 -10.030   1.117
  110    HA   VAL  14           HA       VAL  14  22.273  -9.308   1.288
  111    HB   VAL  14           HB       VAL  14  22.158 -10.250   3.538
  112   HG11  VAL  14          1HG1      VAL  14  19.784  -8.542   2.697
  113   HG12  VAL  14          2HG1      VAL  14  20.297  -8.804   4.376
  114   HG13  VAL  14          3HG1      VAL  14  21.389  -7.987   3.219
  115   HG21  VAL  14          3HG2      VAL  14  19.358 -11.114   2.756
  116   HG22  VAL  14          1HG2      VAL  14  20.719 -12.182   3.202
  117   HG23  VAL  14          2HG2      VAL  14  20.014 -11.083   4.409
  118    H    GLN  15           H        GLN  15  20.532 -12.272   0.453
  119    HA   GLN  15           HA       GLN  15  22.885 -13.971   0.739
  120    HB2  GLN  15           2HB      GLN  15  20.170 -14.336  -0.568
  121    HB3  GLN  15           3HB      GLN  15  21.418 -15.594  -0.529
  122    HG2  GLN  15           2HG      GLN  15  21.436 -15.561   1.928
  123    HG3  GLN  15           3HG      GLN  15  20.255 -14.264   1.959
  124   HE21  GLN  15          2HE2      GLN  15  19.588 -16.505   3.353
  125   HE22  GLN  15          1HE2      GLN  15  18.359 -17.423   2.511
  126    H    LYS  16           H        LYS  16  21.645 -11.739  -1.655
  127    HA   LYS  16           HA       LYS  16  23.263 -12.828  -3.812
  128    HB2  LYS  16           2HB      LYS  16  21.049 -11.013  -3.516
  129    HB3  LYS  16           3HB      LYS  16  22.385 -10.121  -4.258
  130    HG2  LYS  16           2HG      LYS  16  21.129 -11.149  -6.036
  131    HG3  LYS  16           3HG      LYS  16  22.679 -12.004  -5.875
  132    HD2  LYS  16           2HD      LYS  16  21.012 -13.682  -6.171
  133    HD3  LYS  16           3HD      LYS  16  21.441 -13.744  -4.457
  134    HE2  LYS  16           2HE      LYS  16  19.448 -12.373  -3.915
  135    HE3  LYS  16           3HE      LYS  16  19.026 -12.309  -5.639
  136    HZ1  LYS  16           3HZ      LYS  16  18.834 -14.699  -5.604
  137    HZ2  LYS  16           1HZ      LYS  16  19.188 -14.746  -3.999
  138    HZ3  LYS  16           2HZ      LYS  16  17.807 -14.020  -4.515
  139    H    GLY  17           H        GLY  17  23.978 -11.079  -1.031
  140    HA2  GLY  17           2HA      GLY  17  26.330 -10.743  -0.587
  141    HA3  GLY  17           3HA      GLY  17  26.558 -10.225  -2.261
  142    H    ASP  18           H        ASP  18  23.691  -8.789  -1.276
  143    HA   ASP  18           HA       ASP  18  25.064  -6.221  -0.782
  144    HB2  ASP  18           2HB      ASP  18  22.265  -7.115  -1.464
  145    HB3  ASP  18           3HB      ASP  18  22.521  -5.515  -0.781
  146    H    GLN  19           H        GLN  19  25.944  -6.724   1.311
  147    HA   GLN  19           HA       GLN  19  24.347  -7.557   3.514
  148    HB2  GLN  19           2HB      GLN  19  26.798  -7.717   3.334
  149    HB3  GLN  19           3HB      GLN  19  26.950  -5.963   3.425
  150    HG2  GLN  19           2HG      GLN  19  25.546  -7.555   5.602
  151    HG3  GLN  19           3HG      GLN  19  27.303  -7.412   5.577
  152   HE21  GLN  19          2HE2      GLN  19  25.899  -6.474   7.774
  153   HE22  GLN  19          1HE2      GLN  19  25.986  -4.728   7.804
  154    H    LYS  20           H        LYS  20  24.632  -4.492   1.885
  155    HA   LYS  20           HA       LYS  20  23.876  -2.731   3.988
  156    HB2  LYS  20           2HB      LYS  20  23.275  -1.224   2.132
  157    HB3  LYS  20           3HB      LYS  20  24.829  -2.029   1.842
  158    HG2  LYS  20           2HG      LYS  20  23.609  -3.729   0.416
  159    HG3  LYS  20           3HG      LYS  20  22.138  -2.746   0.602
  160    HD2  LYS  20           2HD      LYS  20  23.328  -0.812  -0.407
  161    HD3  LYS  20           3HD      LYS  20  24.792  -1.816  -0.572
  162    HE2  LYS  20           2HE      LYS  20  23.530  -3.402  -1.995
  163    HE3  LYS  20           3HE      LYS  20  22.099  -2.362  -1.878
  164    HZ1  LYS  20           3HZ      LYS  20  23.361  -1.954  -3.894
  165    HZ2  LYS  20           1HZ      LYS  20  23.358  -0.616  -2.942
  166    HZ3  LYS  20           2HZ      LYS  20  24.695  -1.564  -3.022
  167    H    ALA  21           H        ALA  21  22.028  -5.088   2.142
  168    HA   ALA  21           HA       ALA  21  19.468  -3.868   2.838
  169    HB1  ALA  21           1HB      ALA  21  20.149  -6.579   1.642
  170    HB2  ALA  21           2HB      ALA  21  18.517  -5.876   1.785
  171    HB3  ALA  21           3HB      ALA  21  19.736  -5.105   0.739
  172    H    PHE  22           H        PHE  22  21.762  -6.013   4.375
  173    HA   PHE  22           HA       PHE  22  19.802  -7.259   6.131
  174    HB2  PHE  22           2HB      PHE  22  21.974  -8.332   5.574
  175    HB3  PHE  22           3HB      PHE  22  22.822  -7.027   6.391
  176    HD1  PHE  22           HD1      PHE  22  20.046  -9.503   7.009
  177    HD2  PHE  22           HD2      PHE  22  23.407  -7.367   8.634
  178    HE1  PHE  22           HE1      PHE  22  19.798 -10.739   9.132
  179    HE2  PHE  22           HE2      PHE  22  23.152  -8.594  10.774
  180    HZ   PHE  22           HZ       PHE  22  21.351 -10.289  11.024
  181    H    ASN  23           H        ASN  23  21.978  -4.429   6.191
  182    HA   ASN  23           HA       ASN  23  21.577  -3.698   8.919
  183    HB2  ASN  23           2HB      ASN  23  23.355  -2.709   7.651
  184    HB3  ASN  23           3HB      ASN  23  22.252  -2.234   6.350
  185   HD21  ASN  23          2HD2      ASN  23  21.225  -0.291   6.401
  186   HD22  ASN  23          1HD2      ASN  23  21.377   0.860   7.708
  187    H    LEU  24           H        LEU  24  19.801  -2.922   5.914
  188    HA   LEU  24           HA       LEU  24  17.846  -1.260   7.257
  189    HB2  LEU  24           2HB      LEU  24  17.854  -2.627   4.539
  190    HB3  LEU  24           3HB      LEU  24  16.668  -1.417   5.062
  191    HG   LEU  24           HG       LEU  24  19.673  -0.928   4.877
  192   HD11  LEU  24          1HD1      LEU  24  17.402  -0.107   3.014
  193   HD12  LEU  24          2HD1      LEU  24  19.110   0.376   2.861
  194   HD13  LEU  24          3HD1      LEU  24  18.651  -1.331   2.672
  195   HD21  LEU  24          3HD2      LEU  24  18.573   0.545   6.512
  196   HD22  LEU  24          1HD2      LEU  24  19.001   1.464   5.063
  197   HD23  LEU  24          2HD2      LEU  24  17.319   0.959   5.315
  198    H    LEU  25           H        LEU  25  18.248  -4.702   6.848
  199    HA   LEU  25           HA       LEU  25  15.416  -5.293   7.282
  200    HB2  LEU  25           2HB      LEU  25  16.777  -6.743   5.857
  201    HB3  LEU  25           3HB      LEU  25  17.921  -7.020   7.171
  202    HG   LEU  25           HG       LEU  25  16.144  -8.163   8.479
  203   HD11  LEU  25          1HD1      LEU  25  14.465  -7.767   5.964
  204   HD12  LEU  25          2HD1      LEU  25  14.027  -8.783   7.357
  205   HD13  LEU  25          3HD1      LEU  25  14.150  -7.032   7.563
  206   HD21  LEU  25          3HD2      LEU  25  17.630  -9.441   6.998
  207   HD22  LEU  25          1HD2      LEU  25  16.008 -10.164   7.024
  208   HD23  LEU  25          2HD2      LEU  25  16.514  -9.179   5.632
  209    H    VAL  26           H        VAL  26  18.472  -5.489   9.252
  210    HA   VAL  26           HA       VAL  26  17.059  -6.705  11.430
  211    HB   VAL  26           HB       VAL  26  18.993  -6.285  12.786
  212   HG11  VAL  26          1HG1      VAL  26  20.697  -7.421  11.481
  213   HG12  VAL  26          2HG1      VAL  26  19.094  -8.128  11.175
  214   HG13  VAL  26          3HG1      VAL  26  19.846  -7.051   9.972
  215   HG21  VAL  26          3HG2      VAL  26  20.950  -5.030  11.931
  216   HG22  VAL  26          1HG2      VAL  26  19.982  -4.503  10.531
  217   HG23  VAL  26          2HG2      VAL  26  19.533  -4.003  12.187
  218    H    VAL  27           H        VAL  27  17.354  -3.320  10.420
  219    HA   VAL  27           HA       VAL  27  16.831  -2.296  13.060
  220    HB   VAL  27           HB       VAL  27  17.936  -0.978  11.330
  221   HG11  VAL  27          1HG1      VAL  27  16.648   0.041   9.510
  222   HG12  VAL  27          2HG1      VAL  27  16.654  -1.726   9.364
  223   HG13  VAL  27          3HG1      VAL  27  15.207  -0.893   9.979
  224   HG21  VAL  27          3HG2      VAL  27  15.293   0.256  12.207
  225   HG22  VAL  27          1HG2      VAL  27  16.768   0.138  13.207
  226   HG23  VAL  27          2HG2      VAL  27  16.765   1.124  11.734
  227    H    ARG  28           H        ARG  28  14.758  -3.546  10.473
  228    HA   ARG  28           HA       ARG  28  12.285  -2.475  11.490
  229    HB2  ARG  28           2HB      ARG  28  12.714  -5.111  10.021
  230    HB3  ARG  28           3HB      ARG  28  11.229  -4.151  10.092
  231    HG2  ARG  28           2HG      ARG  28  12.400  -2.329   8.820
  232    HG3  ARG  28           3HG      ARG  28  13.847  -3.370   8.755
  233    HD2  ARG  28           2HD      ARG  28  12.695  -3.589   6.665
  234    HD3  ARG  28           3HD      ARG  28  12.509  -5.104   7.561
  235    HE   ARG  28           HE       ARG  28  10.241  -3.881   8.279
  236   HH11  ARG  28          1HH1      ARG  28  11.751  -4.060   5.084
  237   HH12  ARG  28          2HH1      ARG  28  10.230  -3.953   4.228
  238   HH21  ARG  28          1HH2      ARG  28   8.273  -3.757   7.138
  239   HH22  ARG  28          2HH2      ARG  28   8.268  -3.793   5.391
  240    H    TYR  29           H        TYR  29  14.330  -5.236  12.263
  241    HA   TYR  29           HA       TYR  29  12.294  -6.258  14.161
  242    HB2  TYR  29           2HB      TYR  29  14.800  -7.478  12.960
  243    HB3  TYR  29           3HB      TYR  29  13.819  -8.246  14.212
  244    HD1  TYR  29           HD2      TYR  29  13.818  -7.065  10.693
  245    HD2  TYR  29           HD1      TYR  29  11.703  -9.249  13.729
  246    HE1  TYR  29           HE2      TYR  29  12.238  -7.889   8.980
  247    HE2  TYR  29           HE1      TYR  29  10.138 -10.120  12.031
  248    HH   TYR  29           HH       TYR  29   9.533 -10.105   9.797
  249    H    GLN  30           H        GLN  30  15.014  -4.226  14.210
  250    HA   GLN  30           HA       GLN  30  16.380  -5.142  16.526
  251    HB2  GLN  30           2HB      GLN  30  17.207  -3.506  14.845
  252    HB3  GLN  30           3HB      GLN  30  16.060  -2.306  15.463
  253    HG2  GLN  30           2HG      GLN  30  17.180  -2.336  17.646
  254    HG3  GLN  30           3HG      GLN  30  18.245  -3.656  17.100
  255   HE21  GLN  30          2HE2      GLN  30  19.439  -3.123  14.924
  256   HE22  GLN  30          1HE2      GLN  30  20.129  -1.516  14.825
  257    H    HIS  31           H        HIS  31  13.388  -3.288  16.123
  258    HA   HIS  31           HA       HIS  31  13.235  -2.706  19.002
  259    HB2  HIS  31           2HB      HIS  31  12.378  -1.123  17.304
  260    HB3  HIS  31           3HB      HIS  31  11.230  -2.349  16.749
  261    HD2  HIS  31           HD2      HIS  31  12.060  -0.428  20.060
  262    HE1  HIS  31           HE1      HIS  31   7.874  -1.161  19.997
  263    HE2  HIS  31           HE2      HIS  31   9.782  -0.058  21.284
  264    H    LYS  32           H        LYS  32  12.064  -5.119  16.676
  265    HA   LYS  32           HA       LYS  32   9.996  -6.130  18.442
  266    HB2  LYS  32           2HB      LYS  32  11.264  -7.350  15.961
  267    HB3  LYS  32           3HB      LYS  32   9.763  -7.888  16.744
  268    HG2  LYS  32           2HG      LYS  32   8.743  -5.670  16.317
  269    HG3  LYS  32           3HG      LYS  32  10.228  -5.142  15.499
  270    HD2  LYS  32           2HD      LYS  32   9.971  -6.989  13.857
  271    HD3  LYS  32           3HD      LYS  32   8.466  -7.480  14.667
  272    HE2  LYS  32           2HE      LYS  32   7.491  -5.249  14.206
  273    HE3  LYS  32           3HE      LYS  32   8.996  -4.756  13.408
  274    HZ1  LYS  32           3HZ      LYS  32   7.355  -5.472  11.823
  275    HZ2  LYS  32           1HZ      LYS  32   8.628  -6.515  11.805
  276    HZ3  LYS  32           2HZ      LYS  32   7.219  -6.940  12.544
  277    H    VAL  33           H        VAL  33  13.353  -7.192  17.636
  278    HA   VAL  33           HA       VAL  33  12.989  -9.555  19.306
  279    HB   VAL  33           HB       VAL  33  15.212 -10.161  18.742
  280   HG11  VAL  33          1HG1      VAL  33  13.467 -10.496  17.021
  281   HG12  VAL  33          2HG1      VAL  33  13.879  -8.921  16.301
  282   HG13  VAL  33          3HG1      VAL  33  15.072 -10.236  16.299
  283   HG21  VAL  33          3HG2      VAL  33  15.560  -7.385  17.559
  284   HG22  VAL  33          1HG2      VAL  33  16.391  -8.070  18.973
  285   HG23  VAL  33          2HG2      VAL  33  16.684  -8.752  17.363
  286    H    ALA  34           H        ALA  34  14.243  -6.270  19.723
  287    HA   ALA  34           HA       ALA  34  15.700  -6.858  22.132
  288    HB1  ALA  34           1HB      ALA  34  15.637  -4.430  22.484
  289    HB2  ALA  34           2HB      ALA  34  16.072  -4.808  20.802
  290    HB3  ALA  34           3HB      ALA  34  14.423  -4.261  21.195
  291    H    SER  35           H        SER  35  12.302  -6.466  21.353
  292    HA   SER  35           HA       SER  35  11.451  -5.832  24.055
  293    HB2  SER  35           2HB      SER  35  10.177  -5.230  21.996
  294    HB3  SER  35           3HB      SER  35   9.901  -6.959  21.691
  295    HG   SER  35           HG       SER  35   8.172  -5.958  22.827
  296    H    LEU  36           H        LEU  36  11.605  -8.792  22.022
  297    HA   LEU  36           HA       LEU  36  10.441 -10.381  24.173
  298    HB2  LEU  36           2HB      LEU  36  10.592 -12.239  22.671
  299    HB3  LEU  36           3HB      LEU  36   9.981 -10.825  21.807
  300    HG   LEU  36           HG       LEU  36  12.468 -10.482  21.068
  301   HD11  LEU  36          1HD1      LEU  36  13.527 -12.260  22.453
  302   HD12  LEU  36          2HD1      LEU  36  12.445 -13.467  21.718
  303   HD13  LEU  36          3HD1      LEU  36  13.665 -12.628  20.729
  304   HD21  LEU  36          3HD2      LEU  36  10.777 -12.801  20.042
  305   HD22  LEU  36          1HD2      LEU  36  10.564 -11.090  19.600
  306   HD23  LEU  36          2HD2      LEU  36  12.045 -11.949  19.127
  307    H    VAL  37           H        VAL  37  13.704  -9.504  23.195
  308    HA   VAL  37           HA       VAL  37  14.822 -11.740  24.730
  309    HB   VAL  37           HB       VAL  37  15.757 -10.869  22.539
  310   HG11  VAL  37          1HG1      VAL  37  15.756  -8.416  23.393
  311   HG12  VAL  37          2HG1      VAL  37  17.228  -8.891  24.288
  312   HG13  VAL  37          3HG1      VAL  37  17.198  -9.004  22.522
  313   HG21  VAL  37          3HG2      VAL  37  17.649 -11.097  24.905
  314   HG22  VAL  37          1HG2      VAL  37  16.911 -12.464  24.033
  315   HG23  VAL  37          2HG2      VAL  37  18.042 -11.379  23.196
  316    H    SER  38           H        SER  38  13.860  -8.448  25.334
  317    HA   SER  38           HA       SER  38  15.523  -7.998  27.631
  318    HB2  SER  38           2HB      SER  38  14.266  -6.221  26.426
  319    HB3  SER  38           3HB      SER  38  12.747  -6.914  27.019
  320    HG   SER  38           HG       SER  38  13.570  -6.583  29.153
  321    H    ARG  39           H        ARG  39  13.071 -10.285  27.020
  322    HA   ARG  39           HA       ARG  39  12.232 -10.541  29.832
  323    HB2  ARG  39           2HB      ARG  39  11.617 -12.269  27.408
  324    HB3  ARG  39           3HB      ARG  39  10.867 -12.398  29.006
  325    HG2  ARG  39           2HG      ARG  39  10.035 -10.042  28.759
  326    HG3  ARG  39           3HG      ARG  39  10.660 -10.035  27.093
  327    HD2  ARG  39           2HD      ARG  39   8.584 -11.969  28.207
  328    HD3  ARG  39           3HD      ARG  39   8.239 -10.572  27.184
  329    HE   ARG  39           HE       ARG  39   9.229 -11.655  25.321
  330   HH11  ARG  39          1HH1      ARG  39   9.201 -13.714  28.206
  331   HH12  ARG  39          2HH1      ARG  39   9.499 -15.174  27.292
  332   HH21  ARG  39          1HH2      ARG  39   9.559 -13.594  24.171
  333   HH22  ARG  39          2HH2      ARG  39   9.697 -15.108  25.033
  334    H    TYR  40           H        TYR  40  14.961 -11.457  28.069
  335    HA   TYR  40           HA       TYR  40  15.342 -13.857  29.797
  336    HB2  TYR  40           2HB      TYR  40  16.294 -13.405  26.955
  337    HB3  TYR  40           3HB      TYR  40  16.685 -14.807  27.954
  338    HD1  TYR  40           HD1      TYR  40  14.799 -16.313  28.769
  339    HD2  TYR  40           HD2      TYR  40  14.276 -13.347  25.697
  340    HE1  TYR  40           HE1      TYR  40  12.711 -17.439  28.036
  341    HE2  TYR  40           HE2      TYR  40  12.202 -14.465  24.955
  342    HH   TYR  40           HH       TYR  40  10.957 -17.428  26.552
  343    H    VAL  41           H        VAL  41  16.524 -10.744  28.931
  344    HA   VAL  41           HA       VAL  41  18.766 -11.137  30.808
  345    HB   VAL  41           HB       VAL  41  20.206  -9.671  29.307
  346   HG11  VAL  41          1HG1      VAL  41  21.078 -11.553  28.029
  347   HG12  VAL  41          2HG1      VAL  41  20.620 -12.075  29.663
  348   HG13  VAL  41          3HG1      VAL  41  19.572 -12.463  28.279
  349   HG21  VAL  41          3HG2      VAL  41  18.324 -10.652  27.133
  350   HG22  VAL  41          1HG2      VAL  41  18.403  -8.975  27.729
  351   HG23  VAL  41          2HG2      VAL  41  19.806  -9.704  26.914
  352    HA   PRO  42           HA       PRO  42  17.243  -7.312  32.342
  353    HB2  PRO  42           2HB      PRO  42  19.458  -6.137  33.422
  354    HB3  PRO  42           3HB      PRO  42  18.711  -7.620  34.108
  355    HG2  PRO  42           2HG      PRO  42  21.057  -7.447  32.185
  356    HG3  PRO  42           3HG      PRO  42  20.963  -8.355  33.735
  357    HD2  PRO  42           2HD      PRO  42  20.501  -9.586  31.372
  358    HD3  PRO  42           3HD      PRO  42  19.488  -9.962  32.796
  359    H    SER  43           H        SER  43  17.441  -4.919  32.122
  360    HA   SER  43           HA       SER  43  17.623  -4.265  29.363
  361    HB2  SER  43           2HB      SER  43  17.099  -1.966  30.149
  362    HB3  SER  43           3HB      SER  43  16.050  -3.192  30.888
  363    HG   SER  43           HG       SER  43  16.883  -1.694  32.410
  364    H    GLY  44           H        GLY  44  20.132  -4.472  31.697
  365    HA2  GLY  44           2HA      GLY  44  21.802  -2.383  30.471
  366    HA3  GLY  44           3HA      GLY  44  22.233  -3.477  31.805
  367    H    ASP  45           H        ASP  45  21.167  -5.812  30.025
  368    HA   ASP  45           HA       ASP  45  23.618  -6.041  28.338
  369    HB2  ASP  45           2HB      ASP  45  22.087  -8.163  29.874
  370    HB3  ASP  45           3HB      ASP  45  23.434  -8.473  28.767
  371    H    VAL  46           H        VAL  46  20.295  -5.590  28.153
  372    HA   VAL  46           HA       VAL  46  19.639  -7.533  26.166
  373    HB   VAL  46           HB       VAL  46  18.037  -6.334  27.653
  374   HG11  VAL  46          1HG1      VAL  46  18.321  -4.090  25.610
  375   HG12  VAL  46          2HG1      VAL  46  17.078  -4.222  26.877
  376   HG13  VAL  46          3HG1      VAL  46  18.772  -3.997  27.338
  377   HG21  VAL  46          3HG2      VAL  46  16.278  -6.186  25.906
  378   HG22  VAL  46          1HG2      VAL  46  17.534  -6.372  24.668
  379   HG23  VAL  46          2HG2      VAL  46  17.251  -7.673  25.859
  380    HA   PRO  47           HA       PRO  47  20.492  -4.222  22.907
  381    HB2  PRO  47           2HB      PRO  47  22.422  -2.355  23.198
  382    HB3  PRO  47           3HB      PRO  47  20.786  -2.134  23.903
  383    HG2  PRO  47           2HG      PRO  47  23.285  -3.158  25.289
  384    HG3  PRO  47           3HG      PRO  47  22.176  -1.860  25.839
  385    HD2  PRO  47           2HD      PRO  47  21.987  -4.439  26.704
  386    HD3  PRO  47           3HD      PRO  47  20.539  -3.413  26.483
  387    H    ASP  48           H        ASP  48  23.107  -5.560  24.880
  388    HA   ASP  48           HA       ASP  48  24.986  -5.727  22.666
  389    HB2  ASP  48           2HB      ASP  48  25.641  -5.456  25.066
  390    HB3  ASP  48           3HB      ASP  48  24.989  -7.067  25.393
  391    H    VAL  49           H        VAL  49  22.513  -7.774  24.161
  392    HA   VAL  49           HA       VAL  49  23.388 -10.184  22.767
  393    HB   VAL  49           HB       VAL  49  20.965  -9.458  24.449
  394   HG11  VAL  49          1HG1      VAL  49  21.728 -12.165  23.273
  395   HG12  VAL  49          2HG1      VAL  49  20.453 -11.871  24.479
  396   HG13  VAL  49          3HG1      VAL  49  20.290 -11.203  22.842
  397   HG21  VAL  49          3HG2      VAL  49  23.143  -9.656  25.630
  398   HG22  VAL  49          1HG2      VAL  49  22.031 -10.970  26.069
  399   HG23  VAL  49          2HG2      VAL  49  23.366 -11.273  24.926
  400    H    VAL  50           H        VAL  50  21.194  -7.468  22.134
  401    HA   VAL  50           HA       VAL  50  19.781  -8.779  19.970
  402    HB   VAL  50           HB       VAL  50  20.233  -5.882  20.763
  403   HG11  VAL  50          1HG1      VAL  50  18.529  -6.983  18.487
  404   HG12  VAL  50          2HG1      VAL  50  18.470  -5.313  19.100
  405   HG13  VAL  50          3HG1      VAL  50  19.946  -5.920  18.318
  406   HG21  VAL  50          3HG2      VAL  50  17.885  -5.992  21.407
  407   HG22  VAL  50          1HG2      VAL  50  17.731  -7.626  20.712
  408   HG23  VAL  50          2HG2      VAL  50  18.726  -7.372  22.153
  409    H    GLN  51           H        GLN  51  22.832  -6.884  20.245
  410    HA   GLN  51           HA       GLN  51  23.166  -6.778  17.378
  411    HB2  GLN  51           2HB      GLN  51  24.260  -5.224  19.074
  412    HB3  GLN  51           3HB      GLN  51  25.298  -6.586  19.532
  413    HG2  GLN  51           2HG      GLN  51  26.529  -5.303  17.904
  414    HG3  GLN  51           3HG      GLN  51  25.984  -6.771  17.086
  415   HE21  GLN  51          2HE2      GLN  51  26.618  -5.124  15.271
  416   HE22  GLN  51          1HE2      GLN  51  25.289  -4.174  14.634
  417    H    GLU  52           H        GLU  52  24.317  -9.019  19.983
  418    HA   GLU  52           HA       GLU  52  25.957 -10.541  18.196
  419    HB2  GLU  52           2HB      GLU  52  26.138 -10.585  20.685
  420    HB3  GLU  52           3HB      GLU  52  24.573 -11.420  20.769
  421    HG2  GLU  52           2HG      GLU  52  25.463 -13.304  19.478
  422    HG3  GLU  52           3HG      GLU  52  27.002 -12.459  19.259
  423    H    ALA  53           H        ALA  53  22.478 -10.536  18.927
  424    HA   ALA  53           HA       ALA  53  21.952 -13.081  17.687
  425    HB1  ALA  53           1HB      ALA  53  20.145 -10.683  18.192
  426    HB2  ALA  53           2HB      ALA  53  19.605 -12.319  17.759
  427    HB3  ALA  53           3HB      ALA  53  20.420 -12.038  19.316
  428    H    PHE  54           H        PHE  54  22.372  -9.766  16.459
  429    HA   PHE  54           HA       PHE  54  21.332 -10.533  13.816
  430    HB2  PHE  54           2HB      PHE  54  22.631  -8.012  14.901
  431    HB3  PHE  54           3HB      PHE  54  22.118  -8.203  13.233
  432    HD1  PHE  54           HD1      PHE  54  19.517  -9.813  13.813
  433    HD2  PHE  54           HD2      PHE  54  21.163  -6.208  15.517
  434    HE1  PHE  54           HE1      PHE  54  17.256  -9.057  14.410
  435    HE2  PHE  54           HE2      PHE  54  18.875  -5.443  16.073
  436    HZ   PHE  54           HZ       PHE  54  16.922  -6.871  15.525
  437    H    ILE  55           H        ILE  55  24.511 -10.188  15.409
  438    HA   ILE  55           HA       ILE  55  26.004 -10.499  12.947
  439    HB   ILE  55           HB       ILE  55  26.715 -11.004  15.859
  440   HG12  ILE  55          2HG1      ILE  55  27.393  -8.669  14.014
  441   HG13  ILE  55          3HG1      ILE  55  26.110  -8.639  15.222
  442   HG21  ILE  55          1HG2      ILE  55  29.071 -10.985  15.100
  443   HG22  ILE  55          2HG2      ILE  55  28.179 -12.297  14.335
  444   HG23  ILE  55          3HG2      ILE  55  28.528 -10.818  13.411
  445   HD11  ILE  55          3HD1      ILE  55  27.799  -9.092  17.004
  446   HD12  ILE  55          1HD1      ILE  55  29.090  -8.991  15.777
  447   HD13  ILE  55          2HD1      ILE  55  28.095  -7.574  16.131
  448    H    LYS  56           H        LYS  56  24.623 -12.677  15.415
  449    HA   LYS  56           HA       LYS  56  25.778 -15.082  14.289
  450    HB2  LYS  56           2HB      LYS  56  25.164 -14.790  16.669
  451    HB3  LYS  56           3HB      LYS  56  23.460 -14.618  16.209
  452    HG2  LYS  56           2HG      LYS  56  23.512 -16.923  15.250
  453    HG3  LYS  56           3HG      LYS  56  25.196 -17.088  15.791
  454    HD2  LYS  56           2HD      LYS  56  22.805 -16.521  17.597
  455    HD3  LYS  56           3HD      LYS  56  23.576 -18.110  17.390
  456    HE2  LYS  56           2HE      LYS  56  25.707 -17.184  18.244
  457    HE3  LYS  56           3HE      LYS  56  24.941 -15.595  18.433
  458    HZ1  LYS  56           3HZ      LYS  56  24.959 -16.777  20.497
  459    HZ2  LYS  56           1HZ      LYS  56  23.409 -16.581  19.981
  460    HZ3  LYS  56           2HZ      LYS  56  24.142 -18.048  19.846
  461    H    ALA  57           H        ALA  57  22.746 -13.236  13.861
  462    HA   ALA  57           HA       ALA  57  21.379 -15.346  12.465
  463    HB1  ALA  57           1HB      ALA  57  20.982 -12.326  12.458
  464    HB2  ALA  57           2HB      ALA  57  19.866 -13.499  11.729
  465    HB3  ALA  57           3HB      ALA  57  20.128 -13.515  13.478
  466    H    TYR  58           H        TYR  58  23.379 -12.526  11.341
  467    HA   TYR  58           HA       TYR  58  22.799 -12.876   8.597
  468    HB2  TYR  58           2HB      TYR  58  23.903 -10.906   9.670
  469    HB3  TYR  58           3HB      TYR  58  25.357 -11.879   9.903
  470    HD1  TYR  58           HD1      TYR  58  22.979 -10.884   7.159
  471    HD2  TYR  58           HD2      TYR  58  27.025 -11.787   8.294
  472    HE1  TYR  58           HE1      TYR  58  23.751 -10.236   4.891
  473    HE2  TYR  58           HE2      TYR  58  27.809 -11.170   6.028
  474    HH   TYR  58           HH       TYR  58  25.540 -10.065   3.470
  475    H    ARG  59           H        ARG  59  25.273 -14.387  10.673
  476    HA   ARG  59           HA       ARG  59  26.688 -15.692   8.520
  477    HB2  ARG  59           2HB      ARG  59  26.548 -16.165  11.522
  478    HB3  ARG  59           3HB      ARG  59  27.708 -16.954  10.436
  479    HG2  ARG  59           2HG      ARG  59  28.697 -14.826   9.823
  480    HG3  ARG  59           3HG      ARG  59  27.440 -13.919  10.696
  481    HD2  ARG  59           2HD      ARG  59  28.156 -14.835  12.819
  482    HD3  ARG  59           3HD      ARG  59  29.304 -15.916  12.007
  483    HE   ARG  59           HE       ARG  59  29.944 -13.260  11.254
  484   HH11  ARG  59          1HH1      ARG  59  29.898 -15.229  14.192
  485   HH12  ARG  59          2HH1      ARG  59  31.177 -14.323  14.960
  486   HH21  ARG  59          1HH2      ARG  59  31.611 -12.096  12.276
  487   HH22  ARG  59          2HH2      ARG  59  32.139 -12.545  13.880
  488    H    ALA  60           H        ALA  60  23.845 -16.462  10.440
  489    HA   ALA  60           HA       ALA  60  23.770 -19.235   9.418
  490    HB1  ALA  60           1HB      ALA  60  21.916 -17.708  11.286
  491    HB2  ALA  60           2HB      ALA  60  21.827 -19.445  10.899
  492    HB3  ALA  60           3HB      ALA  60  23.227 -18.808  11.778
  493    H    LEU  61           H        LEU  61  22.722 -16.115   8.445
  494    HA   LEU  61           HA       LEU  61  20.176 -16.877   7.314
  495    HB2  LEU  61           2HB      LEU  61  20.900 -14.572   8.144
  496    HB3  LEU  61           3HB      LEU  61  21.905 -14.457   6.687
  497    HG   LEU  61           HG       LEU  61  19.810 -14.826   5.322
  498   HD11  LEU  61          1HD1      LEU  61  18.555 -14.496   8.076
  499   HD12  LEU  61          2HD1      LEU  61  17.656 -14.343   6.544
  500   HD13  LEU  61          3HD1      LEU  61  18.376 -15.901   7.004
  501   HD21  LEU  61          3HD2      LEU  61  19.835 -12.484   7.282
  502   HD22  LEU  61          1HD2      LEU  61  20.763 -12.588   5.763
  503   HD23  LEU  61          2HD2      LEU  61  18.984 -12.523   5.719
  504    H    ASP  62           H        ASP  62  23.530 -16.853   6.239
  505    HA   ASP  62           HA       ASP  62  23.012 -17.006   3.415
  506    HB2  ASP  62           2HB      ASP  62  25.184 -16.368   4.428
  507    HB3  ASP  62           3HB      ASP  62  25.355 -18.008   5.076
  508    H    SER  63           H        SER  63  22.490 -19.216   6.001
  509    HA   SER  63           HA       SER  63  22.364 -21.494   4.096
  510    HB2  SER  63           2HB      SER  63  22.733 -22.971   5.943
  511    HB3  SER  63           3HB      SER  63  24.018 -21.751   5.913
  512    HG   SER  63           HG       SER  63  22.818 -20.620   7.542
  513    H    PHE  64           H        PHE  64  20.336 -19.225   5.240
  514    HA   PHE  64           HA       PHE  64  18.191 -21.037   6.094
  515    HB2  PHE  64           2HB      PHE  64  18.398 -18.884   7.192
  516    HB3  PHE  64           3HB      PHE  64  18.305 -18.043   5.645
  517    HD1  PHE  64           HD2      PHE  64  16.276 -20.737   7.347
  518    HD2  PHE  64           HD1      PHE  64  16.293 -16.938   5.341
  519    HE1  PHE  64           HE2      PHE  64  13.811 -20.622   7.548
  520    HE2  PHE  64           HE1      PHE  64  13.820 -16.816   5.554
  521    HZ   PHE  64           HZ       PHE  64  12.581 -18.658   6.657
  522    H    ARG  65           H        ARG  65  17.184 -22.195   4.627
  523    HA   ARG  65           HA       ARG  65  16.068 -20.859   2.241
  524    HB2  ARG  65           2HB      ARG  65  17.428 -23.591   2.132
  525    HB3  ARG  65           3HB      ARG  65  16.555 -22.795   0.827
  526    HG2  ARG  65           2HG      ARG  65  18.694 -22.272   0.219
  527    HG3  ARG  65           3HG      ARG  65  18.304 -20.849   1.198
  528    HD2  ARG  65           2HD      ARG  65  19.387 -22.015   3.166
  529    HD3  ARG  65           3HD      ARG  65  19.831 -23.340   2.098
  530    HE   ARG  65           HE       ARG  65  21.043 -20.668   2.233
  531   HH11  ARG  65          1HH1      ARG  65  20.690 -23.615   0.308
  532   HH12  ARG  65          2HH1      ARG  65  22.178 -23.353  -0.571
  533   HH21  ARG  65          1HH2      ARG  65  22.990 -20.395   1.149
  534   HH22  ARG  65          2HH2      ARG  65  23.474 -21.502  -0.117
  535    H    GLY  66           H        GLY  66  15.022 -21.508   4.862
  536    HA2  GLY  66           2HA      GLY  66  13.689 -24.024   4.938
  537    HA3  GLY  66           3HA      GLY  66  13.389 -22.616   5.973
  538    H    ASP  67           H        ASP  67  12.945 -21.352   2.970
  539    HA   ASP  67           HA       ASP  67  11.087 -20.613   1.926
  540    HB2  ASP  67           2HB      ASP  67  11.388 -22.876   0.965
  541    HB3  ASP  67           3HB      ASP  67  10.224 -23.509   2.139
  542    H    SER  68           H        SER  68  11.087 -20.344   4.786
  543    HA   SER  68           HA       SER  68   8.154 -20.237   5.318
  544    HB2  SER  68           2HB      SER  68   9.267 -22.114   6.531
  545    HB3  SER  68           3HB      SER  68  10.343 -20.934   7.311
  546    HG   SER  68           HG       SER  68   8.487 -21.444   8.574
  547    H    ALA  69           H        ALA  69   7.913 -18.719   7.418
  548    HA   ALA  69           HA       ALA  69   8.710 -16.145   6.445
  549    HB1  ALA  69           1HB      ALA  69   7.495 -16.940   9.122
  550    HB2  ALA  69           2HB      ALA  69   7.538 -15.304   8.430
  551    HB3  ALA  69           3HB      ALA  69   6.583 -16.575   7.634
  552    H    PHE  70           H        PHE  70  10.094 -14.624   7.221
  553    HA   PHE  70           HA       PHE  70  12.551 -15.649   8.351
  554    HB2  PHE  70           2HB      PHE  70  12.595 -14.010   6.592
  555    HB3  PHE  70           3HB      PHE  70  11.547 -12.921   7.511
  556    HD1  PHE  70           HD2      PHE  70  14.880 -14.644   7.854
  557    HD2  PHE  70           HD1      PHE  70  12.485 -11.166   8.674
  558    HE1  PHE  70           HE2      PHE  70  16.851 -13.512   8.840
  559    HE2  PHE  70           HE1      PHE  70  14.450 -10.036   9.654
  560    HZ   PHE  70           HZ       PHE  70  16.656 -11.199   9.718
  561    H    TYR  71           H        TYR  71   9.744 -13.872   9.679
  562    HA   TYR  71           HA       TYR  71  11.225 -12.765  11.872
  563    HB2  TYR  71           2HB      TYR  71   9.082 -12.169  12.801
  564    HB3  TYR  71           3HB      TYR  71   9.148 -11.783  11.087
  565    HD1  TYR  71           HD1      TYR  71   7.762 -14.177  13.579
  566    HD2  TYR  71           HD2      TYR  71   7.590 -12.697   9.540
  567    HE1  TYR  71           HE1      TYR  71   5.628 -15.393  13.226
  568    HE2  TYR  71           HE2      TYR  71   5.447 -13.911   9.187
  569    HH   TYR  71           HH       TYR  71   3.938 -15.886  11.758
  570    H    THR  72           H        THR  72   9.420 -15.858  11.492
  571    HA   THR  72           HA       THR  72   9.613 -16.523  14.296
  572    HB   THR  72           HB       THR  72   9.328 -18.366  11.889
  573    HG1  THR  72           1HG      THR  72   7.113 -18.099  12.282
  574   HG21  THR  72          1HG2      THR  72   9.843 -19.551  13.989
  575   HG22  THR  72          2HG2      THR  72   8.541 -18.675  14.823
  576   HG23  THR  72          3HG2      THR  72   8.157 -19.830  13.517
  577    H    TRP  73           H        TRP  73  11.668 -16.938  11.446
  578    HA   TRP  73           HA       TRP  73  13.496 -18.804  12.693
  579    HB2  TRP  73           2HB      TRP  73  13.134 -18.752  10.281
  580    HB3  TRP  73           3HB      TRP  73  13.629 -17.061  10.210
  581    HD1  TRP  73           HD1      TRP  73  14.997 -20.554  10.212
  582    HE1  TRP  73           HE1      TRP  73  17.533 -20.530   9.854
  583    HE3  TRP  73           HE3      TRP  73  15.829 -15.529  10.717
  584    HZ2  TRP  73           HZ2      TRP  73  19.665 -18.590   9.918
  585    HZ3  TRP  73           HZ3      TRP  73  18.119 -14.633  10.560
  586    HH2  TRP  73           HH2      TRP  73  20.039 -16.145  10.191
  587    H    LEU  74           H        LEU  74  13.205 -15.283  12.516
  588    HA   LEU  74           HA       LEU  74  15.962 -14.851  13.403
  589    HB2  LEU  74           2HB      LEU  74  14.885 -13.316  11.819
  590    HB3  LEU  74           3HB      LEU  74  13.599 -12.982  12.985
  591    HG   LEU  74           HG       LEU  74  15.278 -12.028  14.557
  592   HD11  LEU  74          1HD1      LEU  74  17.555 -11.509  13.686
  593   HD12  LEU  74          2HD1      LEU  74  17.295 -13.256  13.809
  594   HD13  LEU  74          3HD1      LEU  74  17.204 -12.452  12.223
  595   HD21  LEU  74          3HD2      LEU  74  15.657  -9.965  13.298
  596   HD22  LEU  74          1HD2      LEU  74  15.368 -10.824  11.766
  597   HD23  LEU  74          2HD2      LEU  74  14.044 -10.615  12.937
  598    H    TYR  75           H        TYR  75  12.654 -14.788  14.806
  599    HA   TYR  75           HA       TYR  75  13.370 -13.566  17.281
  600    HB2  TYR  75           2HB      TYR  75  11.216 -15.608  16.615
  601    HB3  TYR  75           3HB      TYR  75  11.334 -14.756  18.146
  602    HD1  TYR  75           HD1      TYR  75  12.288 -12.185  16.097
  603    HD2  TYR  75           HD2      TYR  75   8.848 -14.671  16.837
  604    HE1  TYR  75           HE1      TYR  75  10.811 -10.390  15.266
  605    HE2  TYR  75           HE2      TYR  75   7.367 -12.878  15.976
  606    HH   TYR  75           HH       TYR  75   8.657  -9.742  14.823
  607    H    ARG  76           H        ARG  76  13.682 -16.947  16.120
  608    HA   ARG  76           HA       ARG  76  14.273 -17.914  18.788
  609    HB2  ARG  76           2HB      ARG  76  14.797 -20.013  17.750
  610    HB3  ARG  76           3HB      ARG  76  13.283 -19.372  17.095
  611    HG2  ARG  76           2HG      ARG  76  14.418 -18.622  15.072
  612    HG3  ARG  76           3HG      ARG  76  15.994 -19.138  15.727
  613    HD2  ARG  76           2HD      ARG  76  15.070 -21.471  15.911
  614    HD3  ARG  76           3HD      ARG  76  13.607 -20.915  15.070
  615    HE   ARG  76           HE       ARG  76  15.772 -20.155  13.462
  616   HH11  ARG  76          1HH1      ARG  76  14.376 -23.162  14.694
  617   HH12  ARG  76          2HH1      ARG  76  14.955 -24.119  13.351
  618   HH21  ARG  76          1HH2      ARG  76  16.524 -21.429  11.728
  619   HH22  ARG  76          2HH2      ARG  76  16.163 -23.140  11.674
  620    H    ILE  77           H        ILE  77  16.221 -16.375  16.265
  621    HA   ILE  77           HA       ILE  77  18.741 -17.398  17.233
  622    HB   ILE  77           HB       ILE  77  18.238 -14.715  15.894
  623   HG12  ILE  77          2HG1      ILE  77  17.278 -16.412  14.449
  624   HG13  ILE  77          3HG1      ILE  77  18.764 -15.769  13.760
  625   HG21  ILE  77          1HG2      ILE  77  20.683 -16.511  16.143
  626   HG22  ILE  77          2HG2      ILE  77  20.592 -15.054  15.122
  627   HG23  ILE  77          3HG2      ILE  77  20.440 -14.911  16.879
  628   HD11  ILE  77          3HD1      ILE  77  18.523 -18.434  15.218
  629   HD12  ILE  77          1HD1      ILE  77  18.621 -18.210  13.463
  630   HD13  ILE  77          2HD1      ILE  77  20.008 -17.777  14.475
  631    H    ALA  78           H        ALA  78  16.610 -14.675  18.146
  632    HA   ALA  78           HA       ALA  78  18.648 -13.372  19.726
  633    HB1  ALA  78           1HB      ALA  78  16.854 -12.137  18.605
  634    HB2  ALA  78           2HB      ALA  78  15.636 -12.973  19.602
  635    HB3  ALA  78           3HB      ALA  78  16.802 -11.866  20.359
  636    H    VAL  79           H        VAL  79  15.902 -15.575  20.516
  637    HA   VAL  79           HA       VAL  79  16.362 -15.203  23.375
  638    HB   VAL  79           HB       VAL  79  14.137 -15.647  22.536
  639   HG11  VAL  79          1HG1      VAL  79  15.176 -18.404  21.762
  640   HG12  VAL  79          2HG1      VAL  79  13.491 -17.843  21.664
  641   HG13  VAL  79          3HG1      VAL  79  14.728 -17.109  20.623
  642   HG21  VAL  79          3HG2      VAL  79  15.161 -18.019  24.159
  643   HG22  VAL  79          1HG2      VAL  79  14.814 -16.406  24.832
  644   HG23  VAL  79          2HG2      VAL  79  13.505 -17.383  24.132
  645    H    ASN  80           H        ASN  80  17.477 -17.470  20.881
  646    HA   ASN  80           HA       ASN  80  18.592 -19.328  22.826
  647    HB2  ASN  80           2HB      ASN  80  19.034 -18.926  19.841
  648    HB3  ASN  80           3HB      ASN  80  19.804 -20.202  20.782
  649   HD21  ASN  80          2HD2      ASN  80  18.296 -21.016  18.691
  650   HD22  ASN  80          1HD2      ASN  80  16.797 -21.724  19.258
  651    H    THR  81           H        THR  81  19.629 -16.285  21.370
  652    HA   THR  81           HA       THR  81  22.422 -16.734  22.055
  653    HB   THR  81           HB       THR  81  20.927 -14.211  21.222
  654    HG1  THR  81           1HG      THR  81  21.011 -15.671  19.581
  655   HG21  THR  81          1HG2      THR  81  23.918 -14.802  21.444
  656   HG22  THR  81          2HG2      THR  81  23.200 -13.338  20.725
  657   HG23  THR  81          3HG2      THR  81  23.024 -13.664  22.460
  658    H    ALA  82           H        ALA  82  19.560 -15.322  23.601
  659    HA   ALA  82           HA       ALA  82  21.040 -13.965  25.686
  660    HB1  ALA  82           1HB      ALA  82  18.134 -14.875  25.506
  661    HB2  ALA  82           2HB      ALA  82  18.795 -13.739  26.703
  662    HB3  ALA  82           3HB      ALA  82  18.776 -13.301  24.979
  663    H    LYS  83           H        LYS  83  19.754 -17.234  25.206
  664    HA   LYS  83           HA       LYS  83  20.080 -17.954  28.019
  665    HB2  LYS  83           2HB      LYS  83  19.390 -19.511  25.503
  666    HB3  LYS  83           3HB      LYS  83  19.545 -20.263  27.106
  667    HG2  LYS  83           2HG      LYS  83  17.818 -18.801  28.024
  668    HG3  LYS  83           3HG      LYS  83  17.673 -17.932  26.484
  669    HD2  LYS  83           2HD      LYS  83  16.929 -19.982  25.365
  670    HD3  LYS  83           3HD      LYS  83  17.112 -20.901  26.877
  671    HE2  LYS  83           2HE      LYS  83  15.248 -18.525  26.496
  672    HE3  LYS  83           3HE      LYS  83  14.748 -20.217  26.397
  673    HZ1  LYS  83           3HZ      LYS  83  15.488 -20.506  28.671
  674    HZ2  LYS  83           1HZ      LYS  83  15.914 -18.924  28.770
  675    HZ3  LYS  83           2HZ      LYS  83  14.335 -19.340  28.570
  676    H    ASN  84           H        ASN  84  22.075 -18.148  25.054
  677    HA   ASN  84           HA       ASN  84  23.996 -19.799  26.526
  678    HB2  ASN  84           2HB      ASN  84  25.132 -20.126  24.594
  679    HB3  ASN  84           3HB      ASN  84  23.491 -19.913  23.976
  680   HD21  ASN  84          2HD2      ASN  84  26.513 -18.046  24.667
  681   HD22  ASN  84          1HD2      ASN  84  26.365 -16.993  23.276
  682    H    TYR  85           H        TYR  85  23.273 -16.434  26.155
  683    HA   TYR  85           HA       TYR  85  25.957 -15.452  26.571
  684    HB2  TYR  85           2HB      TYR  85  24.193 -14.140  25.480
  685    HB3  TYR  85           3HB      TYR  85  23.223 -14.176  26.958
  686    HD1  TYR  85           HD1      TYR  85  26.403 -12.943  25.459
  687    HD2  TYR  85           HD2      TYR  85  23.580 -12.580  28.685
  688    HE1  TYR  85           HE1      TYR  85  27.531 -10.868  26.202
  689    HE2  TYR  85           HE2      TYR  85  24.702 -10.491  29.434
  690    HH   TYR  85           HH       TYR  85  27.558  -9.150  27.737
  691    H    LEU  86           H        LEU  86  23.144 -16.148  28.701
  692    HA   LEU  86           HA       LEU  86  24.569 -15.130  31.036
  693    HB2  LEU  86           2HB      LEU  86  21.955 -16.664  30.730
  694    HB3  LEU  86           3HB      LEU  86  22.576 -16.035  32.260
  695    HG   LEU  86           HG       LEU  86  21.832 -14.361  29.829
  696   HD11  LEU  86          1HD1      LEU  86  20.583 -14.694  32.590
  697   HD12  LEU  86          2HD1      LEU  86  20.038 -13.548  31.352
  698   HD13  LEU  86          3HD1      LEU  86  19.910 -15.293  31.052
  699   HD21  LEU  86          3HD2      LEU  86  22.855 -13.566  32.592
  700   HD22  LEU  86          1HD2      LEU  86  23.681 -13.282  31.038
  701   HD23  LEU  86          2HD2      LEU  86  22.167 -12.438  31.400
  702    H    VAL  87           H        VAL  87  24.223 -18.308  29.469
  703    HA   VAL  87           HA       VAL  87  25.167 -19.649  31.886
  704    HB   VAL  87           HB       VAL  87  23.635 -20.604  30.042
  705   HG11  VAL  87          1HG1      VAL  87  26.336 -21.276  28.805
  706   HG12  VAL  87          2HG1      VAL  87  24.733 -21.764  28.219
  707   HG13  VAL  87          3HG1      VAL  87  25.217 -20.052  28.158
  708   HG21  VAL  87          3HG2      VAL  87  26.023 -22.225  31.000
  709   HG22  VAL  87          1HG2      VAL  87  24.550 -21.899  31.948
  710   HG23  VAL  87          2HG2      VAL  87  24.457 -22.873  30.465
  711    H    ALA  88           H        ALA  88  26.606 -18.047  29.121
  712    HA   ALA  88           HA       ALA  88  29.119 -19.473  29.331
  713    HB1  ALA  88           1HB      ALA  88  28.355 -16.910  27.869
  714    HB2  ALA  88           2HB      ALA  88  29.881 -17.794  27.659
  715    HB3  ALA  88           3HB      ALA  88  28.349 -18.553  27.184
  716    H    GLN  89           H        GLN  89  27.666 -16.871  31.070
  717    HA   GLN  89           HA       GLN  89  30.345 -16.119  32.154
  718    HB2  GLN  89           2HB      GLN  89  29.387 -13.980  32.752
  719    HB3  GLN  89           3HB      GLN  89  29.108 -14.298  31.028
  720    HG2  GLN  89           2HG      GLN  89  26.793 -15.120  31.633
  721    HG3  GLN  89           3HG      GLN  89  27.088 -14.576  33.295
  722   HE21  GLN  89          2HE2      GLN  89  26.644 -13.582  29.922
  723   HE22  GLN  89          1HE2      GLN  89  26.322 -11.893  30.248
  724    H    GLY  90           H        GLY  90  27.256 -17.577  32.856
  725    HA2  GLY  90           2HA      GLY  90  27.541 -17.245  35.754
  726    HA3  GLY  90           3HA      GLY  90  26.262 -18.113  34.880
  727    H    ARG  91           H        ARG  91  28.474 -19.556  33.277
  728    HA   ARG  91           HA       ARG  91  29.100 -21.565  35.385
  729    HB2  ARG  91           2HB      ARG  91  28.809 -22.007  32.395
  730    HB3  ARG  91           3HB      ARG  91  29.077 -23.245  33.630
  731    HG2  ARG  91           2HG      ARG  91  26.605 -21.485  33.349
  732    HG3  ARG  91           3HG      ARG  91  26.731 -23.216  32.980
  733    HD2  ARG  91           2HD      ARG  91  27.277 -23.666  35.364
  734    HD3  ARG  91           3HD      ARG  91  27.075 -21.932  35.716
  735    HE   ARG  91           HE       ARG  91  24.745 -23.048  34.421
  736   HH11  ARG  91          1HH1      ARG  91  26.413 -22.752  37.525
  737   HH12  ARG  91          2HH1      ARG  91  24.952 -22.931  38.464
  738   HH21  ARG  91          1HH2      ARG  91  22.854 -23.292  35.660
  739   HH22  ARG  91          2HH2      ARG  91  22.929 -23.240  37.404
  740    H    ARG  92           H        ARG  92  30.615 -19.079  34.165
  741    HA   ARG  92           HA       ARG  92  33.200 -20.517  33.835
  742    HB2  ARG  92           2HB      ARG  92  32.244 -19.501  31.740
  743    HB3  ARG  92           3HB      ARG  92  32.387 -17.907  32.499
  744    HG2  ARG  92           2HG      ARG  92  34.822 -18.145  32.622
  745    HG3  ARG  92           3HG      ARG  92  34.706 -19.846  32.122
  746    HD2  ARG  92           2HD      ARG  92  35.397 -18.448  30.238
  747    HD3  ARG  92           3HD      ARG  92  33.792 -19.141  29.942
  748    HE   ARG  92           HE       ARG  92  33.678 -16.505  31.168
  749   HH11  ARG  92          1HH1      ARG  92  34.039 -18.218  28.102
  750   HH12  ARG  92          2HH1      ARG  92  33.435 -16.888  27.146
  751   HH21  ARG  92          1HH2      ARG  92  32.879 -14.782  29.910
  752   HH22  ARG  92          2HH2      ARG  92  32.790 -14.940  28.170
  753    H    LEU  93           H        LEU  93  31.465 -18.842  35.994
  754    HA   LEU  93           HA       LEU  93  33.860 -17.424  37.064
  755    HB2  LEU  93           2HB      LEU  93  32.153 -15.885  36.085
  756    HB3  LEU  93           3HB      LEU  93  30.951 -16.535  37.205
  757    HG   LEU  93           HG       LEU  93  32.280 -15.692  39.124
  758   HD11  LEU  93          1HD1      LEU  93  34.101 -14.581  36.943
  759   HD12  LEU  93          2HD1      LEU  93  34.177 -14.131  38.666
  760   HD13  LEU  93          3HD1      LEU  93  34.545 -15.792  38.172
  761   HD21  LEU  93          3HD2      LEU  93  31.761 -13.608  36.966
  762   HD22  LEU  93          1HD2      LEU  93  30.553 -14.267  38.096
  763   HD23  LEU  93          2HD2      LEU  93  31.903 -13.295  38.714
  764    H    GLU  94           H        GLU  94  31.405 -19.803  37.572
  765    HA   GLU  94           HA       GLU  94  31.329 -19.548  40.454
  766    HB2  GLU  94           2HB      GLU  94  30.050 -21.619  40.392
  767    HB3  GLU  94           3HB      GLU  94  29.433 -20.463  39.200
  768    HG2  GLU  94           2HG      GLU  94  30.565 -21.666  37.389
  769    HG3  GLU  94           3HG      GLU  94  31.369 -22.726  38.557
  770    H    LEU  95           H        LEU  95  33.840 -20.417  38.509
  771    HA   LEU  95           HA       LEU  95  34.781 -22.739  40.019
  772    HB2  LEU  95           2HB      LEU  95  36.120 -20.968  37.933
  773    HB3  LEU  95           3HB      LEU  95  36.838 -22.407  38.650
  774    HG   LEU  95           HG       LEU  95  36.046 -23.030  36.526
  775   HD11  LEU  95          1HD1      LEU  95  33.960 -24.000  38.518
  776   HD12  LEU  95          2HD1      LEU  95  34.453 -24.802  37.011
  777   HD13  LEU  95          3HD1      LEU  95  35.609 -24.655  38.355
  778   HD21  LEU  95          3HD2      LEU  95  33.247 -22.066  37.202
  779   HD22  LEU  95          1HD2      LEU  95  34.417 -21.157  36.206
  780   HD23  LEU  95          2HD2      LEU  95  33.825 -22.743  35.675
  781    H    VAL  96           H        VAL  96  34.646 -19.412  40.622
  782    HA   VAL  96           HA       VAL  96  37.192 -19.187  42.022
  783    HB   VAL  96           HB       VAL  96  34.749 -17.371  41.939
  784   HG11  VAL  96          1HG1      VAL  96  37.605 -16.812  42.849
  785   HG12  VAL  96          2HG1      VAL  96  36.300 -15.616  42.708
  786   HG13  VAL  96          3HG1      VAL  96  36.174 -16.915  43.911
  787   HG21  VAL  96          3HG2      VAL  96  37.381 -17.284  40.401
  788   HG22  VAL  96          1HG2      VAL  96  35.786 -17.679  39.720
  789   HG23  VAL  96          2HG2      VAL  96  36.102 -16.052  40.347
  790    HA   PRO  97           HA       PRO  97  35.871 -20.987  45.863
  791    HB2  PRO  97           2HB      PRO  97  37.376 -18.662  47.065
  792    HB3  PRO  97           3HB      PRO  97  37.439 -20.399  47.525
  793    HG2  PRO  97           2HG      PRO  97  39.415 -19.362  46.003
  794    HG3  PRO  97           3HG      PRO  97  38.684 -20.940  45.535
  795    HD2  PRO  97           2HD      PRO  97  38.081 -18.192  44.430
  796    HD3  PRO  97           3HD      PRO  97  38.370 -19.728  43.546
  797    H    ARG  98           H        ARG  98  34.406 -20.612  47.629
  798    HA   ARG  98           HA       ARG  98  32.366 -18.705  46.917
  799    HB2  ARG  98           2HB      ARG  98  32.633 -20.496  49.361
  800    HB3  ARG  98           3HB      ARG  98  31.164 -19.639  48.857
  801    HG2  ARG  98           2HG      ARG  98  32.604 -21.814  47.274
  802    HG3  ARG  98           3HG      ARG  98  31.082 -21.994  48.156
  803    HD2  ARG  98           2HD      ARG  98  30.034 -20.283  46.693
  804    HD3  ARG  98           3HD      ARG  98  31.544 -20.137  45.781
  805    HE   ARG  98           HE       ARG  98  29.797 -22.555  45.879
  806   HH11  ARG  98          1HH1      ARG  98  32.373 -20.690  44.287
  807   HH12  ARG  98          2HH1      ARG  98  32.355 -21.698  42.865
  808   HH21  ARG  98          1HH2      ARG  98  29.842 -23.846  43.998
  809   HH22  ARG  98          2HH2      ARG  98  30.963 -23.467  42.711
  810    H    GLY  99           H        GLY  99  31.354 -17.188  48.390
  811    HA2  GLY  99           2HA      GLY  99  31.425 -15.541  50.060
  812    HA3  GLY  99           3HA      GLY  99  33.136 -15.900  50.357
  813    H    SER 100           H        SER 100  33.129 -15.816  47.104
  814    HA   SER 100           HA       SER 100  32.801 -12.951  46.623
  815    HB2  SER 100           2HB      SER 100  35.069 -13.067  47.619
  816    HB3  SER 100           3HB      SER 100  35.537 -14.275  46.400
  817    HG   SER 100           HG       SER 100  36.117 -12.125  45.819
  818    H    HIS 101           H        HIS 101  32.369 -12.574  44.483
  819    HA   HIS 101           HA       HIS 101  31.593 -13.095  42.416
  820    HB2  HIS 101           2HB      HIS 101  34.222 -14.602  42.298
  821    HB3  HIS 101           3HB      HIS 101  33.245 -14.117  40.906
  822    HD2  HIS 101           HD2      HIS 101  36.099 -12.938  42.909
  823    HE1  HIS 101           HE1      HIS 101  34.511  -9.372  41.224
  824    HE2  HIS 101           HE2      HIS 101  36.505 -10.396  42.433
  825    H    HIS 102           H        HIS 102  30.780 -15.010  44.585
  826    HA   HIS 102           HA       HIS 102  30.719 -17.610  43.260
  827    HB2  HIS 102           2HB      HIS 102  29.594 -18.333  45.320
  828    HB3  HIS 102           3HB      HIS 102  31.100 -17.463  45.647
  829    HD2  HIS 102           HD2      HIS 102  27.296 -17.182  46.098
  830    HE1  HIS 102           HE1      HIS 102  29.006 -13.885  48.173
  831    HE2  HIS 102           HE2      HIS 102  26.854 -15.170  47.717
  832    H    HIS 103           H        HIS 103  28.975 -14.882  42.677
  833    HA   HIS 103           HA       HIS 103  26.303 -16.021  42.588
  834    HB2  HIS 103           2HB      HIS 103  26.683 -13.620  42.904
  835    HB3  HIS 103           3HB      HIS 103  27.480 -13.523  41.324
  836    HD2  HIS 103           HD2      HIS 103  25.944 -12.676  39.450
  837    HE1  HIS 103           HE1      HIS 103  22.172 -13.997  40.911
  838    HE2  HIS 103           HE2      HIS 103  23.355 -12.731  39.039
  839    H    HIS 104           H        HIS 104  25.113 -16.602  40.734
  840    HA   HIS 104           HA       HIS 104  26.485 -16.844  38.152
  841    HB2  HIS 104           2HB      HIS 104  26.139 -19.259  38.001
  842    HB3  HIS 104           3HB      HIS 104  27.214 -18.877  39.347
  843    HD2  HIS 104           HD2      HIS 104  23.794 -20.384  38.533
  844    HE1  HIS 104           HE1      HIS 104  24.252 -20.736  42.746
  845    HE2  HIS 104           HE2      HIS 104  22.827 -21.407  40.743
  846    H    HIS 105           H        HIS 105  24.992 -17.708  36.473
  847    HA   HIS 105           HA       HIS 105  22.199 -16.872  37.042
  848    HB2  HIS 105           2HB      HIS 105  23.648 -17.305  34.413
  849    HB3  HIS 105           3HB      HIS 105  21.989 -16.724  34.601
  850    HD2  HIS 105           HD2      HIS 105  21.641 -14.218  35.585
  851    HE1  HIS 105           HE1      HIS 105  25.676 -12.954  35.119
  852    HE2  HIS 105           HE2      HIS 105  23.291 -12.182  35.584
  853    H    HIS 106           H        HIS 106  20.436 -18.189  36.361
  854    HA   HIS 106           HA       HIS 106  21.002 -20.976  35.606
  855    HB2  HIS 106           2HB      HIS 106  21.205 -20.906  38.085
  856    HB3  HIS 106           3HB      HIS 106  19.570 -20.242  38.187
  857    HD2  HIS 106           HD2      HIS 106  17.518 -21.927  37.732
  858    HE1  HIS 106           HE1      HIS 106  19.801 -25.510  37.519
  859    HE2  HIS 106           HE2      HIS 106  17.448 -24.547  37.672
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   1.851   3.835   2.771
    2    H2   MET   1           H2       MET   1   1.377   3.430   4.295
    3    H3   MET   1           H3       MET   1   0.251   3.651   3.118
    4    HA   MET   1           HA       MET   1   0.585   1.329   3.602
    5    HB2  MET   1           2HB      MET   1   0.864   0.560   1.312
    6    HB3  MET   1           3HB      MET   1  -0.141   2.010   1.344
    7    HG2  MET   1           2HG      MET   1   1.808   3.388   0.696
    8    HG3  MET   1           3HG      MET   1   2.835   1.947   0.692
    9    HE1  MET   1           1HE      MET   1   3.699   2.502  -1.690
   10    HE2  MET   1           2HE      MET   1   2.648   2.869  -3.078
   11    HE3  MET   1           3HE      MET   1   2.702   3.976  -1.690
   12    H    SER   2           H        SER   2   2.045  -0.574   3.024
   13    HA   SER   2           HA       SER   2   4.583  -0.230   4.321
   14    HB2  SER   2           2HB      SER   2   3.480  -2.564   2.714
   15    HB3  SER   2           3HB      SER   2   4.871  -2.617   3.820
   16    HG   SER   2           HG       SER   2   2.917  -3.301   4.802
   17    H    GLU   3           H        GLU   3   6.625  -1.143   3.323
   18    HA   GLU   3           HA       GLU   3   7.320   0.434   1.011
   19    HB2  GLU   3           2HB      GLU   3   8.827  -1.748   2.515
   20    HB3  GLU   3           3HB      GLU   3   9.506  -0.763   1.219
   21    HG2  GLU   3           2HG      GLU   3  10.200   0.224   3.267
   22    HG3  GLU   3           3HG      GLU   3   9.002   1.299   2.546
   23    H    GLN   4           H        GLN   4   8.392  -0.489  -0.945
   24    HA   GLN   4           HA       GLN   4   6.634  -2.477  -2.137
   25    HB2  GLN   4           2HB      GLN   4   9.052  -0.971  -3.211
   26    HB3  GLN   4           3HB      GLN   4   7.986  -2.012  -4.174
   27    HG2  GLN   4           2HG      GLN   4   6.050  -0.567  -3.577
   28    HG3  GLN   4           3HG      GLN   4   7.140   0.503  -2.674
   29   HE21  GLN   4          2HE2      GLN   4   8.968   1.507  -3.915
   30   HE22  GLN   4          1HE2      GLN   4   8.687   1.923  -5.595
   31    H    LEU   5           H        LEU   5   9.187  -2.835  -0.117
   32    HA   LEU   5           HA       LEU   5   9.865  -5.497  -1.264
   33    HB2  LEU   5           2HB      LEU   5  11.753  -3.549   0.118
   34    HB3  LEU   5           3HB      LEU   5  12.171  -5.185  -0.412
   35    HG   LEU   5           HG       LEU   5  11.361  -2.876  -2.230
   36   HD11  LEU   5          1HD1      LEU   5  14.039  -4.243  -1.740
   37   HD12  LEU   5          2HD1      LEU   5  13.736  -2.924  -2.896
   38   HD13  LEU   5          3HD1      LEU   5  13.584  -2.626  -1.152
   39   HD21  LEU   5          3HD2      LEU   5  12.482  -5.619  -2.953
   40   HD22  LEU   5          1HD2      LEU   5  10.781  -5.145  -3.167
   41   HD23  LEU   5          2HD2      LEU   5  12.057  -4.314  -4.077
   42    H    THR   6           H        THR   6  10.464  -7.073   0.342
   43    HA   THR   6           HA       THR   6   9.542  -6.510   3.111
   44    HB   THR   6           HB       THR   6   8.516  -8.801   1.377
   45    HG1  THR   6           1HG      THR   6   7.632  -6.822   0.735
   46   HG21  THR   6          1HG2      THR   6   7.875  -7.855   4.194
   47   HG22  THR   6          2HG2      THR   6   6.808  -8.928   3.261
   48   HG23  THR   6          3HG2      THR   6   8.440  -9.472   3.673
   49    H    ASP   7           H        ASP   7   9.944  -8.640   4.455
   50    HA   ASP   7           HA       ASP   7  12.697  -9.130   4.494
   51    HB2  ASP   7           2HB      ASP   7  12.144 -10.887   6.115
   52    HB3  ASP   7           3HB      ASP   7  11.203  -9.416   6.397
   53    H    GLN   8           H        GLN   8  10.314 -10.532   2.395
   54    HA   GLN   8           HA       GLN   8  11.627 -13.030   1.883
   55    HB2  GLN   8           2HB      GLN   8   9.291 -12.613   1.262
   56    HB3  GLN   8           3HB      GLN   8   9.781 -11.279   0.208
   57    HG2  GLN   8           2HG      GLN   8   9.303 -13.286  -1.127
   58    HG3  GLN   8           3HG      GLN   8  11.010 -12.848  -1.252
   59   HE21  GLN   8          2HE2      GLN   8  12.597 -14.150  -0.129
   60   HE22  GLN   8          1HE2      GLN   8  12.216 -15.797   0.350
   61    H    VAL   9           H        VAL   9  11.703  -9.854   0.196
   62    HA   VAL   9           HA       VAL   9  13.808 -10.804  -1.605
   63    HB   VAL   9           HB       VAL   9  12.096  -9.508  -2.608
   64   HG11  VAL   9          1HG1      VAL   9  12.608  -7.379  -0.509
   65   HG12  VAL   9          2HG1      VAL   9  11.500  -7.235  -1.905
   66   HG13  VAL   9          3HG1      VAL   9  11.168  -8.425  -0.636
   67   HG21  VAL   9          3HG2      VAL   9  14.422  -7.582  -2.215
   68   HG22  VAL   9          1HG2      VAL   9  14.440  -8.966  -3.336
   69   HG23  VAL   9          2HG2      VAL   9  13.291  -7.631  -3.577
   70    H    LEU  10           H        LEU  10  13.533  -8.885   1.353
   71    HA   LEU  10           HA       LEU  10  16.124  -7.655   1.142
   72    HB2  LEU  10           2HB      LEU  10  14.024  -8.057   3.233
   73    HB3  LEU  10           3HB      LEU  10  15.677  -7.781   3.810
   74    HG   LEU  10           HG       LEU  10  15.850  -5.713   2.564
   75   HD11  LEU  10          1HD1      LEU  10  14.451  -6.214   0.616
   76   HD12  LEU  10          2HD1      LEU  10  12.999  -6.215   1.656
   77   HD13  LEU  10          3HD1      LEU  10  13.927  -4.718   1.408
   78   HD21  LEU  10          3HD2      LEU  10  13.238  -5.886   4.139
   79   HD22  LEU  10          1HD2      LEU  10  14.865  -5.681   4.838
   80   HD23  LEU  10          2HD2      LEU  10  14.165  -4.405   3.822
   81    H    VAL  11           H        VAL  11  15.016 -10.888   2.189
   82    HA   VAL  11           HA       VAL  11  17.650 -11.468   3.329
   83    HB   VAL  11           HB       VAL  11  15.188 -13.166   2.844
   84   HG11  VAL  11          1HG1      VAL  11  16.410 -14.880   4.222
   85   HG12  VAL  11          2HG1      VAL  11  17.103 -14.646   2.601
   86   HG13  VAL  11          3HG1      VAL  11  17.894 -13.918   4.018
   87   HG21  VAL  11          3HG2      VAL  11  15.119 -13.162   5.307
   88   HG22  VAL  11          1HG2      VAL  11  16.639 -12.241   5.373
   89   HG23  VAL  11          2HG2      VAL  11  15.167 -11.485   4.721
   90    H    GLU  12           H        GLU  12  15.981 -11.864   0.197
   91    HA   GLU  12           HA       GLU  12  17.982 -13.666  -0.878
   92    HB2  GLU  12           2HB      GLU  12  15.920 -11.814  -2.130
   93    HB3  GLU  12           3HB      GLU  12  17.002 -12.842  -3.076
   94    HG2  GLU  12           2HG      GLU  12  16.150 -14.846  -1.902
   95    HG3  GLU  12           3HG      GLU  12  15.042 -13.833  -0.966
   96    H    ARG  13           H        ARG  13  17.613 -10.129  -0.655
   97    HA   ARG  13           HA       ARG  13  19.690  -9.527  -2.552
   98    HB2  ARG  13           2HB      ARG  13  17.847  -8.024  -2.005
   99    HB3  ARG  13           3HB      ARG  13  18.411  -7.885  -0.328
  100    HG2  ARG  13           2HG      ARG  13  20.417  -6.758  -1.006
  101    HG3  ARG  13           3HG      ARG  13  20.110  -7.091  -2.729
  102    HD2  ARG  13           2HD      ARG  13  18.314  -5.401  -0.947
  103    HD3  ARG  13           3HD      ARG  13  19.536  -4.750  -2.060
  104    HE   ARG  13           HE       ARG  13  17.890  -6.469  -3.563
  105   HH11  ARG  13          1HH1      ARG  13  17.588  -3.435  -1.775
  106   HH12  ARG  13          2HH1      ARG  13  16.296  -2.832  -2.790
  107   HH21  ARG  13          1HH2      ARG  13  16.195  -5.661  -4.862
  108   HH22  ARG  13          2HH2      ARG  13  15.506  -4.090  -4.527
  109    H    VAL  14           H        VAL  14  19.698  -9.961   1.018
  110    HA   VAL  14           HA       VAL  14  22.465  -9.137   1.247
  111    HB   VAL  14           HB       VAL  14  22.329 -10.016   3.519
  112   HG11  VAL  14          1HG1      VAL  14  20.386  -8.635   4.285
  113   HG12  VAL  14          2HG1      VAL  14  21.464  -7.795   3.130
  114   HG13  VAL  14          3HG1      VAL  14  19.893  -8.436   2.595
  115   HG21  VAL  14          3HG2      VAL  14  20.241 -10.958   4.370
  116   HG22  VAL  14          1HG2      VAL  14  19.568 -10.986   2.720
  117   HG23  VAL  14          2HG2      VAL  14  20.961 -12.022   3.141
  118    H    GLN  15           H        GLN  15  20.848 -12.154   0.399
  119    HA   GLN  15           HA       GLN  15  23.232 -13.789   0.774
  120    HB2  GLN  15           2HB      GLN  15  20.593 -14.204  -0.674
  121    HB3  GLN  15           3HB      GLN  15  21.864 -15.431  -0.593
  122    HG2  GLN  15           2HG      GLN  15  21.765 -15.470   1.852
  123    HG3  GLN  15           3HG      GLN  15  20.575 -14.180   1.875
  124   HE21  GLN  15          2HE2      GLN  15  19.900 -16.525   3.150
  125   HE22  GLN  15          1HE2      GLN  15  18.690 -17.382   2.220
  126    H    LYS  16           H        LYS  16  22.113 -11.527  -1.592
  127    HA   LYS  16           HA       LYS  16  23.785 -12.646  -3.744
  128    HB2  LYS  16           2HB      LYS  16  21.796 -10.379  -3.561
  129    HB3  LYS  16           3HB      LYS  16  22.799 -10.651  -5.002
  130    HG2  LYS  16           2HG      LYS  16  21.923 -12.883  -5.298
  131    HG3  LYS  16           3HG      LYS  16  21.106 -12.840  -3.728
  132    HD2  LYS  16           2HD      LYS  16  19.720 -10.916  -4.560
  133    HD3  LYS  16           3HD      LYS  16  20.428 -11.151  -6.173
  134    HE2  LYS  16           2HE      LYS  16  18.932 -13.278  -4.578
  135    HE3  LYS  16           3HE      LYS  16  18.215 -12.296  -5.866
  136    HZ1  LYS  16           3HZ      LYS  16  20.470 -14.164  -6.190
  137    HZ2  LYS  16           1HZ      LYS  16  18.928 -14.418  -6.691
  138    HZ3  LYS  16           2HZ      LYS  16  19.827 -13.232  -7.385
  139    H    GLY  17           H        GLY  17  24.458 -10.909  -1.028
  140    HA2  GLY  17           2HA      GLY  17  26.736 -10.332  -0.646
  141    HA3  GLY  17           3HA      GLY  17  26.901  -9.839  -2.340
  142    H    ASP  18           H        ASP  18  23.946  -8.610  -1.265
  143    HA   ASP  18           HA       ASP  18  25.159  -5.948  -0.847
  144    HB2  ASP  18           2HB      ASP  18  22.431  -7.005  -1.606
  145    HB3  ASP  18           3HB      ASP  18  22.623  -5.352  -1.043
  146    H    GLN  19           H        GLN  19  25.960  -6.366   1.287
  147    HA   GLN  19           HA       GLN  19  24.287  -7.278   3.416
  148    HB2  GLN  19           2HB      GLN  19  26.734  -7.444   3.343
  149    HB3  GLN  19           3HB      GLN  19  26.887  -5.689   3.429
  150    HG2  GLN  19           2HG      GLN  19  25.396  -7.259   5.558
  151    HG3  GLN  19           3HG      GLN  19  27.155  -7.153   5.588
  152   HE21  GLN  19          2HE2      GLN  19  25.834  -6.191   7.765
  153   HE22  GLN  19          1HE2      GLN  19  25.904  -4.442   7.794
  154    H    LYS  20           H        LYS  20  24.544  -4.220   1.793
  155    HA   LYS  20           HA       LYS  20  23.757  -2.447   3.863
  156    HB2  LYS  20           2HB      LYS  20  23.088  -0.986   2.018
  157    HB3  LYS  20           3HB      LYS  20  24.612  -1.798   1.621
  158    HG2  LYS  20           2HG      LYS  20  23.314  -3.504   0.306
  159    HG3  LYS  20           3HG      LYS  20  21.834  -2.572   0.626
  160    HD2  LYS  20           2HD      LYS  20  22.874  -0.598  -0.490
  161    HD3  LYS  20           3HD      LYS  20  24.308  -1.600  -0.853
  162    HE2  LYS  20           2HE      LYS  20  22.854  -3.193  -2.089
  163    HE3  LYS  20           3HE      LYS  20  21.458  -2.144  -1.780
  164    HZ1  LYS  20           3HZ      LYS  20  22.412  -1.740  -3.943
  165    HZ2  LYS  20           1HZ      LYS  20  22.593  -0.407  -2.997
  166    HZ3  LYS  20           2HZ      LYS  20  23.878  -1.388  -3.284
  167    H    ALA  21           H        ALA  21  21.938  -4.892   2.072
  168    HA   ALA  21           HA       ALA  21  19.357  -3.756   2.813
  169    HB1  ALA  21           1HB      ALA  21  18.458  -5.798   1.764
  170    HB2  ALA  21           2HB      ALA  21  19.636  -4.975   0.718
  171    HB3  ALA  21           3HB      ALA  21  20.110  -6.442   1.608
  172    H    PHE  22           H        PHE  22  21.734  -5.836   4.320
  173    HA   PHE  22           HA       PHE  22  19.818  -7.154   6.067
  174    HB2  PHE  22           2HB      PHE  22  22.047  -8.135   5.500
  175    HB3  PHE  22           3HB      PHE  22  22.826  -6.817   6.364
  176    HD1  PHE  22           HD2      PHE  22  20.086  -9.353   6.914
  177    HD2  PHE  22           HD1      PHE  22  23.446  -7.241   8.581
  178    HE1  PHE  22           HE2      PHE  22  19.848 -10.632   9.014
  179    HE2  PHE  22           HE1      PHE  22  23.198  -8.515  10.691
  180    HZ   PHE  22           HZ       PHE  22  21.398 -10.215  10.912
  181    H    ASN  23           H        ASN  23  21.903  -4.257   6.156
  182    HA   ASN  23           HA       ASN  23  21.493  -3.562   8.894
  183    HB2  ASN  23           2HB      ASN  23  23.238  -2.519   7.633
  184    HB3  ASN  23           3HB      ASN  23  22.126  -2.080   6.333
  185   HD21  ASN  23          2HD2      ASN  23  21.040  -0.161   6.369
  186   HD22  ASN  23          1HD2      ASN  23  21.144   0.989   7.684
  187    H    LEU  24           H        LEU  24  19.685  -2.825   5.899
  188    HA   LEU  24           HA       LEU  24  17.698  -1.217   7.259
  189    HB2  LEU  24           2HB      LEU  24  17.735  -2.552   4.530
  190    HB3  LEU  24           3HB      LEU  24  16.525  -1.376   5.063
  191    HG   LEU  24           HG       LEU  24  19.517  -0.814   4.886
  192   HD11  LEU  24          1HD1      LEU  24  18.929   0.504   2.888
  193   HD12  LEU  24          2HD1      LEU  24  18.525  -1.215   2.680
  194   HD13  LEU  24          3HD1      LEU  24  17.238  -0.040   3.028
  195   HD21  LEU  24          3HD2      LEU  24  18.796   1.553   5.096
  196   HD22  LEU  24          1HD2      LEU  24  17.118   1.014   5.345
  197   HD23  LEU  24          2HD2      LEU  24  18.379   0.614   6.538
  198    H    LEU  25           H        LEU  25  18.182  -4.647   6.821
  199    HA   LEU  25           HA       LEU  25  15.359  -5.308   7.233
  200    HB2  LEU  25           2HB      LEU  25  16.779  -6.685   5.784
  201    HB3  LEU  25           3HB      LEU  25  17.898  -6.982   7.121
  202    HG   LEU  25           HG       LEU  25  16.091  -8.178   8.349
  203   HD11  LEU  25          1HD1      LEU  25  14.034  -8.819   7.137
  204   HD12  LEU  25          2HD1      LEU  25  14.108  -7.065   7.382
  205   HD13  LEU  25          3HD1      LEU  25  14.495  -7.767   5.786
  206   HD21  LEU  25          3HD2      LEU  25  16.609  -9.103   5.491
  207   HD22  LEU  25          1HD2      LEU  25  17.654  -9.397   6.899
  208   HD23  LEU  25          2HD2      LEU  25  16.042 -10.141   6.822
  209    H    VAL  26           H        VAL  26  18.415  -5.457   9.196
  210    HA   VAL  26           HA       VAL  26  17.030  -6.699  11.374
  211    HB   VAL  26           HB       VAL  26  18.969  -6.258  12.723
  212   HG11  VAL  26          1HG1      VAL  26  19.104  -8.096  11.094
  213   HG12  VAL  26          2HG1      VAL  26  19.824  -6.997   9.899
  214   HG13  VAL  26          3HG1      VAL  26  20.692  -7.356  11.405
  215   HG21  VAL  26          3HG2      VAL  26  19.933  -4.460  10.477
  216   HG22  VAL  26          1HG2      VAL  26  19.458  -3.968  12.129
  217   HG23  VAL  26          2HG2      VAL  26  20.896  -4.970  11.880
  218    H    VAL  27           H        VAL  27  17.271  -3.304  10.377
  219    HA   VAL  27           HA       VAL  27  16.743  -2.297  13.027
  220    HB   VAL  27           HB       VAL  27  17.826  -0.963  11.278
  221   HG11  VAL  27          1HG1      VAL  27  15.067  -0.863   9.984
  222   HG12  VAL  27          2HG1      VAL  27  16.500   0.072   9.501
  223   HG13  VAL  27          3HG1      VAL  27  16.508  -1.696   9.337
  224   HG21  VAL  27          3HG2      VAL  27  15.195   0.236  12.229
  225   HG22  VAL  27          1HG2      VAL  27  16.686   0.114  13.194
  226   HG23  VAL  27          2HG2      VAL  27  16.647   1.127  11.733
  227    H    ARG  28           H        ARG  28  14.675  -3.565  10.435
  228    HA   ARG  28           HA       ARG  28  12.195  -2.531  11.476
  229    HB2  ARG  28           2HB      ARG  28  12.638  -5.164  10.006
  230    HB3  ARG  28           3HB      ARG  28  11.158  -4.204  10.076
  231    HG2  ARG  28           2HG      ARG  28  12.332  -2.384   8.802
  232    HG3  ARG  28           3HG      ARG  28  13.767  -3.441   8.714
  233    HD2  ARG  28           2HD      ARG  28  12.566  -3.675   6.648
  234    HD3  ARG  28           3HD      ARG  28  12.380  -5.170   7.565
  235    HE   ARG  28           HE       ARG  28  10.098  -4.657   7.975
  236   HH11  ARG  28          1HH1      ARG  28  11.686  -2.135   6.055
  237   HH12  ARG  28          2HH1      ARG  28  10.162  -1.447   5.527
  238   HH21  ARG  28          1HH2      ARG  28   8.138  -3.688   7.250
  239   HH22  ARG  28          2HH2      ARG  28   8.222  -2.294   6.193
  240    H    TYR  29           H        TYR  29  14.288  -5.259  12.234
  241    HA   TYR  29           HA       TYR  29  12.282  -6.320  14.139
  242    HB2  TYR  29           2HB      TYR  29  14.782  -7.484  12.886
  243    HB3  TYR  29           3HB      TYR  29  13.851  -8.287  14.158
  244    HD1  TYR  29           HD1      TYR  29  13.783  -7.142  10.639
  245    HD2  TYR  29           HD2      TYR  29  11.704  -9.249  13.740
  246    HE1  TYR  29           HE1      TYR  29  12.168  -7.985   8.956
  247    HE2  TYR  29           HE2      TYR  29  10.096 -10.139  12.077
  248    HH   TYR  29           HH       TYR  29  10.296  -9.283   8.590
  249    H    GLN  30           H        GLN  30  14.979  -4.256  14.184
  250    HA   GLN  30           HA       GLN  30  16.368  -5.154  16.482
  251    HB2  GLN  30           2HB      GLN  30  17.162  -3.508  14.817
  252    HB3  GLN  30           3HB      GLN  30  15.973  -2.334  15.411
  253    HG2  GLN  30           2HG      GLN  30  17.072  -2.297  17.595
  254    HG3  GLN  30           3HG      GLN  30  18.181  -3.589  17.083
  255   HE21  GLN  30          2HE2      GLN  30  19.351  -3.079  14.888
  256   HE22  GLN  30          1HE2      GLN  30  20.022  -1.466  14.770
  257    H    HIS  31           H        HIS  31  13.358  -3.324  16.107
  258    HA   HIS  31           HA       HIS  31  13.210  -2.775  18.997
  259    HB2  HIS  31           2HB      HIS  31  11.235  -2.382  16.725
  260    HB3  HIS  31           3HB      HIS  31  11.000  -1.837  18.389
  261    HD2  HIS  31           HD2      HIS  31  12.949   0.012  19.299
  262    HE1  HIS  31           HE1      HIS  31  13.765   1.522  15.408
  263    HE2  HIS  31           HE2      HIS  31  14.047   1.940  17.896
  264    H    LYS  32           H        LYS  32  12.005  -5.152  16.655
  265    HA   LYS  32           HA       LYS  32   9.969  -6.212  18.426
  266    HB2  LYS  32           2HB      LYS  32  11.266  -7.337  15.913
  267    HB3  LYS  32           3HB      LYS  32   9.853  -8.034  16.728
  268    HG2  LYS  32           2HG      LYS  32   8.577  -5.979  16.382
  269    HG3  LYS  32           3HG      LYS  32   9.982  -5.204  15.607
  270    HD2  LYS  32           2HD      LYS  32   9.973  -6.872  13.817
  271    HD3  LYS  32           3HD      LYS  32   8.635  -7.741  14.602
  272    HE2  LYS  32           2HE      LYS  32   7.800  -6.348  12.765
  273    HE3  LYS  32           3HE      LYS  32   7.171  -5.789  14.326
  274    HZ1  LYS  32           3HZ      LYS  32   8.794  -4.057  14.323
  275    HZ2  LYS  32           1HZ      LYS  32   9.468  -4.587  12.924
  276    HZ3  LYS  32           2HZ      LYS  32   7.932  -3.984  12.930
  277    H    VAL  33           H        VAL  33  13.356  -7.217  17.627
  278    HA   VAL  33           HA       VAL  33  13.023  -9.590  19.286
  279    HB   VAL  33           HB       VAL  33  15.271 -10.140  18.750
  280   HG11  VAL  33          1HG1      VAL  33  13.911  -8.945  16.301
  281   HG12  VAL  33          2HG1      VAL  33  15.150 -10.216  16.303
  282   HG13  VAL  33          3HG1      VAL  33  13.558 -10.532  17.020
  283   HG21  VAL  33          3HG2      VAL  33  16.726  -8.702  17.398
  284   HG22  VAL  33          1HG2      VAL  33  15.562  -7.365  17.555
  285   HG23  VAL  33          2HG2      VAL  33  16.389  -8.008  18.994
  286    H    ALA  34           H        ALA  34  14.184  -6.282  19.746
  287    HA   ALA  34           HA       ALA  34  15.610  -6.852  22.186
  288    HB1  ALA  34           1HB      ALA  34  14.310  -4.278  21.210
  289    HB2  ALA  34           2HB      ALA  34  15.493  -4.427  22.532
  290    HB3  ALA  34           3HB      ALA  34  15.979  -4.804  20.867
  291    H    SER  35           H        SER  35  12.221  -6.560  21.338
  292    HA   SER  35           HA       SER  35  11.296  -5.933  24.022
  293    HB2  SER  35           2HB      SER  35  10.040  -5.369  21.949
  294    HB3  SER  35           3HB      SER  35   9.820  -7.106  21.633
  295    HG   SER  35           HG       SER  35   8.048  -6.130  22.749
  296    H    LEU  36           H        LEU  36  11.645  -8.884  22.013
  297    HA   LEU  36           HA       LEU  36  10.493 -10.515  24.147
  298    HB2  LEU  36           2HB      LEU  36  10.666 -12.349  22.616
  299    HB3  LEU  36           3HB      LEU  36  10.008 -10.934  21.791
  300    HG   LEU  36           HG       LEU  36  12.489 -10.528  21.029
  301   HD11  LEU  36          1HD1      LEU  36  13.563 -12.341  22.369
  302   HD12  LEU  36          2HD1      LEU  36  12.493 -13.533  21.595
  303   HD13  LEU  36          3HD1      LEU  36  13.705 -12.659  20.635
  304   HD21  LEU  36          3HD2      LEU  36  10.794 -12.823  19.957
  305   HD22  LEU  36          1HD2      LEU  36  10.596 -11.102  19.549
  306   HD23  LEU  36          2HD2      LEU  36  12.068 -11.973  19.055
  307    H    VAL  37           H        VAL  37  13.731  -9.550  23.156
  308    HA   VAL  37           HA       VAL  37  14.891 -11.789  24.651
  309    HB   VAL  37           HB       VAL  37  15.751 -10.886  22.435
  310   HG11  VAL  37          1HG1      VAL  37  17.236  -9.056  22.418
  311   HG12  VAL  37          2HG1      VAL  37  15.831  -8.467  23.348
  312   HG13  VAL  37          3HG1      VAL  37  17.318  -8.991  24.188
  313   HG21  VAL  37          3HG2      VAL  37  17.709 -11.211  24.736
  314   HG22  VAL  37          1HG2      VAL  37  16.902 -12.544  23.870
  315   HG23  VAL  37          2HG2      VAL  37  18.034 -11.476  23.010
  316    H    SER  38           H        SER  38  13.994  -8.466  25.267
  317    HA   SER  38           HA       SER  38  15.713  -8.054  27.540
  318    HB2  SER  38           2HB      SER  38  14.476  -6.248  26.337
  319    HB3  SER  38           3HB      SER  38  12.952  -6.911  26.959
  320    HG   SER  38           HG       SER  38  13.789  -5.213  28.250
  321    H    ARG  39           H        ARG  39  13.195 -10.248  26.929
  322    HA   ARG  39           HA       ARG  39  12.326 -10.489  29.725
  323    HB2  ARG  39           2HB      ARG  39  11.580 -12.184  27.322
  324    HB3  ARG  39           3HB      ARG  39  10.719 -12.075  28.869
  325    HG2  ARG  39           2HG      ARG  39  10.229  -9.673  28.419
  326    HG3  ARG  39           3HG      ARG  39  11.100  -9.800  26.876
  327    HD2  ARG  39           2HD      ARG  39   9.496 -11.636  26.215
  328    HD3  ARG  39           3HD      ARG  39   8.543 -11.229  27.658
  329    HE   ARG  39           HE       ARG  39   9.206  -8.984  25.877
  330   HH11  ARG  39          1HH1      ARG  39   6.809 -11.443  26.706
  331   HH12  ARG  39          2HH1      ARG  39   5.491 -10.586  25.941
  332   HH21  ARG  39          1HH2      ARG  39   7.486  -7.900  24.874
  333   HH22  ARG  39          2HH2      ARG  39   5.877  -8.583  24.897
  334    H    TYR  40           H        TYR  40  14.995 -11.524  27.976
  335    HA   TYR  40           HA       TYR  40  15.266 -13.958  29.685
  336    HB2  TYR  40           2HB      TYR  40  16.264 -13.501  26.856
  337    HB3  TYR  40           3HB      TYR  40  16.650 -14.901  27.863
  338    HD1  TYR  40           HD1      TYR  40  14.669 -16.324  28.748
  339    HD2  TYR  40           HD2      TYR  40  14.369 -13.552  25.471
  340    HE1  TYR  40           HE1      TYR  40  12.602 -17.463  27.976
  341    HE2  TYR  40           HE2      TYR  40  12.313 -14.695  24.685
  342    HH   TYR  40           HH       TYR  40  10.933 -17.514  26.410
  343    H    VAL  41           H        VAL  41  16.569 -10.869  28.830
  344    HA   VAL  41           HA       VAL  41  18.741 -11.355  30.764
  345    HB   VAL  41           HB       VAL  41  20.282  -9.952  29.285
  346   HG11  VAL  41          1HG1      VAL  41  21.122 -11.873  28.060
  347   HG12  VAL  41          2HG1      VAL  41  20.613 -12.365  29.691
  348   HG13  VAL  41          3HG1      VAL  41  19.585 -12.738  28.294
  349   HG21  VAL  41          3HG2      VAL  41  18.546  -9.209  27.663
  350   HG22  VAL  41          1HG2      VAL  41  19.940  -9.992  26.897
  351   HG23  VAL  41          2HG2      VAL  41  18.418 -10.891  27.082
  352    HA   PRO  42           HA       PRO  42  17.357  -7.498  32.288
  353    HB2  PRO  42           2HB      PRO  42  19.592  -6.364  33.368
  354    HB3  PRO  42           3HB      PRO  42  18.838  -7.841  34.046
  355    HG2  PRO  42           2HG      PRO  42  21.158  -7.688  32.096
  356    HG3  PRO  42           3HG      PRO  42  21.083  -8.593  33.647
  357    HD2  PRO  42           2HD      PRO  42  20.566  -9.832  31.303
  358    HD3  PRO  42           3HD      PRO  42  19.546 -10.174  32.735
  359    H    SER  43           H        SER  43  17.602  -5.107  32.102
  360    HA   SER  43           HA       SER  43  17.799  -4.400  29.350
  361    HB2  SER  43           2HB      SER  43  17.304  -2.127  30.169
  362    HB3  SER  43           3HB      SER  43  16.234  -3.344  30.902
  363    HG   SER  43           HG       SER  43  17.095  -1.882  32.441
  364    H    GLY  44           H        GLY  44  20.283  -4.699  31.689
  365    HA2  GLY  44           2HA      GLY  44  22.011  -2.645  30.490
  366    HA3  GLY  44           3HA      GLY  44  22.407  -3.760  31.816
  367    H    ASP  45           H        ASP  45  21.243  -6.012  29.967
  368    HA   ASP  45           HA       ASP  45  23.731  -6.362  28.355
  369    HB2  ASP  45           2HB      ASP  45  22.019  -8.413  29.797
  370    HB3  ASP  45           3HB      ASP  45  23.386  -8.784  28.740
  371    H    VAL  46           H        VAL  46  20.408  -5.811  28.126
  372    HA   VAL  46           HA       VAL  46  19.742  -7.667  26.063
  373    HB   VAL  46           HB       VAL  46  18.130  -6.477  27.542
  374   HG11  VAL  46          1HG1      VAL  46  19.016  -4.188  27.396
  375   HG12  VAL  46          2HG1      VAL  46  18.572  -4.134  25.663
  376   HG13  VAL  46          3HG1      VAL  46  17.311  -4.281  26.905
  377   HG21  VAL  46          3HG2      VAL  46  17.311  -7.652  25.647
  378   HG22  VAL  46          1HG2      VAL  46  16.434  -6.116  25.755
  379   HG23  VAL  46          2HG2      VAL  46  17.714  -6.309  24.537
  380    HA   PRO  47           HA       PRO  47  20.667  -4.252  22.925
  381    HB2  PRO  47           2HB      PRO  47  22.682  -2.483  23.264
  382    HB3  PRO  47           3HB      PRO  47  21.067  -2.207  23.998
  383    HG2  PRO  47           2HG      PRO  47  23.523  -3.419  25.317
  384    HG3  PRO  47           3HG      PRO  47  22.498  -2.081  25.922
  385    HD2  PRO  47           2HD      PRO  47  22.158  -4.653  26.710
  386    HD3  PRO  47           3HD      PRO  47  20.756  -3.558  26.499
  387    H    ASP  48           H        ASP  48  23.268  -5.764  24.802
  388    HA   ASP  48           HA       ASP  48  25.052  -5.947  22.495
  389    HB2  ASP  48           2HB      ASP  48  25.851  -5.714  24.848
  390    HB3  ASP  48           3HB      ASP  48  25.147  -7.299  25.225
  391    H    VAL  49           H        VAL  49  22.592  -7.935  24.093
  392    HA   VAL  49           HA       VAL  49  23.325 -10.354  22.641
  393    HB   VAL  49           HB       VAL  49  20.925  -9.566  24.337
  394   HG11  VAL  49          1HG1      VAL  49  20.377 -11.970  24.365
  395   HG12  VAL  49          2HG1      VAL  49  20.243 -11.315  22.723
  396   HG13  VAL  49          3HG1      VAL  49  21.665 -12.288  23.182
  397   HG21  VAL  49          3HG2      VAL  49  21.968 -11.094  25.972
  398   HG22  VAL  49          1HG2      VAL  49  23.291 -11.427  24.839
  399   HG23  VAL  49          2HG2      VAL  49  23.104  -9.804  25.530
  400    H    VAL  50           H        VAL  50  21.193  -7.561  22.088
  401    HA   VAL  50           HA       VAL  50  19.778  -8.776  19.874
  402    HB   VAL  50           HB       VAL  50  20.262  -5.904  20.745
  403   HG11  VAL  50          1HG1      VAL  50  18.493  -5.287  19.109
  404   HG12  VAL  50          2HG1      VAL  50  19.962  -5.878  18.307
  405   HG13  VAL  50          3HG1      VAL  50  18.544  -6.942  18.453
  406   HG21  VAL  50          3HG2      VAL  50  17.756  -7.643  20.682
  407   HG22  VAL  50          1HG2      VAL  50  18.744  -7.376  22.129
  408   HG23  VAL  50          2HG2      VAL  50  17.899  -6.007  21.365
  409    H    GLN  51           H        GLN  51  22.844  -6.973  20.262
  410    HA   GLN  51           HA       GLN  51  23.279  -6.735  17.404
  411    HB2  GLN  51           2HB      GLN  51  24.299  -5.204  19.027
  412    HB3  GLN  51           3HB      GLN  51  25.203  -6.558  19.756
  413    HG2  GLN  51           2HG      GLN  51  26.411  -6.938  17.688
  414    HG3  GLN  51           3HG      GLN  51  25.445  -5.712  16.844
  415   HE21  GLN  51          2HE2      GLN  51  27.970  -5.210  16.525
  416   HE22  GLN  51          1HE2      GLN  51  28.582  -3.985  17.619
  417    H    GLU  52           H        GLU  52  24.363  -9.058  19.968
  418    HA   GLU  52           HA       GLU  52  25.980 -10.556  18.131
  419    HB2  GLU  52           2HB      GLU  52  26.207 -10.614  20.612
  420    HB3  GLU  52           3HB      GLU  52  24.662 -11.481  20.722
  421    HG2  GLU  52           2HG      GLU  52  25.548 -13.357  19.471
  422    HG3  GLU  52           3HG      GLU  52  27.021 -12.460  19.069
  423    H    ALA  53           H        ALA  53  22.508 -10.503  18.841
  424    HA   ALA  53           HA       ALA  53  21.959 -13.058  17.625
  425    HB1  ALA  53           1HB      ALA  53  20.434 -12.019  19.250
  426    HB2  ALA  53           2HB      ALA  53  20.167 -10.650  18.146
  427    HB3  ALA  53           3HB      ALA  53  19.614 -12.275  17.691
  428    H    PHE  54           H        PHE  54  22.354  -9.722  16.402
  429    HA   PHE  54           HA       PHE  54  21.325 -10.496  13.761
  430    HB2  PHE  54           2HB      PHE  54  22.598  -7.962  14.836
  431    HB3  PHE  54           3HB      PHE  54  22.069  -8.156  13.174
  432    HD1  PHE  54           HD1      PHE  54  19.499  -9.781  13.753
  433    HD2  PHE  54           HD2      PHE  54  21.121  -6.185  15.490
  434    HE1  PHE  54           HE1      PHE  54  17.226  -9.047  14.366
  435    HE2  PHE  54           HE2      PHE  54  18.820  -5.440  16.050
  436    HZ   PHE  54           HZ       PHE  54  16.882  -6.876  15.487
  437    H    ILE  55           H        ILE  55  24.480 -10.216  15.384
  438    HA   ILE  55           HA       ILE  55  25.979 -10.468  12.907
  439    HB   ILE  55           HB       ILE  55  26.691 -11.002  15.819
  440   HG12  ILE  55          2HG1      ILE  55  27.396  -8.666  13.979
  441   HG13  ILE  55          3HG1      ILE  55  26.112  -8.618  15.171
  442   HG21  ILE  55          1HG2      ILE  55  28.489 -10.818  13.365
  443   HG22  ILE  55          2HG2      ILE  55  29.038 -10.989  15.053
  444   HG23  ILE  55          3HG2      ILE  55  28.142 -12.298  14.281
  445   HD11  ILE  55          3HD1      ILE  55  28.103  -7.567  16.086
  446   HD12  ILE  55          1HD1      ILE  55  27.787  -9.074  16.974
  447   HD13  ILE  55          2HD1      ILE  55  29.077  -9.007  15.746
  448    H    LYS  56           H        LYS  56  24.626 -12.682  15.359
  449    HA   LYS  56           HA       LYS  56  25.768 -15.069  14.180
  450    HB2  LYS  56           2HB      LYS  56  25.177 -14.818  16.566
  451    HB3  LYS  56           3HB      LYS  56  23.471 -14.624  16.133
  452    HG2  LYS  56           2HG      LYS  56  23.478 -16.910  15.141
  453    HG3  LYS  56           3HG      LYS  56  25.178 -17.103  15.635
  454    HD2  LYS  56           2HD      LYS  56  22.846 -16.531  17.518
  455    HD3  LYS  56           3HD      LYS  56  23.556 -18.132  17.245
  456    HE2  LYS  56           2HE      LYS  56  25.747 -17.289  18.049
  457    HE3  LYS  56           3HE      LYS  56  25.021 -15.692  18.326
  458    HZ1  LYS  56           3HZ      LYS  56  24.210 -18.190  19.656
  459    HZ2  LYS  56           1HZ      LYS  56  25.082 -16.976  20.340
  460    HZ3  LYS  56           2HZ      LYS  56  23.522 -16.708  19.883
  461    H    ALA  57           H        ALA  57  22.731 -13.219  13.798
  462    HA   ALA  57           HA       ALA  57  21.326 -15.310  12.423
  463    HB1  ALA  57           1HB      ALA  57  20.994 -12.282  12.352
  464    HB2  ALA  57           2HB      ALA  57  19.853 -13.443  11.653
  465    HB3  ALA  57           3HB      ALA  57  20.118 -13.423  13.405
  466    H    TYR  58           H        TYR  58  23.389 -12.555  11.266
  467    HA   TYR  58           HA       TYR  58  22.822 -12.919   8.519
  468    HB2  TYR  58           2HB      TYR  58  23.949 -10.967   9.590
  469    HB3  TYR  58           3HB      TYR  58  25.390 -11.966   9.829
  470    HD1  TYR  58           HD2      TYR  58  23.104 -10.630   7.189
  471    HD2  TYR  58           HD1      TYR  58  26.986 -12.218   8.111
  472    HE1  TYR  58           HE2      TYR  58  23.903  -9.961   4.938
  473    HE2  TYR  58           HE1      TYR  58  27.792 -11.589   5.855
  474    HH   TYR  58           HH       TYR  58  27.253 -10.602   3.845
  475    H    ARG  59           H        ARG  59  25.223 -14.469  10.642
  476    HA   ARG  59           HA       ARG  59  26.649 -15.816   8.515
  477    HB2  ARG  59           2HB      ARG  59  26.459 -16.257  11.522
  478    HB3  ARG  59           3HB      ARG  59  27.625 -17.076  10.463
  479    HG2  ARG  59           2HG      ARG  59  28.683 -14.996   9.873
  480    HG3  ARG  59           3HG      ARG  59  27.414 -14.040  10.677
  481    HD2  ARG  59           2HD      ARG  59  28.032 -14.934  12.847
  482    HD3  ARG  59           3HD      ARG  59  29.198 -16.042  12.094
  483    HE   ARG  59           HE       ARG  59  29.892 -13.413  11.316
  484   HH11  ARG  59          1HH1      ARG  59  29.739 -15.342  14.272
  485   HH12  ARG  59          2HH1      ARG  59  31.022 -14.459  15.062
  486   HH21  ARG  59          1HH2      ARG  59  31.570 -12.275  12.359
  487   HH22  ARG  59          2HH2      ARG  59  32.065 -12.726  13.974
  488    H    ALA  60           H        ALA  60  23.770 -16.508  10.395
  489    HA   ALA  60           HA       ALA  60  23.655 -19.282   9.374
  490    HB1  ALA  60           1HB      ALA  60  21.840 -17.740  11.264
  491    HB2  ALA  60           2HB      ALA  60  21.717 -19.471  10.871
  492    HB3  ALA  60           3HB      ALA  60  23.139 -18.856  11.742
  493    H    LEU  61           H        LEU  61  22.700 -16.147   8.401
  494    HA   LEU  61           HA       LEU  61  20.136 -16.816   7.265
  495    HB2  LEU  61           2HB      LEU  61  20.953 -14.536   8.058
  496    HB3  LEU  61           3HB      LEU  61  21.993 -14.494   6.625
  497    HG   LEU  61           HG       LEU  61  19.908 -14.736   5.210
  498   HD11  LEU  61          1HD1      LEU  61  18.587 -14.372   7.923
  499   HD12  LEU  61          2HD1      LEU  61  17.742 -14.206   6.367
  500   HD13  LEU  61          3HD1      LEU  61  18.402 -15.785   6.851
  501   HD21  LEU  61          3HD2      LEU  61  19.157 -12.417   5.602
  502   HD22  LEU  61          1HD2      LEU  61  19.951 -12.424   7.198
  503   HD23  LEU  61          2HD2      LEU  61  20.931 -12.544   5.714
  504    H    ASP  62           H        ASP  62  23.489 -17.008   6.237
  505    HA   ASP  62           HA       ASP  62  23.016 -17.300   3.422
  506    HB2  ASP  62           2HB      ASP  62  25.212 -16.822   4.504
  507    HB3  ASP  62           3HB      ASP  62  25.212 -18.460   5.180
  508    H    SER  63           H        SER  63  22.123 -19.254   6.089
  509    HA   SER  63           HA       SER  63  21.918 -21.681   4.384
  510    HB2  SER  63           2HB      SER  63  21.943 -21.391   7.411
  511    HB3  SER  63           3HB      SER  63  21.800 -22.912   6.504
  512    HG   SER  63           HG       SER  63  23.953 -22.470   7.144
  513    H    PHE  64           H        PHE  64  20.071 -19.076   5.249
  514    HA   PHE  64           HA       PHE  64  17.627 -20.432   6.004
  515    HB2  PHE  64           2HB      PHE  64  18.106 -18.084   6.577
  516    HB3  PHE  64           3HB      PHE  64  18.133 -17.667   4.857
  517    HD1  PHE  64           HD1      PHE  64  15.923 -19.069   7.533
  518    HD2  PHE  64           HD2      PHE  64  16.156 -17.061   3.738
  519    HE1  PHE  64           HE1      PHE  64  13.478 -18.668   7.590
  520    HE2  PHE  64           HE2      PHE  64  13.712 -16.652   3.803
  521    HZ   PHE  64           HZ       PHE  64  12.368 -17.458   5.727
  522    H    ARG  65           H        ARG  65  15.897 -21.028   4.698
  523    HA   ARG  65           HA       ARG  65  16.297 -20.856   1.757
  524    HB2  ARG  65           2HB      ARG  65  15.799 -23.381   3.374
  525    HB3  ARG  65           3HB      ARG  65  15.652 -23.280   1.607
  526    HG2  ARG  65           2HG      ARG  65  18.010 -22.585   1.432
  527    HG3  ARG  65           3HG      ARG  65  18.186 -22.693   3.198
  528    HD2  ARG  65           2HD      ARG  65  17.651 -25.095   3.125
  529    HD3  ARG  65           3HD      ARG  65  17.385 -24.996   1.378
  530    HE   ARG  65           HE       ARG  65  19.692 -24.866   1.003
  531   HH11  ARG  65          1HH1      ARG  65  19.000 -24.775   4.475
  532   HH12  ARG  65          2HH1      ARG  65  20.658 -25.087   4.931
  533   HH21  ARG  65          1HH2      ARG  65  21.841 -25.265   1.626
  534   HH22  ARG  65          2HH2      ARG  65  22.264 -25.353   3.321
  535    H    GLY  66           H        GLY  66  14.304 -19.991   4.175
  536    HA2  GLY  66           2HA      GLY  66  12.172 -19.134   4.015
  537    HA3  GLY  66           3HA      GLY  66  12.096 -19.678   2.338
  538    H    ASP  67           H        ASP  67  12.904 -22.208   4.605
  539    HA   ASP  67           HA       ASP  67  10.412 -23.568   4.112
  540    HB2  ASP  67           2HB      ASP  67  12.663 -24.112   6.079
  541    HB3  ASP  67           3HB      ASP  67  11.324 -25.220   5.741
  542    H    SER  68           H        SER  68  11.188 -21.036   6.198
  543    HA   SER  68           HA       SER  68   8.636 -21.327   7.628
  544    HB2  SER  68           2HB      SER  68  10.323 -22.449   9.086
  545    HB3  SER  68           3HB      SER  68  11.283 -20.956   9.084
  546    HG   SER  68           HG       SER  68   9.866 -21.147  10.904
  547    H    ALA  69           H        ALA  69   8.131 -19.209   8.768
  548    HA   ALA  69           HA       ALA  69   8.677 -17.028   6.995
  549    HB1  ALA  69           1HB      ALA  69   6.590 -17.235   8.291
  550    HB2  ALA  69           2HB      ALA  69   7.507 -17.042   9.800
  551    HB3  ALA  69           3HB      ALA  69   7.417 -15.697   8.633
  552    H    PHE  70           H        PHE  70   9.941 -15.122   7.318
  553    HA   PHE  70           HA       PHE  70  12.481 -15.707   8.484
  554    HB2  PHE  70           2HB      PHE  70  12.266 -14.246   6.556
  555    HB3  PHE  70           3HB      PHE  70  11.264 -13.117   7.482
  556    HD1  PHE  70           HD1      PHE  70  14.657 -14.733   7.593
  557    HD2  PHE  70           HD2      PHE  70  12.263 -11.280   8.509
  558    HE1  PHE  70           HE1      PHE  70  16.673 -13.550   8.407
  559    HE2  PHE  70           HE2      PHE  70  14.285 -10.085   9.295
  560    HZ   PHE  70           HZ       PHE  70  16.502 -11.219   9.242
  561    H    TYR  71           H        TYR  71   9.631 -13.889   9.701
  562    HA   TYR  71           HA       TYR  71  11.132 -12.653  11.812
  563    HB2  TYR  71           2HB      TYR  71   8.979 -12.074  12.765
  564    HB3  TYR  71           3HB      TYR  71   9.028 -11.720  11.042
  565    HD1  TYR  71           HD2      TYR  71   7.693 -14.036  13.622
  566    HD2  TYR  71           HD1      TYR  71   7.489 -12.760   9.522
  567    HE1  TYR  71           HE2      TYR  71   5.599 -15.332  13.332
  568    HE2  TYR  71           HE1      TYR  71   5.379 -14.038   9.224
  569    HH   TYR  71           HH       TYR  71   3.830 -15.401  10.213
  570    H    THR  72           H        THR  72   9.301 -15.742  11.574
  571    HA   THR  72           HA       THR  72   9.570 -16.353  14.377
  572    HB   THR  72           HB       THR  72   9.221 -18.214  11.993
  573    HG1  THR  72           1HG      THR  72   7.024 -18.023  12.534
  574   HG21  THR  72          1HG2      THR  72   9.907 -19.408  14.049
  575   HG22  THR  72          2HG2      THR  72   8.645 -18.558  14.969
  576   HG23  THR  72          3HG2      THR  72   8.197 -19.724  13.697
  577    H    TRP  73           H        TRP  73  11.521 -16.956  11.454
  578    HA   TRP  73           HA       TRP  73  13.373 -18.752  12.709
  579    HB2  TRP  73           2HB      TRP  73  13.008 -18.677  10.309
  580    HB3  TRP  73           3HB      TRP  73  13.516 -16.988  10.242
  581    HD1  TRP  73           HD1      TRP  73  14.870 -20.506  10.299
  582    HE1  TRP  73           HE1      TRP  73  17.393 -20.493   9.912
  583    HE3  TRP  73           HE3      TRP  73  15.713 -15.460  10.629
  584    HZ2  TRP  73           HZ2      TRP  73  19.533 -18.552   9.857
  585    HZ3  TRP  73           HZ3      TRP  73  18.008 -14.572  10.394
  586    HH2  TRP  73           HH2      TRP  73  19.918 -16.102  10.043
  587    H    LEU  74           H        LEU  74  13.152 -15.206  12.479
  588    HA   LEU  74           HA       LEU  74  15.907 -14.817  13.345
  589    HB2  LEU  74           2HB      LEU  74  14.785 -13.316  11.750
  590    HB3  LEU  74           3HB      LEU  74  13.574 -12.904  12.978
  591    HG   LEU  74           HG       LEU  74  15.345 -11.919  14.402
  592   HD11  LEU  74          1HD1      LEU  74  17.287 -13.260  13.670
  593   HD12  LEU  74          2HD1      LEU  74  17.162 -12.573  12.033
  594   HD13  LEU  74          3HD1      LEU  74  17.609 -11.537  13.411
  595   HD21  LEU  74          3HD2      LEU  74  15.346 -10.901  11.529
  596   HD22  LEU  74          1HD2      LEU  74  14.118 -10.538  12.767
  597   HD23  LEU  74          2HD2      LEU  74  15.787  -9.954  12.964
  598    H    TYR  75           H        TYR  75  12.634 -14.732  14.834
  599    HA   TYR  75           HA       TYR  75  13.453 -13.576  17.317
  600    HB2  TYR  75           2HB      TYR  75  11.255 -15.587  16.711
  601    HB3  TYR  75           3HB      TYR  75  11.419 -14.686  18.214
  602    HD1  TYR  75           HD2      TYR  75  12.344 -12.177  16.116
  603    HD2  TYR  75           HD1      TYR  75   8.902 -14.639  16.912
  604    HE1  TYR  75           HE2      TYR  75  10.866 -10.398  15.235
  605    HE2  TYR  75           HE1      TYR  75   7.421 -12.854  16.029
  606    HH   TYR  75           HH       TYR  75   7.308 -10.756  15.110
  607    H    ARG  76           H        ARG  76  13.813 -16.809  15.966
  608    HA   ARG  76           HA       ARG  76  14.350 -18.142  18.478
  609    HB2  ARG  76           2HB      ARG  76  14.861 -18.841  15.564
  610    HB3  ARG  76           3HB      ARG  76  15.241 -19.933  16.916
  611    HG2  ARG  76           2HG      ARG  76  12.926 -19.932  17.650
  612    HG3  ARG  76           3HG      ARG  76  12.490 -18.753  16.401
  613    HD2  ARG  76           2HD      ARG  76  13.147 -20.369  14.639
  614    HD3  ARG  76           3HD      ARG  76  13.602 -21.545  15.881
  615    HE   ARG  76           HE       ARG  76  10.933 -20.796  16.390
  616   HH11  ARG  76          1HH1      ARG  76  12.765 -22.427  13.837
  617   HH12  ARG  76          2HH1      ARG  76  11.414 -23.413  13.335
  618   HH21  ARG  76          1HH2      ARG  76   9.186 -22.101  15.711
  619   HH22  ARG  76          2HH2      ARG  76   9.400 -23.231  14.393
  620    H    ILE  77           H        ILE  77  16.292 -16.265  16.188
  621    HA   ILE  77           HA       ILE  77  18.823 -17.318  17.142
  622    HB   ILE  77           HB       ILE  77  18.323 -14.619  15.827
  623   HG12  ILE  77          2HG1      ILE  77  17.313 -16.249  14.359
  624   HG13  ILE  77          3HG1      ILE  77  18.843 -15.696  13.674
  625   HG21  ILE  77          1HG2      ILE  77  20.741 -16.457  16.015
  626   HG22  ILE  77          2HG2      ILE  77  20.663 -14.983  15.023
  627   HG23  ILE  77          3HG2      ILE  77  20.540 -14.870  16.785
  628   HD11  ILE  77          3HD1      ILE  77  19.944 -17.789  14.478
  629   HD12  ILE  77          1HD1      ILE  77  18.371 -18.341  15.118
  630   HD13  ILE  77          2HD1      ILE  77  18.595 -18.103  13.375
  631    H    ALA  78           H        ALA  78  16.671 -14.634  18.102
  632    HA   ALA  78           HA       ALA  78  18.696 -13.413  19.774
  633    HB1  ALA  78           1HB      ALA  78  15.686 -12.987  19.590
  634    HB2  ALA  78           2HB      ALA  78  16.830 -11.921  20.434
  635    HB3  ALA  78           3HB      ALA  78  16.932 -12.101  18.673
  636    H    VAL  79           H        VAL  79  15.979 -15.693  20.384
  637    HA   VAL  79           HA       VAL  79  16.318 -15.394  23.269
  638    HB   VAL  79           HB       VAL  79  14.134 -15.867  22.310
  639   HG11  VAL  79          1HG1      VAL  79  14.871 -17.296  20.408
  640   HG12  VAL  79          2HG1      VAL  79  15.268 -18.594  21.560
  641   HG13  VAL  79          3HG1      VAL  79  13.583 -18.050  21.375
  642   HG21  VAL  79          3HG2      VAL  79  14.721 -16.638  24.621
  643   HG22  VAL  79          1HG2      VAL  79  13.467 -17.634  23.842
  644   HG23  VAL  79          2HG2      VAL  79  15.135 -18.233  23.949
  645    H    ASN  80           H        ASN  80  17.609 -17.551  20.760
  646    HA   ASN  80           HA       ASN  80  18.647 -19.458  22.705
  647    HB2  ASN  80           2HB      ASN  80  19.214 -18.975  19.753
  648    HB3  ASN  80           3HB      ASN  80  19.953 -20.269  20.706
  649   HD21  ASN  80          2HD2      ASN  80  18.618 -21.114  18.567
  650   HD22  ASN  80          1HD2      ASN  80  17.074 -21.816  19.010
  651    H    THR  81           H        THR  81  19.722 -16.395  21.318
  652    HA   THR  81           HA       THR  81  22.498 -16.801  22.143
  653    HB   THR  81           HB       THR  81  21.020 -14.317  21.180
  654    HG1  THR  81           1HG      THR  81  21.110 -15.801  19.573
  655   HG21  THR  81          1HG2      THR  81  23.995 -14.926  21.467
  656   HG22  THR  81          2HG2      THR  81  23.305 -13.491  20.669
  657   HG23  THR  81          3HG2      THR  81  23.083 -13.727  22.412
  658    H    ALA  82           H        ALA  82  19.538 -15.466  23.562
  659    HA   ALA  82           HA       ALA  82  20.953 -14.033  25.656
  660    HB1  ALA  82           1HB      ALA  82  18.687 -13.735  26.579
  661    HB2  ALA  82           2HB      ALA  82  18.719 -13.375  24.837
  662    HB3  ALA  82           3HB      ALA  82  18.050 -14.921  25.414
  663    H    LYS  83           H        LYS  83  19.541 -17.293  25.282
  664    HA   LYS  83           HA       LYS  83  19.923 -17.937  28.100
  665    HB2  LYS  83           2HB      LYS  83  19.303 -19.597  25.631
  666    HB3  LYS  83           3HB      LYS  83  19.431 -20.265  27.275
  667    HG2  LYS  83           2HG      LYS  83  17.644 -18.800  28.069
  668    HG3  LYS  83           3HG      LYS  83  17.528 -18.011  26.486
  669    HD2  LYS  83           2HD      LYS  83  16.857 -20.126  25.443
  670    HD3  LYS  83           3HD      LYS  83  17.010 -20.974  27.002
  671    HE2  LYS  83           2HE      LYS  83  15.135 -18.630  26.450
  672    HE3  LYS  83           3HE      LYS  83  14.651 -20.332  26.402
  673    HZ1  LYS  83           3HZ      LYS  83  14.151 -19.344  28.514
  674    HZ2  LYS  83           1HZ      LYS  83  15.282 -20.521  28.707
  675    HZ3  LYS  83           2HZ      LYS  83  15.724 -18.941  28.764
  676    H    ASN  84           H        ASN  84  21.834 -18.071  25.134
  677    HA   ASN  84           HA       ASN  84  23.939 -19.708  26.299
  678    HB2  ASN  84           2HB      ASN  84  23.484 -19.638  23.878
  679    HB3  ASN  84           3HB      ASN  84  23.865 -17.910  23.849
  680   HD21  ASN  84          2HD2      ASN  84  26.011 -17.246  23.755
  681   HD22  ASN  84          1HD2      ASN  84  27.358 -18.364  23.698
  682    H    TYR  85           H        TYR  85  23.024 -16.316  26.337
  683    HA   TYR  85           HA       TYR  85  25.681 -15.301  26.918
  684    HB2  TYR  85           2HB      TYR  85  23.851 -14.041  25.780
  685    HB3  TYR  85           3HB      TYR  85  22.932 -14.057  27.293
  686    HD1  TYR  85           HD1      TYR  85  25.888 -12.715  25.537
  687    HD2  TYR  85           HD2      TYR  85  23.531 -12.597  29.127
  688    HE1  TYR  85           HE1      TYR  85  27.057 -10.637  26.223
  689    HE2  TYR  85           HE2      TYR  85  24.678 -10.505  29.819
  690    HH   TYR  85           HH       TYR  85  27.236  -8.992  27.809
  691    H    LEU  86           H        LEU  86  22.826 -16.307  28.825
  692    HA   LEU  86           HA       LEU  86  23.934 -15.287  31.309
  693    HB2  LEU  86           2HB      LEU  86  21.657 -17.212  30.715
  694    HB3  LEU  86           3HB      LEU  86  22.088 -16.641  32.335
  695    HG   LEU  86           HG       LEU  86  21.162 -14.878  30.040
  696   HD11  LEU  86          1HD1      LEU  86  19.204 -14.572  31.565
  697   HD12  LEU  86          2HD1      LEU  86  19.393 -16.263  31.046
  698   HD13  LEU  86          3HD1      LEU  86  19.900 -15.767  32.677
  699   HD21  LEU  86          3HD2      LEU  86  21.088 -13.114  31.821
  700   HD22  LEU  86          1HD2      LEU  86  21.929 -14.227  32.922
  701   HD23  LEU  86          2HD2      LEU  86  22.740 -13.633  31.450
  702    H    VAL  87           H        VAL  87  24.111 -18.431  29.595
  703    HA   VAL  87           HA       VAL  87  25.307 -19.697  31.941
  704    HB   VAL  87           HB       VAL  87  25.791 -21.575  30.438
  705   HG11  VAL  87          1HG1      VAL  87  23.591 -21.379  31.553
  706   HG12  VAL  87          2HG1      VAL  87  22.964 -20.474  30.156
  707   HG13  VAL  87          3HG1      VAL  87  23.450 -22.172  29.965
  708   HG21  VAL  87          3HG2      VAL  87  26.242 -20.340  28.359
  709   HG22  VAL  87          1HG2      VAL  87  24.957 -21.541  28.113
  710   HG23  VAL  87          2HG2      VAL  87  24.540 -19.821  28.290
  711    H    ALA  88           H        ALA  88  26.437 -17.733  29.269
  712    HA   ALA  88           HA       ALA  88  29.183 -18.494  29.334
  713    HB1  ALA  88           1HB      ALA  88  29.555 -16.299  28.278
  714    HB2  ALA  88           2HB      ALA  88  28.142 -17.104  27.558
  715    HB3  ALA  88           3HB      ALA  88  27.920 -15.784  28.736
  716    H    GLN  89           H        GLN  89  27.174 -16.601  31.501
  717    HA   GLN  89           HA       GLN  89  29.530 -15.631  33.009
  718    HB2  GLN  89           2HB      GLN  89  26.549 -15.193  33.456
  719    HB3  GLN  89           3HB      GLN  89  27.879 -14.371  34.301
  720    HG2  GLN  89           2HG      GLN  89  28.640 -13.399  32.152
  721    HG3  GLN  89           3HG      GLN  89  27.321 -14.223  31.306
  722   HE21  GLN  89          2HE2      GLN  89  26.604 -12.101  30.578
  723   HE22  GLN  89          1HE2      GLN  89  25.685 -11.078  31.659
  724    H    GLY  90           H        GLY  90  26.986 -18.070  33.074
  725    HA2  GLY  90           2HA      GLY  90  27.285 -18.768  35.850
  726    HA3  GLY  90           3HA      GLY  90  26.474 -19.712  34.584
  727    H    ARG  91           H        ARG  91  29.392 -19.178  33.224
  728    HA   ARG  91           HA       ARG  91  30.756 -21.399  34.662
  729    HB2  ARG  91           2HB      ARG  91  31.474 -22.327  32.569
  730    HB3  ARG  91           3HB      ARG  91  29.719 -22.087  32.494
  731    HG2  ARG  91           2HG      ARG  91  30.201 -19.854  31.329
  732    HG3  ARG  91           3HG      ARG  91  31.890 -20.380  31.207
  733    HD2  ARG  91           2HD      ARG  91  31.159 -22.416  29.994
  734    HD3  ARG  91           3HD      ARG  91  29.473 -21.889  30.136
  735    HE   ARG  91           HE       ARG  91  31.348 -20.020  28.819
  736   HH11  ARG  91          1HH1      ARG  91  28.835 -22.485  28.454
  737   HH12  ARG  91          2HH1      ARG  91  28.452 -22.010  26.814
  738   HH21  ARG  91          1HH2      ARG  91  30.820 -19.428  26.686
  739   HH22  ARG  91          2HH2      ARG  91  29.564 -20.283  25.822
  740    H    ARG  92           H        ARG  92  30.943 -18.234  34.450
  741    HA   ARG  92           HA       ARG  92  33.915 -18.217  34.282
  742    HB2  ARG  92           2HB      ARG  92  32.939 -17.486  32.118
  743    HB3  ARG  92           3HB      ARG  92  32.021 -16.230  32.962
  744    HG2  ARG  92           2HG      ARG  92  34.124 -15.150  33.683
  745    HG3  ARG  92           3HG      ARG  92  35.061 -16.441  32.898
  746    HD2  ARG  92           2HD      ARG  92  34.084 -15.805  30.714
  747    HD3  ARG  92           3HD      ARG  92  33.116 -14.550  31.512
  748    HE   ARG  92           HE       ARG  92  35.913 -14.207  32.103
  749   HH11  ARG  92          1HH1      ARG  92  33.544 -13.755  29.510
  750   HH12  ARG  92          2HH1      ARG  92  34.426 -12.430  28.784
  751   HH21  ARG  92          1HH2      ARG  92  37.044 -12.498  31.123
  752   HH22  ARG  92          2HH2      ARG  92  36.409 -11.730  29.686
  753    H    LEU  93           H        LEU  93  30.941 -17.061  35.731
  754    HA   LEU  93           HA       LEU  93  32.542 -15.428  37.638
  755    HB2  LEU  93           2HB      LEU  93  29.818 -14.774  36.447
  756    HB3  LEU  93           3HB      LEU  93  30.623 -13.849  37.727
  757    HG   LEU  93           HG       LEU  93  31.736 -14.246  34.917
  758   HD11  LEU  93          1HD1      LEU  93  30.392 -11.843  36.213
  759   HD12  LEU  93          2HD1      LEU  93  31.117 -11.887  34.591
  760   HD13  LEU  93          3HD1      LEU  93  29.681 -12.875  34.951
  761   HD21  LEU  93          3HD2      LEU  93  32.590 -12.434  37.225
  762   HD22  LEU  93          1HD2      LEU  93  33.495 -13.844  36.628
  763   HD23  LEU  93          2HD2      LEU  93  33.283 -12.425  35.585
  764    H    GLU  94           H        GLU  94  31.085 -18.251  37.439
  765    HA   GLU  94           HA       GLU  94  29.174 -18.031  39.638
  766    HB2  GLU  94           2HB      GLU  94  28.979 -19.509  37.592
  767    HB3  GLU  94           3HB      GLU  94  30.284 -20.499  38.256
  768    HG2  GLU  94           2HG      GLU  94  28.130 -21.501  38.791
  769    HG3  GLU  94           3HG      GLU  94  28.881 -20.926  40.281
  770    H    LEU  95           H        LEU  95  32.562 -18.611  39.234
  771    HA   LEU  95           HA       LEU  95  34.252 -19.119  40.604
  772    HB2  LEU  95           2HB      LEU  95  32.463 -17.893  42.720
  773    HB3  LEU  95           3HB      LEU  95  34.225 -18.066  42.801
  774    HG   LEU  95           HG       LEU  95  32.686 -16.388  40.776
  775   HD11  LEU  95          1HD1      LEU  95  33.724 -14.495  41.957
  776   HD12  LEU  95          2HD1      LEU  95  32.718 -15.457  43.065
  777   HD13  LEU  95          3HD1      LEU  95  34.490 -15.615  43.104
  778   HD21  LEU  95          3HD2      LEU  95  34.763 -17.266  39.773
  779   HD22  LEU  95          1HD2      LEU  95  34.937 -15.545  40.132
  780   HD23  LEU  95          2HD2      LEU  95  35.684 -16.745  41.209
  781    H    VAL  96           H        VAL  96  32.029 -21.266  40.455
  782    HA   VAL  96           HA       VAL  96  32.407 -22.642  43.006
  783    HB   VAL  96           HB       VAL  96  31.199 -24.515  41.812
  784   HG11  VAL  96          1HG1      VAL  96  29.887 -21.775  41.953
  785   HG12  VAL  96          2HG1      VAL  96  29.029 -23.334  41.881
  786   HG13  VAL  96          3HG1      VAL  96  30.051 -22.939  43.281
  787   HG21  VAL  96          3HG2      VAL  96  30.826 -22.399  39.654
  788   HG22  VAL  96          1HG2      VAL  96  31.792 -23.890  39.487
  789   HG23  VAL  96          2HG2      VAL  96  30.035 -23.983  39.724
  790    HA   PRO  97           HA       PRO  97  36.060 -24.849  41.909
  791    HB2  PRO  97           2HB      PRO  97  35.902 -27.035  43.515
  792    HB3  PRO  97           3HB      PRO  97  36.079 -25.381  44.188
  793    HG2  PRO  97           2HG      PRO  97  33.518 -26.966  43.806
  794    HG3  PRO  97           3HG      PRO  97  34.094 -26.146  45.301
  795    HD2  PRO  97           2HD      PRO  97  32.335 -24.952  43.605
  796    HD3  PRO  97           3HD      PRO  97  33.624 -24.005  44.409
  797    H    ARG  98           H        ARG  98  36.825 -26.996  41.083
  798    HA   ARG  98           HA       ARG  98  34.739 -28.535  39.613
  799    HB2  ARG  98           2HB      ARG  98  37.330 -27.399  38.491
  800    HB3  ARG  98           3HB      ARG  98  36.288 -28.552  37.645
  801    HG2  ARG  98           2HG      ARG  98  35.462 -25.754  38.533
  802    HG3  ARG  98           3HG      ARG  98  35.927 -26.217  36.892
  803    HD2  ARG  98           2HD      ARG  98  33.555 -27.338  38.436
  804    HD3  ARG  98           3HD      ARG  98  33.479 -26.117  37.161
  805    HE   ARG  98           HE       ARG  98  34.690 -28.036  35.787
  806   HH11  ARG  98          1HH1      ARG  98  32.022 -28.364  38.089
  807   HH12  ARG  98          2HH1      ARG  98  31.365 -29.777  37.295
  808   HH21  ARG  98          1HH2      ARG  98  33.792 -29.867  34.771
  809   HH22  ARG  98          2HH2      ARG  98  32.364 -30.625  35.437
  810    H    GLY  99           H        GLY  99  35.568 -30.629  38.816
  811    HA2  GLY  99           2HA      GLY  99  36.821 -32.565  39.015
  812    HA3  GLY  99           3HA      GLY  99  37.981 -31.714  40.052
  813    H    SER 100           H        SER 100  34.968 -31.040  41.312
  814    HA   SER 100           HA       SER 100  35.177 -33.251  43.288
  815    HB2  SER 100           2HB      SER 100  33.766 -30.563  43.456
  816    HB3  SER 100           3HB      SER 100  33.878 -31.771  44.757
  817    HG   SER 100           HG       SER 100  35.495 -30.140  44.909
  818    H    HIS 101           H        HIS 101  33.611 -32.692  40.476
  819    HA   HIS 101           HA       HIS 101  30.907 -33.471  41.304
  820    HB2  HIS 101           2HB      HIS 101  30.424 -33.246  38.898
  821    HB3  HIS 101           3HB      HIS 101  31.194 -31.801  39.563
  822    HD2  HIS 101           HD2      HIS 101  31.625 -34.450  36.899
  823    HE1  HIS 101           HE1      HIS 101  35.220 -32.176  36.821
  824    HE2  HIS 101           HE2      HIS 101  33.856 -33.958  35.615
  825    H    HIS 102           H        HIS 102  29.823 -35.308  40.218
  826    HA   HIS 102           HA       HIS 102  31.614 -37.536  39.455
  827    HB2  HIS 102           2HB      HIS 102  31.252 -37.586  41.936
  828    HB3  HIS 102           3HB      HIS 102  29.518 -37.760  41.642
  829    HD2  HIS 102           HD2      HIS 102  28.874 -40.207  42.106
  830    HE1  HIS 102           HE1      HIS 102  32.182 -42.210  40.339
  831    HE2  HIS 102           HE2      HIS 102  29.950 -42.523  41.525
  832    H    HIS 103           H        HIS 103  29.295 -35.650  38.419
  833    HA   HIS 103           HA       HIS 103  27.491 -35.769  37.079
  834    HB2  HIS 103           2HB      HIS 103  28.681 -38.428  36.244
  835    HB3  HIS 103           3HB      HIS 103  27.508 -37.474  35.332
  836    HD2  HIS 103           HD2      HIS 103  31.135 -38.042  35.570
  837    HE1  HIS 103           HE1      HIS 103  30.834 -34.166  33.841
  838    HE2  HIS 103           HE2      HIS 103  32.403 -36.116  34.319
  839    H    HIS 104           H        HIS 104  27.276 -37.040  39.831
  840    HA   HIS 104           HA       HIS 104  24.617 -38.238  39.389
  841    HB2  HIS 104           2HB      HIS 104  26.188 -40.147  39.400
  842    HB3  HIS 104           3HB      HIS 104  26.838 -39.604  40.954
  843    HD2  HIS 104           HD2      HIS 104  25.856 -40.902  42.946
  844    HE1  HIS 104           HE1      HIS 104  21.991 -41.816  41.426
  845    HE2  HIS 104           HE2      HIS 104  23.570 -42.092  43.407
  846    H    HIS 105           H        HIS 105  23.298 -38.211  41.307
  847    HA   HIS 105           HA       HIS 105  24.313 -36.818  43.684
  848    HB2  HIS 105           2HB      HIS 105  23.727 -35.002  42.090
  849    HB3  HIS 105           3HB      HIS 105  22.091 -35.665  41.959
  850    HD2  HIS 105           HD2      HIS 105  20.490 -34.161  43.302
  851    HE1  HIS 105           HE1      HIS 105  22.901 -33.345  46.709
  852    HE2  HIS 105           HE2      HIS 105  20.621 -32.975  45.635
  853    H    HIS 106           H        HIS 106  22.680 -36.806  45.427
  854    HA   HIS 106           HA       HIS 106  20.371 -38.600  45.066
  855    HB2  HIS 106           2HB      HIS 106  21.052 -40.061  46.894
  856    HB3  HIS 106           3HB      HIS 106  22.225 -40.122  45.580
  857    HD2  HIS 106           HD2      HIS 106  24.595 -38.709  46.010
  858    HE1  HIS 106           HE1      HIS 106  24.260 -38.751  50.248
  859    HE2  HIS 106           HE2      HIS 106  25.831 -38.329  48.287
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   5.091   0.040  -9.253
    2    H2   MET   1           H2       MET   1   3.751   0.996  -9.248
    3    H3   MET   1           H3       MET   1   3.717  -0.458 -10.020
    4    HA   MET   1           HA       MET   1   2.538  -0.613  -7.967
    5    HB2  MET   1           2HB      MET   1   5.210  -2.064  -7.896
    6    HB3  MET   1           3HB      MET   1   3.795  -2.483  -6.930
    7    HG2  MET   1           2HG      MET   1   3.992  -2.522  -9.964
    8    HG3  MET   1           3HG      MET   1   3.941  -3.918  -8.896
    9    HE1  MET   1           1HE      MET   1   1.827  -4.759  -7.610
   10    HE2  MET   1           2HE      MET   1   1.683  -3.190  -6.780
   11    HE3  MET   1           3HE      MET   1   0.264  -3.906  -7.578
   12    H    SER   2           H        SER   2   2.765  -0.774  -5.566
   13    HA   SER   2           HA       SER   2   4.841   0.998  -4.440
   14    HB2  SER   2           2HB      SER   2   2.817   2.366  -5.103
   15    HB3  SER   2           3HB      SER   2   1.891   1.447  -3.896
   16    HG   SER   2           HG       SER   2   2.764   3.397  -3.045
   17    H    GLU   3           H        GLU   3   4.152  -1.944  -4.370
   18    HA   GLU   3           HA       GLU   3   3.147  -2.434  -1.689
   19    HB2  GLU   3           2HB      GLU   3   4.512  -4.262  -3.701
   20    HB3  GLU   3           3HB      GLU   3   3.672  -4.780  -2.229
   21    HG2  GLU   3           2HG      GLU   3   2.399  -3.332  -4.587
   22    HG3  GLU   3           3HG      GLU   3   2.245  -5.051  -4.202
   23    H    GLN   4           H        GLN   4   6.123  -1.385  -2.895
   24    HA   GLN   4           HA       GLN   4   8.236  -1.252  -2.110
   25    HB2  GLN   4           2HB      GLN   4   6.986  -1.626   0.623
   26    HB3  GLN   4           3HB      GLN   4   8.499  -0.799   0.238
   27    HG2  GLN   4           2HG      GLN   4   5.713   0.088  -0.622
   28    HG3  GLN   4           3HG      GLN   4   6.670   0.804   0.669
   29   HE21  GLN   4          2HE2      GLN   4   5.655   2.286  -1.525
   30   HE22  GLN   4          1HE2      GLN   4   7.013   2.867  -2.461
   31    H    LEU   5           H        LEU   5   9.757  -2.300  -0.164
   32    HA   LEU   5           HA       LEU   5   9.947  -5.128  -1.011
   33    HB2  LEU   5           2HB      LEU   5  11.928  -3.396   0.499
   34    HB3  LEU   5           3HB      LEU   5  12.243  -4.968  -0.256
   35    HG   LEU   5           HG       LEU   5  11.560  -2.360  -1.676
   36   HD11  LEU   5          1HD1      LEU   5  14.062  -4.093  -1.661
   37   HD12  LEU   5          2HD1      LEU   5  13.836  -2.584  -2.579
   38   HD13  LEU   5          3HD1      LEU   5  13.867  -2.552  -0.796
   39   HD21  LEU   5          3HD2      LEU   5  12.163  -5.101  -2.863
   40   HD22  LEU   5          1HD2      LEU   5  10.580  -4.283  -2.908
   41   HD23  LEU   5          2HD2      LEU   5  11.961  -3.584  -3.773
   42    H    THR   6           H        THR   6  10.489  -6.774   0.528
   43    HA   THR   6           HA       THR   6   9.584  -6.302   3.314
   44    HB   THR   6           HB       THR   6   8.480  -8.490   1.496
   45    HG1  THR   6           1HG      THR   6   7.653  -6.461   0.964
   46   HG21  THR   6          1HG2      THR   6   7.920  -7.677   4.374
   47   HG22  THR   6          2HG2      THR   6   6.791  -8.656   3.401
   48   HG23  THR   6          3HG2      THR   6   8.415  -9.271   3.746
   49    H    ASP   7           H        ASP   7   9.952  -8.488   4.581
   50    HA   ASP   7           HA       ASP   7  12.694  -9.063   4.565
   51    HB2  ASP   7           2HB      ASP   7  12.098 -10.873   6.114
   52    HB3  ASP   7           3HB      ASP   7  11.217  -9.382   6.476
   53    H    GLN   8           H        GLN   8  10.236 -10.313   2.461
   54    HA   GLN   8           HA       GLN   8  11.437 -12.832   1.820
   55    HB2  GLN   8           2HB      GLN   8   9.122 -12.289   1.264
   56    HB3  GLN   8           3HB      GLN   8   9.651 -10.946   0.236
   57    HG2  GLN   8           2HG      GLN   8   9.061 -12.895  -1.143
   58    HG3  GLN   8           3HG      GLN   8  10.778 -12.532  -1.290
   59   HE21  GLN   8          2HE2      GLN   8  12.337 -13.934  -0.259
   60   HE22  GLN   8          1HE2      GLN   8  11.904 -15.563   0.216
   61    H    VAL   9           H        VAL   9  11.599  -9.615   0.219
   62    HA   VAL   9           HA       VAL   9  13.652 -10.583  -1.632
   63    HB   VAL   9           HB       VAL   9  11.967  -9.169  -2.542
   64   HG11  VAL   9          1HG1      VAL   9  12.693  -7.137  -0.407
   65   HG12  VAL   9          2HG1      VAL   9  11.564  -6.879  -1.767
   66   HG13  VAL   9          3HG1      VAL   9  11.174  -8.072  -0.514
   67   HG21  VAL   9          3HG2      VAL   9  14.436  -7.420  -2.167
   68   HG22  VAL   9          1HG2      VAL   9  14.306  -8.758  -3.337
   69   HG23  VAL   9          2HG2      VAL   9  13.251  -7.334  -3.482
   70    H    LEU  10           H        LEU  10  13.498  -8.761   1.399
   71    HA   LEU  10           HA       LEU  10  16.131  -7.609   1.175
   72    HB2  LEU  10           2HB      LEU  10  14.037  -7.971   3.286
   73    HB3  LEU  10           3HB      LEU  10  15.705  -7.761   3.842
   74    HG   LEU  10           HG       LEU  10  15.941  -5.689   2.644
   75   HD11  LEU  10          1HD1      LEU  10  14.544  -6.093   0.683
   76   HD12  LEU  10          2HD1      LEU  10  13.076  -6.083   1.709
   77   HD13  LEU  10          3HD1      LEU  10  14.051  -4.604   1.502
   78   HD21  LEU  10          3HD2      LEU  10  14.952  -5.640   4.904
   79   HD22  LEU  10          1HD2      LEU  10  14.276  -4.339   3.902
   80   HD23  LEU  10          2HD2      LEU  10  13.321  -5.811   4.202
   81    H    VAL  11           H        VAL  11  14.935 -10.825   2.192
   82    HA   VAL  11           HA       VAL  11  17.579 -11.504   3.265
   83    HB   VAL  11           HB       VAL  11  15.069 -13.134   2.792
   84   HG11  VAL  11          1HG1      VAL  11  17.772 -13.963   3.934
   85   HG12  VAL  11          2HG1      VAL  11  16.278 -14.906   4.105
   86   HG13  VAL  11          3HG1      VAL  11  16.967 -14.640   2.495
   87   HG21  VAL  11          3HG2      VAL  11  16.572 -12.255   5.305
   88   HG22  VAL  11          1HG2      VAL  11  15.090 -11.494   4.693
   89   HG23  VAL  11          2HG2      VAL  11  15.055 -13.183   5.255
   90    H    GLU  12           H        GLU  12  15.840 -11.771   0.156
   91    HA   GLU  12           HA       GLU  12  17.770 -13.589  -1.021
   92    HB2  GLU  12           2HB      GLU  12  15.767 -11.616  -2.167
   93    HB3  GLU  12           3HB      GLU  12  16.799 -12.645  -3.170
   94    HG2  GLU  12           2HG      GLU  12  15.874 -14.663  -2.074
   95    HG3  GLU  12           3HG      GLU  12  14.812 -13.640  -1.088
   96    H    ARG  13           H        ARG  13  17.492 -10.030  -0.726
   97    HA   ARG  13           HA       ARG  13  19.575  -9.488  -2.620
   98    HB2  ARG  13           2HB      ARG  13  17.811  -7.902  -2.098
   99    HB3  ARG  13           3HB      ARG  13  18.325  -7.813  -0.403
  100    HG2  ARG  13           2HG      ARG  13  20.373  -6.751  -0.970
  101    HG3  ARG  13           3HG      ARG  13  20.171  -7.105  -2.709
  102    HD2  ARG  13           2HD      ARG  13  18.339  -5.300  -1.075
  103    HD3  ARG  13           3HD      ARG  13  19.676  -4.713  -2.074
  104    HE   ARG  13           HE       ARG  13  17.069  -5.640  -2.978
  105   HH11  ARG  13          1HH1      ARG  13  20.464  -5.181  -3.953
  106   HH12  ARG  13          2HH1      ARG  13  20.063  -5.079  -5.646
  107   HH21  ARG  13          1HH2      ARG  13  16.620  -5.528  -5.199
  108   HH22  ARG  13          2HH2      ARG  13  17.910  -5.275  -6.350
  109    H    VAL  14           H        VAL  14  19.599  -9.979   0.941
  110    HA   VAL  14           HA       VAL  14  22.381  -9.184   1.151
  111    HB   VAL  14           HB       VAL  14  22.267 -10.148   3.405
  112   HG11  VAL  14          1HG1      VAL  14  19.870  -8.463   2.563
  113   HG12  VAL  14          2HG1      VAL  14  20.388  -8.705   4.237
  114   HG13  VAL  14          3HG1      VAL  14  21.471  -7.881   3.080
  115   HG21  VAL  14          3HG2      VAL  14  20.828 -12.091   3.013
  116   HG22  VAL  14          1HG2      VAL  14  20.120 -11.020   4.246
  117   HG23  VAL  14          2HG2      VAL  14  19.474 -11.013   2.588
  118    H    GLN  15           H        GLN  15  20.723 -12.165   0.270
  119    HA   GLN  15           HA       GLN  15  23.108 -13.820   0.591
  120    HB2  GLN  15           2HB      GLN  15  20.425 -14.239  -0.773
  121    HB3  GLN  15           3HB      GLN  15  21.700 -15.469  -0.707
  122    HG2  GLN  15           2HG      GLN  15  21.653 -15.469   1.738
  123    HG3  GLN  15           3HG      GLN  15  20.469 -14.177   1.765
  124   HE21  GLN  15          2HE2      GLN  15  19.850 -16.488   3.111
  125   HE22  GLN  15          1HE2      GLN  15  18.602 -17.361   2.248
  126    H    LYS  16           H        LYS  16  21.967 -11.524  -1.715
  127    HA   LYS  16           HA       LYS  16  23.576 -12.650  -3.907
  128    HB2  LYS  16           2HB      LYS  16  21.611 -10.367  -3.679
  129    HB3  LYS  16           3HB      LYS  16  22.577 -10.656  -5.146
  130    HG2  LYS  16           2HG      LYS  16  21.656 -12.870  -5.420
  131    HG3  LYS  16           3HG      LYS  16  20.862 -12.811  -3.832
  132    HD2  LYS  16           2HD      LYS  16  19.482 -10.889  -4.642
  133    HD3  LYS  16           3HD      LYS  16  20.191 -11.104  -6.262
  134    HE2  LYS  16           2HE      LYS  16  19.356 -13.452  -6.292
  135    HE3  LYS  16           3HE      LYS  16  18.665 -13.220  -4.678
  136    HZ1  LYS  16           3HZ      LYS  16  17.246 -11.511  -5.611
  137    HZ2  LYS  16           1HZ      LYS  16  17.891 -11.742  -7.108
  138    HZ3  LYS  16           2HZ      LYS  16  17.024 -12.937  -6.393
  139    H    GLY  17           H        GLY  17  24.306 -10.905  -1.202
  140    HA2  GLY  17           2HA      GLY  17  26.625 -10.388  -0.893
  141    HA3  GLY  17           3HA      GLY  17  26.726  -9.852  -2.573
  142    H    ASP  18           H        ASP  18  23.830  -8.604  -1.369
  143    HA   ASP  18           HA       ASP  18  25.093  -5.962  -0.918
  144    HB2  ASP  18           2HB      ASP  18  22.311  -6.980  -1.503
  145    HB3  ASP  18           3HB      ASP  18  22.563  -5.350  -0.890
  146    H    GLN  19           H        GLN  19  26.026  -6.476   1.164
  147    HA   GLN  19           HA       GLN  19  24.469  -7.387   3.367
  148    HB2  GLN  19           2HB      GLN  19  26.917  -7.498   3.179
  149    HB3  GLN  19           3HB      GLN  19  27.037  -5.742   3.286
  150    HG2  GLN  19           2HG      GLN  19  25.664  -7.380   5.448
  151    HG3  GLN  19           3HG      GLN  19  27.421  -7.217   5.421
  152   HE21  GLN  19          2HE2      GLN  19  26.096  -6.331   7.632
  153   HE22  GLN  19          1HE2      GLN  19  26.123  -4.578   7.690
  154    H    LYS  20           H        LYS  20  24.667  -4.306   1.770
  155    HA   LYS  20           HA       LYS  20  23.912  -2.556   3.879
  156    HB2  LYS  20           2HB      LYS  20  23.224  -1.078   2.037
  157    HB3  LYS  20           3HB      LYS  20  24.779  -1.851   1.674
  158    HG2  LYS  20           2HG      LYS  20  23.556  -3.565   0.295
  159    HG3  LYS  20           3HG      LYS  20  22.050  -2.681   0.591
  160    HD2  LYS  20           2HD      LYS  20  23.042  -0.665  -0.474
  161    HD3  LYS  20           3HD      LYS  20  24.535  -1.593  -0.784
  162    HE2  LYS  20           2HE      LYS  20  23.239  -3.219  -2.132
  163    HE3  LYS  20           3HE      LYS  20  21.762  -2.289  -1.833
  164    HZ1  LYS  20           3HZ      LYS  20  24.149  -1.297  -3.240
  165    HZ2  LYS  20           1HZ      LYS  20  22.740  -1.763  -3.951
  166    HZ3  LYS  20           2HZ      LYS  20  22.764  -0.442  -2.978
  167    H    ALA  21           H        ALA  21  22.066  -4.962   2.068
  168    HA   ALA  21           HA       ALA  21  19.506  -3.780   2.823
  169    HB1  ALA  21           1HB      ALA  21  18.574  -5.805   1.756
  170    HB2  ALA  21           2HB      ALA  21  19.752  -4.984   0.705
  171    HB3  ALA  21           3HB      ALA  21  20.213  -6.467   1.576
  172    H    PHE  22           H        PHE  22  21.840  -5.947   4.288
  173    HA   PHE  22           HA       PHE  22  19.888  -7.228   6.040
  174    HB2  PHE  22           2HB      PHE  22  22.053  -8.297   5.464
  175    HB3  PHE  22           3HB      PHE  22  22.905  -7.002   6.300
  176    HD1  PHE  22           HD2      PHE  22  20.138  -9.491   6.878
  177    HD2  PHE  22           HD1      PHE  22  23.474  -7.350   8.558
  178    HE1  PHE  22           HE2      PHE  22  19.852 -10.714   8.999
  179    HE2  PHE  22           HE1      PHE  22  23.169  -8.566  10.696
  180    HZ   PHE  22           HZ       PHE  22  21.361 -10.239  10.925
  181    H    ASN  23           H        ASN  23  22.077  -4.407   6.137
  182    HA   ASN  23           HA       ASN  23  21.746  -3.742   8.888
  183    HB2  ASN  23           2HB      ASN  23  23.499  -2.736   7.600
  184    HB3  ASN  23           3HB      ASN  23  22.366  -2.215   6.348
  185   HD21  ASN  23          2HD2      ASN  23  21.316  -0.270   6.510
  186   HD22  ASN  23          1HD2      ASN  23  21.516   0.832   7.853
  187    H    LEU  24           H        LEU  24  19.897  -2.874   5.949
  188    HA   LEU  24           HA       LEU  24  18.005  -1.257   7.426
  189    HB2  LEU  24           2HB      LEU  24  17.895  -2.428   4.625
  190    HB3  LEU  24           3HB      LEU  24  16.790  -1.199   5.294
  191    HG   LEU  24           HG       LEU  24  19.801  -0.819   5.041
  192   HD11  LEU  24          1HD1      LEU  24  17.542   0.142   3.237
  193   HD12  LEU  24          2HD1      LEU  24  19.256   0.598   3.094
  194   HD13  LEU  24          3HD1      LEU  24  18.762  -1.093   2.837
  195   HD21  LEU  24          3HD2      LEU  24  19.214   1.573   5.347
  196   HD22  LEU  24          1HD2      LEU  24  17.508   1.121   5.571
  197   HD23  LEU  24          2HD2      LEU  24  18.735   0.609   6.754
  198    H    LEU  25           H        LEU  25  18.341  -4.668   6.832
  199    HA   LEU  25           HA       LEU  25  15.503  -5.250   7.243
  200    HB2  LEU  25           2HB      LEU  25  16.878  -6.669   5.790
  201    HB3  LEU  25           3HB      LEU  25  17.997  -6.988   7.118
  202    HG   LEU  25           HG       LEU  25  16.190  -8.152   8.362
  203   HD11  LEU  25          1HD1      LEU  25  14.108  -8.744   7.178
  204   HD12  LEU  25          2HD1      LEU  25  14.223  -6.991   7.399
  205   HD13  LEU  25          3HD1      LEU  25  14.580  -7.722   5.806
  206   HD21  LEU  25          3HD2      LEU  25  16.081 -10.122   6.848
  207   HD22  LEU  25          1HD2      LEU  25  16.653  -9.108   5.505
  208   HD23  LEU  25          2HD2      LEU  25  17.709  -9.414   6.900
  209    H    VAL  26           H        VAL  26  18.537  -5.377   9.240
  210    HA   VAL  26           HA       VAL  26  17.118  -6.659  11.380
  211    HB   VAL  26           HB       VAL  26  19.022  -6.239  12.772
  212   HG11  VAL  26          1HG1      VAL  26  19.148  -8.078  11.153
  213   HG12  VAL  26          2HG1      VAL  26  19.895  -6.991   9.960
  214   HG13  VAL  26          3HG1      VAL  26  20.749  -7.364  11.469
  215   HG21  VAL  26          3HG2      VAL  26  19.551  -3.944  12.175
  216   HG22  VAL  26          1HG2      VAL  26  20.978  -4.973  11.991
  217   HG23  VAL  26          2HG2      VAL  26  20.071  -4.464  10.545
  218    H    VAL  27           H        VAL  27  17.446  -3.219  10.462
  219    HA   VAL  27           HA       VAL  27  16.804  -2.221  13.073
  220    HB   VAL  27           HB       VAL  27  16.138  -0.141  11.884
  221   HG11  VAL  27          1HG1      VAL  27  18.363   0.312  10.911
  222   HG12  VAL  27          2HG1      VAL  27  18.478  -0.509  12.487
  223   HG13  VAL  27          3HG1      VAL  27  18.744  -1.428  10.985
  224   HG21  VAL  27          3HG2      VAL  27  16.488   0.015   9.467
  225   HG22  VAL  27          1HG2      VAL  27  16.884  -1.712   9.391
  226   HG23  VAL  27          2HG2      VAL  27  15.225  -1.186   9.811
  227    H    ARG  28           H        ARG  28  14.801  -3.608  10.498
  228    HA   ARG  28           HA       ARG  28  12.290  -2.594  11.489
  229    HB2  ARG  28           2HB      ARG  28  12.770  -5.216  10.020
  230    HB3  ARG  28           3HB      ARG  28  11.305  -4.221  10.024
  231    HG2  ARG  28           2HG      ARG  28  12.610  -2.410   8.842
  232    HG3  ARG  28           3HG      ARG  28  13.995  -3.518   8.785
  233    HD2  ARG  28           2HD      ARG  28  12.808  -3.631   6.667
  234    HD3  ARG  28           3HD      ARG  28  12.651  -5.162   7.532
  235    HE   ARG  28           HE       ARG  28  10.517  -3.053   7.440
  236   HH11  ARG  28          1HH1      ARG  28  11.469  -6.465   7.421
  237   HH12  ARG  28          2HH1      ARG  28   9.820  -7.038   7.332
  238   HH21  ARG  28          1HH2      ARG  28   8.390  -3.833   7.302
  239   HH22  ARG  28          2HH2      ARG  28   8.090  -5.555   7.263
  240    H    TYR  29           H        TYR  29  14.364  -5.339  12.229
  241    HA   TYR  29           HA       TYR  29  12.345  -6.423  14.112
  242    HB2  TYR  29           2HB      TYR  29  14.887  -7.554  12.917
  243    HB3  TYR  29           3HB      TYR  29  13.918  -8.372  14.149
  244    HD1  TYR  29           HD2      TYR  29  13.968  -7.204  10.636
  245    HD2  TYR  29           HD1      TYR  29  11.771  -9.339  13.647
  246    HE1  TYR  29           HE2      TYR  29  12.402  -8.019   8.895
  247    HE2  TYR  29           HE1      TYR  29  10.222 -10.195  11.928
  248    HH   TYR  29           HH       TYR  29   9.647 -10.179   9.694
  249    H    GLN  30           H        GLN  30  15.007  -4.323  14.190
  250    HA   GLN  30           HA       GLN  30  16.407  -5.188  16.496
  251    HB2  GLN  30           2HB      GLN  30  17.140  -3.521  14.812
  252    HB3  GLN  30           3HB      GLN  30  15.942  -2.374  15.423
  253    HG2  GLN  30           2HG      GLN  30  17.080  -2.325  17.598
  254    HG3  GLN  30           3HG      GLN  30  18.215  -3.581  17.038
  255   HE21  GLN  30          2HE2      GLN  30  19.205  -2.978  14.745
  256   HE22  GLN  30          1HE2      GLN  30  19.808  -1.340  14.604
  257    H    HIS  31           H        HIS  31  13.368  -3.382  16.119
  258    HA   HIS  31           HA       HIS  31  13.191  -2.877  19.013
  259    HB2  HIS  31           2HB      HIS  31  11.245  -2.471  16.713
  260    HB3  HIS  31           3HB      HIS  31  10.975  -1.952  18.385
  261    HD2  HIS  31           HD2      HIS  31  12.807  -0.055  19.344
  262    HE1  HIS  31           HE1      HIS  31  13.799   1.433  15.483
  263    HE2  HIS  31           HE2      HIS  31  13.951   1.878  17.989
  264    H    LYS  32           H        LYS  32  12.071  -5.244  16.638
  265    HA   LYS  32           HA       LYS  32   9.984  -6.321  18.342
  266    HB2  LYS  32           2HB      LYS  32  11.324  -7.489  15.869
  267    HB3  LYS  32           3HB      LYS  32   9.812  -8.051  16.616
  268    HG2  LYS  32           2HG      LYS  32   8.770  -5.850  16.184
  269    HG3  LYS  32           3HG      LYS  32  10.271  -5.285  15.421
  270    HD2  LYS  32           2HD      LYS  32  10.090  -7.097  13.733
  271    HD3  LYS  32           3HD      LYS  32   8.570  -7.635  14.490
  272    HE2  LYS  32           2HE      LYS  32   7.569  -5.419  14.059
  273    HE3  LYS  32           3HE      LYS  32   9.082  -4.881  13.305
  274    HZ1  LYS  32           3HZ      LYS  32   8.784  -6.588  11.642
  275    HZ2  LYS  32           1HZ      LYS  32   7.393  -7.102  12.356
  276    HZ3  LYS  32           2HZ      LYS  32   7.464  -5.607  11.677
  277    H    VAL  33           H        VAL  33  13.383  -7.296  17.607
  278    HA   VAL  33           HA       VAL  33  13.041  -9.695  19.231
  279    HB   VAL  33           HB       VAL  33  15.285 -10.240  18.713
  280   HG11  VAL  33          1HG1      VAL  33  15.221 -10.270  16.265
  281   HG12  VAL  33          2HG1      VAL  33  13.614 -10.614  16.948
  282   HG13  VAL  33          3HG1      VAL  33  13.963  -9.012  16.264
  283   HG21  VAL  33          3HG2      VAL  33  16.398  -8.115  19.010
  284   HG22  VAL  33          1HG2      VAL  33  16.778  -8.787  17.415
  285   HG23  VAL  33          2HG2      VAL  33  15.610  -7.449  17.562
  286    H    ALA  34           H        ALA  34  14.170  -6.387  19.711
  287    HA   ALA  34           HA       ALA  34  15.620  -6.950  22.135
  288    HB1  ALA  34           1HB      ALA  34  14.266  -4.401  21.164
  289    HB2  ALA  34           2HB      ALA  34  15.444  -4.519  22.494
  290    HB3  ALA  34           3HB      ALA  34  15.946  -4.891  20.831
  291    H    SER  35           H        SER  35  12.214  -6.637  21.301
  292    HA   SER  35           HA       SER  35  11.326  -6.075  24.010
  293    HB2  SER  35           2HB      SER  35  10.075  -5.415  21.965
  294    HB3  SER  35           3HB      SER  35   9.826  -7.136  21.587
  295    HG   SER  35           HG       SER  35   8.059  -6.213  22.734
  296    H    LEU  36           H        LEU  36  11.454  -8.977  21.885
  297    HA   LEU  36           HA       LEU  36  10.249 -10.641  23.907
  298    HB2  LEU  36           2HB      LEU  36  10.534 -12.441  22.367
  299    HB3  LEU  36           3HB      LEU  36  10.015 -11.006  21.480
  300    HG   LEU  36           HG       LEU  36  12.572 -10.653  21.025
  301   HD11  LEU  36          1HD1      LEU  36  13.475 -12.488  22.461
  302   HD12  LEU  36          2HD1      LEU  36  12.487 -13.660  21.555
  303   HD13  LEU  36          3HD1      LEU  36  13.803 -12.781  20.751
  304   HD21  LEU  36          3HD2      LEU  36  10.979 -12.921  19.759
  305   HD22  LEU  36          1HD2      LEU  36  10.857 -11.201  19.327
  306   HD23  LEU  36          2HD2      LEU  36  12.369 -12.091  19.018
  307    H    VAL  37           H        VAL  37  13.534  -9.641  23.221
  308    HA   VAL  37           HA       VAL  37  14.626 -11.897  24.753
  309    HB   VAL  37           HB       VAL  37  15.640 -10.873  22.629
  310   HG11  VAL  37          1HG1      VAL  37  17.152  -8.985  22.990
  311   HG12  VAL  37          2HG1      VAL  37  15.506  -8.503  23.476
  312   HG13  VAL  37          3HG1      VAL  37  16.709  -8.935  24.713
  313   HG21  VAL  37          3HG2      VAL  37  17.389 -11.227  25.093
  314   HG22  VAL  37          1HG2      VAL  37  16.769 -12.538  24.053
  315   HG23  VAL  37          2HG2      VAL  37  17.914 -11.344  23.397
  316    H    SER  38           H        SER  38  13.572  -8.620  25.401
  317    HA   SER  38           HA       SER  38  15.306  -8.060  27.599
  318    HB2  SER  38           2HB      SER  38  12.580  -7.067  26.744
  319    HB3  SER  38           3HB      SER  38  13.390  -6.483  28.223
  320    HG   SER  38           HG       SER  38  14.271  -6.286  25.550
  321    H    ARG  39           H        ARG  39  12.789 -10.399  27.330
  322    HA   ARG  39           HA       ARG  39  12.410 -10.435  30.266
  323    HB2  ARG  39           2HB      ARG  39  10.666 -12.037  29.899
  324    HB3  ARG  39           3HB      ARG  39  10.425 -10.655  28.816
  325    HG2  ARG  39           2HG      ARG  39  11.480 -11.944  26.971
  326    HG3  ARG  39           3HG      ARG  39  11.667 -13.337  28.062
  327    HD2  ARG  39           2HD      ARG  39   9.667 -13.660  26.718
  328    HD3  ARG  39           3HD      ARG  39   9.195 -13.353  28.400
  329    HE   ARG  39           HE       ARG  39   9.254 -10.882  26.969
  330   HH11  ARG  39          1HH1      ARG  39   7.374 -13.867  27.167
  331   HH12  ARG  39          2HH1      ARG  39   5.885 -13.112  26.652
  332   HH21  ARG  39          1HH2      ARG  39   7.301  -9.917  26.269
  333   HH22  ARG  39          2HH2      ARG  39   5.849 -10.879  26.138
  334    H    TYR  40           H        TYR  40  14.669 -11.605  28.113
  335    HA   TYR  40           HA       TYR  40  15.183 -14.021  29.788
  336    HB2  TYR  40           2HB      TYR  40  16.020 -13.352  26.949
  337    HB3  TYR  40           3HB      TYR  40  16.557 -14.767  27.852
  338    HD1  TYR  40           HD1      TYR  40  14.874 -16.504  28.560
  339    HD2  TYR  40           HD2      TYR  40  13.893 -13.316  25.848
  340    HE1  TYR  40           HE1      TYR  40  12.879 -17.771  27.793
  341    HE2  TYR  40           HE2      TYR  40  11.935 -14.592  25.039
  342    HH   TYR  40           HH       TYR  40  11.057 -17.792  26.390
  343    H    VAL  41           H        VAL  41  16.401 -10.872  28.811
  344    HA   VAL  41           HA       VAL  41  18.574 -11.205  30.783
  345    HB   VAL  41           HB       VAL  41  20.055  -9.809  29.233
  346   HG11  VAL  41          1HG1      VAL  41  19.406 -12.657  28.392
  347   HG12  VAL  41          2HG1      VAL  41  20.912 -11.776  28.056
  348   HG13  VAL  41          3HG1      VAL  41  20.471 -12.181  29.731
  349   HG21  VAL  41          3HG2      VAL  41  18.171 -10.884  27.108
  350   HG22  VAL  41          1HG2      VAL  41  18.287  -9.179  27.604
  351   HG23  VAL  41          2HG2      VAL  41  19.679  -9.984  26.839
  352    HA   PRO  42           HA       PRO  42  17.040  -7.332  32.130
  353    HB2  PRO  42           2HB      PRO  42  19.214  -6.181  33.328
  354    HB3  PRO  42           3HB      PRO  42  18.423  -7.663  33.971
  355    HG2  PRO  42           2HG      PRO  42  20.843  -7.497  32.146
  356    HG3  PRO  42           3HG      PRO  42  20.695  -8.393  33.701
  357    HD2  PRO  42           2HD      PRO  42  20.317  -9.641  31.330
  358    HD3  PRO  42           3HD      PRO  42  19.248 -10.008  32.720
  359    H    SER  43           H        SER  43  17.387  -4.922  31.979
  360    HA   SER  43           HA       SER  43  17.632  -4.222  29.236
  361    HB2  SER  43           2HB      SER  43  17.559  -2.442  31.704
  362    HB3  SER  43           3HB      SER  43  17.222  -1.939  30.034
  363    HG   SER  43           HG       SER  43  15.317  -2.442  31.209
  364    H    GLY  44           H        GLY  44  20.094  -4.610  31.610
  365    HA2  GLY  44           2HA      GLY  44  21.894  -2.598  30.447
  366    HA3  GLY  44           3HA      GLY  44  22.228  -3.702  31.792
  367    H    ASP  45           H        ASP  45  21.120  -5.971  29.932
  368    HA   ASP  45           HA       ASP  45  23.692  -6.359  28.469
  369    HB2  ASP  45           2HB      ASP  45  21.930  -8.346  29.932
  370    HB3  ASP  45           3HB      ASP  45  23.288  -8.787  28.892
  371    H    VAL  46           H        VAL  46  20.370  -5.857  28.038
  372    HA   VAL  46           HA       VAL  46  19.853  -7.748  25.969
  373    HB   VAL  46           HB       VAL  46  18.069  -6.772  27.142
  374   HG11  VAL  46          1HG1      VAL  46  18.730  -4.072  25.905
  375   HG12  VAL  46          2HG1      VAL  46  17.366  -4.473  26.973
  376   HG13  VAL  46          3HG1      VAL  46  19.028  -4.512  27.607
  377   HG21  VAL  46          3HG2      VAL  46  16.618  -6.276  25.291
  378   HG22  VAL  46          1HG2      VAL  46  17.954  -5.593  24.338
  379   HG23  VAL  46          2HG2      VAL  46  17.901  -7.340  24.640
  380    HA   PRO  47           HA       PRO  47  20.790  -4.297  22.869
  381    HB2  PRO  47           2HB      PRO  47  22.766  -2.483  23.278
  382    HB3  PRO  47           3HB      PRO  47  21.110  -2.261  23.944
  383    HG2  PRO  47           2HG      PRO  47  23.546  -3.416  25.351
  384    HG3  PRO  47           3HG      PRO  47  22.479  -2.098  25.923
  385    HD2  PRO  47           2HD      PRO  47  22.142  -4.671  26.711
  386    HD3  PRO  47           3HD      PRO  47  20.723  -3.629  26.414
  387    H    ASP  48           H        ASP  48  23.370  -5.785  24.786
  388    HA   ASP  48           HA       ASP  48  25.172  -5.985  22.498
  389    HB2  ASP  48           2HB      ASP  48  25.950  -5.755  24.867
  390    HB3  ASP  48           3HB      ASP  48  25.256  -7.344  25.218
  391    H    VAL  49           H        VAL  49  22.695  -7.933  24.117
  392    HA   VAL  49           HA       VAL  49  23.383 -10.391  22.727
  393    HB   VAL  49           HB       VAL  49  21.009  -9.483  24.393
  394   HG11  VAL  49          1HG1      VAL  49  21.581 -12.241  23.239
  395   HG12  VAL  49          2HG1      VAL  49  20.330 -11.857  24.446
  396   HG13  VAL  49          3HG1      VAL  49  20.212 -11.184  22.809
  397   HG21  VAL  49          3HG2      VAL  49  23.259 -11.483  24.898
  398   HG22  VAL  49          1HG2      VAL  49  23.190  -9.841  25.566
  399   HG23  VAL  49          2HG2      VAL  49  21.969 -11.042  26.043
  400    H    VAL  50           H        VAL  50  21.226  -7.606  22.128
  401    HA   VAL  50           HA       VAL  50  19.857  -8.876  19.909
  402    HB   VAL  50           HB       VAL  50  20.223  -5.991  20.790
  403   HG11  VAL  50          1HG1      VAL  50  18.534  -7.099  18.505
  404   HG12  VAL  50          2HG1      VAL  50  18.434  -5.444  19.153
  405   HG13  VAL  50          3HG1      VAL  50  19.912  -5.990  18.342
  406   HG21  VAL  50          3HG2      VAL  50  17.822  -7.876  20.758
  407   HG22  VAL  50          1HG2      VAL  50  18.789  -7.494  22.193
  408   HG23  VAL  50          2HG2      VAL  50  17.847  -6.214  21.392
  409    H    GLN  51           H        GLN  51  22.886  -7.008  20.309
  410    HA   GLN  51           HA       GLN  51  23.299  -6.738  17.459
  411    HB2  GLN  51           2HB      GLN  51  24.335  -5.228  19.116
  412    HB3  GLN  51           3HB      GLN  51  25.268  -6.591  19.778
  413    HG2  GLN  51           2HG      GLN  51  26.409  -6.899  17.649
  414    HG3  GLN  51           3HG      GLN  51  25.406  -5.660  16.883
  415   HE21  GLN  51          2HE2      GLN  51  27.882  -5.071  16.459
  416   HE22  GLN  51          1HE2      GLN  51  28.540  -3.899  17.578
  417    H    GLU  52           H        GLU  52  24.415  -9.095  19.984
  418    HA   GLU  52           HA       GLU  52  26.038 -10.568  18.142
  419    HB2  GLU  52           2HB      GLU  52  26.223 -10.731  20.616
  420    HB3  GLU  52           3HB      GLU  52  24.626 -11.513  20.676
  421    HG2  GLU  52           2HG      GLU  52  25.484 -13.336  19.210
  422    HG3  GLU  52           3HG      GLU  52  27.076 -12.564  19.192
  423    H    ALA  53           H        ALA  53  22.554 -10.568  18.880
  424    HA   ALA  53           HA       ALA  53  21.999 -13.063  17.581
  425    HB1  ALA  53           1HB      ALA  53  20.220 -10.652  18.126
  426    HB2  ALA  53           2HB      ALA  53  19.662 -12.277  17.661
  427    HB3  ALA  53           3HB      ALA  53  20.479 -12.032  19.219
  428    H    PHE  54           H        PHE  54  22.421  -9.720  16.393
  429    HA   PHE  54           HA       PHE  54  21.363 -10.472  13.755
  430    HB2  PHE  54           2HB      PHE  54  22.637  -7.943  14.838
  431    HB3  PHE  54           3HB      PHE  54  22.105  -8.134  13.178
  432    HD1  PHE  54           HD2      PHE  54  19.540  -9.756  13.733
  433    HD2  PHE  54           HD1      PHE  54  21.155  -6.192  15.533
  434    HE1  PHE  54           HE2      PHE  54  17.261  -9.036  14.356
  435    HE2  PHE  54           HE1      PHE  54  18.852  -5.449  16.093
  436    HZ   PHE  54           HZ       PHE  54  16.914  -6.872  15.504
  437    H    ILE  55           H        ILE  55  24.532 -10.201  15.348
  438    HA   ILE  55           HA       ILE  55  26.021 -10.427  12.861
  439    HB   ILE  55           HB       ILE  55  26.747 -11.021  15.755
  440   HG12  ILE  55          2HG1      ILE  55  27.424  -8.617  13.996
  441   HG13  ILE  55          3HG1      ILE  55  26.137  -8.634  15.195
  442   HG21  ILE  55          1HG2      ILE  55  29.099 -10.966  14.968
  443   HG22  ILE  55          2HG2      ILE  55  28.201 -12.260  14.180
  444   HG23  ILE  55          3HG2      ILE  55  28.532 -10.757  13.292
  445   HD11  ILE  55          3HD1      ILE  55  28.118  -7.601  16.151
  446   HD12  ILE  55          1HD1      ILE  55  27.814  -9.144  16.977
  447   HD13  ILE  55          2HD1      ILE  55  29.111  -9.015  15.763
  448    H    LYS  56           H        LYS  56  24.635 -12.655  15.271
  449    HA   LYS  56           HA       LYS  56  25.796 -15.041  14.096
  450    HB2  LYS  56           2HB      LYS  56  25.266 -14.726  16.486
  451    HB3  LYS  56           3HB      LYS  56  23.539 -14.601  16.094
  452    HG2  LYS  56           2HG      LYS  56  23.581 -16.916  15.197
  453    HG3  LYS  56           3HG      LYS  56  25.302 -17.039  15.610
  454    HD2  LYS  56           2HD      LYS  56  22.994 -16.568  17.547
  455    HD3  LYS  56           3HD      LYS  56  23.928 -18.074  17.372
  456    HE2  LYS  56           2HE      LYS  56  25.983 -16.861  18.062
  457    HE3  LYS  56           3HE      LYS  56  25.040 -15.369  18.228
  458    HZ1  LYS  56           3HZ      LYS  56  25.332 -16.413  20.328
  459    HZ2  LYS  56           1HZ      LYS  56  23.737 -16.450  19.917
  460    HZ3  LYS  56           2HZ      LYS  56  24.650 -17.817  19.806
  461    H    ALA  57           H        ALA  57  22.753 -13.209  13.757
  462    HA   ALA  57           HA       ALA  57  21.352 -15.321  12.382
  463    HB1  ALA  57           1HB      ALA  57  20.970 -12.302  12.368
  464    HB2  ALA  57           2HB      ALA  57  19.839 -13.475  11.664
  465    HB3  ALA  57           3HB      ALA  57  20.131 -13.476  13.415
  466    H    TYR  58           H        TYR  58  23.402 -12.553  11.253
  467    HA   TYR  58           HA       TYR  58  22.809 -12.892   8.504
  468    HB2  TYR  58           2HB      TYR  58  23.940 -10.933   9.574
  469    HB3  TYR  58           3HB      TYR  58  25.377 -11.932   9.814
  470    HD1  TYR  58           HD1      TYR  58  23.019 -10.925   7.060
  471    HD2  TYR  58           HD2      TYR  58  27.060 -11.840   8.216
  472    HE1  TYR  58           HE1      TYR  58  23.807 -10.255   4.812
  473    HE2  TYR  58           HE2      TYR  58  27.854 -11.216   5.956
  474    HH   TYR  58           HH       TYR  58  25.613 -10.064   3.403
  475    H    ARG  59           H        ARG  59  25.270 -14.414  10.595
  476    HA   ARG  59           HA       ARG  59  26.662 -15.749   8.457
  477    HB2  ARG  59           2HB      ARG  59  26.502 -16.229  11.460
  478    HB3  ARG  59           3HB      ARG  59  27.663 -17.026  10.375
  479    HG2  ARG  59           2HG      ARG  59  28.692 -14.925   9.800
  480    HG3  ARG  59           3HG      ARG  59  27.427 -13.993  10.630
  481    HD2  ARG  59           2HD      ARG  59  28.075 -14.900  12.785
  482    HD3  ARG  59           3HD      ARG  59  29.237 -15.996  12.002
  483    HE   ARG  59           HE       ARG  59  29.874 -13.320  11.271
  484   HH11  ARG  59          1HH1      ARG  59  29.881 -15.387  14.147
  485   HH12  ARG  59          2HH1      ARG  59  31.202 -14.525  14.900
  486   HH21  ARG  59          1HH2      ARG  59  31.595 -12.222  12.283
  487   HH22  ARG  59          2HH2      ARG  59  32.159 -12.737  13.854
  488    H    ALA  60           H        ALA  60  23.800 -16.478  10.354
  489    HA   ALA  60           HA       ALA  60  23.694 -19.246   9.298
  490    HB1  ALA  60           1HB      ALA  60  21.873 -17.744  11.216
  491    HB2  ALA  60           2HB      ALA  60  21.784 -19.478  10.820
  492    HB3  ALA  60           3HB      ALA  60  23.201 -18.836  11.682
  493    H    LEU  61           H        LEU  61  22.695 -16.112   8.354
  494    HA   LEU  61           HA       LEU  61  20.130 -16.813   7.244
  495    HB2  LEU  61           2HB      LEU  61  20.943 -14.500   7.996
  496    HB3  LEU  61           3HB      LEU  61  21.948 -14.478   6.538
  497    HG   LEU  61           HG       LEU  61  19.842 -14.785   5.180
  498   HD11  LEU  61          1HD1      LEU  61  18.582 -14.348   7.915
  499   HD12  LEU  61          2HD1      LEU  61  17.698 -14.237   6.373
  500   HD13  LEU  61          3HD1      LEU  61  18.384 -15.792   6.887
  501   HD21  LEU  61          3HD2      LEU  61  20.869 -12.575   5.599
  502   HD22  LEU  61          1HD2      LEU  61  19.087 -12.460   5.525
  503   HD23  LEU  61          2HD2      LEU  61  19.920 -12.420   7.098
  504    H    ASP  62           H        ASP  62  23.471 -16.955   6.174
  505    HA   ASP  62           HA       ASP  62  22.952 -17.296   3.375
  506    HB2  ASP  62           2HB      ASP  62  25.150 -16.722   4.398
  507    HB3  ASP  62           3HB      ASP  62  25.226 -18.342   5.107
  508    H    SER  63           H        SER  63  22.156 -19.230   6.073
  509    HA   SER  63           HA       SER  63  22.042 -21.705   4.428
  510    HB2  SER  63           2HB      SER  63  22.028 -21.350   7.448
  511    HB3  SER  63           3HB      SER  63  21.977 -22.891   6.568
  512    HG   SER  63           HG       SER  63  24.100 -22.313   7.225
  513    H    PHE  64           H        PHE  64  20.103 -19.153   5.307
  514    HA   PHE  64           HA       PHE  64  17.690 -20.565   6.061
  515    HB2  PHE  64           2HB      PHE  64  18.156 -18.224   6.659
  516    HB3  PHE  64           3HB      PHE  64  18.165 -17.782   4.951
  517    HD1  PHE  64           HD1      PHE  64  15.982 -19.275   7.601
  518    HD2  PHE  64           HD2      PHE  64  16.170 -17.119   3.890
  519    HE1  PHE  64           HE1      PHE  64  13.542 -18.871   7.716
  520    HE2  PHE  64           HE2      PHE  64  13.730 -16.703   4.009
  521    HZ   PHE  64           HZ       PHE  64  12.412 -17.581   5.915
  522    H    ARG  65           H        ARG  65  15.879 -21.036   4.741
  523    HA   ARG  65           HA       ARG  65  16.355 -20.946   1.803
  524    HB2  ARG  65           2HB      ARG  65  15.508 -23.398   3.391
  525    HB3  ARG  65           3HB      ARG  65  15.568 -23.276   1.623
  526    HG2  ARG  65           2HG      ARG  65  18.014 -22.792   1.745
  527    HG3  ARG  65           3HG      ARG  65  17.944 -22.983   3.509
  528    HD2  ARG  65           2HD      ARG  65  18.735 -25.046   2.543
  529    HD3  ARG  65           3HD      ARG  65  17.115 -25.307   3.213
  530    HE   ARG  65           HE       ARG  65  16.903 -24.592   0.452
  531   HH11  ARG  65          1HH1      ARG  65  17.931 -27.275   2.516
  532   HH12  ARG  65          2HH1      ARG  65  17.562 -28.490   1.315
  533   HH21  ARG  65          1HH2      ARG  65  16.437 -26.201  -1.093
  534   HH22  ARG  65          2HH2      ARG  65  16.745 -27.886  -0.731
  535    H    GLY  66           H        GLY  66  14.345 -19.917   4.180
  536    HA2  GLY  66           2HA      GLY  66  12.225 -19.030   4.028
  537    HA3  GLY  66           3HA      GLY  66  12.166 -19.513   2.324
  538    H    ASP  67           H        ASP  67  12.946 -22.078   4.542
  539    HA   ASP  67           HA       ASP  67  10.534 -23.509   3.929
  540    HB2  ASP  67           2HB      ASP  67  12.747 -24.541   4.374
  541    HB3  ASP  67           3HB      ASP  67  12.654 -23.994   6.052
  542    H    SER  68           H        SER  68  11.212 -21.033   6.161
  543    HA   SER  68           HA       SER  68   8.580 -21.356   7.432
  544    HB2  SER  68           2HB      SER  68   9.516 -20.979   9.676
  545    HB3  SER  68           3HB      SER  68  10.120 -22.492   8.981
  546    HG   SER  68           HG       SER  68  11.791 -21.243   9.919
  547    H    ALA  69           H        ALA  69   8.118 -19.246   8.750
  548    HA   ALA  69           HA       ALA  69   8.614 -17.025   7.000
  549    HB1  ALA  69           1HB      ALA  69   7.520 -17.096   9.843
  550    HB2  ALA  69           2HB      ALA  69   7.400 -15.735   8.700
  551    HB3  ALA  69           3HB      ALA  69   6.562 -17.264   8.355
  552    H    PHE  70           H        PHE  70   9.915 -15.165   7.308
  553    HA   PHE  70           HA       PHE  70  12.472 -15.765   8.436
  554    HB2  PHE  70           2HB      PHE  70  12.230 -14.263   6.530
  555    HB3  PHE  70           3HB      PHE  70  11.246 -13.153   7.495
  556    HD1  PHE  70           HD1      PHE  70  14.608 -14.838   7.671
  557    HD2  PHE  70           HD2      PHE  70  12.296 -11.289   8.402
  558    HE1  PHE  70           HE1      PHE  70  16.643 -13.675   8.454
  559    HE2  PHE  70           HE2      PHE  70  14.338 -10.120   9.169
  560    HZ   PHE  70           HZ       PHE  70  16.525 -11.309   9.183
  561    H    TYR  71           H        TYR  71   9.652 -13.933   9.707
  562    HA   TYR  71           HA       TYR  71  11.183 -12.713  11.798
  563    HB2  TYR  71           2HB      TYR  71   9.043 -12.098  12.759
  564    HB3  TYR  71           3HB      TYR  71   9.057 -11.793  11.025
  565    HD1  TYR  71           HD1      TYR  71   7.769 -14.026  13.692
  566    HD2  TYR  71           HD2      TYR  71   7.495 -12.887   9.552
  567    HE1  TYR  71           HE1      TYR  71   5.668 -15.328  13.479
  568    HE2  TYR  71           HE2      TYR  71   5.387 -14.180   9.336
  569    HH   TYR  71           HH       TYR  71   3.969 -15.976  12.092
  570    H    THR  72           H        THR  72   9.352 -15.808  11.572
  571    HA   THR  72           HA       THR  72   9.612 -16.386  14.385
  572    HB   THR  72           HB       THR  72   9.292 -18.298  12.035
  573    HG1  THR  72           1HG      THR  72   7.085 -18.123  12.577
  574   HG21  THR  72          1HG2      THR  72   8.264 -19.777  13.754
  575   HG22  THR  72          2HG2      THR  72   9.958 -19.418  14.141
  576   HG23  THR  72          3HG2      THR  72   8.658 -18.576  15.009
  577    H    TRP  73           H        TRP  73  11.570 -17.071  11.477
  578    HA   TRP  73           HA       TRP  73  13.410 -18.840  12.774
  579    HB2  TRP  73           2HB      TRP  73  13.074 -18.787  10.367
  580    HB3  TRP  73           3HB      TRP  73  13.560 -17.096  10.295
  581    HD1  TRP  73           HD1      TRP  73  14.972 -20.599  10.434
  582    HE1  TRP  73           HE1      TRP  73  17.496 -20.550  10.047
  583    HE3  TRP  73           HE3      TRP  73  15.730 -15.535  10.627
  584    HZ2  TRP  73           HZ2      TRP  73  19.597 -18.582   9.929
  585    HZ3  TRP  73           HZ3      TRP  73  18.007 -14.616  10.383
  586    HH2  TRP  73           HH2      TRP  73  19.945 -16.127  10.048
  587    H    LEU  74           H        LEU  74  13.232 -15.301  12.452
  588    HA   LEU  74           HA       LEU  74  15.964 -14.900  13.367
  589    HB2  LEU  74           2HB      LEU  74  14.820 -13.422  11.747
  590    HB3  LEU  74           3HB      LEU  74  13.626 -12.994  12.979
  591    HG   LEU  74           HG       LEU  74  15.414 -11.997  14.378
  592   HD11  LEU  74          1HD1      LEU  74  17.206 -12.686  12.010
  593   HD12  LEU  74          2HD1      LEU  74  17.669 -11.635  13.369
  594   HD13  LEU  74          3HD1      LEU  74  17.338 -13.354  13.653
  595   HD21  LEU  74          3HD2      LEU  74  15.394 -11.015  11.493
  596   HD22  LEU  74          1HD2      LEU  74  14.169 -10.640  12.726
  597   HD23  LEU  74          2HD2      LEU  74  15.835 -10.050  12.925
  598    H    TYR  75           H        TYR  75  12.690 -14.852  14.833
  599    HA   TYR  75           HA       TYR  75  13.459 -13.606  17.290
  600    HB2  TYR  75           2HB      TYR  75  11.288 -15.641  16.673
  601    HB3  TYR  75           3HB      TYR  75  11.433 -14.767  18.193
  602    HD1  TYR  75           HD1      TYR  75  12.376 -12.272  16.005
  603    HD2  TYR  75           HD2      TYR  75   8.928 -14.647  17.011
  604    HE1  TYR  75           HE1      TYR  75  10.899 -10.487  15.148
  605    HE2  TYR  75           HE2      TYR  75   7.446 -12.858  16.150
  606    HH   TYR  75           HH       TYR  75   8.735  -9.806  14.783
  607    H    ARG  76           H        ARG  76  13.862 -16.900  16.048
  608    HA   ARG  76           HA       ARG  76  14.413 -18.069  18.654
  609    HB2  ARG  76           2HB      ARG  76  14.989 -19.031  15.823
  610    HB3  ARG  76           3HB      ARG  76  15.171 -20.017  17.277
  611    HG2  ARG  76           2HG      ARG  76  12.541 -18.791  16.374
  612    HG3  ARG  76           3HG      ARG  76  13.074 -20.441  16.013
  613    HD2  ARG  76           2HD      ARG  76  11.639 -20.677  17.863
  614    HD3  ARG  76           3HD      ARG  76  13.266 -20.802  18.536
  615    HE   ARG  76           HE       ARG  76  12.903 -18.838  19.728
  616   HH11  ARG  76          1HH1      ARG  76  10.391 -19.172  17.257
  617   HH12  ARG  76          2HH1      ARG  76   9.439 -17.847  17.882
  618   HH21  ARG  76          1HH2      ARG  76  11.654 -17.091  20.495
  619   HH22  ARG  76          2HH2      ARG  76  10.154 -16.672  19.700
  620    H    ILE  77           H        ILE  77  16.321 -16.333  16.251
  621    HA   ILE  77           HA       ILE  77  18.866 -17.345  17.180
  622    HB   ILE  77           HB       ILE  77  18.297 -14.657  15.875
  623   HG12  ILE  77          2HG1      ILE  77  17.353 -16.366  14.415
  624   HG13  ILE  77          3HG1      ILE  77  18.821 -15.697  13.718
  625   HG21  ILE  77          1HG2      ILE  77  20.787 -16.400  16.067
  626   HG22  ILE  77          2HG2      ILE  77  20.647 -14.932  15.076
  627   HG23  ILE  77          3HG2      ILE  77  20.517 -14.827  16.842
  628   HD11  ILE  77          3HD1      ILE  77  18.619 -18.366  15.170
  629   HD12  ILE  77          1HD1      ILE  77  18.727 -18.120  13.412
  630   HD13  ILE  77          2HD1      ILE  77  20.102 -17.686  14.446
  631    H    ALA  78           H        ALA  78  16.742 -14.617  18.105
  632    HA   ALA  78           HA       ALA  78  18.793 -13.388  19.732
  633    HB1  ALA  78           1HB      ALA  78  15.792 -12.902  19.553
  634    HB2  ALA  78           2HB      ALA  78  16.969 -11.838  20.353
  635    HB3  ALA  78           3HB      ALA  78  17.045 -12.082  18.594
  636    H    VAL  79           H        VAL  79  16.015 -15.571  20.440
  637    HA   VAL  79           HA       VAL  79  16.373 -15.137  23.299
  638    HB   VAL  79           HB       VAL  79  14.170 -15.577  22.356
  639   HG11  VAL  79          1HG1      VAL  79  14.842 -17.168  20.567
  640   HG12  VAL  79          2HG1      VAL  79  15.191 -18.390  21.814
  641   HG13  VAL  79          3HG1      VAL  79  13.527 -17.797  21.593
  642   HG21  VAL  79          3HG2      VAL  79  15.078 -17.857  24.167
  643   HG22  VAL  79          1HG2      VAL  79  14.740 -16.201  24.717
  644   HG23  VAL  79          2HG2      VAL  79  13.437 -17.194  24.017
  645    H    ASN  80           H        ASN  80  17.545 -17.503  20.916
  646    HA   ASN  80           HA       ASN  80  18.490 -19.323  22.979
  647    HB2  ASN  80           2HB      ASN  80  19.086 -19.066  20.005
  648    HB3  ASN  80           3HB      ASN  80  19.760 -20.330  21.036
  649   HD21  ASN  80          2HD2      ASN  80  18.401 -21.292  18.987
  650   HD22  ASN  80          1HD2      ASN  80  16.813 -21.866  19.460
  651    H    THR  81           H        THR  81  19.713 -16.409  21.408
  652    HA   THR  81           HA       THR  81  22.467 -16.859  22.243
  653    HB   THR  81           HB       THR  81  21.007 -14.377  21.260
  654    HG1  THR  81           1HG      THR  81  21.186 -15.881  19.666
  655   HG21  THR  81          1HG2      THR  81  23.316 -13.535  20.806
  656   HG22  THR  81          2HG2      THR  81  23.003 -13.713  22.546
  657   HG23  THR  81          3HG2      THR  81  23.975 -14.929  21.693
  658    H    ALA  82           H        ALA  82  19.549 -15.409  23.656
  659    HA   ALA  82           HA       ALA  82  20.976 -13.994  25.737
  660    HB1  ALA  82           1HB      ALA  82  18.720 -13.699  26.680
  661    HB2  ALA  82           2HB      ALA  82  18.727 -13.356  24.938
  662    HB3  ALA  82           3HB      ALA  82  18.077 -14.903  25.539
  663    H    LYS  83           H        LYS  83  19.636 -17.274  25.365
  664    HA   LYS  83           HA       LYS  83  19.953 -17.937  28.181
  665    HB2  LYS  83           2HB      LYS  83  19.539 -19.617  25.681
  666    HB3  LYS  83           3HB      LYS  83  19.543 -20.262  27.339
  667    HG2  LYS  83           2HG      LYS  83  17.644 -18.862  27.954
  668    HG3  LYS  83           3HG      LYS  83  17.666 -18.060  26.378
  669    HD2  LYS  83           2HD      LYS  83  17.187 -20.233  25.270
  670    HD3  LYS  83           3HD      LYS  83  17.140 -21.025  26.867
  671    HE2  LYS  83           2HE      LYS  83  15.290 -19.537  27.543
  672    HE3  LYS  83           3HE      LYS  83  15.340 -18.743  25.961
  673    HZ1  LYS  83           3HZ      LYS  83  13.639 -20.424  26.044
  674    HZ2  LYS  83           1HZ      LYS  83  14.791 -20.856  24.954
  675    HZ3  LYS  83           2HZ      LYS  83  14.733 -21.589  26.423
  676    H    ASN  84           H        ASN  84  21.950 -18.077  25.255
  677    HA   ASN  84           HA       ASN  84  24.037 -19.627  26.598
  678    HB2  ASN  84           2HB      ASN  84  23.599 -19.930  24.228
  679    HB3  ASN  84           3HB      ASN  84  23.948 -18.215  23.909
  680   HD21  ASN  84          2HD2      ASN  84  26.082 -17.545  23.691
  681   HD22  ASN  84          1HD2      ASN  84  27.444 -18.639  23.795
  682    H    TYR  85           H        TYR  85  23.090 -16.276  26.382
  683    HA   TYR  85           HA       TYR  85  25.754 -15.220  26.887
  684    HB2  TYR  85           2HB      TYR  85  23.943 -13.959  25.754
  685    HB3  TYR  85           3HB      TYR  85  23.003 -13.983  27.252
  686    HD1  TYR  85           HD2      TYR  85  25.971 -12.599  25.544
  687    HD2  TYR  85           HD1      TYR  85  23.604 -12.565  29.131
  688    HE1  TYR  85           HE2      TYR  85  27.102 -10.510  26.262
  689    HE2  TYR  85           HE1      TYR  85  24.734 -10.476  29.861
  690    HH   TYR  85           HH       TYR  85  26.251  -8.854  29.321
  691    H    LEU  86           H        LEU  86  22.921 -16.211  28.846
  692    HA   LEU  86           HA       LEU  86  24.171 -15.199  31.289
  693    HB2  LEU  86           2HB      LEU  86  21.671 -16.856  30.779
  694    HB3  LEU  86           3HB      LEU  86  22.209 -16.316  32.376
  695    HG   LEU  86           HG       LEU  86  21.465 -14.486  30.056
  696   HD11  LEU  86          1HD1      LEU  86  20.127 -15.129  32.715
  697   HD12  LEU  86          2HD1      LEU  86  19.582 -13.887  31.567
  698   HD13  LEU  86          3HD1      LEU  86  19.542 -15.601  31.098
  699   HD21  LEU  86          3HD2      LEU  86  22.316 -13.880  32.920
  700   HD22  LEU  86          1HD2      LEU  86  23.202 -13.438  31.436
  701   HD23  LEU  86          2HD2      LEU  86  21.631 -12.690  31.787
  702    H    VAL  87           H        VAL  87  24.353 -18.194  29.476
  703    HA   VAL  87           HA       VAL  87  25.314 -19.635  31.847
  704    HB   VAL  87           HB       VAL  87  24.005 -20.663  29.901
  705   HG11  VAL  87          1HG1      VAL  87  26.771 -20.692  28.611
  706   HG12  VAL  87          2HG1      VAL  87  25.279 -21.423  27.980
  707   HG13  VAL  87          3HG1      VAL  87  25.424 -19.653  28.099
  708   HG21  VAL  87          3HG2      VAL  87  26.644 -21.950  30.701
  709   HG22  VAL  87          1HG2      VAL  87  25.130 -22.002  31.640
  710   HG23  VAL  87          2HG2      VAL  87  25.219 -22.778  30.040
  711    H    ALA  88           H        ALA  88  26.598 -17.659  29.240
  712    HA   ALA  88           HA       ALA  88  29.288 -18.675  29.425
  713    HB1  ALA  88           1HB      ALA  88  28.184 -16.061  28.317
  714    HB2  ALA  88           2HB      ALA  88  29.820 -16.695  28.031
  715    HB3  ALA  88           3HB      ALA  88  28.409 -17.574  27.399
  716    H    GLN  89           H        GLN  89  27.413 -16.220  31.124
  717    HA   GLN  89           HA       GLN  89  29.834 -15.392  32.657
  718    HB2  GLN  89           2HB      GLN  89  27.098 -14.169  32.196
  719    HB3  GLN  89           3HB      GLN  89  28.092 -13.714  33.587
  720    HG2  GLN  89           2HG      GLN  89  28.515 -12.117  31.868
  721    HG3  GLN  89           3HG      GLN  89  29.962 -13.113  32.065
  722   HE21  GLN  89          2HE2      GLN  89  27.033 -12.636  30.011
  723   HE22  GLN  89          1HE2      GLN  89  27.767 -13.264  28.554
  724    H    GLY  90           H        GLY  90  27.157 -17.530  32.763
  725    HA2  GLY  90           2HA      GLY  90  26.956 -17.537  35.691
  726    HA3  GLY  90           3HA      GLY  90  26.054 -18.548  34.542
  727    H    ARG  91           H        ARG  91  29.049 -18.926  33.359
  728    HA   ARG  91           HA       ARG  91  29.852 -21.070  35.268
  729    HB2  ARG  91           2HB      ARG  91  29.818 -21.168  32.231
  730    HB3  ARG  91           3HB      ARG  91  30.532 -22.387  33.293
  731    HG2  ARG  91           2HG      ARG  91  27.584 -21.610  33.246
  732    HG3  ARG  91           3HG      ARG  91  28.283 -23.037  32.474
  733    HD2  ARG  91           2HD      ARG  91  28.245 -22.440  35.463
  734    HD3  ARG  91           3HD      ARG  91  27.294 -23.663  34.618
  735    HE   ARG  91           HE       ARG  91  30.063 -23.849  35.467
  736   HH11  ARG  91          1HH1      ARG  91  27.709 -25.071  33.119
  737   HH12  ARG  91          2HH1      ARG  91  28.628 -26.521  32.792
  738   HH21  ARG  91          1HH2      ARG  91  31.215 -25.762  35.035
  739   HH22  ARG  91          2HH2      ARG  91  30.601 -26.908  33.868
  740    H    ARG  92           H        ARG  92  32.058 -21.634  35.162
  741    HA   ARG  92           HA       ARG  92  33.936 -19.709  33.900
  742    HB2  ARG  92           2HB      ARG  92  33.976 -20.570  36.826
  743    HB3  ARG  92           3HB      ARG  92  35.279 -19.700  35.995
  744    HG2  ARG  92           2HG      ARG  92  33.720 -17.831  35.501
  745    HG3  ARG  92           3HG      ARG  92  32.432 -18.684  36.380
  746    HD2  ARG  92           2HD      ARG  92  35.091 -17.802  37.569
  747    HD3  ARG  92           3HD      ARG  92  33.546 -16.956  37.773
  748    HE   ARG  92           HE       ARG  92  34.418 -19.413  39.102
  749   HH11  ARG  92          1HH1      ARG  92  31.643 -17.407  38.207
  750   HH12  ARG  92          2HH1      ARG  92  30.615 -18.071  39.454
  751   HH21  ARG  92          1HH2      ARG  92  33.063 -20.249  40.723
  752   HH22  ARG  92          2HH2      ARG  92  31.422 -19.672  40.887
  753    H    LEU  93           H        LEU  93  36.095 -20.630  33.660
  754    HA   LEU  93           HA       LEU  93  37.327 -22.273  32.673
  755    HB2  LEU  93           2HB      LEU  93  36.337 -23.913  35.035
  756    HB3  LEU  93           3HB      LEU  93  37.746 -24.283  34.035
  757    HG   LEU  93           HG       LEU  93  37.401 -21.812  35.786
  758   HD11  LEU  93          1HD1      LEU  93  39.194 -24.262  36.044
  759   HD12  LEU  93          2HD1      LEU  93  39.184 -22.856  37.135
  760   HD13  LEU  93          3HD1      LEU  93  37.760 -23.916  37.039
  761   HD21  LEU  93          3HD2      LEU  93  39.761 -22.758  34.104
  762   HD22  LEU  93          1HD2      LEU  93  38.794 -21.290  33.824
  763   HD23  LEU  93          2HD2      LEU  93  39.807 -21.423  35.274
  764    H    GLU  94           H        GLU  94  34.740 -21.907  31.637
  765    HA   GLU  94           HA       GLU  94  34.073 -24.582  30.577
  766    HB2  GLU  94           2HB      GLU  94  32.665 -24.076  32.576
  767    HB3  GLU  94           3HB      GLU  94  32.125 -22.586  31.801
  768    HG2  GLU  94           2HG      GLU  94  30.477 -24.425  31.652
  769    HG3  GLU  94           3HG      GLU  94  30.977 -23.859  30.063
  770    H    LEU  95           H        LEU  95  32.338 -24.189  28.758
  771    HA   LEU  95           HA       LEU  95  32.020 -23.480  26.676
  772    HB2  LEU  95           2HB      LEU  95  31.075 -21.544  27.982
  773    HB3  LEU  95           3HB      LEU  95  32.583 -20.675  27.688
  774    HG   LEU  95           HG       LEU  95  32.167 -20.771  25.239
  775   HD11  LEU  95          1HD1      LEU  95  29.576 -22.155  26.061
  776   HD12  LEU  95          2HD1      LEU  95  29.939 -21.532  24.434
  777   HD13  LEU  95          3HD1      LEU  95  30.883 -22.874  25.086
  778   HD21  LEU  95          3HD2      LEU  95  29.789 -19.776  26.858
  779   HD22  LEU  95          1HD2      LEU  95  31.301 -18.889  26.586
  780   HD23  LEU  95          2HD2      LEU  95  30.241 -19.256  25.211
  781    H    VAL  96           H        VAL  96  34.628 -24.336  27.540
  782    HA   VAL  96           HA       VAL  96  36.276 -23.205  25.333
  783    HB   VAL  96           HB       VAL  96  38.253 -23.771  26.775
  784   HG11  VAL  96          1HG1      VAL  96  36.325 -21.737  27.966
  785   HG12  VAL  96          2HG1      VAL  96  38.088 -21.785  28.199
  786   HG13  VAL  96          3HG1      VAL  96  37.407 -21.460  26.586
  787   HG21  VAL  96          3HG2      VAL  96  36.183 -24.027  28.995
  788   HG22  VAL  96          1HG2      VAL  96  37.141 -25.366  28.309
  789   HG23  VAL  96          2HG2      VAL  96  37.946 -24.048  29.183
  790    HA   PRO  97           HA       PRO  97  36.454 -27.342  23.879
  791    HB2  PRO  97           2HB      PRO  97  39.016 -27.595  22.920
  792    HB3  PRO  97           3HB      PRO  97  37.758 -26.591  22.126
  793    HG2  PRO  97           2HG      PRO  97  39.900 -25.687  24.077
  794    HG3  PRO  97           3HG      PRO  97  39.488 -24.974  22.476
  795    HD2  PRO  97           2HD      PRO  97  38.492 -23.917  24.750
  796    HD3  PRO  97           3HD      PRO  97  37.446 -24.088  23.307
  797    H    ARG  98           H        ARG  98  37.348 -29.457  24.285
  798    HA   ARG  98           HA       ARG  98  38.842 -29.669  26.865
  799    HB2  ARG  98           2HB      ARG  98  36.620 -31.456  25.801
  800    HB3  ARG  98           3HB      ARG  98  37.518 -31.707  27.297
  801    HG2  ARG  98           2HG      ARG  98  35.614 -29.405  26.696
  802    HG3  ARG  98           3HG      ARG  98  35.362 -30.764  27.805
  803    HD2  ARG  98           2HD      ARG  98  37.604 -29.875  28.901
  804    HD3  ARG  98           3HD      ARG  98  37.153 -28.354  28.117
  805    HE   ARG  98           HE       ARG  98  36.008 -29.554  30.467
  806   HH11  ARG  98          1HH1      ARG  98  35.054 -27.536  27.689
  807   HH12  ARG  98          2HH1      ARG  98  33.689 -26.872  28.564
  808   HH21  ARG  98          1HH2      ARG  98  34.282 -28.592  31.527
  809   HH22  ARG  98          2HH2      ARG  98  33.234 -27.481  30.673
  810    H    GLY  99           H        GLY  99  40.007 -31.754  27.125
  811    HA2  GLY  99           2HA      GLY  99  41.375 -33.446  26.387
  812    HA3  GLY  99           3HA      GLY  99  40.578 -33.375  24.803
  813    H    SER 100           H        SER 100  41.696 -30.291  25.747
  814    HA   SER 100           HA       SER 100  44.160 -30.611  24.105
  815    HB2  SER 100           2HB      SER 100  43.766 -28.288  23.362
  816    HB3  SER 100           3HB      SER 100  42.425 -29.369  22.921
  817    HG   SER 100           HG       SER 100  41.724 -27.385  23.854
  818    H    HIS 101           H        HIS 101  43.498 -30.622  27.166
  819    HA   HIS 101           HA       HIS 101  45.457 -28.502  27.933
  820    HB2  HIS 101           2HB      HIS 101  43.259 -29.737  29.619
  821    HB3  HIS 101           3HB      HIS 101  44.325 -28.412  30.086
  822    HD2  HIS 101           HD2      HIS 101  41.123 -29.161  28.196
  823    HE1  HIS 101           HE1      HIS 101  41.769 -24.984  27.723
  824    HE2  HIS 101           HE2      HIS 101  40.116 -26.892  27.363
  825    H    HIS 102           H        HIS 102  46.791 -29.025  29.844
  826    HA   HIS 102           HA       HIS 102  47.312 -31.943  30.140
  827    HB2  HIS 102           2HB      HIS 102  49.390 -29.766  29.736
  828    HB3  HIS 102           3HB      HIS 102  49.725 -31.472  30.047
  829    HD2  HIS 102           HD2      HIS 102  48.896 -33.252  28.064
  830    HE1  HIS 102           HE1      HIS 102  48.845 -30.332  24.969
  831    HE2  HIS 102           HE2      HIS 102  48.795 -32.826  25.475
  832    H    HIS 103           H        HIS 103  46.342 -29.221  31.706
  833    HA   HIS 103           HA       HIS 103  47.170 -30.285  34.310
  834    HB2  HIS 103           2HB      HIS 103  48.970 -28.675  33.559
  835    HB3  HIS 103           3HB      HIS 103  47.740 -27.401  33.546
  836    HD2  HIS 103           HD2      HIS 103  49.003 -26.059  35.509
  837    HE1  HIS 103           HE1      HIS 103  48.382 -28.904  38.609
  838    HE2  HIS 103           HE2      HIS 103  49.146 -26.528  38.079
  839    H    HIS 104           H        HIS 104  46.020 -29.000  36.075
  840    HA   HIS 104           HA       HIS 104  44.011 -28.499  37.019
  841    HB2  HIS 104           2HB      HIS 104  43.681 -26.735  34.572
  842    HB3  HIS 104           3HB      HIS 104  42.810 -26.586  36.101
  843    HD2  HIS 104           HD2      HIS 104  44.691 -26.345  38.347
  844    HE1  HIS 104           HE1      HIS 104  47.236 -23.843  36.039
  845    HE2  HIS 104           HE2      HIS 104  46.649 -24.609  38.395
  846    H    HIS 105           H        HIS 105  41.457 -27.991  36.127
  847    HA   HIS 105           HA       HIS 105  40.745 -30.237  34.323
  848    HB2  HIS 105           2HB      HIS 105  40.636 -31.077  36.651
  849    HB3  HIS 105           3HB      HIS 105  39.560 -29.739  37.081
  850    HD2  HIS 105           HD2      HIS 105  37.114 -30.526  37.213
  851    HE1  HIS 105           HE1      HIS 105  37.090 -33.424  34.094
  852    HE2  HIS 105           HE2      HIS 105  35.683 -32.272  35.883
  853    H    HIS 106           H        HIS 106  38.616 -30.059  33.427
  854    HA   HIS 106           HA       HIS 106  37.328 -27.394  33.610
  855    HB2  HIS 106           2HB      HIS 106  38.304 -28.663  31.025
  856    HB3  HIS 106           3HB      HIS 106  37.349 -27.183  31.158
  857    HD2  HIS 106           HD2      HIS 106  38.603 -24.954  31.960
  858    HE1  HIS 106           HE1      HIS 106  42.561 -26.500  31.851
  859    HE2  HIS 106           HE2      HIS 106  41.160 -24.384  32.056
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  10.602   4.845   4.788
    2    H2   MET   1           H2       MET   1   9.026   4.378   4.652
    3    H3   MET   1           H3       MET   1   9.514   5.824   4.037
    4    HA   MET   1           HA       MET   1   9.198   4.247   2.292
    5    HB2  MET   1           2HB      MET   1  10.921   5.987   2.022
    6    HB3  MET   1           3HB      MET   1  12.117   4.939   2.800
    7    HG2  MET   1           2HG      MET   1  12.320   4.903   0.344
    8    HG3  MET   1           3HG      MET   1  11.957   3.321   1.007
    9    HE1  MET   1           1HE      MET   1  10.654   6.404  -0.989
   10    HE2  MET   1           2HE      MET   1   8.954   5.989  -1.309
   11    HE3  MET   1           3HE      MET   1   9.480   6.378   0.346
   12    H    SER   2           H        SER   2   9.525   2.201   1.408
   13    HA   SER   2           HA       SER   2  11.220   0.298   2.903
   14    HB2  SER   2           2HB      SER   2   8.892   0.229   3.840
   15    HB3  SER   2           3HB      SER   2   8.302  -0.249   2.237
   16    HG   SER   2           HG       SER   2   9.640  -2.082   2.366
   17    H    GLU   3           H        GLU   3  10.702   1.724   0.068
   18    HA   GLU   3           HA       GLU   3  11.012   1.258  -2.107
   19    HB2  GLU   3           2HB      GLU   3  12.628  -1.084  -1.060
   20    HB3  GLU   3           3HB      GLU   3  12.737  -0.363  -2.681
   21    HG2  GLU   3           2HG      GLU   3  13.393   1.805  -1.618
   22    HG3  GLU   3           3HG      GLU   3  13.430   0.988  -0.043
   23    H    GLN   4           H        GLN   4   8.721  -0.261  -0.634
   24    HA   GLN   4           HA       GLN   4   7.170  -1.836  -1.060
   25    HB2  GLN   4           2HB      GLN   4   7.222  -0.485  -3.257
   26    HB3  GLN   4           3HB      GLN   4   8.033  -1.904  -3.949
   27    HG2  GLN   4           2HG      GLN   4   6.114  -3.332  -3.270
   28    HG3  GLN   4           3HG      GLN   4   5.323  -1.927  -2.549
   29   HE21  GLN   4          2HE2      GLN   4   3.730  -3.060  -4.242
   30   HE22  GLN   4          1HE2      GLN   4   3.692  -2.270  -5.805
   31    H    LEU   5           H        LEU   5   9.882  -2.607  -0.297
   32    HA   LEU   5           HA       LEU   5   9.952  -5.415  -1.300
   33    HB2  LEU   5           2HB      LEU   5  12.094  -3.730   0.045
   34    HB3  LEU   5           3HB      LEU   5  12.300  -5.380  -0.567
   35    HG   LEU   5           HG       LEU   5  11.706  -2.888  -2.221
   36   HD11  LEU   5          1HD1      LEU   5  14.180  -4.648  -1.994
   37   HD12  LEU   5          2HD1      LEU   5  13.991  -3.246  -3.078
   38   HD13  LEU   5          3HD1      LEU   5  13.986  -3.012  -1.315
   39   HD21  LEU   5          3HD2      LEU   5  12.050  -4.301  -4.187
   40   HD22  LEU   5          1HD2      LEU   5  12.285  -5.733  -3.161
   41   HD23  LEU   5          2HD2      LEU   5  10.696  -4.929  -3.237
   42    H    THR   6           H        THR   6  10.566  -7.031   0.311
   43    HA   THR   6           HA       THR   6   9.664  -6.432   3.079
   44    HB   THR   6           HB       THR   6   8.546  -8.686   1.365
   45    HG1  THR   6           1HG      THR   6   6.663  -7.440   1.367
   46   HG21  THR   6          1HG2      THR   6   8.416  -9.308   3.671
   47   HG22  THR   6          2HG2      THR   6   7.925  -7.661   4.153
   48   HG23  THR   6          3HG2      THR   6   6.811  -8.703   3.235
   49    H    ASP   7           H        ASP   7   9.978  -8.570   4.437
   50    HA   ASP   7           HA       ASP   7  12.709  -9.152   4.483
   51    HB2  ASP   7           2HB      ASP   7  12.089 -10.881   6.114
   52    HB3  ASP   7           3HB      ASP   7  11.182  -9.386   6.382
   53    H    GLN   8           H        GLN   8  10.277 -10.515   2.402
   54    HA   GLN   8           HA       GLN   8  11.520 -13.047   1.895
   55    HB2  GLN   8           2HB      GLN   8   9.206 -12.564   1.263
   56    HB3  GLN   8           3HB      GLN   8   9.733 -11.243   0.207
   57    HG2  GLN   8           2HG      GLN   8   9.196 -13.248  -1.104
   58    HG3  GLN   8           3HG      GLN   8  10.904 -12.837  -1.258
   59   HE21  GLN   8          2HE2      GLN   8  12.500 -14.180  -0.195
   60   HE22  GLN   8          1HE2      GLN   8  12.098 -15.808   0.309
   61    H    VAL   9           H        VAL   9  11.661  -9.893   0.184
   62    HA   VAL   9           HA       VAL   9  13.751 -10.899  -1.613
   63    HB   VAL   9           HB       VAL   9  12.018  -9.598  -2.604
   64   HG11  VAL   9          1HG1      VAL   9  11.172  -8.436  -0.651
   65   HG12  VAL   9          2HG1      VAL   9  12.659  -7.449  -0.569
   66   HG13  VAL   9          3HG1      VAL   9  11.525  -7.286  -1.944
   67   HG21  VAL   9          3HG2      VAL   9  14.432  -7.760  -2.321
   68   HG22  VAL   9          1HG2      VAL   9  14.355  -9.170  -3.410
   69   HG23  VAL   9          2HG2      VAL   9  13.259  -7.786  -3.650
   70    H    LEU  10           H        LEU  10  13.511  -8.921   1.325
   71    HA   LEU  10           HA       LEU  10  16.113  -7.712   1.051
   72    HB2  LEU  10           2HB      LEU  10  14.023  -8.044   3.166
   73    HB3  LEU  10           3HB      LEU  10  15.680  -7.811   3.735
   74    HG   LEU  10           HG       LEU  10  15.922  -5.768   2.461
   75   HD11  LEU  10          1HD1      LEU  10  14.498  -6.221   0.533
   76   HD12  LEU  10          2HD1      LEU  10  13.050  -6.211   1.576
   77   HD13  LEU  10          3HD1      LEU  10  13.997  -4.723   1.329
   78   HD21  LEU  10          3HD2      LEU  10  13.338  -5.857   4.080
   79   HD22  LEU  10          1HD2      LEU  10  14.974  -5.666   4.746
   80   HD23  LEU  10          2HD2      LEU  10  14.279  -4.390   3.719
   81    H    VAL  11           H        VAL  11  14.984 -10.907   2.183
   82    HA   VAL  11           HA       VAL  11  17.626 -11.501   3.294
   83    HB   VAL  11           HB       VAL  11  15.156 -13.200   2.829
   84   HG11  VAL  11          1HG1      VAL  11  17.077 -14.679   2.565
   85   HG12  VAL  11          2HG1      VAL  11  17.875 -13.947   3.977
   86   HG13  VAL  11          3HG1      VAL  11  16.398 -14.917   4.191
   87   HG21  VAL  11          3HG2      VAL  11  15.155 -11.516   4.714
   88   HG22  VAL  11          1HG2      VAL  11  15.110 -13.202   5.285
   89   HG23  VAL  11          2HG2      VAL  11  16.632 -12.272   5.338
   90    H    GLU  12           H        GLU  12  15.924 -11.889   0.188
   91    HA   GLU  12           HA       GLU  12  17.947 -13.637  -0.941
   92    HB2  GLU  12           2HB      GLU  12  15.832 -11.798  -2.118
   93    HB3  GLU  12           3HB      GLU  12  16.950 -12.746  -3.116
   94    HG2  GLU  12           2HG      GLU  12  16.196 -14.821  -2.022
   95    HG3  GLU  12           3HG      GLU  12  15.036 -13.897  -1.049
   96    H    ARG  13           H        ARG  13  17.528 -10.121  -0.595
   97    HA   ARG  13           HA       ARG  13  19.521  -9.401  -2.524
   98    HB2  ARG  13           2HB      ARG  13  17.631  -7.991  -1.808
   99    HB3  ARG  13           3HB      ARG  13  18.322  -7.852  -0.185
  100    HG2  ARG  13           2HG      ARG  13  20.108  -6.507  -0.954
  101    HG3  ARG  13           3HG      ARG  13  19.907  -7.049  -2.636
  102    HD2  ARG  13           2HD      ARG  13  19.072  -4.781  -2.451
  103    HD3  ARG  13           3HD      ARG  13  17.724  -5.897  -2.764
  104    HE   ARG  13           HE       ARG  13  17.765  -5.669  -0.016
  105   HH11  ARG  13          1HH1      ARG  13  17.556  -3.364  -2.695
  106   HH12  ARG  13          2HH1      ARG  13  16.629  -2.205  -1.763
  107   HH21  ARG  13          1HH2      ARG  13  16.568  -4.095   1.165
  108   HH22  ARG  13          2HH2      ARG  13  16.074  -2.615   0.363
  109    H    VAL  14           H        VAL  14  19.633  -9.908   1.027
  110    HA   VAL  14           HA       VAL  14  22.398  -9.081   1.225
  111    HB   VAL  14           HB       VAL  14  22.302 -10.021   3.474
  112   HG11  VAL  14          1HG1      VAL  14  20.374  -8.658   4.306
  113   HG12  VAL  14          2HG1      VAL  14  21.420  -7.790   3.148
  114   HG13  VAL  14          3HG1      VAL  14  19.843  -8.432   2.633
  115   HG21  VAL  14          3HG2      VAL  14  19.548 -11.020   2.674
  116   HG22  VAL  14          1HG2      VAL  14  20.959 -12.019   3.103
  117   HG23  VAL  14          2HG2      VAL  14  20.203 -10.974   4.331
  118    H    GLN  15           H        GLN  15  20.780 -12.100   0.356
  119    HA   GLN  15           HA       GLN  15  23.186 -13.721   0.678
  120    HB2  GLN  15           2HB      GLN  15  20.510 -14.153  -0.689
  121    HB3  GLN  15           3HB      GLN  15  21.798 -15.370  -0.656
  122    HG2  GLN  15           2HG      GLN  15  21.775 -15.419   1.790
  123    HG3  GLN  15           3HG      GLN  15  20.570 -14.150   1.851
  124   HE21  GLN  15          2HE2      GLN  15  19.912 -16.440   3.161
  125   HE22  GLN  15          1HE2      GLN  15  18.733 -17.361   2.255
  126    H    LYS  16           H        LYS  16  21.877 -11.557  -1.762
  127    HA   LYS  16           HA       LYS  16  23.581 -12.570  -3.887
  128    HB2  LYS  16           2HB      LYS  16  21.297 -10.852  -3.638
  129    HB3  LYS  16           3HB      LYS  16  22.616  -9.891  -4.325
  130    HG2  LYS  16           2HG      LYS  16  21.446 -10.950  -6.147
  131    HG3  LYS  16           3HG      LYS  16  23.028 -11.731  -5.968
  132    HD2  LYS  16           2HD      LYS  16  21.453 -13.475  -6.335
  133    HD3  LYS  16           3HD      LYS  16  21.864 -13.553  -4.615
  134    HE2  LYS  16           2HE      LYS  16  19.793 -12.293  -4.070
  135    HE3  LYS  16           3HE      LYS  16  19.397 -12.198  -5.796
  136    HZ1  LYS  16           3HZ      LYS  16  19.650 -14.683  -4.240
  137    HZ2  LYS  16           1HZ      LYS  16  18.241 -13.999  -4.726
  138    HZ3  LYS  16           2HZ      LYS  16  19.286 -14.593  -5.842
  139    H    GLY  17           H        GLY  17  24.189 -10.792  -1.094
  140    HA2  GLY  17           2HA      GLY  17  26.511 -10.368  -0.611
  141    HA3  GLY  17           3HA      GLY  17  26.755  -9.836  -2.280
  142    H    ASP  18           H        ASP  18  23.789  -8.543  -1.335
  143    HA   ASP  18           HA       ASP  18  25.019  -5.917  -0.852
  144    HB2  ASP  18           2HB      ASP  18  22.208  -6.922  -1.398
  145    HB3  ASP  18           3HB      ASP  18  22.524  -5.261  -0.938
  146    H    GLN  19           H        GLN  19  25.944  -6.362   1.227
  147    HA   GLN  19           HA       GLN  19  24.389  -7.265   3.445
  148    HB2  GLN  19           2HB      GLN  19  26.830  -7.406   3.253
  149    HB3  GLN  19           3HB      GLN  19  26.973  -5.649   3.335
  150    HG2  GLN  19           2HG      GLN  19  25.594  -7.243   5.526
  151    HG3  GLN  19           3HG      GLN  19  27.348  -7.092   5.489
  152   HE21  GLN  19          2HE2      GLN  19  26.049  -6.158   7.699
  153   HE22  GLN  19          1HE2      GLN  19  26.089  -4.406   7.726
  154    H    LYS  20           H        LYS  20  24.628  -4.187   1.829
  155    HA   LYS  20           HA       LYS  20  23.871  -2.429   3.926
  156    HB2  LYS  20           2HB      LYS  20  23.214  -0.945   2.096
  157    HB3  LYS  20           3HB      LYS  20  24.719  -1.780   1.672
  158    HG2  LYS  20           2HG      LYS  20  23.344  -3.456   0.374
  159    HG3  LYS  20           3HG      LYS  20  21.907  -2.471   0.714
  160    HD2  LYS  20           2HD      LYS  20  22.994  -0.538  -0.417
  161    HD3  LYS  20           3HD      LYS  20  24.389  -1.578  -0.797
  162    HE2  LYS  20           2HE      LYS  20  22.876  -3.130  -2.005
  163    HE3  LYS  20           3HE      LYS  20  21.515  -2.042  -1.684
  164    HZ1  LYS  20           3HZ      LYS  20  22.668  -0.337  -2.929
  165    HZ2  LYS  20           1HZ      LYS  20  23.924  -1.357  -3.236
  166    HZ3  LYS  20           2HZ      LYS  20  22.440  -1.670  -3.856
  167    H    ALA  21           H        ALA  21  22.025  -4.849   2.130
  168    HA   ALA  21           HA       ALA  21  19.458  -3.684   2.892
  169    HB1  ALA  21           1HB      ALA  21  19.752  -4.892   0.770
  170    HB2  ALA  21           2HB      ALA  21  20.164  -6.371   1.662
  171    HB3  ALA  21           3HB      ALA  21  18.529  -5.680   1.812
  172    H    PHE  22           H        PHE  22  21.809  -5.832   4.359
  173    HA   PHE  22           HA       PHE  22  19.871  -7.138   6.090
  174    HB2  PHE  22           2HB      PHE  22  22.065  -8.161   5.510
  175    HB3  PHE  22           3HB      PHE  22  22.881  -6.869   6.377
  176    HD1  PHE  22           HD1      PHE  22  20.097  -9.362   6.924
  177    HD2  PHE  22           HD2      PHE  22  23.496  -7.315   8.599
  178    HE1  PHE  22           HE1      PHE  22  19.848 -10.659   9.013
  179    HE2  PHE  22           HE2      PHE  22  23.215  -8.595  10.709
  180    HZ   PHE  22           HZ       PHE  22  21.397 -10.271  10.910
  181    H    ASN  23           H        ASN  23  22.013  -4.274   6.218
  182    HA   ASN  23           HA       ASN  23  21.600  -3.606   8.957
  183    HB2  ASN  23           2HB      ASN  23  23.363  -2.566   7.729
  184    HB3  ASN  23           3HB      ASN  23  22.270  -2.097   6.422
  185   HD21  ASN  23          2HD2      ASN  23  21.218  -0.163   6.477
  186   HD22  ASN  23          1HD2      ASN  23  21.309   0.968   7.808
  187    H    LEU  24           H        LEU  24  19.820  -2.806   5.966
  188    HA   LEU  24           HA       LEU  24  17.844  -1.184   7.329
  189    HB2  LEU  24           2HB      LEU  24  17.882  -2.477   4.574
  190    HB3  LEU  24           3HB      LEU  24  16.681  -1.295   5.125
  191    HG   LEU  24           HG       LEU  24  19.683  -0.768   4.970
  192   HD11  LEU  24          1HD1      LEU  24  17.424   0.059   3.108
  193   HD12  LEU  24          2HD1      LEU  24  19.133   0.562   2.987
  194   HD13  LEU  24          3HD1      LEU  24  18.688  -1.145   2.757
  195   HD21  LEU  24          3HD2      LEU  24  18.540   0.655   6.629
  196   HD22  LEU  24          1HD2      LEU  24  18.988   1.603   5.198
  197   HD23  LEU  24          2HD2      LEU  24  17.302   1.090   5.421
  198    H    LEU  25           H        LEU  25  18.286  -4.598   6.859
  199    HA   LEU  25           HA       LEU  25  15.449  -5.219   7.244
  200    HB2  LEU  25           2HB      LEU  25  16.852  -6.616   5.794
  201    HB3  LEU  25           3HB      LEU  25  17.946  -6.951   7.139
  202    HG   LEU  25           HG       LEU  25  16.094  -8.111   8.341
  203   HD11  LEU  25          1HD1      LEU  25  14.571  -7.667   5.742
  204   HD12  LEU  25          2HD1      LEU  25  14.056  -8.713   7.080
  205   HD13  LEU  25          3HD1      LEU  25  14.154  -6.953   7.321
  206   HD21  LEU  25          3HD2      LEU  25  17.666  -9.366   6.919
  207   HD22  LEU  25          1HD2      LEU  25  16.045 -10.078   6.806
  208   HD23  LEU  25          2HD2      LEU  25  16.649  -9.051   5.490
  209    H    VAL  26           H        VAL  26  18.491  -5.455   9.234
  210    HA   VAL  26           HA       VAL  26  17.068  -6.691  11.390
  211    HB   VAL  26           HB       VAL  26  19.002  -6.303  12.750
  212   HG11  VAL  26          1HG1      VAL  26  20.729  -7.396  11.421
  213   HG12  VAL  26          2HG1      VAL  26  19.130  -8.117  11.103
  214   HG13  VAL  26          3HG1      VAL  26  19.863  -7.011   9.921
  215   HG21  VAL  26          3HG2      VAL  26  20.953  -5.028  11.944
  216   HG22  VAL  26          1HG2      VAL  26  20.011  -4.475  10.539
  217   HG23  VAL  26          2HG2      VAL  26  19.527  -4.006  12.191
  218    H    VAL  27           H        VAL  27  17.392  -3.290  10.433
  219    HA   VAL  27           HA       VAL  27  16.868  -2.299  13.088
  220    HB   VAL  27           HB       VAL  27  17.983  -0.970  11.348
  221   HG11  VAL  27          1HG1      VAL  27  16.677  -1.680   9.399
  222   HG12  VAL  27          2HG1      VAL  27  15.241  -0.841  10.040
  223   HG13  VAL  27          3HG1      VAL  27  16.681   0.086   9.556
  224   HG21  VAL  27          3HG2      VAL  27  15.371   0.285  12.279
  225   HG22  VAL  27          1HG2      VAL  27  16.848   0.128  13.260
  226   HG23  VAL  27          2HG2      VAL  27  16.858   1.138  11.801
  227    H    ARG  28           H        ARG  28  14.796  -3.510  10.485
  228    HA   ARG  28           HA       ARG  28  12.331  -2.439  11.519
  229    HB2  ARG  28           2HB      ARG  28  12.722  -5.064  10.010
  230    HB3  ARG  28           3HB      ARG  28  11.283  -4.031  10.050
  231    HG2  ARG  28           2HG      ARG  28  12.572  -2.257   8.840
  232    HG3  ARG  28           3HG      ARG  28  13.979  -3.350   8.816
  233    HD2  ARG  28           2HD      ARG  28  12.946  -3.550   6.697
  234    HD3  ARG  28           3HD      ARG  28  12.570  -5.034   7.590
  235    HE   ARG  28           HE       ARG  28  10.325  -4.006   8.080
  236   HH11  ARG  28          1HH1      ARG  28  12.178  -2.911   5.260
  237   HH12  ARG  28          2HH1      ARG  28  10.745  -2.375   4.410
  238   HH21  ARG  28          1HH2      ARG  28   8.498  -3.289   6.918
  239   HH22  ARG  28          2HH2      ARG  28   8.709  -2.575   5.333
  240    H    TYR  29           H        TYR  29  14.344  -5.248  12.222
  241    HA   TYR  29           HA       TYR  29  12.307  -6.305  14.097
  242    HB2  TYR  29           2HB      TYR  29  14.822  -7.475  12.891
  243    HB3  TYR  29           3HB      TYR  29  13.852  -8.276  14.132
  244    HD1  TYR  29           HD2      TYR  29  13.855  -7.049  10.630
  245    HD2  TYR  29           HD1      TYR  29  11.730  -9.275  13.624
  246    HE1  TYR  29           HE2      TYR  29  12.283  -7.860   8.894
  247    HE2  TYR  29           HE1      TYR  29  10.177 -10.131  11.906
  248    HH   TYR  29           HH       TYR  29   9.583 -10.090   9.673
  249    H    GLN  30           H        GLN  30  15.020  -4.254  14.196
  250    HA   GLN  30           HA       GLN  30  16.370  -5.176  16.513
  251    HB2  GLN  30           2HB      GLN  30  17.194  -3.532  14.854
  252    HB3  GLN  30           3HB      GLN  30  16.037  -2.339  15.466
  253    HG2  GLN  30           2HG      GLN  30  17.136  -2.376  17.660
  254    HG3  GLN  30           3HG      GLN  30  18.214  -3.680  17.119
  255   HE21  GLN  30          2HE2      GLN  30  19.404  -3.133  14.943
  256   HE22  GLN  30          1HE2      GLN  30  20.095  -1.523  14.860
  257    H    HIS  31           H        HIS  31  13.363  -3.346  16.095
  258    HA   HIS  31           HA       HIS  31  13.167  -2.778  18.973
  259    HB2  HIS  31           2HB      HIS  31  12.307  -1.218  17.254
  260    HB3  HIS  31           3HB      HIS  31  11.186  -2.463  16.694
  261    HD2  HIS  31           HD2      HIS  31   8.872  -2.581  17.850
  262    HE1  HIS  31           HE1      HIS  31   9.639  -0.105  21.225
  263    HE2  HIS  31           HE2      HIS  31   7.848  -1.404  19.958
  264    H    LYS  32           H        LYS  32  12.056  -5.217  16.637
  265    HA   LYS  32           HA       LYS  32   9.984  -6.258  18.382
  266    HB2  LYS  32           2HB      LYS  32  11.314  -7.437  15.907
  267    HB3  LYS  32           3HB      LYS  32   9.834  -8.039  16.678
  268    HG2  LYS  32           2HG      LYS  32   8.714  -5.878  16.231
  269    HG3  LYS  32           3HG      LYS  32  10.188  -5.274  15.441
  270    HD2  LYS  32           2HD      LYS  32  10.050  -7.114  13.781
  271    HD3  LYS  32           3HD      LYS  32   8.568  -7.706  14.563
  272    HE2  LYS  32           2HE      LYS  32   7.471  -5.532  14.109
  273    HE3  LYS  32           3HE      LYS  32   8.951  -4.945  13.337
  274    HZ1  LYS  32           3HZ      LYS  32   7.376  -5.759  11.719
  275    HZ2  LYS  32           1HZ      LYS  32   8.728  -6.694  11.708
  276    HZ3  LYS  32           2HZ      LYS  32   7.350  -7.243  12.417
  277    H    VAL  33           H        VAL  33  13.372  -7.260  17.597
  278    HA   VAL  33           HA       VAL  33  13.035  -9.636  19.255
  279    HB   VAL  33           HB       VAL  33  15.277 -10.194  18.711
  280   HG11  VAL  33          1HG1      VAL  33  13.555 -10.571  16.979
  281   HG12  VAL  33          2HG1      VAL  33  13.910  -8.982  16.272
  282   HG13  VAL  33          3HG1      VAL  33  15.149 -10.260  16.258
  283   HG21  VAL  33          3HG2      VAL  33  16.396  -8.064  18.956
  284   HG22  VAL  33          1HG2      VAL  33  16.740  -8.744  17.358
  285   HG23  VAL  33          2HG2      VAL  33  15.570  -7.411  17.526
  286    H    ALA  34           H        ALA  34  14.213  -6.327  19.705
  287    HA   ALA  34           HA       ALA  34  15.657  -6.919  22.129
  288    HB1  ALA  34           1HB      ALA  34  14.376  -4.320  21.198
  289    HB2  ALA  34           2HB      ALA  34  15.569  -4.498  22.501
  290    HB3  ALA  34           3HB      ALA  34  16.030  -4.864  20.822
  291    H    SER  35           H        SER  35  12.266  -6.581  21.311
  292    HA   SER  35           HA       SER  35  11.375  -5.962  24.002
  293    HB2  SER  35           2HB      SER  35  10.121  -5.375  21.927
  294    HB3  SER  35           3HB      SER  35   9.866  -7.101  21.616
  295    HG   SER  35           HG       SER  35   8.109  -6.121  22.740
  296    H    LEU  36           H        LEU  36  11.630  -8.914  21.968
  297    HA   LEU  36           HA       LEU  36  10.471 -10.536  24.100
  298    HB2  LEU  36           2HB      LEU  36  10.648 -12.377  22.565
  299    HB3  LEU  36           3HB      LEU  36  10.006 -10.959  21.733
  300    HG   LEU  36           HG       LEU  36  12.496 -10.566  21.004
  301   HD11  LEU  36          1HD1      LEU  36  13.716 -12.685  20.615
  302   HD12  LEU  36          2HD1      LEU  36  13.559 -12.379  22.349
  303   HD13  LEU  36          3HD1      LEU  36  12.497 -13.568  21.562
  304   HD21  LEU  36          3HD2      LEU  36  10.626 -11.117  19.499
  305   HD22  LEU  36          1HD2      LEU  36  12.088 -12.004  19.022
  306   HD23  LEU  36          2HD2      LEU  36  10.793 -12.841  19.905
  307    H    VAL  37           H        VAL  37  13.718  -9.600  23.125
  308    HA   VAL  37           HA       VAL  37  14.872 -11.840  24.637
  309    HB   VAL  37           HB       VAL  37  15.779 -10.924  22.441
  310   HG11  VAL  37          1HG1      VAL  37  17.280  -8.989  24.203
  311   HG12  VAL  37          2HG1      VAL  37  17.190  -9.054  22.434
  312   HG13  VAL  37          3HG1      VAL  37  15.781  -8.491  23.373
  313   HG21  VAL  37          3HG2      VAL  37  17.680 -11.195  24.798
  314   HG22  VAL  37          1HG2      VAL  37  16.933 -12.548  23.910
  315   HG23  VAL  37          2HG2      VAL  37  18.063 -11.453  23.083
  316    H    SER  38           H        SER  38  13.902  -8.546  25.258
  317    HA   SER  38           HA       SER  38  15.584  -8.104  27.547
  318    HB2  SER  38           2HB      SER  38  14.348  -6.316  26.343
  319    HB3  SER  38           3HB      SER  38  12.818  -6.999  26.907
  320    HG   SER  38           HG       SER  38  13.577  -5.299  28.240
  321    H    ARG  39           H        ARG  39  13.106 -10.346  26.930
  322    HA   ARG  39           HA       ARG  39  12.289 -10.644  29.746
  323    HB2  ARG  39           2HB      ARG  39  11.517 -12.185  27.248
  324    HB3  ARG  39           3HB      ARG  39  10.814 -12.405  28.856
  325    HG2  ARG  39           2HG      ARG  39  10.023 -10.048  28.836
  326    HG3  ARG  39           3HG      ARG  39  10.730  -9.828  27.220
  327    HD2  ARG  39           2HD      ARG  39   8.360 -10.273  26.990
  328    HD3  ARG  39           3HD      ARG  39   9.279 -11.646  26.348
  329    HE   ARG  39           HE       ARG  39   8.636 -12.081  29.114
  330   HH11  ARG  39          1HH1      ARG  39   7.166 -12.059  25.900
  331   HH12  ARG  39          2HH1      ARG  39   5.931 -13.221  26.331
  332   HH21  ARG  39          1HH2      ARG  39   7.008 -13.583  29.649
  333   HH22  ARG  39          2HH2      ARG  39   5.840 -14.078  28.446
  334    H    TYR  40           H        TYR  40  14.953 -11.579  27.928
  335    HA   TYR  40           HA       TYR  40  15.306 -14.037  29.590
  336    HB2  TYR  40           2HB      TYR  40  16.264 -13.478  26.771
  337    HB3  TYR  40           3HB      TYR  40  16.736 -14.878  27.740
  338    HD1  TYR  40           HD1      TYR  40  14.974 -16.534  28.478
  339    HD2  TYR  40           HD2      TYR  40  14.215 -13.477  25.551
  340    HE1  TYR  40           HE1      TYR  40  12.963 -17.770  27.713
  341    HE2  TYR  40           HE2      TYR  40  12.219 -14.714  24.764
  342    HH   TYR  40           HH       TYR  40  11.184 -17.809  26.253
  343    H    VAL  41           H        VAL  41  16.527 -10.902  28.774
  344    HA   VAL  41           HA       VAL  41  18.718 -11.333  30.698
  345    HB   VAL  41           HB       VAL  41  20.202  -9.870  29.221
  346   HG11  VAL  41          1HG1      VAL  41  20.601 -12.274  29.589
  347   HG12  VAL  41          2HG1      VAL  41  19.549 -12.662  28.211
  348   HG13  VAL  41          3HG1      VAL  41  21.063 -11.767  27.947
  349   HG21  VAL  41          3HG2      VAL  41  18.348 -10.846  27.016
  350   HG22  VAL  41          1HG2      VAL  41  18.431  -9.166  27.609
  351   HG23  VAL  41          2HG2      VAL  41  19.839  -9.906  26.825
  352    HA   PRO  42           HA       PRO  42  17.225  -7.503  32.235
  353    HB2  PRO  42           2HB      PRO  42  19.439  -6.371  33.362
  354    HB3  PRO  42           3HB      PRO  42  18.668  -7.855  34.021
  355    HG2  PRO  42           2HG      PRO  42  21.022  -7.681  32.117
  356    HG3  PRO  42           3HG      PRO  42  20.931  -8.594  33.660
  357    HD2  PRO  42           2HD      PRO  42  20.458  -9.820  31.305
  358    HD3  PRO  42           3HD      PRO  42  19.415 -10.179  32.716
  359    H    SER  43           H        SER  43  17.488  -5.089  32.057
  360    HA   SER  43           HA       SER  43  17.734  -4.421  29.297
  361    HB2  SER  43           2HB      SER  43  17.214  -2.137  30.068
  362    HB3  SER  43           3HB      SER  43  16.138  -3.340  30.811
  363    HG   SER  43           HG       SER  43  16.987  -1.838  32.331
  364    H    GLY  44           H        GLY  44  20.192  -4.697  31.673
  365    HA2  GLY  44           2HA      GLY  44  21.907  -2.625  30.487
  366    HA3  GLY  44           3HA      GLY  44  22.299  -3.727  31.825
  367    H    ASP  45           H        ASP  45  21.202  -6.010  29.982
  368    HA   ASP  45           HA       ASP  45  23.686  -6.298  28.358
  369    HB2  ASP  45           2HB      ASP  45  22.056  -8.375  29.854
  370    HB3  ASP  45           3HB      ASP  45  23.372  -8.746  28.741
  371    H    VAL  46           H        VAL  46  20.373  -5.760  28.121
  372    HA   VAL  46           HA       VAL  46  19.718  -7.655  26.089
  373    HB   VAL  46           HB       VAL  46  18.119  -6.450  27.599
  374   HG11  VAL  46          1HG1      VAL  46  18.862  -4.127  27.300
  375   HG12  VAL  46          2HG1      VAL  46  18.412  -4.206  25.568
  376   HG13  VAL  46          3HG1      VAL  46  17.167  -4.343  26.824
  377   HG21  VAL  46          3HG2      VAL  46  17.336  -7.785  25.788
  378   HG22  VAL  46          1HG2      VAL  46  16.365  -6.303  25.848
  379   HG23  VAL  46          2HG2      VAL  46  17.627  -6.473  24.604
  380    HA   PRO  47           HA       PRO  47  20.576  -4.230  22.931
  381    HB2  PRO  47           2HB      PRO  47  22.562  -2.428  23.262
  382    HB3  PRO  47           3HB      PRO  47  20.944  -2.196  24.008
  383    HG2  PRO  47           2HG      PRO  47  23.439  -3.353  25.299
  384    HG3  PRO  47           3HG      PRO  47  22.390  -2.037  25.923
  385    HD2  PRO  47           2HD      PRO  47  22.103  -4.626  26.704
  386    HD3  PRO  47           3HD      PRO  47  20.687  -3.550  26.512
  387    H    ASP  48           H        ASP  48  23.216  -5.711  24.781
  388    HA   ASP  48           HA       ASP  48  24.985  -5.848  22.455
  389    HB2  ASP  48           2HB      ASP  48  25.799  -5.595  24.806
  390    HB3  ASP  48           3HB      ASP  48  25.145  -7.204  25.174
  391    H    VAL  49           H        VAL  49  22.586  -7.891  24.080
  392    HA   VAL  49           HA       VAL  49  23.376 -10.295  22.637
  393    HB   VAL  49           HB       VAL  49  20.974  -9.571  24.361
  394   HG11  VAL  49          1HG1      VAL  49  20.497 -11.994  24.403
  395   HG12  VAL  49          2HG1      VAL  49  20.318 -11.331  22.769
  396   HG13  VAL  49          3HG1      VAL  49  21.776 -12.262  23.190
  397   HG21  VAL  49          3HG2      VAL  49  23.392 -11.368  24.833
  398   HG22  VAL  49          1HG2      VAL  49  23.181  -9.737  25.517
  399   HG23  VAL  49          2HG2      VAL  49  22.078 -11.053  25.986
  400    H    VAL  50           H        VAL  50  21.216  -7.547  22.073
  401    HA   VAL  50           HA       VAL  50  19.776  -8.803  19.891
  402    HB   VAL  50           HB       VAL  50  20.238  -5.921  20.743
  403   HG11  VAL  50          1HG1      VAL  50  18.522  -6.977  18.458
  404   HG12  VAL  50          2HG1      VAL  50  18.466  -5.321  19.102
  405   HG13  VAL  50          3HG1      VAL  50  19.936  -5.907  18.301
  406   HG21  VAL  50          3HG2      VAL  50  18.739  -7.417  22.122
  407   HG22  VAL  50          1HG2      VAL  50  17.895  -6.034  21.384
  408   HG23  VAL  50          2HG2      VAL  50  17.738  -7.664  20.681
  409    H    GLN  51           H        GLN  51  22.801  -6.898  20.218
  410    HA   GLN  51           HA       GLN  51  23.222  -6.723  17.365
  411    HB2  GLN  51           2HB      GLN  51  24.222  -5.148  18.954
  412    HB3  GLN  51           3HB      GLN  51  25.156  -6.468  19.700
  413    HG2  GLN  51           2HG      GLN  51  26.356  -6.866  17.622
  414    HG3  GLN  51           3HG      GLN  51  25.374  -5.660  16.774
  415   HE21  GLN  51          2HE2      GLN  51  27.868  -5.104  16.408
  416   HE22  GLN  51          1HE2      GLN  51  28.480  -3.876  17.494
  417    H    GLU  52           H        GLU  52  24.360  -8.989  19.948
  418    HA   GLU  52           HA       GLU  52  25.992 -10.482  18.123
  419    HB2  GLU  52           2HB      GLU  52  26.235 -10.498  20.600
  420    HB3  GLU  52           3HB      GLU  52  24.707 -11.406  20.725
  421    HG2  GLU  52           2HG      GLU  52  25.650 -13.275  19.509
  422    HG3  GLU  52           3HG      GLU  52  27.093 -12.340  19.089
  423    H    ALA  53           H        ALA  53  22.534 -10.482  18.850
  424    HA   ALA  53           HA       ALA  53  22.023 -13.063  17.651
  425    HB1  ALA  53           1HB      ALA  53  20.194 -10.691  18.188
  426    HB2  ALA  53           2HB      ALA  53  19.670 -12.327  17.725
  427    HB3  ALA  53           3HB      ALA  53  20.496 -12.064  19.280
  428    H    PHE  54           H        PHE  54  22.392  -9.740  16.396
  429    HA   PHE  54           HA       PHE  54  21.324 -10.546  13.781
  430    HB2  PHE  54           2HB      PHE  54  22.605  -7.995  14.814
  431    HB3  PHE  54           3HB      PHE  54  22.059  -8.227  13.155
  432    HD1  PHE  54           HD1      PHE  54  19.488  -9.805  13.722
  433    HD2  PHE  54           HD2      PHE  54  21.139  -6.248  15.506
  434    HE1  PHE  54           HE1      PHE  54  17.222  -9.056  14.340
  435    HE2  PHE  54           HE2      PHE  54  18.851  -5.484  16.073
  436    HZ   PHE  54           HZ       PHE  54  16.894  -6.896  15.495
  437    H    ILE  55           H        ILE  55  24.492 -10.200  15.363
  438    HA   ILE  55           HA       ILE  55  25.984 -10.502  12.893
  439    HB   ILE  55           HB       ILE  55  26.712 -10.995  15.809
  440   HG12  ILE  55          2HG1      ILE  55  27.374  -8.653  13.963
  441   HG13  ILE  55          3HG1      ILE  55  26.099  -8.630  15.165
  442   HG21  ILE  55          1HG2      ILE  55  29.063 -10.951  15.025
  443   HG22  ILE  55          2HG2      ILE  55  28.175 -12.286  14.279
  444   HG23  ILE  55          3HG2      ILE  55  28.500 -10.809  13.345
  445   HD11  ILE  55          3HD1      ILE  55  27.789  -9.085  16.957
  446   HD12  ILE  55          1HD1      ILE  55  29.074  -8.970  15.730
  447   HD13  ILE  55          2HD1      ILE  55  28.069  -7.559  16.088
  448    H    LYS  56           H        LYS  56  24.623 -12.667  15.371
  449    HA   LYS  56           HA       LYS  56  25.753 -15.098  14.255
  450    HB2  LYS  56           2HB      LYS  56  25.158 -14.756  16.636
  451    HB3  LYS  56           3HB      LYS  56  23.449 -14.596  16.182
  452    HG2  LYS  56           2HG      LYS  56  23.510 -16.919  15.267
  453    HG3  LYS  56           3HG      LYS  56  25.195 -17.070  15.810
  454    HD2  LYS  56           2HD      LYS  56  22.771 -16.500  17.568
  455    HD3  LYS  56           3HD      LYS  56  23.596 -18.062  17.434
  456    HE2  LYS  56           2HE      LYS  56  24.810 -15.472  18.486
  457    HE3  LYS  56           3HE      LYS  56  24.256 -16.830  19.469
  458    HZ1  LYS  56           3HZ      LYS  56  25.902 -18.216  18.406
  459    HZ2  LYS  56           1HZ      LYS  56  26.439 -16.959  17.495
  460    HZ3  LYS  56           2HZ      LYS  56  26.617 -16.918  19.126
  461    H    ALA  57           H        ALA  57  22.721 -13.243  13.839
  462    HA   ALA  57           HA       ALA  57  21.337 -15.350  12.463
  463    HB1  ALA  57           1HB      ALA  57  20.967 -12.329  12.404
  464    HB2  ALA  57           2HB      ALA  57  19.837 -13.510  11.709
  465    HB3  ALA  57           3HB      ALA  57  20.115 -13.493  13.456
  466    H    TYR  58           H        TYR  58  23.423 -12.613  11.303
  467    HA   TYR  58           HA       TYR  58  22.809 -12.976   8.555
  468    HB2  TYR  58           2HB      TYR  58  23.945 -11.007   9.597
  469    HB3  TYR  58           3HB      TYR  58  25.385 -12.006   9.846
  470    HD1  TYR  58           HD1      TYR  58  23.076 -10.722   7.185
  471    HD2  TYR  58           HD2      TYR  58  26.980 -12.253   8.135
  472    HE1  TYR  58           HE1      TYR  58  23.860 -10.096   4.924
  473    HE2  TYR  58           HE2      TYR  58  27.772 -11.656   5.860
  474    HH   TYR  58           HH       TYR  58  25.623 -10.111   3.442
  475    H    ARG  59           H        ARG  59  25.245 -14.492  10.674
  476    HA   ARG  59           HA       ARG  59  26.657 -15.861   8.562
  477    HB2  ARG  59           2HB      ARG  59  26.466 -16.291  11.570
  478    HB3  ARG  59           3HB      ARG  59  27.615 -17.129  10.507
  479    HG2  ARG  59           2HG      ARG  59  28.697 -15.052   9.904
  480    HG3  ARG  59           3HG      ARG  59  27.439 -14.084  10.706
  481    HD2  ARG  59           2HD      ARG  59  28.047 -14.961  12.878
  482    HD3  ARG  59           3HD      ARG  59  29.184 -16.098  12.146
  483    HE   ARG  59           HE       ARG  59  29.546 -13.194  12.565
  484   HH11  ARG  59          1HH1      ARG  59  30.784 -16.128  11.018
  485   HH12  ARG  59          2HH1      ARG  59  32.382 -15.467  10.779
  486   HH21  ARG  59          1HH2      ARG  59  31.647 -12.366  12.251
  487   HH22  ARG  59          2HH2      ARG  59  32.871 -13.350  11.481
  488    H    ALA  60           H        ALA  60  23.774 -16.530  10.443
  489    HA   ALA  60           HA       ALA  60  23.631 -19.306   9.428
  490    HB1  ALA  60           1HB      ALA  60  21.825 -17.740  11.306
  491    HB2  ALA  60           2HB      ALA  60  21.692 -19.473  10.929
  492    HB3  ALA  60           3HB      ALA  60  23.120 -18.854  11.792
  493    H    LEU  61           H        LEU  61  22.685 -16.162   8.436
  494    HA   LEU  61           HA       LEU  61  20.126 -16.838   7.311
  495    HB2  LEU  61           2HB      LEU  61  20.951 -14.540   8.054
  496    HB3  LEU  61           3HB      LEU  61  21.983 -14.530   6.610
  497    HG   LEU  61           HG       LEU  61  19.900 -14.800   5.211
  498   HD11  LEU  61          1HD1      LEU  61  18.404 -15.814   6.888
  499   HD12  LEU  61          2HD1      LEU  61  18.573 -14.375   7.924
  500   HD13  LEU  61          3HD1      LEU  61  17.731 -14.250   6.362
  501   HD21  LEU  61          3HD2      LEU  61  19.154 -12.467   5.572
  502   HD22  LEU  61          1HD2      LEU  61  19.952 -12.454   7.163
  503   HD23  LEU  61          2HD2      LEU  61  20.928 -12.595   5.681
  504    H    ASP  62           H        ASP  62  23.475 -17.048   6.270
  505    HA   ASP  62           HA       ASP  62  22.970 -17.382   3.461
  506    HB2  ASP  62           2HB      ASP  62  25.174 -16.836   4.509
  507    HB3  ASP  62           3HB      ASP  62  25.213 -18.467   5.203
  508    H    SER  63           H        SER  63  22.149 -19.303   6.166
  509    HA   SER  63           HA       SER  63  22.017 -21.775   4.522
  510    HB2  SER  63           2HB      SER  63  21.976 -21.400   7.536
  511    HB3  SER  63           3HB      SER  63  21.889 -22.950   6.677
  512    HG   SER  63           HG       SER  63  24.019 -22.425   7.333
  513    H    PHE  64           H        PHE  64  20.102 -19.200   5.314
  514    HA   PHE  64           HA       PHE  64  17.663 -20.562   6.079
  515    HB2  PHE  64           2HB      PHE  64  18.159 -18.211   6.625
  516    HB3  PHE  64           3HB      PHE  64  18.175 -17.805   4.906
  517    HD1  PHE  64           HD1      PHE  64  15.975 -19.245   7.579
  518    HD2  PHE  64           HD2      PHE  64  16.194 -17.125   3.851
  519    HE1  PHE  64           HE1      PHE  64  13.535 -18.806   7.688
  520    HE2  PHE  64           HE2      PHE  64  13.760 -16.687   3.948
  521    HZ   PHE  64           HZ       PHE  64  12.423 -17.522   5.872
  522    H    ARG  65           H        ARG  65  15.842 -20.997   4.759
  523    HA   ARG  65           HA       ARG  65  16.304 -20.941   1.821
  524    HB2  ARG  65           2HB      ARG  65  15.383 -23.372   3.379
  525    HB3  ARG  65           3HB      ARG  65  15.587 -23.260   1.618
  526    HG2  ARG  65           2HG      ARG  65  18.029 -22.831   1.963
  527    HG3  ARG  65           3HG      ARG  65  17.796 -23.068   3.712
  528    HD2  ARG  65           2HD      ARG  65  17.253 -25.110   1.531
  529    HD3  ARG  65           3HD      ARG  65  18.605 -25.128   2.683
  530    HE   ARG  65           HE       ARG  65  15.916 -25.084   3.876
  531   HH11  ARG  65          1HH1      ARG  65  18.611 -27.114   2.812
  532   HH12  ARG  65          2HH1      ARG  65  18.132 -28.463   3.814
  533   HH21  ARG  65          1HH2      ARG  65  15.308 -26.823   5.119
  534   HH22  ARG  65          2HH2      ARG  65  16.245 -28.306   5.130
  535    H    GLY  66           H        GLY  66  14.298 -19.965   4.253
  536    HA2  GLY  66           2HA      GLY  66  12.155 -19.112   4.116
  537    HA3  GLY  66           3HA      GLY  66  12.053 -19.658   2.436
  538    H    ASP  67           H        ASP  67  12.982 -22.103   4.765
  539    HA   ASP  67           HA       ASP  67  10.632 -23.669   4.265
  540    HB2  ASP  67           2HB      ASP  67  12.767 -23.881   6.423
  541    HB3  ASP  67           3HB      ASP  67  11.546 -25.112   6.085
  542    H    SER  68           H        SER  68  11.173 -21.001   6.308
  543    HA   SER  68           HA       SER  68   8.506 -21.278   7.501
  544    HB2  SER  68           2HB      SER  68   9.352 -20.798   9.777
  545    HB3  SER  68           3HB      SER  68   9.965 -22.347   9.177
  546    HG   SER  68           HG       SER  68  11.338 -19.860   9.233
  547    H    ALA  69           H        ALA  69   7.987 -19.122   8.693
  548    HA   ALA  69           HA       ALA  69   8.601 -16.957   6.922
  549    HB1  ALA  69           1HB      ALA  69   7.370 -15.592   8.550
  550    HB2  ALA  69           2HB      ALA  69   6.511 -17.110   8.222
  551    HB3  ALA  69           3HB      ALA  69   7.438 -16.924   9.732
  552    H    PHE  70           H        PHE  70   9.879 -15.074   7.274
  553    HA   PHE  70           HA       PHE  70  12.416 -15.713   8.436
  554    HB2  PHE  70           2HB      PHE  70  12.216 -14.225   6.515
  555    HB3  PHE  70           3HB      PHE  70  11.239 -13.095   7.462
  556    HD1  PHE  70           HD1      PHE  70  14.610 -14.787   7.622
  557    HD2  PHE  70           HD2      PHE  70  12.281 -11.258   8.424
  558    HE1  PHE  70           HE1      PHE  70  16.644 -13.617   8.413
  559    HE2  PHE  70           HE2      PHE  70  14.312 -10.095   9.204
  560    HZ   PHE  70           HZ       PHE  70  16.508 -11.266   9.189
  561    H    TYR  71           H        TYR  71   9.601 -13.861   9.680
  562    HA   TYR  71           HA       TYR  71  11.122 -12.658  11.791
  563    HB2  TYR  71           2HB      TYR  71   8.993 -12.041  12.746
  564    HB3  TYR  71           3HB      TYR  71   9.015 -11.713  11.017
  565    HD1  TYR  71           HD2      TYR  71   7.689 -13.970  13.655
  566    HD2  TYR  71           HD1      TYR  71   7.449 -12.775   9.527
  567    HE1  TYR  71           HE2      TYR  71   5.576 -15.250  13.408
  568    HE2  TYR  71           HE1      TYR  71   5.340 -14.047   9.276
  569    HH   TYR  71           HH       TYR  71   3.784 -15.366  10.303
  570    H    THR  72           H        THR  72   9.274 -15.740  11.536
  571    HA   THR  72           HA       THR  72   9.527 -16.352  14.344
  572    HB   THR  72           HB       THR  72   9.200 -18.224  11.965
  573    HG1  THR  72           1HG      THR  72   6.996 -18.027  12.484
  574   HG21  THR  72          1HG2      THR  72   9.850 -19.394  14.034
  575   HG22  THR  72          2HG2      THR  72   8.564 -18.550  14.929
  576   HG23  THR  72          3HG2      THR  72   8.147 -19.716  13.653
  577    H    TRP  73           H        TRP  73  11.507 -16.937  11.432
  578    HA   TRP  73           HA       TRP  73  13.341 -18.747  12.703
  579    HB2  TRP  73           2HB      TRP  73  12.981 -18.699  10.302
  580    HB3  TRP  73           3HB      TRP  73  13.493 -17.014  10.224
  581    HD1  TRP  73           HD1      TRP  73  14.842 -20.534  10.353
  582    HE1  TRP  73           HE1      TRP  73  17.371 -20.536   9.994
  583    HE3  TRP  73           HE3      TRP  73  15.687 -15.488  10.597
  584    HZ2  TRP  73           HZ2      TRP  73  19.514 -18.595   9.917
  585    HZ3  TRP  73           HZ3      TRP  73  17.982 -14.607  10.376
  586    HH2  TRP  73           HH2      TRP  73  19.897 -16.141  10.060
  587    H    LEU  74           H        LEU  74  13.145 -15.205  12.417
  588    HA   LEU  74           HA       LEU  74  15.892 -14.823  13.294
  589    HB2  LEU  74           2HB      LEU  74  14.775 -13.326  11.686
  590    HB3  LEU  74           3HB      LEU  74  13.570 -12.898  12.909
  591    HG   LEU  74           HG       LEU  74  15.358 -11.925  14.333
  592   HD11  LEU  74          1HD1      LEU  74  17.613 -11.556  13.350
  593   HD12  LEU  74          2HD1      LEU  74  17.283 -13.280  13.597
  594   HD13  LEU  74          3HD1      LEU  74  17.169 -12.580  11.965
  595   HD21  LEU  74          3HD2      LEU  74  15.805  -9.967  12.892
  596   HD22  LEU  74          1HD2      LEU  74  15.350 -10.915  11.462
  597   HD23  LEU  74          2HD2      LEU  74  14.131 -10.535  12.706
  598    H    TYR  75           H        TYR  75  12.631 -14.739  14.774
  599    HA   TYR  75           HA       TYR  75  13.440 -13.555  17.252
  600    HB2  TYR  75           2HB      TYR  75  11.238 -15.559  16.625
  601    HB3  TYR  75           3HB      TYR  75  11.400 -14.691  18.147
  602    HD1  TYR  75           HD2      TYR  75  12.338 -12.187  15.966
  603    HD2  TYR  75           HD1      TYR  75   8.884 -14.558  16.981
  604    HE1  TYR  75           HE2      TYR  75  10.846 -10.387  15.143
  605    HE2  TYR  75           HE1      TYR  75   7.400 -12.758  16.143
  606    HH   TYR  75           HH       TYR  75   7.282 -10.664  15.215
  607    H    ARG  76           H        ARG  76  13.756 -16.821  15.937
  608    HA   ARG  76           HA       ARG  76  14.305 -18.122  18.460
  609    HB2  ARG  76           2HB      ARG  76  14.812 -18.863  15.554
  610    HB3  ARG  76           3HB      ARG  76  15.181 -19.938  16.920
  611    HG2  ARG  76           2HG      ARG  76  12.878 -19.943  17.648
  612    HG3  ARG  76           3HG      ARG  76  12.440 -18.738  16.418
  613    HD2  ARG  76           2HD      ARG  76  13.067 -20.332  14.630
  614    HD3  ARG  76           3HD      ARG  76  13.525 -21.530  15.853
  615    HE   ARG  76           HE       ARG  76  10.859 -20.770  16.388
  616   HH11  ARG  76          1HH1      ARG  76  12.680 -22.398  13.824
  617   HH12  ARG  76          2HH1      ARG  76  11.318 -23.369  13.321
  618   HH21  ARG  76          1HH2      ARG  76   9.099 -22.048  15.699
  619   HH22  ARG  76          2HH2      ARG  76   9.298 -23.165  14.368
  620    H    ILE  77           H        ILE  77  16.249 -16.265  16.170
  621    HA   ILE  77           HA       ILE  77  18.769 -17.347  17.106
  622    HB   ILE  77           HB       ILE  77  18.296 -14.649  15.790
  623   HG12  ILE  77          2HG1      ILE  77  17.261 -16.264  14.330
  624   HG13  ILE  77          3HG1      ILE  77  18.793 -15.745  13.632
  625   HG21  ILE  77          1HG2      ILE  77  20.634 -15.036  14.982
  626   HG22  ILE  77          2HG2      ILE  77  20.528 -14.933  16.747
  627   HG23  ILE  77          3HG2      ILE  77  20.704 -16.515  15.960
  628   HD11  ILE  77          3HD1      ILE  77  19.873 -17.839  14.445
  629   HD12  ILE  77          1HD1      ILE  77  18.307 -18.361  15.121
  630   HD13  ILE  77          2HD1      ILE  77  18.501 -18.154  13.369
  631    H    ALA  78           H        ALA  78  16.699 -14.577  18.029
  632    HA   ALA  78           HA       ALA  78  18.764 -13.405  19.683
  633    HB1  ALA  78           1HB      ALA  78  15.771 -12.884  19.548
  634    HB2  ALA  78           2HB      ALA  78  16.977 -11.850  20.346
  635    HB3  ALA  78           3HB      ALA  78  17.020 -12.069  18.581
  636    H    VAL  79           H        VAL  79  16.003 -15.622  20.323
  637    HA   VAL  79           HA       VAL  79  16.303 -15.295  23.194
  638    HB   VAL  79           HB       VAL  79  14.140 -15.785  22.226
  639   HG11  VAL  79          1HG1      VAL  79  13.587 -17.953  21.282
  640   HG12  VAL  79          2HG1      VAL  79  14.886 -17.209  20.324
  641   HG13  VAL  79          3HG1      VAL  79  15.267 -18.513  21.474
  642   HG21  VAL  79          3HG2      VAL  79  15.128 -18.171  23.845
  643   HG22  VAL  79          1HG2      VAL  79  14.745 -16.580  24.539
  644   HG23  VAL  79          2HG2      VAL  79  13.466 -17.547  23.761
  645    H    ASN  80           H        ASN  80  17.590 -17.542  20.744
  646    HA   ASN  80           HA       ASN  80  18.585 -19.373  22.783
  647    HB2  ASN  80           2HB      ASN  80  19.118 -19.079  19.800
  648    HB3  ASN  80           3HB      ASN  80  19.838 -20.342  20.805
  649   HD21  ASN  80          2HD2      ASN  80  18.405 -21.222  18.718
  650   HD22  ASN  80          1HD2      ASN  80  16.855 -21.859  19.241
  651    H    THR  81           H        THR  81  19.741 -16.416  21.250
  652    HA   THR  81           HA       THR  81  22.521 -16.851  22.014
  653    HB   THR  81           HB       THR  81  21.027 -14.332  21.179
  654    HG1  THR  81           1HG      THR  81  21.062 -15.783  19.527
  655   HG21  THR  81          1HG2      THR  81  23.152 -13.809  22.375
  656   HG22  THR  81          2HG2      THR  81  24.014 -14.954  21.323
  657   HG23  THR  81          3HG2      THR  81  23.292 -13.479  20.639
  658    H    ALA  82           H        ALA  82  19.611 -15.451  23.497
  659    HA   ALA  82           HA       ALA  82  21.049 -14.069  25.592
  660    HB1  ALA  82           1HB      ALA  82  18.143 -14.955  25.371
  661    HB2  ALA  82           2HB      ALA  82  18.793 -13.799  26.556
  662    HB3  ALA  82           3HB      ALA  82  18.807 -13.404  24.819
  663    H    LYS  83           H        LYS  83  19.654 -17.325  25.197
  664    HA   LYS  83           HA       LYS  83  19.952 -18.029  28.000
  665    HB2  LYS  83           2HB      LYS  83  19.546 -19.678  25.479
  666    HB3  LYS  83           3HB      LYS  83  19.555 -20.350  27.122
  667    HG2  LYS  83           2HG      LYS  83  17.657 -18.956  27.770
  668    HG3  LYS  83           3HG      LYS  83  17.680 -18.123  26.208
  669    HD2  LYS  83           2HD      LYS  83  17.204 -20.265  25.053
  670    HD3  LYS  83           3HD      LYS  83  17.139 -21.091  26.630
  671    HE2  LYS  83           2HE      LYS  83  15.297 -19.589  27.331
  672    HE3  LYS  83           3HE      LYS  83  15.369 -18.767  25.765
  673    HZ1  LYS  83           3HZ      LYS  83  13.641 -20.423  25.809
  674    HZ2  LYS  83           1HZ      LYS  83  14.786 -20.857  24.717
  675    HZ3  LYS  83           2HZ      LYS  83  14.711 -21.611  26.177
  676    H    ASN  84           H        ASN  84  21.988 -18.173  25.093
  677    HA   ASN  84           HA       ASN  84  24.038 -19.793  26.366
  678    HB2  ASN  84           2HB      ASN  84  23.578 -19.707  23.896
  679    HB3  ASN  84           3HB      ASN  84  24.157 -18.034  23.885
  680   HD21  ASN  84          2HD2      ASN  84  25.794 -18.698  22.354
  681   HD22  ASN  84          1HD2      ASN  84  27.227 -19.540  22.912
  682    H    TYR  85           H        TYR  85  23.191 -16.377  26.175
  683    HA   TYR  85           HA       TYR  85  25.823 -15.360  26.755
  684    HB2  TYR  85           2HB      TYR  85  24.014 -14.090  25.626
  685    HB3  TYR  85           3HB      TYR  85  23.080 -14.106  27.122
  686    HD1  TYR  85           HD2      TYR  85  26.057 -12.761  25.406
  687    HD2  TYR  85           HD1      TYR  85  23.663 -12.646  28.971
  688    HE1  TYR  85           HE2      TYR  85  27.196 -10.664  26.093
  689    HE2  TYR  85           HE1      TYR  85  24.802 -10.557  29.677
  690    HH   TYR  85           HH       TYR  85  26.331  -8.944  29.117
  691    H    LEU  86           H        LEU  86  22.970 -16.231  28.780
  692    HA   LEU  86           HA       LEU  86  24.231 -15.112  31.156
  693    HB2  LEU  86           2HB      LEU  86  21.753 -16.817  30.734
  694    HB3  LEU  86           3HB      LEU  86  22.294 -16.235  32.317
  695    HG   LEU  86           HG       LEU  86  21.501 -14.484  29.957
  696   HD11  LEU  86          1HD1      LEU  86  19.664 -13.835  31.510
  697   HD12  LEU  86          2HD1      LEU  86  19.610 -15.568  31.118
  698   HD13  LEU  86          3HD1      LEU  86  20.251 -15.026  32.688
  699   HD21  LEU  86          3HD2      LEU  86  22.468 -13.769  32.760
  700   HD22  LEU  86          1HD2      LEU  86  23.269 -13.352  31.229
  701   HD23  LEU  86          2HD2      LEU  86  21.702 -12.629  31.631
  702    H    VAL  87           H        VAL  87  24.139 -18.369  29.665
  703    HA   VAL  87           HA       VAL  87  25.206 -19.578  32.085
  704    HB   VAL  87           HB       VAL  87  25.705 -21.521  30.665
  705   HG11  VAL  87          1HG1      VAL  87  23.371 -22.053  30.090
  706   HG12  VAL  87          2HG1      VAL  87  23.478 -21.244  31.670
  707   HG13  VAL  87          3HG1      VAL  87  22.934 -20.336  30.240
  708   HG21  VAL  87          3HG2      VAL  87  26.287 -20.373  28.563
  709   HG22  VAL  87          1HG2      VAL  87  24.984 -21.543  28.309
  710   HG23  VAL  87          2HG2      VAL  87  24.602 -19.807  28.410
  711    H    ALA  88           H        ALA  88  26.546 -17.724  29.437
  712    HA   ALA  88           HA       ALA  88  29.275 -18.580  29.853
  713    HB1  ALA  88           1HB      ALA  88  28.176 -16.007  28.651
  714    HB2  ALA  88           2HB      ALA  88  29.827 -16.626  28.472
  715    HB3  ALA  88           3HB      ALA  88  28.465 -17.522  27.754
  716    H    GLN  89           H        GLN  89  27.110 -16.560  31.680
  717    HA   GLN  89           HA       GLN  89  29.417 -15.281  33.055
  718    HB2  GLN  89           2HB      GLN  89  26.518 -14.798  33.725
  719    HB3  GLN  89           3HB      GLN  89  27.903 -13.731  33.952
  720    HG2  GLN  89           2HG      GLN  89  26.564 -14.449  31.321
  721    HG3  GLN  89           3HG      GLN  89  26.422 -12.919  32.183
  722   HE21  GLN  89          2HE2      GLN  89  27.161 -12.897  29.551
  723   HE22  GLN  89          1HE2      GLN  89  28.844 -12.427  29.409
  724    H    GLY  90           H        GLY  90  26.830 -17.662  33.497
  725    HA2  GLY  90           2HA      GLY  90  27.186 -17.737  36.402
  726    HA3  GLY  90           3HA      GLY  90  26.025 -18.660  35.425
  727    H    ARG  91           H        ARG  91  28.713 -19.305  33.737
  728    HA   ARG  91           HA       ARG  91  29.322 -21.684  35.421
  729    HB2  ARG  91           2HB      ARG  91  29.561 -21.287  32.423
  730    HB3  ARG  91           3HB      ARG  91  30.086 -22.723  33.318
  731    HG2  ARG  91           2HG      ARG  91  27.719 -22.908  34.248
  732    HG3  ARG  91           3HG      ARG  91  27.246 -21.645  33.097
  733    HD2  ARG  91           2HD      ARG  91  26.788 -23.864  32.157
  734    HD3  ARG  91           3HD      ARG  91  28.084 -23.078  31.232
  735    HE   ARG  91           HE       ARG  91  29.178 -24.660  33.364
  736   HH11  ARG  91          1HH1      ARG  91  27.617 -25.026  30.214
  737   HH12  ARG  91          2HH1      ARG  91  28.437 -26.528  29.856
  738   HH21  ARG  91          1HH2      ARG  91  30.259 -26.567  32.865
  739   HH22  ARG  91          2HH2      ARG  91  29.915 -27.425  31.373
  740    H    ARG  92           H        ARG  92  30.627 -18.783  35.245
  741    HA   ARG  92           HA       ARG  92  33.361 -19.428  34.506
  742    HB2  ARG  92           2HB      ARG  92  32.174 -17.066  36.022
  743    HB3  ARG  92           3HB      ARG  92  33.860 -17.197  35.474
  744    HG2  ARG  92           2HG      ARG  92  33.061 -17.436  33.126
  745    HG3  ARG  92           3HG      ARG  92  31.386 -17.230  33.688
  746    HD2  ARG  92           2HD      ARG  92  31.951 -14.995  34.564
  747    HD3  ARG  92           3HD      ARG  92  33.635 -15.213  34.043
  748    HE   ARG  92           HE       ARG  92  31.598 -15.503  31.942
  749   HH11  ARG  92          1HH1      ARG  92  33.856 -13.330  33.573
  750   HH12  ARG  92          2HH1      ARG  92  33.948 -12.222  32.222
  751   HH21  ARG  92          1HH2      ARG  92  31.738 -14.054  30.201
  752   HH22  ARG  92          2HH2      ARG  92  32.737 -12.624  30.323
  753    H    LEU  93           H        LEU  93  34.938 -20.231  35.705
  754    HA   LEU  93           HA       LEU  93  35.949 -21.363  37.380
  755    HB2  LEU  93           2HB      LEU  93  34.893 -18.965  38.904
  756    HB3  LEU  93           3HB      LEU  93  35.962 -20.172  39.624
  757    HG   LEU  93           HG       LEU  93  37.673 -19.722  37.893
  758   HD11  LEU  93          1HD1      LEU  93  35.798 -17.453  37.107
  759   HD12  LEU  93          2HD1      LEU  93  37.511 -17.563  36.641
  760   HD13  LEU  93          3HD1      LEU  93  36.373 -18.779  36.054
  761   HD21  LEU  93          3HD2      LEU  93  37.693 -18.635  40.116
  762   HD22  LEU  93          1HD2      LEU  93  38.362 -17.564  38.870
  763   HD23  LEU  93          2HD2      LEU  93  36.710 -17.299  39.472
  764    H    GLU  94           H        GLU  94  33.235 -22.256  36.748
  765    HA   GLU  94           HA       GLU  94  31.823 -22.847  39.159
  766    HB2  GLU  94           2HB      GLU  94  30.495 -24.334  37.772
  767    HB3  GLU  94           3HB      GLU  94  30.803 -22.818  36.906
  768    HG2  GLU  94           2HG      GLU  94  32.605 -23.907  35.612
  769    HG3  GLU  94           3HG      GLU  94  32.393 -25.397  36.537
  770    H    LEU  95           H        LEU  95  34.833 -24.011  38.268
  771    HA   LEU  95           HA       LEU  95  34.443 -26.800  39.025
  772    HB2  LEU  95           2HB      LEU  95  36.951 -25.123  38.600
  773    HB3  LEU  95           3HB      LEU  95  36.942 -26.848  38.932
  774    HG   LEU  95           HG       LEU  95  37.280 -26.584  36.613
  775   HD11  LEU  95          1HD1      LEU  95  35.410 -27.809  35.642
  776   HD12  LEU  95          2HD1      LEU  95  35.733 -28.412  37.278
  777   HD13  LEU  95          3HD1      LEU  95  34.349 -27.329  36.982
  778   HD21  LEU  95          3HD2      LEU  95  35.879 -25.385  35.089
  779   HD22  LEU  95          1HD2      LEU  95  34.706 -24.988  36.351
  780   HD23  LEU  95          2HD2      LEU  95  36.338 -24.272  36.397
  781    H    VAL  96           H        VAL  96  34.664 -23.885  40.792
  782    HA   VAL  96           HA       VAL  96  35.229 -25.400  43.265
  783    HB   VAL  96           HB       VAL  96  36.655 -23.488  44.034
  784   HG11  VAL  96          1HG1      VAL  96  37.709 -24.947  41.578
  785   HG12  VAL  96          2HG1      VAL  96  38.680 -24.219  42.871
  786   HG13  VAL  96          3HG1      VAL  96  37.641 -25.613  43.231
  787   HG21  VAL  96          3HG2      VAL  96  36.685 -22.731  41.082
  788   HG22  VAL  96          1HG2      VAL  96  35.919 -21.788  42.381
  789   HG23  VAL  96          2HG2      VAL  96  37.681 -22.015  42.366
  790    HA   PRO  97           HA       PRO  97  31.881 -22.874  44.717
  791    HB2  PRO  97           2HB      PRO  97  32.214 -22.978  47.413
  792    HB3  PRO  97           3HB      PRO  97  31.835 -24.455  46.463
  793    HG2  PRO  97           2HG      PRO  97  34.568 -23.487  47.372
  794    HG3  PRO  97           3HG      PRO  97  33.848 -25.115  47.593
  795    HD2  PRO  97           2HD      PRO  97  35.532 -24.551  45.521
  796    HD3  PRO  97           3HD      PRO  97  34.131 -25.644  45.304
  797    H    ARG  98           H        ARG  98  35.221 -22.069  45.338
  798    HA   ARG  98           HA       ARG  98  34.628 -19.221  45.215
  799    HB2  ARG  98           2HB      ARG  98  34.382 -19.800  47.661
  800    HB3  ARG  98           3HB      ARG  98  36.034 -20.431  47.646
  801    HG2  ARG  98           2HG      ARG  98  35.974 -18.176  48.583
  802    HG3  ARG  98           3HG      ARG  98  36.882 -18.162  47.067
  803    HD2  ARG  98           2HD      ARG  98  34.900 -17.282  45.875
  804    HD3  ARG  98           3HD      ARG  98  33.951 -17.365  47.366
  805    HE   ARG  98           HE       ARG  98  35.999 -15.387  46.640
  806   HH11  ARG  98          1HH1      ARG  98  34.038 -16.755  49.251
  807   HH12  ARG  98          2HH1      ARG  98  34.216 -15.348  50.273
  808   HH21  ARG  98          1HH2      ARG  98  36.207 -13.576  47.991
  809   HH22  ARG  98          2HH2      ARG  98  35.433 -13.553  49.557
  810    H    GLY  99           H        GLY  99  36.546 -18.022  44.624
  811    HA2  GLY  99           2HA      GLY  99  38.404 -19.494  43.051
  812    HA3  GLY  99           3HA      GLY  99  38.536 -17.781  43.490
  813    H    SER 100           H        SER 100  40.595 -19.971  43.348
  814    HA   SER 100           HA       SER 100  41.911 -19.402  45.899
  815    HB2  SER 100           2HB      SER 100  42.282 -21.775  46.438
  816    HB3  SER 100           3HB      SER 100  40.551 -21.392  46.440
  817    HG   SER 100           HG       SER 100  41.028 -23.322  45.291
  818    H    HIS 101           H        HIS 101  44.146 -20.407  45.909
  819    HA   HIS 101           HA       HIS 101  45.242 -20.787  43.176
  820    HB2  HIS 101           2HB      HIS 101  46.342 -18.887  45.276
  821    HB3  HIS 101           3HB      HIS 101  47.096 -19.258  43.720
  822    HD2  HIS 101           HD2      HIS 101  45.809 -18.368  41.468
  823    HE1  HIS 101           HE1      HIS 101  43.367 -15.518  43.468
  824    HE2  HIS 101           HE2      HIS 101  44.230 -16.294  41.200
  825    H    HIS 102           H        HIS 102  44.680 -22.383  45.796
  826    HA   HIS 102           HA       HIS 102  45.617 -24.020  47.036
  827    HB2  HIS 102           2HB      HIS 102  46.047 -24.840  44.722
  828    HB3  HIS 102           3HB      HIS 102  47.685 -24.184  44.835
  829    HD2  HIS 102           HD2      HIS 102  49.055 -26.415  44.870
  830    HE1  HIS 102           HE1      HIS 102  47.213 -28.273  48.224
  831    HE2  HIS 102           HE2      HIS 102  49.121 -28.429  46.545
  832    H    HIS 103           H        HIS 103  47.836 -24.866  48.027
  833    HA   HIS 103           HA       HIS 103  49.618 -22.607  48.701
  834    HB2  HIS 103           2HB      HIS 103  47.703 -22.495  50.281
  835    HB3  HIS 103           3HB      HIS 103  48.018 -24.160  50.770
  836    HD2  HIS 103           HD2      HIS 103  50.087 -20.831  50.581
  837    HE1  HIS 103           HE1      HIS 103  51.188 -22.851  54.162
  838    HE2  HIS 103           HE2      HIS 103  51.554 -20.759  52.754
  839    H    HIS 104           H        HIS 104  51.523 -23.330  49.948
  840    HA   HIS 104           HA       HIS 104  52.093 -26.227  49.821
  841    HB2  HIS 104           2HB      HIS 104  54.158 -25.849  48.568
  842    HB3  HIS 104           3HB      HIS 104  52.748 -25.347  47.628
  843    HD2  HIS 104           HD2      HIS 104  55.965 -24.012  49.161
  844    HE1  HIS 104           HE1      HIS 104  54.056 -20.654  47.379
  845    HE2  HIS 104           HE2      HIS 104  56.198 -21.495  48.474
  846    H    HIS 105           H        HIS 105  54.219 -26.727  50.863
  847    HA   HIS 105           HA       HIS 105  54.889 -24.740  52.979
  848    HB2  HIS 105           2HB      HIS 105  54.524 -27.737  53.315
  849    HB3  HIS 105           3HB      HIS 105  55.034 -26.603  54.575
  850    HD2  HIS 105           HD2      HIS 105  53.182 -24.966  55.629
  851    HE1  HIS 105           HE1      HIS 105  49.788 -26.769  53.808
  852    HE2  HIS 105           HE2      HIS 105  50.564 -25.112  55.578
  853    H    HIS 106           H        HIS 106  56.091 -26.213  50.316
  854    HA   HIS 106           HA       HIS 106  58.853 -26.024  51.325
  855    HB2  HIS 106           2HB      HIS 106  58.211 -28.400  51.641
  856    HB3  HIS 106           3HB      HIS 106  57.744 -28.497  49.938
  857    HD2  HIS 106           HD2      HIS 106  60.953 -27.677  52.025
  858    HE1  HIS 106           HE1      HIS 106  62.190 -29.584  48.431
  859    HE2  HIS 106           HE2      HIS 106  62.979 -28.611  50.650
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   0.715   3.589 -10.103
    2    H2   MET   1           H2       MET   1   2.293   3.094 -10.136
    3    H3   MET   1           H3       MET   1   1.899   4.532  -9.458
    4    HA   MET   1           HA       MET   1   0.670   3.479  -7.730
    5    HB2  MET   1           2HB      MET   1   0.643   1.090  -7.464
    6    HB3  MET   1           3HB      MET   1  -0.020   1.490  -9.056
    7    HG2  MET   1           2HG      MET   1   2.834   0.565  -8.504
    8    HG3  MET   1           3HG      MET   1   1.527  -0.484  -9.028
    9    HE1  MET   1           1HE      MET   1   0.849   0.566 -12.691
   10    HE2  MET   1           2HE      MET   1   0.479  -0.575 -11.370
   11    HE3  MET   1           3HE      MET   1  -0.021   1.124 -11.246
   12    H    SER   2           H        SER   2   1.716   2.393  -5.796
   13    HA   SER   2           HA       SER   2   4.605   3.097  -5.787
   14    HB2  SER   2           2HB      SER   2   2.611   2.862  -3.504
   15    HB3  SER   2           3HB      SER   2   4.317   3.333  -3.358
   16    HG   SER   2           HG       SER   2   2.911   5.137  -3.475
   17    H    GLU   3           H        GLU   3   6.021   1.785  -4.401
   18    HA   GLU   3           HA       GLU   3   5.144  -0.986  -3.886
   19    HB2  GLU   3           2HB      GLU   3   5.918  -0.921  -6.261
   20    HB3  GLU   3           3HB      GLU   3   7.482  -0.292  -5.709
   21    HG2  GLU   3           2HG      GLU   3   7.885  -2.362  -4.432
   22    HG3  GLU   3           3HG      GLU   3   6.277  -2.963  -4.851
   23    H    GLN   4           H        GLN   4   6.519  -2.106  -2.442
   24    HA   GLN   4           HA       GLN   4   8.814  -0.664  -1.298
   25    HB2  GLN   4           2HB      GLN   4   6.828   0.185  -0.127
   26    HB3  GLN   4           3HB      GLN   4   6.406  -1.469   0.378
   27    HG2  GLN   4           2HG      GLN   4   8.463  -1.620   1.702
   28    HG3  GLN   4           3HG      GLN   4   9.011  -0.056   1.084
   29   HE21  GLN   4          2HE2      GLN   4   9.098  -0.025   3.664
   30   HE22  GLN   4          1HE2      GLN   4   7.696   0.714   4.412
   31    H    LEU   5           H        LEU   5   9.911  -2.039   0.368
   32    HA   LEU   5           HA       LEU   5   9.967  -4.831  -0.661
   33    HB2  LEU   5           2HB      LEU   5  12.124  -3.198   0.687
   34    HB3  LEU   5           3HB      LEU   5  12.316  -4.762  -0.144
   35    HG   LEU   5           HG       LEU   5  11.523  -2.111  -1.428
   36   HD11  LEU   5          1HD1      LEU   5  13.744  -2.284  -2.496
   37   HD12  LEU   5          2HD1      LEU   5  13.900  -2.280  -0.727
   38   HD13  LEU   5          3HD1      LEU   5  14.049  -3.810  -1.629
   39   HD21  LEU   5          3HD2      LEU   5  12.102  -4.812  -2.716
   40   HD22  LEU   5          1HD2      LEU   5  10.492  -4.056  -2.595
   41   HD23  LEU   5          2HD2      LEU   5  11.760  -3.292  -3.568
   42    H    THR   6           H        THR   6  10.492  -6.522   0.789
   43    HA   THR   6           HA       THR   6   9.809  -6.064   3.640
   44    HB   THR   6           HB       THR   6   8.495  -8.123   1.829
   45    HG1  THR   6           1HG      THR   6   6.673  -6.807   2.083
   46   HG21  THR   6          1HG2      THR   6   8.474  -8.964   4.070
   47   HG22  THR   6          2HG2      THR   6   8.107  -7.356   4.753
   48   HG23  THR   6          3HG2      THR   6   6.882  -8.247   3.816
   49    H    ASP   7           H        ASP   7  10.092  -8.337   4.809
   50    HA   ASP   7           HA       ASP   7  12.810  -8.998   4.687
   51    HB2  ASP   7           2HB      ASP   7  12.219 -10.833   6.190
   52    HB3  ASP   7           3HB      ASP   7  11.329  -9.366   6.620
   53    H    GLN   8           H        GLN   8  10.246 -10.123   2.623
   54    HA   GLN   8           HA       GLN   8  11.379 -12.642   1.876
   55    HB2  GLN   8           2HB      GLN   8   9.055 -12.045   1.375
   56    HB3  GLN   8           3HB      GLN   8   9.594 -10.669   0.392
   57    HG2  GLN   8           2HG      GLN   8   8.928 -12.548  -1.037
   58    HG3  GLN   8           3HG      GLN   8  10.651 -12.228  -1.216
   59   HE21  GLN   8          2HE2      GLN   8  12.191 -13.701  -0.271
   60   HE22  GLN   8          1HE2      GLN   8  11.727 -15.336   0.164
   61    H    VAL   9           H        VAL   9  11.587  -9.378   0.376
   62    HA   VAL   9           HA       VAL   9  13.565 -10.349  -1.560
   63    HB   VAL   9           HB       VAL   9  11.868  -8.888  -2.391
   64   HG11  VAL   9          1HG1      VAL   9  11.537  -6.589  -1.550
   65   HG12  VAL   9          2HG1      VAL   9  11.152  -7.816  -0.331
   66   HG13  VAL   9          3HG1      VAL   9  12.692  -6.924  -0.231
   67   HG21  VAL   9          3HG2      VAL   9  14.188  -8.502  -3.267
   68   HG22  VAL   9          1HG2      VAL   9  13.152  -7.060  -3.346
   69   HG23  VAL   9          2HG2      VAL   9  14.378  -7.190  -2.077
   70    H    LEU  10           H        LEU  10  13.521  -8.603   1.512
   71    HA   LEU  10           HA       LEU  10  16.173  -7.497   1.226
   72    HB2  LEU  10           2HB      LEU  10  14.129  -7.811   3.396
   73    HB3  LEU  10           3HB      LEU  10  15.821  -7.630   3.892
   74    HG   LEU  10           HG       LEU  10  16.057  -5.567   2.683
   75   HD11  LEU  10          1HD1      LEU  10  14.578  -5.952   0.767
   76   HD12  LEU  10          2HD1      LEU  10  13.154  -5.914   1.840
   77   HD13  LEU  10          3HD1      LEU  10  14.139  -4.450   1.604
   78   HD21  LEU  10          3HD2      LEU  10  15.138  -5.465   4.975
   79   HD22  LEU  10          1HD2      LEU  10  14.454  -4.177   3.968
   80   HD23  LEU  10          2HD2      LEU  10  13.486  -5.633   4.324
   81    H    VAL  11           H        VAL  11  14.910 -10.681   2.237
   82    HA   VAL  11           HA       VAL  11  17.543 -11.449   3.270
   83    HB   VAL  11           HB       VAL  11  14.973 -12.997   2.826
   84   HG11  VAL  11          1HG1      VAL  11  17.663 -13.936   3.920
   85   HG12  VAL  11          2HG1      VAL  11  16.127 -14.824   4.073
   86   HG13  VAL  11          3HG1      VAL  11  16.845 -14.550   2.472
   87   HG21  VAL  11          3HG2      VAL  11  16.565 -12.219   5.319
   88   HG22  VAL  11          1HG2      VAL  11  15.118 -11.359   4.746
   89   HG23  VAL  11          2HG2      VAL  11  14.993 -13.047   5.290
   90    H    GLU  12           H        GLU  12  15.756 -11.654   0.189
   91    HA   GLU  12           HA       GLU  12  17.616 -13.510  -1.023
   92    HB2  GLU  12           2HB      GLU  12  15.668 -11.453  -2.133
   93    HB3  GLU  12           3HB      GLU  12  16.659 -12.500  -3.160
   94    HG2  GLU  12           2HG      GLU  12  15.680 -14.496  -2.084
   95    HG3  GLU  12           3HG      GLU  12  14.659 -13.460  -1.080
   96    H    ARG  13           H        ARG  13  17.472  -9.962  -0.650
   97    HA   ARG  13           HA       ARG  13  19.522  -9.424  -2.585
   98    HB2  ARG  13           2HB      ARG  13  17.761  -7.854  -1.941
   99    HB3  ARG  13           3HB      ARG  13  18.398  -7.766  -0.290
  100    HG2  ARG  13           2HG      ARG  13  20.416  -6.714  -1.039
  101    HG3  ARG  13           3HG      ARG  13  20.035  -7.027  -2.752
  102    HD2  ARG  13           2HD      ARG  13  18.362  -5.286  -0.896
  103    HD3  ARG  13           3HD      ARG  13  19.580  -4.665  -2.029
  104    HE   ARG  13           HE       ARG  13  17.866  -6.256  -3.559
  105   HH11  ARG  13          1HH1      ARG  13  17.568  -3.364  -1.535
  106   HH12  ARG  13          2HH1      ARG  13  16.223  -2.726  -2.445
  107   HH21  ARG  13          1HH2      ARG  13  16.105  -5.387  -4.731
  108   HH22  ARG  13          2HH2      ARG  13  15.398  -3.868  -4.245
  109    H    VAL  14           H        VAL  14  19.595  -9.936   0.971
  110    HA   VAL  14           HA       VAL  14  22.400  -9.253   1.167
  111    HB   VAL  14           HB       VAL  14  22.262 -10.220   3.413
  112   HG11  VAL  14          1HG1      VAL  14  19.923  -8.455   2.569
  113   HG12  VAL  14          2HG1      VAL  14  20.403  -8.737   4.247
  114   HG13  VAL  14          3HG1      VAL  14  21.526  -7.927   3.114
  115   HG21  VAL  14          3HG2      VAL  14  19.448 -11.024   2.609
  116   HG22  VAL  14          1HG2      VAL  14  20.788 -12.120   3.045
  117   HG23  VAL  14          2HG2      VAL  14  20.099 -11.021   4.265
  118    H    GLN  15           H        GLN  15  20.621 -12.173   0.278
  119    HA   GLN  15           HA       GLN  15  22.951 -13.912   0.568
  120    HB2  GLN  15           2HB      GLN  15  20.222 -14.226  -0.730
  121    HB3  GLN  15           3HB      GLN  15  21.446 -15.506  -0.707
  122    HG2  GLN  15           2HG      GLN  15  21.491 -15.489   1.746
  123    HG3  GLN  15           3HG      GLN  15  20.333 -14.165   1.798
  124   HE21  GLN  15          2HE2      GLN  15  19.677 -16.440   3.194
  125   HE22  GLN  15          1HE2      GLN  15  18.400 -17.303   2.368
  126    H    LYS  16           H        LYS  16  21.852 -11.586  -1.722
  127    HA   LYS  16           HA       LYS  16  23.398 -12.763  -3.939
  128    HB2  LYS  16           2HB      LYS  16  21.501 -10.427  -3.690
  129    HB3  LYS  16           3HB      LYS  16  22.442 -10.736  -5.160
  130    HG2  LYS  16           2HG      LYS  16  21.468 -12.930  -5.431
  131    HG3  LYS  16           3HG      LYS  16  20.695 -12.860  -3.839
  132    HD2  LYS  16           2HD      LYS  16  19.352 -10.891  -4.625
  133    HD3  LYS  16           3HD      LYS  16  20.029 -11.128  -6.253
  134    HE2  LYS  16           2HE      LYS  16  19.154 -13.451  -6.268
  135    HE3  LYS  16           3HE      LYS  16  18.488 -13.214  -4.645
  136    HZ1  LYS  16           3HZ      LYS  16  16.817 -12.891  -6.339
  137    HZ2  LYS  16           1HZ      LYS  16  17.089 -11.473  -5.554
  138    HZ3  LYS  16           2HZ      LYS  16  17.703 -11.717  -7.061
  139    H    GLY  17           H        GLY  17  24.200 -11.064  -1.237
  140    HA2  GLY  17           2HA      GLY  17  26.523 -10.629  -0.914
  141    HA3  GLY  17           3HA      GLY  17  26.662 -10.107  -2.598
  142    H    ASP  18           H        ASP  18  23.810  -8.757  -1.362
  143    HA   ASP  18           HA       ASP  18  25.185  -6.170  -0.937
  144    HB2  ASP  18           2HB      ASP  18  22.386  -7.055  -1.657
  145    HB3  ASP  18           3HB      ASP  18  22.688  -5.431  -1.056
  146    H    GLN  19           H        GLN  19  26.025  -6.659   1.162
  147    HA   GLN  19           HA       GLN  19  24.404  -7.528   3.326
  148    HB2  GLN  19           2HB      GLN  19  26.850  -7.725   3.163
  149    HB3  GLN  19           3HB      GLN  19  27.021  -5.969   3.284
  150    HG2  GLN  19           2HG      GLN  19  25.578  -7.578   5.421
  151    HG3  GLN  19           3HG      GLN  19  27.338  -7.473   5.413
  152   HE21  GLN  19          2HE2      GLN  19  25.963  -6.563   7.603
  153   HE22  GLN  19          1HE2      GLN  19  26.072  -4.815   7.684
  154    H    LYS  20           H        LYS  20  24.736  -4.429   1.767
  155    HA   LYS  20           HA       LYS  20  24.036  -2.682   3.900
  156    HB2  LYS  20           2HB      LYS  20  23.469  -1.131   2.103
  157    HB3  LYS  20           3HB      LYS  20  24.922  -2.038   1.653
  158    HG2  LYS  20           2HG      LYS  20  23.420  -3.631   0.363
  159    HG3  LYS  20           3HG      LYS  20  22.074  -2.515   0.683
  160    HD2  LYS  20           2HD      LYS  20  23.373  -0.691  -0.446
  161    HD3  LYS  20           3HD      LYS  20  24.664  -1.865  -0.780
  162    HE2  LYS  20           2HE      LYS  20  23.320  -1.726  -2.768
  163    HE3  LYS  20           3HE      LYS  20  22.958  -3.281  -2.001
  164    HZ1  LYS  20           3HZ      LYS  20  21.338  -0.828  -1.780
  165    HZ2  LYS  20           1HZ      LYS  20  20.976  -2.128  -2.718
  166    HZ3  LYS  20           2HZ      LYS  20  20.979  -2.275  -1.081
  167    H    ALA  21           H        ALA  21  22.114  -5.010   2.076
  168    HA   ALA  21           HA       ALA  21  19.587  -3.766   2.856
  169    HB1  ALA  21           1HB      ALA  21  20.230  -6.453   1.582
  170    HB2  ALA  21           2HB      ALA  21  18.600  -5.767   1.777
  171    HB3  ALA  21           3HB      ALA  21  19.786  -4.957   0.728
  172    H    PHE  22           H        PHE  22  21.871  -5.991   4.301
  173    HA   PHE  22           HA       PHE  22  19.909  -7.226   6.065
  174    HB2  PHE  22           2HB      PHE  22  22.068  -8.326   5.477
  175    HB3  PHE  22           3HB      PHE  22  22.935  -7.041   6.314
  176    HD1  PHE  22           HD1      PHE  22  20.173  -9.542   6.882
  177    HD2  PHE  22           HD2      PHE  22  23.463  -7.343   8.586
  178    HE1  PHE  22           HE1      PHE  22  19.872 -10.748   9.005
  179    HE2  PHE  22           HE2      PHE  22  23.137  -8.545  10.734
  180    HZ   PHE  22           HZ       PHE  22  21.349 -10.242  10.954
  181    H    ASN  23           H        ASN  23  22.151  -4.443   6.152
  182    HA   ASN  23           HA       ASN  23  21.820  -3.770   8.902
  183    HB2  ASN  23           2HB      ASN  23  23.586  -2.788   7.626
  184    HB3  ASN  23           3HB      ASN  23  22.472  -2.260   6.360
  185   HD21  ASN  23          2HD2      ASN  23  21.488  -0.297   6.476
  186   HD22  ASN  23          1HD2      ASN  23  21.673   0.818   7.813
  187    H    LEU  24           H        LEU  24  19.995  -2.875   5.953
  188    HA   LEU  24           HA       LEU  24  18.108  -1.239   7.428
  189    HB2  LEU  24           2HB      LEU  24  17.997  -2.415   4.624
  190    HB3  LEU  24           3HB      LEU  24  16.905  -1.177   5.271
  191    HG   LEU  24           HG       LEU  24  19.925  -0.818   5.047
  192   HD11  LEU  24          1HD1      LEU  24  19.408   0.599   3.095
  193   HD12  LEU  24          2HD1      LEU  24  18.886  -1.080   2.830
  194   HD13  LEU  24          3HD1      LEU  24  17.686   0.165   3.233
  195   HD21  LEU  24          3HD2      LEU  24  18.872   0.616   6.756
  196   HD22  LEU  24          1HD2      LEU  24  19.351   1.576   5.338
  197   HD23  LEU  24          2HD2      LEU  24  17.647   1.140   5.575
  198    H    LEU  25           H        LEU  25  18.413  -4.654   6.819
  199    HA   LEU  25           HA       LEU  25  15.568  -5.206   7.223
  200    HB2  LEU  25           2HB      LEU  25  16.940  -6.658   5.800
  201    HB3  LEU  25           3HB      LEU  25  18.043  -6.977   7.153
  202    HG   LEU  25           HG       LEU  25  16.240  -8.117   8.383
  203   HD11  LEU  25          1HD1      LEU  25  14.133  -8.681   7.214
  204   HD12  LEU  25          2HD1      LEU  25  14.285  -6.924   7.438
  205   HD13  LEU  25          3HD1      LEU  25  14.615  -7.652   5.846
  206   HD21  LEU  25          3HD2      LEU  25  16.652  -9.092   5.525
  207   HD22  LEU  25          1HD2      LEU  25  17.732  -9.397   6.901
  208   HD23  LEU  25          2HD2      LEU  25  16.089 -10.083   6.889
  209    H    VAL  26           H        VAL  26  18.581  -5.347   9.260
  210    HA   VAL  26           HA       VAL  26  17.109  -6.602  11.392
  211    HB   VAL  26           HB       VAL  26  19.004  -6.204  12.801
  212   HG11  VAL  26          1HG1      VAL  26  19.140  -8.052  11.189
  213   HG12  VAL  26          2HG1      VAL  26  19.917  -6.971  10.002
  214   HG13  VAL  26          3HG1      VAL  26  20.742  -7.356  11.520
  215   HG21  VAL  26          3HG2      VAL  26  20.103  -4.441  10.587
  216   HG22  VAL  26          1HG2      VAL  26  19.567  -3.927  12.213
  217   HG23  VAL  26          2HG2      VAL  26  20.986  -4.972  12.040
  218    H    VAL  27           H        VAL  27  17.492  -3.175  10.458
  219    HA   VAL  27           HA       VAL  27  16.844  -2.168  13.071
  220    HB   VAL  27           HB       VAL  27  16.215  -0.081  11.887
  221   HG11  VAL  27          1HG1      VAL  27  18.555  -0.494  12.480
  222   HG12  VAL  27          2HG1      VAL  27  18.799  -1.381  10.954
  223   HG13  VAL  27          3HG1      VAL  27  18.437   0.356  10.916
  224   HG21  VAL  27          3HG2      VAL  27  16.555   0.097   9.472
  225   HG22  VAL  27          1HG2      VAL  27  16.938  -1.635   9.380
  226   HG23  VAL  27          2HG2      VAL  27  15.282  -1.103   9.813
  227    H    ARG  28           H        ARG  28  14.843  -3.523  10.482
  228    HA   ARG  28           HA       ARG  28  12.344  -2.483  11.491
  229    HB2  ARG  28           2HB      ARG  28  12.774  -5.060   9.931
  230    HB3  ARG  28           3HB      ARG  28  11.329  -4.037   9.972
  231    HG2  ARG  28           2HG      ARG  28  12.673  -2.221   8.833
  232    HG3  ARG  28           3HG      ARG  28  14.038  -3.350   8.761
  233    HD2  ARG  28           2HD      ARG  28  12.951  -3.425   6.639
  234    HD3  ARG  28           3HD      ARG  28  12.636  -4.955   7.476
  235    HE   ARG  28           HE       ARG  28  10.430  -3.555   8.152
  236   HH11  ARG  28          1HH1      ARG  28  12.030  -3.939   5.017
  237   HH12  ARG  28          2HH1      ARG  28  10.543  -3.761   4.113
  238   HH21  ARG  28          1HH2      ARG  28   8.514  -3.320   6.934
  239   HH22  ARG  28          2HH2      ARG  28   8.565  -3.424   5.191
  240    H    TYR  29           H        TYR  29  14.384  -5.261  12.184
  241    HA   TYR  29           HA       TYR  29  12.336  -6.362  14.022
  242    HB2  TYR  29           2HB      TYR  29  14.877  -7.496  12.824
  243    HB3  TYR  29           3HB      TYR  29  13.912  -8.325  14.050
  244    HD1  TYR  29           HD2      TYR  29  13.833  -6.978  10.574
  245    HD2  TYR  29           HD1      TYR  29  11.903  -9.439  13.512
  246    HE1  TYR  29           HE2      TYR  29  12.273  -7.791   8.837
  247    HE2  TYR  29           HE1      TYR  29  10.351 -10.301  11.790
  248    HH   TYR  29           HH       TYR  29   9.715 -10.216   9.574
  249    H    GLN  30           H        GLN  30  15.004  -4.281  14.172
  250    HA   GLN  30           HA       GLN  30  16.346  -5.174  16.499
  251    HB2  GLN  30           2HB      GLN  30  17.128  -3.511  14.827
  252    HB3  GLN  30           3HB      GLN  30  15.934  -2.352  15.429
  253    HG2  GLN  30           2HG      GLN  30  17.054  -2.344  17.627
  254    HG3  GLN  30           3HG      GLN  30  18.197  -3.579  17.056
  255   HE21  GLN  30          2HE2      GLN  30  19.198  -2.940  14.771
  256   HE22  GLN  30          1HE2      GLN  30  19.792  -1.297  14.653
  257    H    HIS  31           H        HIS  31  13.314  -3.383  16.047
  258    HA   HIS  31           HA       HIS  31  13.062  -2.861  18.933
  259    HB2  HIS  31           2HB      HIS  31  12.213  -1.283  17.225
  260    HB3  HIS  31           3HB      HIS  31  11.103  -2.538  16.635
  261    HD2  HIS  31           HD2      HIS  31   8.777  -2.667  17.770
  262    HE1  HIS  31           HE1      HIS  31   9.520  -0.250  21.188
  263    HE2  HIS  31           HE2      HIS  31   7.738  -1.523  19.887
  264    H    LYS  32           H        LYS  32  12.053  -5.291  16.554
  265    HA   LYS  32           HA       LYS  32   9.952  -6.378  18.234
  266    HB2  LYS  32           2HB      LYS  32  11.358  -7.546  15.803
  267    HB3  LYS  32           3HB      LYS  32   9.850  -8.141  16.524
  268    HG2  LYS  32           2HG      LYS  32   8.765  -5.955  16.057
  269    HG3  LYS  32           3HG      LYS  32  10.267  -5.382  15.299
  270    HD2  LYS  32           2HD      LYS  32  10.146  -7.228  13.654
  271    HD3  LYS  32           3HD      LYS  32   8.632  -7.793  14.402
  272    HE2  LYS  32           2HE      LYS  32   7.582  -5.609  13.902
  273    HE3  LYS  32           3HE      LYS  32   9.084  -5.055  13.143
  274    HZ1  LYS  32           3HZ      LYS  32   7.517  -5.864  11.523
  275    HZ2  LYS  32           1HZ      LYS  32   8.852  -6.823  11.537
  276    HZ3  LYS  32           2HZ      LYS  32   7.458  -7.338  12.245
  277    H    VAL  33           H        VAL  33  13.367  -7.329  17.525
  278    HA   VAL  33           HA       VAL  33  13.052  -9.711  19.171
  279    HB   VAL  33           HB       VAL  33  15.317 -10.213  18.676
  280   HG11  VAL  33          1HG1      VAL  33  13.646 -10.614  16.907
  281   HG12  VAL  33          2HG1      VAL  33  13.998  -9.021  16.202
  282   HG13  VAL  33          3HG1      VAL  33  15.255 -10.274  16.228
  283   HG21  VAL  33          3HG2      VAL  33  15.574  -7.418  17.500
  284   HG22  VAL  33          1HG2      VAL  33  16.379  -8.051  18.956
  285   HG23  VAL  33          2HG2      VAL  33  16.774  -8.727  17.364
  286    H    ALA  34           H        ALA  34  14.156  -6.383  19.657
  287    HA   ALA  34           HA       ALA  34  15.540  -6.943  22.126
  288    HB1  ALA  34           1HB      ALA  34  14.269  -4.371  21.113
  289    HB2  ALA  34           2HB      ALA  34  15.426  -4.512  22.461
  290    HB3  ALA  34           3HB      ALA  34  15.939  -4.902  20.811
  291    H    SER  35           H        SER  35  12.170  -6.657  21.208
  292    HA   SER  35           HA       SER  35  11.184  -6.022  23.866
  293    HB2  SER  35           2HB      SER  35   9.976  -5.492  21.755
  294    HB3  SER  35           3HB      SER  35   9.781  -7.232  21.451
  295    HG   SER  35           HG       SER  35   7.966  -6.278  22.512
  296    H    LEU  36           H        LEU  36  11.604  -8.990  21.897
  297    HA   LEU  36           HA       LEU  36  10.410 -10.604  24.027
  298    HB2  LEU  36           2HB      LEU  36  10.650 -12.468  22.527
  299    HB3  LEU  36           3HB      LEU  36   9.974 -11.076  21.675
  300    HG   LEU  36           HG       LEU  36  12.460 -10.627  20.956
  301   HD11  LEU  36          1HD1      LEU  36  13.550 -12.418  22.322
  302   HD12  LEU  36          2HD1      LEU  36  12.526 -13.629  21.528
  303   HD13  LEU  36          3HD1      LEU  36  13.736 -12.723  20.590
  304   HD21  LEU  36          3HD2      LEU  36  12.091 -12.081  18.987
  305   HD22  LEU  36          1HD2      LEU  36  10.820 -12.954  19.880
  306   HD23  LEU  36          2HD2      LEU  36  10.602 -11.233  19.462
  307    H    VAL  37           H        VAL  37  13.666  -9.638  23.082
  308    HA   VAL  37           HA       VAL  37  14.792 -11.854  24.639
  309    HB   VAL  37           HB       VAL  37  15.717 -10.982  22.437
  310   HG11  VAL  37          1HG1      VAL  37  15.742  -8.549  23.307
  311   HG12  VAL  37          2HG1      VAL  37  17.224  -9.027  24.176
  312   HG13  VAL  37          3HG1      VAL  37  17.169  -9.147  22.409
  313   HG21  VAL  37          3HG2      VAL  37  18.006 -11.522  23.101
  314   HG22  VAL  37          1HG2      VAL  37  17.605 -11.238  24.809
  315   HG23  VAL  37          2HG2      VAL  37  16.855 -12.594  23.933
  316    H    SER  38           H        SER  38  13.866  -8.531  25.180
  317    HA   SER  38           HA       SER  38  15.505  -8.098  27.507
  318    HB2  SER  38           2HB      SER  38  14.308  -6.291  26.259
  319    HB3  SER  38           3HB      SER  38  12.764  -6.958  26.821
  320    HG   SER  38           HG       SER  38  13.527  -6.607  28.973
  321    H    ARG  39           H        ARG  39  13.027 -10.313  26.842
  322    HA   ARG  39           HA       ARG  39  12.054 -10.525  29.610
  323    HB2  ARG  39           2HB      ARG  39  11.393 -12.248  27.209
  324    HB3  ARG  39           3HB      ARG  39  10.486 -12.124  28.726
  325    HG2  ARG  39           2HG      ARG  39   9.988  -9.740  28.228
  326    HG3  ARG  39           3HG      ARG  39  10.918  -9.860  26.720
  327    HD2  ARG  39           2HD      ARG  39   9.365 -11.728  26.011
  328    HD3  ARG  39           3HD      ARG  39   8.342 -11.304  27.399
  329    HE   ARG  39           HE       ARG  39   9.050  -9.034  25.695
  330   HH11  ARG  39          1HH1      ARG  39   6.751 -11.677  26.149
  331   HH12  ARG  39          2HH1      ARG  39   5.497 -10.909  25.199
  332   HH21  ARG  39          1HH2      ARG  39   7.403  -8.042  24.491
  333   HH22  ARG  39          2HH2      ARG  39   5.861  -8.835  24.281
  334    H    TYR  40           H        TYR  40  14.781 -11.556  27.949
  335    HA   TYR  40           HA       TYR  40  15.032 -13.966  29.700
  336    HB2  TYR  40           2HB      TYR  40  16.142 -13.485  26.915
  337    HB3  TYR  40           3HB      TYR  40  16.552 -14.856  27.947
  338    HD1  TYR  40           HD2      TYR  40  14.828 -16.563  28.534
  339    HD2  TYR  40           HD1      TYR  40  14.093 -13.451  25.659
  340    HE1  TYR  40           HE2      TYR  40  12.853 -17.813  27.683
  341    HE2  TYR  40           HE1      TYR  40  12.153 -14.706  24.779
  342    HH   TYR  40           HH       TYR  40  10.836 -16.578  24.999
  343    H    VAL  41           H        VAL  41  16.359 -10.871  28.771
  344    HA   VAL  41           HA       VAL  41  18.456 -11.262  30.818
  345    HB   VAL  41           HB       VAL  41  20.051  -9.931  29.365
  346   HG11  VAL  41          1HG1      VAL  41  19.303 -12.705  28.364
  347   HG12  VAL  41          2HG1      VAL  41  20.866 -11.885  28.148
  348   HG13  VAL  41          3HG1      VAL  41  20.328 -12.354  29.772
  349   HG21  VAL  41          3HG2      VAL  41  18.225 -10.834  27.110
  350   HG22  VAL  41          1HG2      VAL  41  18.385  -9.154  27.688
  351   HG23  VAL  41          2HG2      VAL  41  19.775  -9.981  26.957
  352    HA   PRO  42           HA       PRO  42  16.974  -7.380  32.176
  353    HB2  PRO  42           2HB      PRO  42  19.138  -6.257  33.397
  354    HB3  PRO  42           3HB      PRO  42  18.336  -7.730  34.027
  355    HG2  PRO  42           2HG      PRO  42  20.771  -7.588  32.220
  356    HG3  PRO  42           3HG      PRO  42  20.607  -8.485  33.771
  357    HD2  PRO  42           2HD      PRO  42  20.224  -9.722  31.394
  358    HD3  PRO  42           3HD      PRO  42  19.137 -10.076  32.778
  359    H    SER  43           H        SER  43  17.298  -4.975  31.999
  360    HA   SER  43           HA       SER  43  17.611  -4.306  29.259
  361    HB2  SER  43           2HB      SER  43  17.485  -2.490  31.697
  362    HB3  SER  43           3HB      SER  43  17.162  -2.018  30.016
  363    HG   SER  43           HG       SER  43  15.244  -2.502  31.152
  364    H    GLY  44           H        GLY  44  20.042  -4.673  31.664
  365    HA2  GLY  44           2HA      GLY  44  21.843  -2.662  30.498
  366    HA3  GLY  44           3HA      GLY  44  22.177  -3.764  31.851
  367    H    ASP  45           H        ASP  45  21.030  -6.016  30.001
  368    HA   ASP  45           HA       ASP  45  23.543  -6.417  28.442
  369    HB2  ASP  45           2HB      ASP  45  21.781  -8.381  29.933
  370    HB3  ASP  45           3HB      ASP  45  23.091  -8.846  28.832
  371    H    VAL  46           H        VAL  46  20.233  -5.798  28.130
  372    HA   VAL  46           HA       VAL  46  19.586  -7.678  26.080
  373    HB   VAL  46           HB       VAL  46  17.965  -6.466  27.542
  374   HG11  VAL  46          1HG1      VAL  46  18.372  -4.182  25.566
  375   HG12  VAL  46          2HG1      VAL  46  17.097  -4.316  26.797
  376   HG13  VAL  46          3HG1      VAL  46  18.792  -4.149  27.303
  377   HG21  VAL  46          3HG2      VAL  46  17.563  -6.402  24.538
  378   HG22  VAL  46          1HG2      VAL  46  17.203  -7.734  25.682
  379   HG23  VAL  46          2HG2      VAL  46  16.273  -6.226  25.742
  380    HA   PRO  47           HA       PRO  47  20.546  -4.267  22.954
  381    HB2  PRO  47           2HB      PRO  47  22.556  -2.480  23.320
  382    HB3  PRO  47           3HB      PRO  47  20.930  -2.226  24.038
  383    HG2  PRO  47           2HG      PRO  47  23.385  -3.422  25.369
  384    HG3  PRO  47           3HG      PRO  47  22.341  -2.094  25.972
  385    HD2  PRO  47           2HD      PRO  47  22.013  -4.682  26.746
  386    HD3  PRO  47           3HD      PRO  47  20.609  -3.591  26.530
  387    H    ASP  48           H        ASP  48  23.132  -5.788  24.840
  388    HA   ASP  48           HA       ASP  48  24.950  -5.933  22.557
  389    HB2  ASP  48           2HB      ASP  48  25.710  -5.692  24.919
  390    HB3  ASP  48           3HB      ASP  48  25.041  -7.299  25.271
  391    H    VAL  49           H        VAL  49  22.517  -7.968  24.140
  392    HA   VAL  49           HA       VAL  49  23.299 -10.372  22.700
  393    HB   VAL  49           HB       VAL  49  20.865  -9.607  24.353
  394   HG11  VAL  49          1HG1      VAL  49  20.343 -12.030  24.380
  395   HG12  VAL  49          2HG1      VAL  49  20.207 -11.354  22.744
  396   HG13  VAL  49          3HG1      VAL  49  21.636 -12.320  23.191
  397   HG21  VAL  49          3HG2      VAL  49  23.238 -11.448  24.896
  398   HG22  VAL  49          1HG2      VAL  49  23.012  -9.829  25.589
  399   HG23  VAL  49          2HG2      VAL  49  21.883 -11.135  26.006
  400    H    VAL  50           H        VAL  50  21.156  -7.608  22.117
  401    HA   VAL  50           HA       VAL  50  19.766  -8.849  19.893
  402    HB   VAL  50           HB       VAL  50  20.186  -5.971  20.790
  403   HG11  VAL  50          1HG1      VAL  50  19.916  -5.930  18.341
  404   HG12  VAL  50          2HG1      VAL  50  18.516  -7.022  18.462
  405   HG13  VAL  50          3HG1      VAL  50  18.428  -5.377  19.128
  406   HG21  VAL  50          3HG2      VAL  50  18.690  -7.490  22.139
  407   HG22  VAL  50          1HG2      VAL  50  17.830  -6.125  21.405
  408   HG23  VAL  50          2HG2      VAL  50  17.715  -7.749  20.676
  409    H    GLN  51           H        GLN  51  22.783  -6.963  20.301
  410    HA   GLN  51           HA       GLN  51  23.234  -6.720  17.453
  411    HB2  GLN  51           2HB      GLN  51  24.225  -5.186  19.103
  412    HB3  GLN  51           3HB      GLN  51  25.139  -6.535  19.817
  413    HG2  GLN  51           2HG      GLN  51  26.368  -6.859  17.743
  414    HG3  GLN  51           3HG      GLN  51  25.372  -5.656  16.912
  415   HE21  GLN  51          2HE2      GLN  51  27.886  -5.083  16.592
  416   HE22  GLN  51          1HE2      GLN  51  28.472  -3.859  17.694
  417    H    GLU  52           H        GLU  52  24.331  -9.048  19.998
  418    HA   GLU  52           HA       GLU  52  25.973 -10.519  18.156
  419    HB2  GLU  52           2HB      GLU  52  26.171 -10.620  20.636
  420    HB3  GLU  52           3HB      GLU  52  24.616 -11.476  20.713
  421    HG2  GLU  52           2HG      GLU  52  25.509 -13.317  19.368
  422    HG3  GLU  52           3HG      GLU  52  27.033 -12.443  19.134
  423    H    ALA  53           H        ALA  53  22.494 -10.515  18.857
  424    HA   ALA  53           HA       ALA  53  21.982 -13.054  17.594
  425    HB1  ALA  53           1HB      ALA  53  20.152 -10.679  18.128
  426    HB2  ALA  53           2HB      ALA  53  19.634 -12.317  17.664
  427    HB3  ALA  53           3HB      ALA  53  20.439 -12.047  19.223
  428    H    PHE  54           H        PHE  54  22.371  -9.712  16.402
  429    HA   PHE  54           HA       PHE  54  21.334 -10.466  13.752
  430    HB2  PHE  54           2HB      PHE  54  22.602  -7.940  14.857
  431    HB3  PHE  54           3HB      PHE  54  22.087  -8.124  13.188
  432    HD1  PHE  54           HD1      PHE  54  19.510  -9.737  13.706
  433    HD2  PHE  54           HD2      PHE  54  21.126  -6.194  15.541
  434    HE1  PHE  54           HE1      PHE  54  17.232  -9.002  14.306
  435    HE2  PHE  54           HE2      PHE  54  18.830  -5.435  16.083
  436    HZ   PHE  54           HZ       PHE  54  16.883  -6.851  15.481
  437    H    ILE  55           H        ILE  55  24.500 -10.155  15.363
  438    HA   ILE  55           HA       ILE  55  25.997 -10.398  12.886
  439    HB   ILE  55           HB       ILE  55  26.707 -10.982  15.788
  440   HG12  ILE  55          2HG1      ILE  55  27.393  -8.581  14.025
  441   HG13  ILE  55          3HG1      ILE  55  26.094  -8.596  15.210
  442   HG21  ILE  55          1HG2      ILE  55  29.063 -10.931  15.033
  443   HG22  ILE  55          2HG2      ILE  55  28.174 -12.215  14.209
  444   HG23  ILE  55          3HG2      ILE  55  28.519 -10.694  13.352
  445   HD11  ILE  55          3HD1      ILE  55  27.760  -9.101  17.008
  446   HD12  ILE  55          1HD1      ILE  55  29.063  -8.964  15.800
  447   HD13  ILE  55          2HD1      ILE  55  28.061  -7.556  16.190
  448    H    LYS  56           H        LYS  56  24.623 -12.626  15.307
  449    HA   LYS  56           HA       LYS  56  25.788 -15.003  14.131
  450    HB2  LYS  56           2HB      LYS  56  25.214 -14.738  16.523
  451    HB3  LYS  56           3HB      LYS  56  23.498 -14.590  16.100
  452    HG2  LYS  56           2HG      LYS  56  23.560 -16.898  15.145
  453    HG3  LYS  56           3HG      LYS  56  25.269 -17.026  15.608
  454    HD2  LYS  56           2HD      LYS  56  22.937 -16.529  17.503
  455    HD3  LYS  56           3HD      LYS  56  23.751 -18.092  17.269
  456    HE2  LYS  56           2HE      LYS  56  25.883 -17.111  18.052
  457    HE3  LYS  56           3HE      LYS  56  25.082 -15.537  18.269
  458    HZ1  LYS  56           3HZ      LYS  56  23.641 -16.563  19.872
  459    HZ2  LYS  56           1HZ      LYS  56  24.405 -18.011  19.706
  460    HZ3  LYS  56           2HZ      LYS  56  25.221 -16.716  20.316
  461    H    ALA  57           H        ALA  57  22.726 -13.188  13.770
  462    HA   ALA  57           HA       ALA  57  21.354 -15.304  12.387
  463    HB1  ALA  57           1HB      ALA  57  20.938 -12.289  12.372
  464    HB2  ALA  57           2HB      ALA  57  19.822 -13.484  11.676
  465    HB3  ALA  57           3HB      ALA  57  20.115 -13.477  13.422
  466    H    TYR  58           H        TYR  58  23.379 -12.516  11.277
  467    HA   TYR  58           HA       TYR  58  22.794 -12.831   8.522
  468    HB2  TYR  58           2HB      TYR  58  23.917 -10.882   9.613
  469    HB3  TYR  58           3HB      TYR  58  25.356 -11.877   9.855
  470    HD1  TYR  58           HD2      TYR  58  23.006 -10.921   7.069
  471    HD2  TYR  58           HD1      TYR  58  27.057 -11.691   8.294
  472    HE1  TYR  58           HE2      TYR  58  23.803 -10.260   4.822
  473    HE2  TYR  58           HE1      TYR  58  27.864 -11.069   6.034
  474    HH   TYR  58           HH       TYR  58  27.275 -10.352   3.925
  475    H    ARG  59           H        ARG  59  25.253 -14.362  10.603
  476    HA   ARG  59           HA       ARG  59  26.661 -15.679   8.448
  477    HB2  ARG  59           2HB      ARG  59  26.528 -16.149  11.453
  478    HB3  ARG  59           3HB      ARG  59  27.669 -16.956  10.355
  479    HG2  ARG  59           2HG      ARG  59  28.700 -14.853   9.758
  480    HG3  ARG  59           3HG      ARG  59  27.458 -13.918  10.616
  481    HD2  ARG  59           2HD      ARG  59  28.139 -14.848  12.753
  482    HD3  ARG  59           3HD      ARG  59  29.275 -15.941  11.956
  483    HE   ARG  59           HE       ARG  59  29.602 -13.045  12.445
  484   HH11  ARG  59          1HH1      ARG  59  30.822 -15.914  10.771
  485   HH12  ARG  59          2HH1      ARG  59  32.406 -15.224  10.502
  486   HH21  ARG  59          1HH2      ARG  59  31.672 -12.173  12.080
  487   HH22  ARG  59          2HH2      ARG  59  32.882 -13.106  11.235
  488    H    ALA  60           H        ALA  60  23.824 -16.437  10.366
  489    HA   ALA  60           HA       ALA  60  23.736 -19.203   9.330
  490    HB1  ALA  60           1HB      ALA  60  21.872 -17.694  11.202
  491    HB2  ALA  60           2HB      ALA  60  21.814 -19.435  10.828
  492    HB3  ALA  60           3HB      ALA  60  23.209 -18.762  11.698
  493    H    LEU  61           H        LEU  61  22.717 -16.081   8.339
  494    HA   LEU  61           HA       LEU  61  20.153 -16.818   7.239
  495    HB2  LEU  61           2HB      LEU  61  20.935 -14.506   7.992
  496    HB3  LEU  61           3HB      LEU  61  21.948 -14.461   6.536
  497    HG   LEU  61           HG       LEU  61  19.848 -14.785   5.165
  498   HD11  LEU  61          1HD1      LEU  61  18.574 -14.400   7.906
  499   HD12  LEU  61          2HD1      LEU  61  17.694 -14.283   6.362
  500   HD13  LEU  61          3HD1      LEU  61  18.396 -15.834   6.863
  501   HD21  LEU  61          3HD2      LEU  61  19.870 -12.433   7.110
  502   HD22  LEU  61          1HD2      LEU  61  20.832 -12.567   5.616
  503   HD23  LEU  61          2HD2      LEU  61  19.049 -12.478   5.535
  504    H    ASP  62           H        ASP  62  23.503 -16.880   6.146
  505    HA   ASP  62           HA       ASP  62  22.940 -17.236   3.351
  506    HB2  ASP  62           2HB      ASP  62  25.128 -16.530   4.313
  507    HB3  ASP  62           3HB      ASP  62  25.314 -18.135   5.031
  508    H    SER  63           H        SER  63  22.337 -19.191   6.075
  509    HA   SER  63           HA       SER  63  22.293 -21.679   4.442
  510    HB2  SER  63           2HB      SER  63  22.494 -21.292   7.454
  511    HB3  SER  63           3HB      SER  63  22.425 -22.851   6.606
  512    HG   SER  63           HG       SER  63  24.570 -22.180   7.082
  513    H    PHE  64           H        PHE  64  20.273 -19.238   5.481
  514    HA   PHE  64           HA       PHE  64  18.052 -20.798   6.455
  515    HB2  PHE  64           2HB      PHE  64  18.381 -18.439   7.008
  516    HB3  PHE  64           3HB      PHE  64  18.238 -17.999   5.302
  517    HD1  PHE  64           HD2      PHE  64  16.168 -20.242   7.533
  518    HD2  PHE  64           HD1      PHE  64  16.313 -16.768   5.007
  519    HE1  PHE  64           HE2      PHE  64  13.729 -19.933   7.821
  520    HE2  PHE  64           HE1      PHE  64  13.863 -16.450   5.311
  521    HZ   PHE  64           HZ       PHE  64  12.577 -18.044   6.698
  522    H    ARG  65           H        ARG  65  16.116 -21.346   5.324
  523    HA   ARG  65           HA       ARG  65  16.504 -21.578   2.365
  524    HB2  ARG  65           2HB      ARG  65  15.261 -23.594   4.272
  525    HB3  ARG  65           3HB      ARG  65  15.423 -23.779   2.519
  526    HG2  ARG  65           2HG      ARG  65  17.721 -23.561   4.507
  527    HG3  ARG  65           3HG      ARG  65  17.163 -25.041   3.727
  528    HD2  ARG  65           2HD      ARG  65  18.318 -22.619   2.287
  529    HD3  ARG  65           3HD      ARG  65  19.172 -24.130   2.632
  530    HE   ARG  65           HE       ARG  65  16.887 -24.911   1.255
  531   HH11  ARG  65          1HH1      ARG  65  19.600 -22.743   0.609
  532   HH12  ARG  65          2HH1      ARG  65  19.553 -23.003  -1.120
  533   HH21  ARG  65          1HH2      ARG  65  16.824 -25.215  -1.005
  534   HH22  ARG  65          2HH2      ARG  65  17.968 -24.391  -2.030
  535    H    GLY  66           H        GLY  66  14.558 -20.161   4.715
  536    HA2  GLY  66           2HA      GLY  66  12.534 -19.081   4.523
  537    HA3  GLY  66           3HA      GLY  66  12.559 -19.411   2.790
  538    H    ASP  67           H        ASP  67  12.859 -22.202   4.860
  539    HA   ASP  67           HA       ASP  67  10.378 -23.317   3.939
  540    HB2  ASP  67           2HB      ASP  67  12.432 -24.600   4.477
  541    HB3  ASP  67           3HB      ASP  67  12.236 -24.188   6.188
  542    H    SER  68           H        SER  68  11.056 -21.039   6.329
  543    HA   SER  68           HA       SER  68   8.314 -21.231   7.394
  544    HB2  SER  68           2HB      SER  68   9.777 -22.462   9.000
  545    HB3  SER  68           3HB      SER  68  10.788 -21.011   9.158
  546    HG   SER  68           HG       SER  68   9.161 -21.206  10.792
  547    H    ALA  69           H        ALA  69   7.910 -19.080   8.699
  548    HA   ALA  69           HA       ALA  69   8.592 -16.916   6.947
  549    HB1  ALA  69           1HB      ALA  69   6.493 -17.020   8.251
  550    HB2  ALA  69           2HB      ALA  69   7.421 -16.853   9.758
  551    HB3  ALA  69           3HB      ALA  69   7.399 -15.524   8.576
  552    H    PHE  70           H        PHE  70   9.939 -15.098   7.277
  553    HA   PHE  70           HA       PHE  70  12.465 -15.773   8.414
  554    HB2  PHE  70           2HB      PHE  70  12.251 -14.232   6.541
  555    HB3  PHE  70           3HB      PHE  70  11.271 -13.134   7.515
  556    HD1  PHE  70           HD1      PHE  70  14.631 -14.829   7.684
  557    HD2  PHE  70           HD2      PHE  70  12.324 -11.277   8.454
  558    HE1  PHE  70           HE1      PHE  70  16.669 -13.670   8.479
  559    HE2  PHE  70           HE2      PHE  70  14.371 -10.111   9.217
  560    HZ   PHE  70           HZ       PHE  70  16.555 -11.311   9.233
  561    H    TYR  71           H        TYR  71   9.671 -13.912   9.703
  562    HA   TYR  71           HA       TYR  71  11.196 -12.740  11.827
  563    HB2  TYR  71           2HB      TYR  71   9.074 -12.096  12.767
  564    HB3  TYR  71           3HB      TYR  71   9.077 -11.800  11.031
  565    HD1  TYR  71           HD2      TYR  71   7.786 -14.025  13.720
  566    HD2  TYR  71           HD1      TYR  71   7.483 -12.852   9.592
  567    HE1  TYR  71           HE2      TYR  71   5.666 -15.295  13.521
  568    HE2  TYR  71           HE1      TYR  71   5.354 -14.114   9.388
  569    HH   TYR  71           HH       TYR  71   3.815 -15.443  10.453
  570    H    THR  72           H        THR  72   9.390 -15.832  11.538
  571    HA   THR  72           HA       THR  72   9.601 -16.428  14.359
  572    HB   THR  72           HB       THR  72   9.298 -18.319  11.982
  573    HG1  THR  72           1HG      THR  72   7.090 -18.111  12.461
  574   HG21  THR  72          1HG2      THR  72   8.639 -18.608  14.950
  575   HG22  THR  72          2HG2      THR  72   8.236 -19.794  13.680
  576   HG23  THR  72          3HG2      THR  72   9.932 -19.464  14.077
  577    H    TRP  73           H        TRP  73  11.604 -17.028  11.466
  578    HA   TRP  73           HA       TRP  73  13.432 -18.824  12.774
  579    HB2  TRP  73           2HB      TRP  73  13.102 -18.811  10.364
  580    HB3  TRP  73           3HB      TRP  73  13.583 -17.118  10.267
  581    HD1  TRP  73           HD1      TRP  73  14.988 -20.616  10.466
  582    HE1  TRP  73           HE1      TRP  73  17.511 -20.586  10.097
  583    HE3  TRP  73           HE3      TRP  73  15.755 -15.559  10.616
  584    HZ2  TRP  73           HZ2      TRP  73  19.624 -18.609   9.939
  585    HZ3  TRP  73           HZ3      TRP  73  18.036 -14.643  10.365
  586    HH2  TRP  73           HH2      TRP  73  19.964 -16.149  10.035
  587    H    LEU  74           H        LEU  74  13.246 -15.289  12.427
  588    HA   LEU  74           HA       LEU  74  15.980 -14.887  13.333
  589    HB2  LEU  74           2HB      LEU  74  14.839 -13.403  11.709
  590    HB3  LEU  74           3HB      LEU  74  13.649 -12.974  12.939
  591    HG   LEU  74           HG       LEU  74  15.423 -11.976  14.346
  592   HD11  LEU  74          1HD1      LEU  74  17.252 -12.663  12.005
  593   HD12  LEU  74          2HD1      LEU  74  17.693 -11.618  13.382
  594   HD13  LEU  74          3HD1      LEU  74  17.364 -13.338  13.645
  595   HD21  LEU  74          3HD2      LEU  74  15.433 -11.000  11.464
  596   HD22  LEU  74          1HD2      LEU  74  14.214 -10.603  12.695
  597   HD23  LEU  74          2HD2      LEU  74  15.889 -10.038  12.891
  598    H    TYR  75           H        TYR  75  12.705 -14.808  14.801
  599    HA   TYR  75           HA       TYR  75  13.500 -13.582  17.260
  600    HB2  TYR  75           2HB      TYR  75  11.305 -15.593  16.638
  601    HB3  TYR  75           3HB      TYR  75  11.465 -14.734  18.165
  602    HD1  TYR  75           HD2      TYR  75  12.406 -12.249  15.919
  603    HD2  TYR  75           HD1      TYR  75   8.953 -14.556  17.063
  604    HE1  TYR  75           HE2      TYR  75  10.933 -10.452  15.091
  605    HE2  TYR  75           HE1      TYR  75   7.472 -12.753  16.207
  606    HH   TYR  75           HH       TYR  75   7.368 -10.682  15.229
  607    H    ARG  76           H        ARG  76  13.835 -16.866  15.999
  608    HA   ARG  76           HA       ARG  76  14.392 -18.098  18.559
  609    HB2  ARG  76           2HB      ARG  76  14.897 -18.943  15.681
  610    HB3  ARG  76           3HB      ARG  76  15.199 -19.986  17.080
  611    HG2  ARG  76           2HG      ARG  76  12.503 -18.725  16.480
  612    HG3  ARG  76           3HG      ARG  76  12.976 -20.355  15.949
  613    HD2  ARG  76           2HD      ARG  76  13.340 -21.013  18.311
  614    HD3  ARG  76           3HD      ARG  76  12.853 -19.390  18.838
  615    HE   ARG  76           HE       ARG  76  10.763 -20.380  17.237
  616   HH11  ARG  76          1HH1      ARG  76  12.333 -21.178  20.302
  617   HH12  ARG  76          2HH1      ARG  76  10.886 -21.877  20.997
  618   HH21  ARG  76          1HH2      ARG  76   8.896 -21.307  18.164
  619   HH22  ARG  76          2HH2      ARG  76   8.952 -21.951  19.786
  620    H    ILE  77           H        ILE  77  16.324 -16.308  16.207
  621    HA   ILE  77           HA       ILE  77  18.857 -17.367  17.138
  622    HB   ILE  77           HB       ILE  77  18.335 -14.669  15.839
  623   HG12  ILE  77          2HG1      ILE  77  17.371 -16.339  14.364
  624   HG13  ILE  77          3HG1      ILE  77  18.867 -15.719  13.685
  625   HG21  ILE  77          1HG2      ILE  77  20.792 -16.461  16.035
  626   HG22  ILE  77          2HG2      ILE  77  20.692 -14.982  15.055
  627   HG23  ILE  77          3HG2      ILE  77  20.548 -14.887  16.820
  628   HD11  ILE  77          3HD1      ILE  77  18.707 -18.143  13.380
  629   HD12  ILE  77          1HD1      ILE  77  20.076 -17.750  14.439
  630   HD13  ILE  77          2HD1      ILE  77  18.558 -18.381  15.133
  631    H    ALA  78           H        ALA  78  16.752 -14.626  18.069
  632    HA   ALA  78           HA       ALA  78  18.793 -13.422  19.719
  633    HB1  ALA  78           1HB      ALA  78  15.793 -12.959  19.538
  634    HB2  ALA  78           2HB      ALA  78  16.956 -11.891  20.369
  635    HB3  ALA  78           3HB      ALA  78  17.050 -12.108  18.610
  636    H    VAL  79           H        VAL  79  16.041 -15.648  20.377
  637    HA   VAL  79           HA       VAL  79  16.348 -15.294  23.248
  638    HB   VAL  79           HB       VAL  79  14.175 -15.773  22.281
  639   HG11  VAL  79          1HG1      VAL  79  15.301 -18.510  21.565
  640   HG12  VAL  79          2HG1      VAL  79  13.620 -17.965  21.362
  641   HG13  VAL  79          3HG1      VAL  79  14.913 -17.217  20.401
  642   HG21  VAL  79          3HG2      VAL  79  15.146 -18.134  23.938
  643   HG22  VAL  79          1HG2      VAL  79  14.737 -16.537  24.605
  644   HG23  VAL  79          2HG2      VAL  79  13.483 -17.526  23.817
  645    H    ASN  80           H        ASN  80  17.613 -17.576  20.815
  646    HA   ASN  80           HA       ASN  80  18.592 -19.410  22.852
  647    HB2  ASN  80           2HB      ASN  80  19.171 -19.098  19.877
  648    HB3  ASN  80           3HB      ASN  80  19.865 -20.371  20.889
  649   HD21  ASN  80          2HD2      ASN  80  18.498 -21.279  18.800
  650   HD22  ASN  80          1HD2      ASN  80  16.933 -21.905  19.282
  651    H    THR  81           H        THR  81  19.760 -16.444  21.341
  652    HA   THR  81           HA       THR  81  22.520 -16.871  22.170
  653    HB   THR  81           HB       THR  81  21.035 -14.376  21.230
  654    HG1  THR  81           1HG      THR  81  21.170 -15.840  19.605
  655   HG21  THR  81          1HG2      THR  81  24.016 -14.940  21.558
  656   HG22  THR  81          2HG2      THR  81  23.313 -13.505  20.776
  657   HG23  THR  81          3HG2      THR  81  23.076 -13.777  22.514
  658    H    ALA  82           H        ALA  82  19.581 -15.457  23.577
  659    HA   ALA  82           HA       ALA  82  20.963 -14.041  25.689
  660    HB1  ALA  82           1HB      ALA  82  18.686 -13.839  26.629
  661    HB2  ALA  82           2HB      ALA  82  18.690 -13.471  24.885
  662    HB3  ALA  82           3HB      ALA  82  18.091 -15.042  25.470
  663    H    LYS  83           H        LYS  83  19.666 -17.340  25.293
  664    HA   LYS  83           HA       LYS  83  20.043 -18.010  28.097
  665    HB2  LYS  83           2HB      LYS  83  19.592 -19.697  25.602
  666    HB3  LYS  83           3HB      LYS  83  19.611 -20.333  27.262
  667    HG2  LYS  83           2HG      LYS  83  17.720 -18.906  27.887
  668    HG3  LYS  83           3HG      LYS  83  17.742 -18.126  26.296
  669    HD2  LYS  83           2HD      LYS  83  17.265 -20.314  25.223
  670    HD3  LYS  83           3HD      LYS  83  17.166 -21.064  26.837
  671    HE2  LYS  83           2HE      LYS  83  15.338 -19.508  27.436
  672    HE3  LYS  83           3HE      LYS  83  15.437 -18.763  25.835
  673    HZ1  LYS  83           3HZ      LYS  83  14.844 -20.885  24.877
  674    HZ2  LYS  83           1HZ      LYS  83  14.760 -21.585  26.357
  675    HZ3  LYS  83           2HZ      LYS  83  13.693 -20.403  25.950
  676    H    ASN  84           H        ASN  84  21.996 -18.137  25.141
  677    HA   ASN  84           HA       ASN  84  24.079 -19.756  26.370
  678    HB2  ASN  84           2HB      ASN  84  23.554 -19.678  23.906
  679    HB3  ASN  84           3HB      ASN  84  24.174 -18.021  23.878
  680   HD21  ASN  84          2HD2      ASN  84  25.812 -18.661  22.369
  681   HD22  ASN  84          1HD2      ASN  84  27.210 -19.583  22.894
  682    H    TYR  85           H        TYR  85  23.232 -16.347  26.202
  683    HA   TYR  85           HA       TYR  85  25.871 -15.314  26.766
  684    HB2  TYR  85           2HB      TYR  85  24.067 -14.069  25.621
  685    HB3  TYR  85           3HB      TYR  85  23.092 -14.128  27.093
  686    HD1  TYR  85           HD2      TYR  85  26.167 -12.739  25.548
  687    HD2  TYR  85           HD1      TYR  85  23.465 -12.585  28.890
  688    HE1  TYR  85           HE2      TYR  85  27.207 -10.608  26.280
  689    HE2  TYR  85           HE1      TYR  85  24.503 -10.459  29.634
  690    HH   TYR  85           HH       TYR  85  26.063  -8.834  29.175
  691    H    LEU  86           H        LEU  86  23.049 -16.308  28.717
  692    HA   LEU  86           HA       LEU  86  24.164 -15.214  31.170
  693    HB2  LEU  86           2HB      LEU  86  21.831 -17.067  30.578
  694    HB3  LEU  86           3HB      LEU  86  22.256 -16.516  32.210
  695    HG   LEU  86           HG       LEU  86  21.516 -14.682  29.894
  696   HD11  LEU  86          1HD1      LEU  86  19.474 -14.307  31.264
  697   HD12  LEU  86          2HD1      LEU  86  19.614 -16.001  30.747
  698   HD13  LEU  86          3HD1      LEU  86  20.022 -15.544  32.416
  699   HD21  LEU  86          3HD2      LEU  86  21.399 -12.954  31.696
  700   HD22  LEU  86          1HD2      LEU  86  22.097 -14.119  32.836
  701   HD23  LEU  86          2HD2      LEU  86  23.047 -13.549  31.440
  702    H    VAL  87           H        VAL  87  24.445 -18.353  29.503
  703    HA   VAL  87           HA       VAL  87  25.612 -19.525  31.940
  704    HB   VAL  87           HB       VAL  87  26.003 -21.510  30.553
  705   HG11  VAL  87          1HG1      VAL  87  23.178 -20.371  30.356
  706   HG12  VAL  87          2HG1      VAL  87  23.625 -22.090  30.262
  707   HG13  VAL  87          3HG1      VAL  87  23.880 -21.192  31.770
  708   HG21  VAL  87          3HG2      VAL  87  25.058 -21.626  28.276
  709   HG22  VAL  87          1HG2      VAL  87  24.679 -19.889  28.349
  710   HG23  VAL  87          2HG2      VAL  87  26.372 -20.438  28.373
  711    H    ALA  88           H        ALA  88  26.694 -17.695  29.182
  712    HA   ALA  88           HA       ALA  88  29.433 -18.634  29.305
  713    HB1  ALA  88           1HB      ALA  88  28.220 -16.113  28.097
  714    HB2  ALA  88           2HB      ALA  88  29.862 -16.727  27.791
  715    HB3  ALA  88           3HB      ALA  88  28.454 -17.664  27.255
  716    H    GLN  89           H        GLN  89  27.539 -16.573  31.287
  717    HA   GLN  89           HA       GLN  89  30.033 -15.529  32.555
  718    HB2  GLN  89           2HB      GLN  89  28.724 -13.640  33.341
  719    HB3  GLN  89           3HB      GLN  89  28.592 -13.786  31.576
  720    HG2  GLN  89           2HG      GLN  89  26.406 -14.994  31.903
  721    HG3  GLN  89           3HG      GLN  89  26.522 -14.647  33.642
  722   HE21  GLN  89          2HE2      GLN  89  26.164 -13.245  30.394
  723   HE22  GLN  89          1HE2      GLN  89  25.557 -11.691  30.927
  724    H    GLY  90           H        GLY  90  27.211 -17.534  32.925
  725    HA2  GLY  90           2HA      GLY  90  27.242 -17.464  35.841
  726    HA3  GLY  90           3HA      GLY  90  26.297 -18.542  34.791
  727    H    ARG  91           H        ARG  91  28.901 -19.209  33.291
  728    HA   ARG  91           HA       ARG  91  29.802 -21.350  35.093
  729    HB2  ARG  91           2HB      ARG  91  30.311 -20.741  32.164
  730    HB3  ARG  91           3HB      ARG  91  31.036 -22.108  33.036
  731    HG2  ARG  91           2HG      ARG  91  28.813 -22.999  33.574
  732    HG3  ARG  91           3HG      ARG  91  28.038 -21.613  32.786
  733    HD2  ARG  91           2HD      ARG  91  28.036 -23.532  31.270
  734    HD3  ARG  91           3HD      ARG  91  29.063 -22.244  30.631
  735    HE   ARG  91           HE       ARG  91  30.954 -23.570  30.934
  736   HH11  ARG  91          1HH1      ARG  91  28.158 -25.119  32.449
  737   HH12  ARG  91          2HH1      ARG  91  28.983 -26.644  32.676
  738   HH21  ARG  91          1HH2      ARG  91  31.997 -25.568  31.240
  739   HH22  ARG  91          2HH2      ARG  91  31.147 -26.895  31.994
  740    H    ARG  92           H        ARG  92  30.544 -18.228  35.009
  741    HA   ARG  92           HA       ARG  92  33.488 -18.502  35.063
  742    HB2  ARG  92           2HB      ARG  92  32.353 -16.631  33.876
  743    HB3  ARG  92           3HB      ARG  92  31.668 -16.090  35.417
  744    HG2  ARG  92           2HG      ARG  92  33.933 -15.659  36.298
  745    HG3  ARG  92           3HG      ARG  92  34.648 -16.333  34.819
  746    HD2  ARG  92           2HD      ARG  92  34.645 -13.885  34.726
  747    HD3  ARG  92           3HD      ARG  92  33.568 -14.553  33.485
  748    HE   ARG  92           HE       ARG  92  32.140 -13.977  35.929
  749   HH11  ARG  92          1HH1      ARG  92  33.505 -12.459  33.044
  750   HH12  ARG  92          2HH1      ARG  92  32.398 -11.105  33.091
  751   HH21  ARG  92          1HH2      ARG  92  30.706 -12.202  35.963
  752   HH22  ARG  92          2HH2      ARG  92  30.812 -10.970  34.728
  753    H    LEU  93           H        LEU  93  30.812 -18.717  37.185
  754    HA   LEU  93           HA       LEU  93  32.583 -18.327  39.556
  755    HB2  LEU  93           2HB      LEU  93  29.639 -17.617  39.254
  756    HB3  LEU  93           3HB      LEU  93  30.561 -17.519  40.760
  757    HG   LEU  93           HG       LEU  93  31.184 -15.931  38.233
  758   HD11  LEU  93          1HD1      LEU  93  29.897 -15.097  40.863
  759   HD12  LEU  93          2HD1      LEU  93  30.319 -14.017  39.514
  760   HD13  LEU  93          3HD1      LEU  93  29.064 -15.259  39.300
  761   HD21  LEU  93          3HD2      LEU  93  32.303 -15.762  41.066
  762   HD22  LEU  93          1HD2      LEU  93  33.191 -16.323  39.629
  763   HD23  LEU  93          2HD2      LEU  93  32.668 -14.636  39.736
  764    H    GLU  94           H        GLU  94  31.153 -20.623  37.731
  765    HA   GLU  94           HA       GLU  94  30.790 -22.432  40.053
  766    HB2  GLU  94           2HB      GLU  94  28.924 -22.135  37.664
  767    HB3  GLU  94           3HB      GLU  94  28.874 -23.480  38.807
  768    HG2  GLU  94           2HG      GLU  94  28.457 -20.548  39.529
  769    HG3  GLU  94           3HG      GLU  94  27.173 -21.738  39.294
  770    H    LEU  95           H        LEU  95  31.352 -24.559  39.621
  771    HA   LEU  95           HA       LEU  95  32.727 -26.144  38.839
  772    HB2  LEU  95           2HB      LEU  95  30.822 -26.228  37.233
  773    HB3  LEU  95           3HB      LEU  95  31.759 -25.249  36.104
  774    HG   LEU  95           HG       LEU  95  33.437 -27.033  35.889
  775   HD11  LEU  95          1HD1      LEU  95  31.680 -28.538  37.880
  776   HD12  LEU  95          2HD1      LEU  95  33.013 -29.251  36.945
  777   HD13  LEU  95          3HD1      LEU  95  33.358 -28.004  38.156
  778   HD21  LEU  95          3HD2      LEU  95  30.584 -28.059  35.660
  779   HD22  LEU  95          1HD2      LEU  95  31.432 -27.056  34.459
  780   HD23  LEU  95          2HD2      LEU  95  32.003 -28.703  34.806
  781    H    VAL  96           H        VAL  96  33.634 -23.108  38.758
  782    HA   VAL  96           HA       VAL  96  36.334 -23.721  37.708
  783    HB   VAL  96           HB       VAL  96  34.704 -21.239  37.027
  784   HG11  VAL  96          1HG1      VAL  96  37.547 -22.004  36.232
  785   HG12  VAL  96          2HG1      VAL  96  36.650 -20.582  35.666
  786   HG13  VAL  96          3HG1      VAL  96  37.105 -20.712  37.375
  787   HG21  VAL  96          3HG2      VAL  96  35.772 -23.485  35.266
  788   HG22  VAL  96          1HG2      VAL  96  34.059 -23.166  35.640
  789   HG23  VAL  96          2HG2      VAL  96  34.984 -21.999  34.686
  790    HA   PRO  97           HA       PRO  97  37.140 -21.922  41.704
  791    HB2  PRO  97           2HB      PRO  97  39.847 -21.630  41.576
  792    HB3  PRO  97           3HB      PRO  97  39.050 -23.240  41.667
  793    HG2  PRO  97           2HG      PRO  97  40.009 -21.784  39.181
  794    HG3  PRO  97           3HG      PRO  97  40.361 -23.477  39.676
  795    HD2  PRO  97           2HD      PRO  97  38.363 -22.908  37.933
  796    HD3  PRO  97           3HD      PRO  97  38.154 -24.175  39.180
  797    H    ARG  98           H        ARG  98  38.040 -19.945  42.690
  798    HA   ARG  98           HA       ARG  98  38.523 -17.674  40.865
  799    HB2  ARG  98           2HB      ARG  98  36.770 -16.324  41.910
  800    HB3  ARG  98           3HB      ARG  98  36.081 -17.746  41.110
  801    HG2  ARG  98           2HG      ARG  98  35.958 -18.921  43.296
  802    HG3  ARG  98           3HG      ARG  98  36.611 -17.482  44.106
  803    HD2  ARG  98           2HD      ARG  98  34.038 -17.575  42.484
  804    HD3  ARG  98           3HD      ARG  98  34.137 -17.643  44.256
  805    HE   ARG  98           HE       ARG  98  35.506 -15.325  43.228
  806   HH11  ARG  98          1HH1      ARG  98  32.290 -16.618  43.925
  807   HH12  ARG  98          2HH1      ARG  98  31.578 -15.037  44.158
  808   HH21  ARG  98          1HH2      ARG  98  34.555 -13.277  43.556
  809   HH22  ARG  98          2HH2      ARG  98  32.855 -13.152  43.944
  810    H    GLY  99           H        GLY  99  39.092 -15.674  42.131
  811    HA2  GLY  99           2HA      GLY  99  39.864 -15.827  44.881
  812    HA3  GLY  99           3HA      GLY  99  41.260 -16.153  43.839
  813    H    SER 100           H        SER 100  41.831 -14.070  45.148
  814    HA   SER 100           HA       SER 100  41.398 -11.781  43.334
  815    HB2  SER 100           2HB      SER 100  39.624 -11.621  45.061
  816    HB3  SER 100           3HB      SER 100  40.866 -11.657  46.330
  817    HG   SER 100           HG       SER 100  40.223  -9.526  45.741
  818    H    HIS 101           H        HIS 101  42.950 -10.049  43.699
  819    HA   HIS 101           HA       HIS 101  45.277 -10.633  45.400
  820    HB2  HIS 101           2HB      HIS 101  45.643 -11.875  43.258
  821    HB3  HIS 101           3HB      HIS 101  45.498 -10.349  42.380
  822    HD2  HIS 101           HD2      HIS 101  47.954 -10.063  41.513
  823    HE1  HIS 101           HE1      HIS 101  50.019 -10.348  45.220
  824    HE2  HIS 101           HE2      HIS 101  50.261  -9.846  42.737
  825    H    HIS 102           H        HIS 102  46.836  -8.755  45.346
  826    HA   HIS 102           HA       HIS 102  45.264  -6.294  45.381
  827    HB2  HIS 102           2HB      HIS 102  47.208  -5.313  46.452
  828    HB3  HIS 102           3HB      HIS 102  46.766  -6.833  47.225
  829    HD2  HIS 102           HD2      HIS 102  48.776  -8.341  47.763
  830    HE1  HIS 102           HE1      HIS 102  51.507  -7.059  44.764
  831    HE2  HIS 102           HE2      HIS 102  51.189  -8.591  46.777
  832    H    HIS 103           H        HIS 103  46.730  -7.867  42.901
  833    HA   HIS 103           HA       HIS 103  47.015  -5.361  41.358
  834    HB2  HIS 103           2HB      HIS 103  49.281  -5.922  42.154
  835    HB3  HIS 103           3HB      HIS 103  49.119  -7.550  41.484
  836    HD2  HIS 103           HD2      HIS 103  50.383  -7.771  39.264
  837    HE1  HIS 103           HE1      HIS 103  49.818  -3.868  37.668
  838    HE2  HIS 103           HE2      HIS 103  50.854  -6.158  37.253
  839    H    HIS 104           H        HIS 104  46.830  -5.718  39.045
  840    HA   HIS 104           HA       HIS 104  46.007  -8.380  38.127
  841    HB2  HIS 104           2HB      HIS 104  43.959  -7.392  39.145
  842    HB3  HIS 104           3HB      HIS 104  44.112  -6.005  38.056
  843    HD2  HIS 104           HD2      HIS 104  42.095  -6.307  36.444
  844    HE1  HIS 104           HE1      HIS 104  42.722 -10.351  35.278
  845    HE2  HIS 104           HE2      HIS 104  41.320  -8.260  34.879
  846    H    HIS 105           H        HIS 105  45.560  -8.367  35.760
  847    HA   HIS 105           HA       HIS 105  47.604  -6.831  34.392
  848    HB2  HIS 105           2HB      HIS 105  45.488  -8.746  33.351
  849    HB3  HIS 105           3HB      HIS 105  46.868  -8.128  32.434
  850    HD2  HIS 105           HD2      HIS 105  45.880 -10.875  34.819
  851    HE1  HIS 105           HE1      HIS 105  50.112 -11.137  34.501
  852    HE2  HIS 105           HE2      HIS 105  48.010 -12.303  35.346
  853    H    HIS 106           H        HIS 106  47.091  -5.744  32.260
  854    HA   HIS 106           HA       HIS 106  45.158  -3.644  32.728
  855    HB2  HIS 106           2HB      HIS 106  45.995  -2.763  30.594
  856    HB3  HIS 106           3HB      HIS 106  47.314  -3.186  31.685
  857    HD2  HIS 106           HD2      HIS 106  45.939  -3.924  28.244
  858    HE1  HIS 106           HE1      HIS 106  49.136  -6.677  28.785
  859    HE2  HIS 106           HE2      HIS 106  47.495  -5.695  27.098
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -3.085  -6.286  -1.827
    2    H2   MET   1           H2       MET   1  -2.979  -4.741  -1.257
    3    H3   MET   1           H3       MET   1  -2.180  -5.957  -0.488
    4    HA   MET   1           HA       MET   1  -0.765  -6.312  -2.361
    5    HB2  MET   1           2HB      MET   1  -2.275  -3.931  -3.515
    6    HB3  MET   1           3HB      MET   1  -0.805  -4.638  -4.203
    7    HG2  MET   1           2HG      MET   1  -1.961  -6.811  -4.454
    8    HG3  MET   1           3HG      MET   1  -3.439  -6.100  -3.800
    9    HE1  MET   1           1HE      MET   1  -0.805  -4.533  -6.375
   10    HE2  MET   1           2HE      MET   1  -0.917  -6.268  -6.763
   11    HE3  MET   1           3HE      MET   1  -1.544  -5.055  -7.901
   12    H    SER   2           H        SER   2   1.160  -4.896  -2.834
   13    HA   SER   2           HA       SER   2   1.433  -2.550  -1.066
   14    HB2  SER   2           2HB      SER   2   3.479  -3.480  -0.036
   15    HB3  SER   2           3HB      SER   2   2.047  -4.446   0.370
   16    HG   SER   2           HG       SER   2   3.815  -5.745  -0.282
   17    H    GLU   3           H        GLU   3   3.613  -1.519  -1.395
   18    HA   GLU   3           HA       GLU   3   4.662  -1.960  -4.139
   19    HB2  GLU   3           2HB      GLU   3   3.784   0.703  -2.958
   20    HB3  GLU   3           3HB      GLU   3   4.647   0.497  -4.495
   21    HG2  GLU   3           2HG      GLU   3   2.778  -0.917  -5.333
   22    HG3  GLU   3           3HG      GLU   3   1.892  -0.606  -3.826
   23    H    GLN   4           H        GLN   4   5.579  -2.444  -1.239
   24    HA   GLN   4           HA       GLN   4   8.214  -1.080  -1.536
   25    HB2  GLN   4           2HB      GLN   4   6.738  -1.538   1.074
   26    HB3  GLN   4           3HB      GLN   4   8.318  -0.760   0.866
   27    HG2  GLN   4           2HG      GLN   4   7.260   1.040  -0.479
   28    HG3  GLN   4           3HG      GLN   4   5.672   0.302  -0.217
   29   HE21  GLN   4          2HE2      GLN   4   5.620   2.764   0.585
   30   HE22  GLN   4          1HE2      GLN   4   5.828   2.942   2.313
   31    H    LEU   5           H        LEU   5   9.780  -2.163   0.155
   32    HA   LEU   5           HA       LEU   5   9.841  -4.999  -0.643
   33    HB2  LEU   5           2HB      LEU   5  11.951  -3.315   0.740
   34    HB3  LEU   5           3HB      LEU   5  12.180  -4.869  -0.085
   35    HG   LEU   5           HG       LEU   5  11.385  -2.224  -1.366
   36   HD11  LEU   5          1HD1      LEU   5  13.767  -2.409  -0.683
   37   HD12  LEU   5          2HD1      LEU   5  13.893  -3.945  -1.571
   38   HD13  LEU   5          3HD1      LEU   5  13.606  -2.433  -2.456
   39   HD21  LEU   5          3HD2      LEU   5  11.906  -4.931  -2.676
   40   HD22  LEU   5          1HD2      LEU   5  10.321  -4.119  -2.560
   41   HD23  LEU   5          2HD2      LEU   5  11.621  -3.397  -3.524
   42    H    THR   6           H        THR   6  10.387  -6.672   0.818
   43    HA   THR   6           HA       THR   6   9.680  -6.225   3.675
   44    HB   THR   6           HB       THR   6   8.431  -8.337   1.871
   45    HG1  THR   6           1HG      THR   6   7.619  -6.285   1.422
   46   HG21  THR   6          1HG2      THR   6   6.831  -8.507   3.843
   47   HG22  THR   6          2HG2      THR   6   8.452  -9.165   4.116
   48   HG23  THR   6          3HG2      THR   6   8.024  -7.566   4.779
   49    H    ASP   7           H        ASP   7  10.051  -8.463   4.851
   50    HA   ASP   7           HA       ASP   7  12.787  -9.056   4.710
   51    HB2  ASP   7           2HB      ASP   7  12.234 -10.913   6.229
   52    HB3  ASP   7           3HB      ASP   7  11.372  -9.430   6.665
   53    H    GLN   8           H        GLN   8  10.244 -10.235   2.654
   54    HA   GLN   8           HA       GLN   8  11.400 -12.756   1.939
   55    HB2  GLN   8           2HB      GLN   8   9.071 -12.186   1.451
   56    HB3  GLN   8           3HB      GLN   8   9.587 -10.816   0.455
   57    HG2  GLN   8           2HG      GLN   8   8.943 -12.701  -0.966
   58    HG3  GLN   8           3HG      GLN   8  10.662 -12.359  -1.150
   59   HE21  GLN   8          2HE2      GLN   8  12.229 -13.792  -0.141
   60   HE22  GLN   8          1HE2      GLN   8  11.780 -15.442   0.247
   61    H    VAL   9           H        VAL   9  11.557  -9.497   0.400
   62    HA   VAL   9           HA       VAL   9  13.560 -10.462  -1.512
   63    HB   VAL   9           HB       VAL   9  11.848  -9.019  -2.363
   64   HG11  VAL   9          1HG1      VAL   9  11.492  -6.729  -1.538
   65   HG12  VAL   9          2HG1      VAL   9  11.125  -7.940  -0.303
   66   HG13  VAL   9          3HG1      VAL   9  12.656  -7.029  -0.220
   67   HG21  VAL   9          3HG2      VAL   9  14.337  -7.294  -2.054
   68   HG22  VAL   9          1HG2      VAL   9  14.165  -8.614  -3.235
   69   HG23  VAL   9          2HG2      VAL   9  13.114  -7.188  -3.332
   70    H    LEU  10           H        LEU  10  13.484  -8.692   1.544
   71    HA   LEU  10           HA       LEU  10  16.114  -7.542   1.258
   72    HB2  LEU  10           2HB      LEU  10  14.056  -7.885   3.403
   73    HB3  LEU  10           3HB      LEU  10  15.743  -7.679   3.927
   74    HG   LEU  10           HG       LEU  10  15.969  -5.611   2.717
   75   HD11  LEU  10          1HD1      LEU  10  13.085  -5.998   1.833
   76   HD12  LEU  10          2HD1      LEU  10  14.063  -4.532   1.594
   77   HD13  LEU  10          3HD1      LEU  10  14.532  -6.032   0.783
   78   HD21  LEU  10          3HD2      LEU  10  15.027  -5.529   4.989
   79   HD22  LEU  10          1HD2      LEU  10  14.320  -4.248   3.981
   80   HD23  LEU  10          2HD2      LEU  10  13.387  -5.727   4.326
   81    H    VAL  11           H        VAL  11  14.919 -10.756   2.286
   82    HA   VAL  11           HA       VAL  11  17.575 -11.453   3.318
   83    HB   VAL  11           HB       VAL  11  15.050 -13.074   2.877
   84   HG11  VAL  11          1HG1      VAL  11  17.781 -13.901   3.954
   85   HG12  VAL  11          2HG1      VAL  11  16.283 -14.837   4.172
   86   HG13  VAL  11          3HG1      VAL  11  16.938 -14.581   2.543
   87   HG21  VAL  11          3HG2      VAL  11  16.588 -12.220   5.376
   88   HG22  VAL  11          1HG2      VAL  11  15.103 -11.435   4.793
   89   HG23  VAL  11          2HG2      VAL  11  15.051 -13.120   5.338
   90    H    GLU  12           H        GLU  12  15.769 -11.711   0.250
   91    HA   GLU  12           HA       GLU  12  17.646 -13.568  -0.942
   92    HB2  GLU  12           2HB      GLU  12  15.694 -11.551  -2.108
   93    HB3  GLU  12           3HB      GLU  12  16.681 -12.632  -3.095
   94    HG2  GLU  12           2HG      GLU  12  15.706 -14.599  -1.952
   95    HG3  GLU  12           3HG      GLU  12  14.686 -13.535  -0.979
   96    H    ARG  13           H        ARG  13  17.442  -9.994  -0.727
   97    HA   ARG  13           HA       ARG  13  19.543  -9.498  -2.609
   98    HB2  ARG  13           2HB      ARG  13  17.760  -7.913  -2.061
   99    HB3  ARG  13           3HB      ARG  13  18.340  -7.784  -0.395
  100    HG2  ARG  13           2HG      ARG  13  20.407  -6.759  -1.120
  101    HG3  ARG  13           3HG      ARG  13  20.036  -7.074  -2.831
  102    HD2  ARG  13           2HD      ARG  13  18.377  -5.315  -0.979
  103    HD3  ARG  13           3HD      ARG  13  19.585  -4.712  -2.129
  104    HE   ARG  13           HE       ARG  13  17.871  -6.285  -3.652
  105   HH11  ARG  13          1HH1      ARG  13  17.567  -3.428  -1.598
  106   HH12  ARG  13          2HH1      ARG  13  16.197  -2.792  -2.481
  107   HH21  ARG  13          1HH2      ARG  13  16.091  -5.431  -4.795
  108   HH22  ARG  13          2HH2      ARG  13  15.374  -3.918  -4.296
  109    H    VAL  14           H        VAL  14  19.577  -9.889   0.982
  110    HA   VAL  14           HA       VAL  14  22.364  -9.141   1.162
  111    HB   VAL  14           HB       VAL  14  22.272 -10.131   3.403
  112   HG11  VAL  14          1HG1      VAL  14  21.474  -7.874   3.127
  113   HG12  VAL  14          2HG1      VAL  14  19.875  -8.438   2.595
  114   HG13  VAL  14          3HG1      VAL  14  20.387  -8.718   4.267
  115   HG21  VAL  14          3HG2      VAL  14  19.478 -11.005   2.597
  116   HG22  VAL  14          1HG2      VAL  14  20.841 -12.079   3.016
  117   HG23  VAL  14          2HG2      VAL  14  20.134 -11.009   4.253
  118    H    GLN  15           H        GLN  15  20.667 -12.075   0.220
  119    HA   GLN  15           HA       GLN  15  23.062 -13.739   0.418
  120    HB2  GLN  15           2HB      GLN  15  20.335 -14.166  -0.847
  121    HB3  GLN  15           3HB      GLN  15  21.627 -15.383  -0.821
  122    HG2  GLN  15           2HG      GLN  15  21.644 -15.383   1.634
  123    HG3  GLN  15           3HG      GLN  15  20.457 -14.098   1.687
  124   HE21  GLN  15          2HE2      GLN  15  19.847 -16.382   3.058
  125   HE22  GLN  15          1HE2      GLN  15  18.599 -17.277   2.221
  126    H    LYS  16           H        LYS  16  21.823 -11.399  -1.850
  127    HA   LYS  16           HA       LYS  16  23.383 -12.431  -4.095
  128    HB2  LYS  16           2HB      LYS  16  22.161  -9.673  -3.644
  129    HB3  LYS  16           3HB      LYS  16  22.807 -10.289  -5.162
  130    HG2  LYS  16           2HG      LYS  16  20.327 -11.255  -3.725
  131    HG3  LYS  16           3HG      LYS  16  20.432 -10.413  -5.269
  132    HD2  LYS  16           2HD      LYS  16  21.584 -12.373  -6.268
  133    HD3  LYS  16           3HD      LYS  16  21.500 -13.218  -4.700
  134    HE2  LYS  16           2HE      LYS  16  19.034 -13.047  -4.741
  135    HE3  LYS  16           3HE      LYS  16  19.115 -12.213  -6.302
  136    HZ1  LYS  16           3HZ      LYS  16  20.065 -14.950  -5.779
  137    HZ2  LYS  16           1HZ      LYS  16  18.680 -14.557  -6.567
  138    HZ3  LYS  16           2HZ      LYS  16  20.134 -14.176  -7.229
  139    H    GLY  17           H        GLY  17  24.178 -10.981  -1.178
  140    HA2  GLY  17           2HA      GLY  17  26.453 -10.643  -0.571
  141    HA3  GLY  17           3HA      GLY  17  26.828 -10.146  -2.233
  142    H    ASP  18           H        ASP  18  23.893  -8.708  -1.350
  143    HA   ASP  18           HA       ASP  18  25.218  -6.118  -0.891
  144    HB2  ASP  18           2HB      ASP  18  22.435  -7.051  -1.603
  145    HB3  ASP  18           3HB      ASP  18  22.707  -5.405  -1.054
  146    H    GLN  19           H        GLN  19  26.045  -6.544   1.234
  147    HA   GLN  19           HA       GLN  19  24.403  -7.410   3.391
  148    HB2  GLN  19           2HB      GLN  19  26.856  -7.563   3.255
  149    HB3  GLN  19           3HB      GLN  19  27.003  -5.812   3.379
  150    HG2  GLN  19           2HG      GLN  19  25.535  -7.424   5.488
  151    HG3  GLN  19           3HG      GLN  19  27.295  -7.314   5.511
  152   HE21  GLN  19          2HE2      GLN  19  25.938  -6.405   7.690
  153   HE22  GLN  19          1HE2      GLN  19  26.024  -4.655   7.762
  154    H    LYS  20           H        LYS  20  24.685  -4.342   1.767
  155    HA   LYS  20           HA       LYS  20  23.917  -2.564   3.845
  156    HB2  LYS  20           2HB      LYS  20  23.261  -1.093   2.007
  157    HB3  LYS  20           3HB      LYS  20  24.784  -1.909   1.609
  158    HG2  LYS  20           2HG      LYS  20  23.477  -3.598   0.279
  159    HG3  LYS  20           3HG      LYS  20  22.003  -2.655   0.602
  160    HD2  LYS  20           2HD      LYS  20  23.071  -0.680  -0.495
  161    HD3  LYS  20           3HD      LYS  20  24.495  -1.686  -0.850
  162    HE2  LYS  20           2HE      LYS  20  23.030  -3.261  -2.109
  163    HE3  LYS  20           3HE      LYS  20  21.649  -2.188  -1.811
  164    HZ1  LYS  20           3HZ      LYS  20  24.085  -1.461  -3.293
  165    HZ2  LYS  20           1HZ      LYS  20  22.618  -1.789  -3.953
  166    HZ3  LYS  20           2HZ      LYS  20  22.814  -0.459  -3.004
  167    H    ALA  21           H        ALA  21  22.066  -4.983   2.065
  168    HA   ALA  21           HA       ALA  21  19.512  -3.782   2.824
  169    HB1  ALA  21           1HB      ALA  21  18.562  -5.788   1.746
  170    HB2  ALA  21           2HB      ALA  21  19.754  -4.986   0.698
  171    HB3  ALA  21           3HB      ALA  21  20.201  -6.467   1.566
  172    H    PHE  22           H        PHE  22  21.839  -5.943   4.295
  173    HA   PHE  22           HA       PHE  22  19.884  -7.220   6.040
  174    HB2  PHE  22           2HB      PHE  22  22.057  -8.285   5.467
  175    HB3  PHE  22           3HB      PHE  22  22.902  -6.980   6.301
  176    HD1  PHE  22           HD1      PHE  22  20.128  -9.458   6.890
  177    HD2  PHE  22           HD2      PHE  22  23.482  -7.336   8.556
  178    HE1  PHE  22           HE1      PHE  22  19.856 -10.696   9.004
  179    HE2  PHE  22           HE2      PHE  22  23.185  -8.566  10.693
  180    HZ   PHE  22           HZ       PHE  22  21.383 -10.242  10.923
  181    H    ASN  23           H        ASN  23  22.095  -4.416   6.136
  182    HA   ASN  23           HA       ASN  23  21.747  -3.743   8.885
  183    HB2  ASN  23           2HB      ASN  23  23.513  -2.742   7.611
  184    HB3  ASN  23           3HB      ASN  23  22.397  -2.217   6.348
  185   HD21  ASN  23          2HD2      ASN  23  21.351  -0.283   6.488
  186   HD22  ASN  23          1HD2      ASN  23  21.538   0.832   7.825
  187    H    LEU  24           H        LEU  24  19.917  -2.881   5.933
  188    HA   LEU  24           HA       LEU  24  18.018  -1.256   7.401
  189    HB2  LEU  24           2HB      LEU  24  17.903  -2.447   4.604
  190    HB3  LEU  24           3HB      LEU  24  16.805  -1.217   5.261
  191    HG   LEU  24           HG       LEU  24  19.821  -0.835   5.014
  192   HD11  LEU  24          1HD1      LEU  24  17.556   0.099   3.208
  193   HD12  LEU  24          2HD1      LEU  24  19.269   0.574   3.069
  194   HD13  LEU  24          3HD1      LEU  24  18.793  -1.120   2.810
  195   HD21  LEU  24          3HD2      LEU  24  18.780   0.604   6.720
  196   HD22  LEU  24          1HD2      LEU  24  19.222   1.563   5.291
  197   HD23  LEU  24          2HD2      LEU  24  17.529   1.096   5.556
  198    H    LEU  25           H        LEU  25  18.351  -4.679   6.826
  199    HA   LEU  25           HA       LEU  25  15.503  -5.244   7.234
  200    HB2  LEU  25           2HB      LEU  25  16.864  -6.678   5.786
  201    HB3  LEU  25           3HB      LEU  25  17.990  -6.997   7.112
  202    HG   LEU  25           HG       LEU  25  16.197  -8.154   8.373
  203   HD11  LEU  25          1HD1      LEU  25  14.091  -8.731   7.217
  204   HD12  LEU  25          2HD1      LEU  25  14.226  -6.976   7.447
  205   HD13  LEU  25          3HD1      LEU  25  14.554  -7.697   5.849
  206   HD21  LEU  25          3HD2      LEU  25  16.607  -9.110   5.508
  207   HD22  LEU  25          1HD2      LEU  25  17.696  -9.407   6.880
  208   HD23  LEU  25          2HD2      LEU  25  16.068 -10.120   6.873
  209    H    VAL  26           H        VAL  26  18.531  -5.351   9.230
  210    HA   VAL  26           HA       VAL  26  17.094  -6.628  11.377
  211    HB   VAL  26           HB       VAL  26  18.998  -6.215  12.773
  212   HG11  VAL  26          1HG1      VAL  26  20.724  -7.357  11.486
  213   HG12  VAL  26          2HG1      VAL  26  19.127  -8.058  11.148
  214   HG13  VAL  26          3HG1      VAL  26  19.891  -6.970   9.969
  215   HG21  VAL  26          3HG2      VAL  26  19.541  -3.924  12.158
  216   HG22  VAL  26          1HG2      VAL  26  20.964  -4.966  11.982
  217   HG23  VAL  26          2HG2      VAL  26  20.058  -4.462  10.532
  218    H    VAL  27           H        VAL  27  17.436  -3.202  10.433
  219    HA   VAL  27           HA       VAL  27  16.814  -2.188  13.050
  220    HB   VAL  27           HB       VAL  27  16.172  -0.102  11.855
  221   HG11  VAL  27          1HG1      VAL  27  18.765  -1.410  10.957
  222   HG12  VAL  27          2HG1      VAL  27  18.410   0.327  10.882
  223   HG13  VAL  27          3HG1      VAL  27  18.504  -0.490  12.465
  224   HG21  VAL  27          3HG2      VAL  27  16.524   0.057   9.437
  225   HG22  VAL  27          1HG2      VAL  27  16.880  -1.684   9.358
  226   HG23  VAL  27          2HG2      VAL  27  15.244  -1.125   9.789
  227    H    ARG  28           H        ARG  28  14.797  -3.547  10.479
  228    HA   ARG  28           HA       ARG  28  12.303  -2.485  11.491
  229    HB2  ARG  28           2HB      ARG  28  12.706  -5.075   9.938
  230    HB3  ARG  28           3HB      ARG  28  11.268  -4.044   9.995
  231    HG2  ARG  28           2HG      ARG  28  12.631  -2.233   8.845
  232    HG3  ARG  28           3HG      ARG  28  13.968  -3.400   8.746
  233    HD2  ARG  28           2HD      ARG  28  12.840  -3.440   6.636
  234    HD3  ARG  28           3HD      ARG  28  12.510  -4.960   7.475
  235    HE   ARG  28           HE       ARG  28  10.357  -3.452   8.198
  236   HH11  ARG  28          1HH1      ARG  28  11.840  -4.064   5.039
  237   HH12  ARG  28          2HH1      ARG  28  10.334  -3.869   4.170
  238   HH21  ARG  28          1HH2      ARG  28   8.417  -3.219   7.031
  239   HH22  ARG  28          2HH2      ARG  28   8.409  -3.408   5.293
  240    H    TYR  29           H        TYR  29  14.343  -5.261  12.179
  241    HA   TYR  29           HA       TYR  29  12.321  -6.359  14.040
  242    HB2  TYR  29           2HB      TYR  29  14.837  -7.484  12.789
  243    HB3  TYR  29           3HB      TYR  29  13.920  -8.315  14.054
  244    HD1  TYR  29           HD1      TYR  29  13.696  -6.960  10.588
  245    HD2  TYR  29           HD2      TYR  29  11.914  -9.469  13.584
  246    HE1  TYR  29           HE1      TYR  29  12.081  -7.783   8.906
  247    HE2  TYR  29           HE2      TYR  29  10.308 -10.334  11.911
  248    HH   TYR  29           HH       TYR  29  10.294  -9.200   8.501
  249    H    GLN  30           H        GLN  30  14.982  -4.267  14.155
  250    HA   GLN  30           HA       GLN  30  16.366  -5.171  16.467
  251    HB2  GLN  30           2HB      GLN  30  17.139  -3.505  14.790
  252    HB3  GLN  30           3HB      GLN  30  15.960  -2.342  15.413
  253    HG2  GLN  30           2HG      GLN  30  17.113  -2.356  17.595
  254    HG3  GLN  30           3HG      GLN  30  18.231  -3.606  17.000
  255   HE21  GLN  30          2HE2      GLN  30  19.189  -2.955  14.691
  256   HE22  GLN  30          1HE2      GLN  30  19.820  -1.322  14.590
  257    H    HIS  31           H        HIS  31  13.341  -3.376  16.052
  258    HA   HIS  31           HA       HIS  31  13.135  -2.835  18.942
  259    HB2  HIS  31           2HB      HIS  31  12.279  -1.250  17.239
  260    HB3  HIS  31           3HB      HIS  31  11.154  -2.491  16.663
  261    HD2  HIS  31           HD2      HIS  31  11.920  -0.566  19.983
  262    HE1  HIS  31           HE1      HIS  31   7.748  -1.403  19.899
  263    HE2  HIS  31           HE2      HIS  31   9.618  -0.252  21.194
  264    H    LYS  32           H        LYS  32  12.082  -5.257  16.584
  265    HA   LYS  32           HA       LYS  32   9.980  -6.320  18.285
  266    HB2  LYS  32           2HB      LYS  32  11.333  -7.487  15.824
  267    HB3  LYS  32           3HB      LYS  32   9.824  -8.065  16.562
  268    HG2  LYS  32           2HG      LYS  32   8.764  -5.867  16.133
  269    HG3  LYS  32           3HG      LYS  32  10.260  -5.297  15.360
  270    HD2  LYS  32           2HD      LYS  32  10.081  -7.126  13.685
  271    HD3  LYS  32           3HD      LYS  32   8.569  -7.664  14.452
  272    HE2  LYS  32           2HE      LYS  32   7.556  -5.458  13.996
  273    HE3  LYS  32           3HE      LYS  32   9.071  -4.913  13.248
  274    HZ1  LYS  32           3HZ      LYS  32   7.388  -7.139  12.298
  275    HZ2  LYS  32           1HZ      LYS  32   7.484  -5.652  11.605
  276    HZ3  LYS  32           2HZ      LYS  32   8.794  -6.640  11.597
  277    H    VAL  33           H        VAL  33  13.372  -7.315  17.525
  278    HA   VAL  33           HA       VAL  33  13.057  -9.694  19.181
  279    HB   VAL  33           HB       VAL  33  15.316 -10.209  18.670
  280   HG11  VAL  33          1HG1      VAL  33  15.252 -10.257  16.225
  281   HG12  VAL  33          2HG1      VAL  33  13.648 -10.613  16.905
  282   HG13  VAL  33          3HG1      VAL  33  13.979  -9.014  16.209
  283   HG21  VAL  33          3HG2      VAL  33  16.773  -8.737  17.342
  284   HG22  VAL  33          1HG2      VAL  33  15.585  -7.419  17.492
  285   HG23  VAL  33          2HG2      VAL  33  16.398  -8.059  18.939
  286    H    ALA  34           H        ALA  34  14.197  -6.372  19.637
  287    HA   ALA  34           HA       ALA  34  15.607  -6.925  22.086
  288    HB1  ALA  34           1HB      ALA  34  14.330  -4.355  21.072
  289    HB2  ALA  34           2HB      ALA  34  15.504  -4.493  22.406
  290    HB3  ALA  34           3HB      ALA  34  15.996  -4.892  20.750
  291    H    SER  35           H        SER  35  12.228  -6.629  21.218
  292    HA   SER  35           HA       SER  35  11.307  -5.970  23.899
  293    HB2  SER  35           2HB      SER  35  10.084  -5.392  21.800
  294    HB3  SER  35           3HB      SER  35   9.802  -7.122  21.518
  295    HG   SER  35           HG       SER  35   8.056  -6.077  22.614
  296    H    LEU  36           H        LEU  36  11.592  -8.939  21.900
  297    HA   LEU  36           HA       LEU  36  10.408 -10.545  24.026
  298    HB2  LEU  36           2HB      LEU  36  10.627 -12.394  22.521
  299    HB3  LEU  36           3HB      LEU  36   9.987 -10.994  21.658
  300    HG   LEU  36           HG       LEU  36  12.478 -10.585  20.949
  301   HD11  LEU  36          1HD1      LEU  36  13.742 -12.684  20.625
  302   HD12  LEU  36          2HD1      LEU  36  13.536 -12.364  22.351
  303   HD13  LEU  36          3HD1      LEU  36  12.517 -13.579  21.549
  304   HD21  LEU  36          3HD2      LEU  36  10.834 -12.919  19.884
  305   HD22  LEU  36          1HD2      LEU  36  10.628 -11.206  19.439
  306   HD23  LEU  36          2HD2      LEU  36  12.120 -12.071  19.001
  307    H    VAL  37           H        VAL  37  13.666  -9.590  23.112
  308    HA   VAL  37           HA       VAL  37  14.793 -11.811  24.662
  309    HB   VAL  37           HB       VAL  37  15.720 -10.940  22.460
  310   HG11  VAL  37          1HG1      VAL  37  15.728  -8.495  23.308
  311   HG12  VAL  37          2HG1      VAL  37  17.186  -8.973  24.218
  312   HG13  VAL  37          3HG1      VAL  37  17.179  -9.095  22.451
  313   HG21  VAL  37          3HG2      VAL  37  18.003 -11.463  23.125
  314   HG22  VAL  37          1HG2      VAL  37  17.613 -11.163  24.829
  315   HG23  VAL  37          2HG2      VAL  37  16.862 -12.539  23.977
  316    H    SER  38           H        SER  38  13.840  -8.500  25.216
  317    HA   SER  38           HA       SER  38  15.492  -8.024  27.510
  318    HB2  SER  38           2HB      SER  38  14.265  -6.260  26.283
  319    HB3  SER  38           3HB      SER  38  12.724  -6.954  26.819
  320    HG   SER  38           HG       SER  38  13.451  -5.230  28.145
  321    H    ARG  39           H        ARG  39  12.998 -10.269  26.904
  322    HA   ARG  39           HA       ARG  39  12.101 -10.510  29.687
  323    HB2  ARG  39           2HB      ARG  39  11.571 -12.171  27.201
  324    HB3  ARG  39           3HB      ARG  39  10.774 -12.402  28.762
  325    HG2  ARG  39           2HG      ARG  39   9.736 -10.210  28.648
  326    HG3  ARG  39           3HG      ARG  39  10.650  -9.802  27.178
  327    HD2  ARG  39           2HD      ARG  39   8.330 -10.467  26.654
  328    HD3  ARG  39           3HD      ARG  39   9.514 -11.557  25.924
  329    HE   ARG  39           HE       ARG  39   7.738 -12.145  28.242
  330   HH11  ARG  39          1HH1      ARG  39  10.092 -13.279  25.856
  331   HH12  ARG  39          2HH1      ARG  39   9.775 -14.967  26.172
  332   HH21  ARG  39          1HH2      ARG  39   7.335 -14.363  28.624
  333   HH22  ARG  39          2HH2      ARG  39   8.226 -15.577  27.733
  334    H    TYR  40           H        TYR  40  14.862 -11.476  27.988
  335    HA   TYR  40           HA       TYR  40  15.200 -13.845  29.771
  336    HB2  TYR  40           2HB      TYR  40  16.206 -13.460  26.933
  337    HB3  TYR  40           3HB      TYR  40  16.565 -14.837  27.971
  338    HD1  TYR  40           HD1      TYR  40  14.521 -16.175  28.902
  339    HD2  TYR  40           HD2      TYR  40  14.329 -13.540  25.505
  340    HE1  TYR  40           HE1      TYR  40  12.435 -17.292  28.150
  341    HE2  TYR  40           HE2      TYR  40  12.262 -14.664  24.741
  342    HH   TYR  40           HH       TYR  40  10.780 -17.371  26.564
  343    H    VAL  41           H        VAL  41  16.431 -10.756  28.830
  344    HA   VAL  41           HA       VAL  41  18.627 -11.136  30.766
  345    HB   VAL  41           HB       VAL  41  20.122  -9.731  29.255
  346   HG11  VAL  41          1HG1      VAL  41  19.457 -12.541  28.310
  347   HG12  VAL  41          2HG1      VAL  41  20.974 -11.664  28.035
  348   HG13  VAL  41          3HG1      VAL  41  20.506 -12.131  29.685
  349   HG21  VAL  41          3HG2      VAL  41  18.270 -10.744  27.072
  350   HG22  VAL  41          1HG2      VAL  41  18.357  -9.053  27.627
  351   HG23  VAL  41          2HG2      VAL  41  19.770  -9.816  26.864
  352    HA   PRO  42           HA       PRO  42  17.113  -7.272  32.194
  353    HB2  PRO  42           2HB      PRO  42  19.313  -6.107  33.320
  354    HB3  PRO  42           3HB      PRO  42  18.546  -7.584  34.003
  355    HG2  PRO  42           2HG      PRO  42  20.915  -7.425  32.116
  356    HG3  PRO  42           3HG      PRO  42  20.808  -8.314  33.676
  357    HD2  PRO  42           2HD      PRO  42  20.365  -9.589  31.335
  358    HD3  PRO  42           3HD      PRO  42  19.320  -9.929  32.746
  359    H    SER  43           H        SER  43  17.343  -4.880  31.961
  360    HA   SER  43           HA       SER  43  17.600  -4.235  29.206
  361    HB2  SER  43           2HB      SER  43  17.438  -2.394  31.626
  362    HB3  SER  43           3HB      SER  43  17.089  -1.952  29.941
  363    HG   SER  43           HG       SER  43  15.197  -2.495  31.119
  364    H    GLY  44           H        GLY  44  20.070  -4.494  31.575
  365    HA2  GLY  44           2HA      GLY  44  21.794  -2.439  30.361
  366    HA3  GLY  44           3HA      GLY  44  22.186  -3.523  31.709
  367    H    ASP  45           H        ASP  45  21.099  -5.841  29.921
  368    HA   ASP  45           HA       ASP  45  23.583  -6.154  28.304
  369    HB2  ASP  45           2HB      ASP  45  21.951  -8.222  29.808
  370    HB3  ASP  45           3HB      ASP  45  23.325  -8.579  28.751
  371    H    VAL  46           H        VAL  46  20.268  -5.652  28.051
  372    HA   VAL  46           HA       VAL  46  19.620  -7.587  26.053
  373    HB   VAL  46           HB       VAL  46  18.016  -6.346  27.531
  374   HG11  VAL  46          1HG1      VAL  46  18.333  -4.142  25.461
  375   HG12  VAL  46          2HG1      VAL  46  17.081  -4.252  26.722
  376   HG13  VAL  46          3HG1      VAL  46  18.780  -4.033  27.187
  377   HG21  VAL  46          3HG2      VAL  46  17.236  -7.717  25.746
  378   HG22  VAL  46          1HG2      VAL  46  16.276  -6.221  25.769
  379   HG23  VAL  46          2HG2      VAL  46  17.537  -6.431  24.539
  380    HA   PRO  47           HA       PRO  47  20.522  -4.250  22.823
  381    HB2  PRO  47           2HB      PRO  47  22.495  -2.426  23.139
  382    HB3  PRO  47           3HB      PRO  47  20.863  -2.175  23.841
  383    HG2  PRO  47           2HG      PRO  47  23.329  -3.289  25.223
  384    HG3  PRO  47           3HG      PRO  47  22.274  -1.959  25.784
  385    HD2  PRO  47           2HD      PRO  47  21.977  -4.518  26.638
  386    HD3  PRO  47           3HD      PRO  47  20.558  -3.454  26.378
  387    H    ASP  48           H        ASP  48  23.119  -5.676  24.763
  388    HA   ASP  48           HA       ASP  48  24.957  -5.856  22.504
  389    HB2  ASP  48           2HB      ASP  48  25.693  -5.580  24.875
  390    HB3  ASP  48           3HB      ASP  48  25.017  -7.171  25.246
  391    H    VAL  49           H        VAL  49  22.526  -7.897  24.103
  392    HA   VAL  49           HA       VAL  49  23.341 -10.313  22.704
  393    HB   VAL  49           HB       VAL  49  20.913  -9.566  24.375
  394   HG11  VAL  49          1HG1      VAL  49  20.262 -11.340  22.793
  395   HG12  VAL  49          2HG1      VAL  49  21.715 -12.271  23.221
  396   HG13  VAL  49          3HG1      VAL  49  20.439 -12.000  24.432
  397   HG21  VAL  49          3HG2      VAL  49  21.999 -11.041  26.030
  398   HG22  VAL  49          1HG2      VAL  49  23.324 -11.364  24.890
  399   HG23  VAL  49          2HG2      VAL  49  23.108  -9.735  25.559
  400    H    VAL  50           H        VAL  50  21.188  -7.574  22.061
  401    HA   VAL  50           HA       VAL  50  19.807  -8.864  19.854
  402    HB   VAL  50           HB       VAL  50  20.194  -5.969  20.705
  403   HG11  VAL  50          1HG1      VAL  50  19.931  -5.962  18.267
  404   HG12  VAL  50          2HG1      VAL  50  18.547  -7.075  18.388
  405   HG13  VAL  50          3HG1      VAL  50  18.430  -5.421  19.031
  406   HG21  VAL  50          3HG2      VAL  50  17.746  -7.781  20.627
  407   HG22  VAL  50          1HG2      VAL  50  18.714  -7.470  22.082
  408   HG23  VAL  50          2HG2      VAL  50  17.835  -6.138  21.312
  409    H    GLN  51           H        GLN  51  22.814  -6.953  20.256
  410    HA   GLN  51           HA       GLN  51  23.261  -6.739  17.409
  411    HB2  GLN  51           2HB      GLN  51  24.268  -5.184  19.026
  412    HB3  GLN  51           3HB      GLN  51  25.172  -6.527  19.774
  413    HG2  GLN  51           2HG      GLN  51  26.408  -6.907  17.723
  414    HG3  GLN  51           3HG      GLN  51  25.442  -5.702  16.857
  415   HE21  GLN  51          2HE2      GLN  51  27.964  -5.164  16.554
  416   HE22  GLN  51          1HE2      GLN  51  28.555  -3.934  17.659
  417    H    GLU  52           H        GLU  52  24.347  -9.058  19.971
  418    HA   GLU  52           HA       GLU  52  26.013 -10.528  18.165
  419    HB2  GLU  52           2HB      GLU  52  26.164 -10.670  20.637
  420    HB3  GLU  52           3HB      GLU  52  24.579 -11.479  20.680
  421    HG2  GLU  52           2HG      GLU  52  25.460 -13.319  19.296
  422    HG3  GLU  52           3HG      GLU  52  27.025 -12.496  19.180
  423    H    ALA  53           H        ALA  53  22.520 -10.550  18.855
  424    HA   ALA  53           HA       ALA  53  22.017 -13.064  17.555
  425    HB1  ALA  53           1HB      ALA  53  19.660 -12.320  17.625
  426    HB2  ALA  53           2HB      ALA  53  20.467 -12.070  19.188
  427    HB3  ALA  53           3HB      ALA  53  20.184 -10.688  18.092
  428    H    PHE  54           H        PHE  54  22.414  -9.721  16.368
  429    HA   PHE  54           HA       PHE  54  21.379 -10.474  13.725
  430    HB2  PHE  54           2HB      PHE  54  22.645  -7.938  14.815
  431    HB3  PHE  54           3HB      PHE  54  22.119  -8.128  13.153
  432    HD1  PHE  54           HD1      PHE  54  19.545  -9.774  13.744
  433    HD2  PHE  54           HD2      PHE  54  21.160  -6.160  15.456
  434    HE1  PHE  54           HE1      PHE  54  17.279  -9.047  14.354
  435    HE2  PHE  54           HE2      PHE  54  18.864  -5.417  16.015
  436    HZ   PHE  54           HZ       PHE  54  16.926  -6.861  15.467
  437    H    ILE  55           H        ILE  55  24.529 -10.192  15.346
  438    HA   ILE  55           HA       ILE  55  26.038 -10.417  12.878
  439    HB   ILE  55           HB       ILE  55  26.727 -10.999  15.788
  440   HG12  ILE  55          2HG1      ILE  55  27.459  -8.613  14.026
  441   HG13  ILE  55          3HG1      ILE  55  26.147  -8.611  15.195
  442   HG21  ILE  55          1HG2      ILE  55  28.558 -10.748  13.360
  443   HG22  ILE  55          2HG2      ILE  55  29.092 -10.976  15.044
  444   HG23  ILE  55          3HG2      ILE  55  28.198 -12.257  14.231
  445   HD11  ILE  55          3HD1      ILE  55  29.099  -9.036  15.832
  446   HD12  ILE  55          1HD1      ILE  55  28.134  -7.588  16.175
  447   HD13  ILE  55          2HD1      ILE  55  27.768  -9.114  17.014
  448    H    LYS  56           H        LYS  56  24.653 -12.648  15.282
  449    HA   LYS  56           HA       LYS  56  25.824 -15.024  14.115
  450    HB2  LYS  56           2HB      LYS  56  25.244 -14.732  16.496
  451    HB3  LYS  56           3HB      LYS  56  23.527 -14.611  16.066
  452    HG2  LYS  56           2HG      LYS  56  23.612 -16.915  15.129
  453    HG3  LYS  56           3HG      LYS  56  25.329 -17.030  15.582
  454    HD2  LYS  56           2HD      LYS  56  23.003 -16.574  17.500
  455    HD3  LYS  56           3HD      LYS  56  23.852 -18.116  17.254
  456    HE2  LYS  56           2HE      LYS  56  25.963 -17.072  18.027
  457    HE3  LYS  56           3HE      LYS  56  25.127 -15.520  18.227
  458    HZ1  LYS  56           3HZ      LYS  56  25.308 -16.663  20.300
  459    HZ2  LYS  56           1HZ      LYS  56  23.724 -16.555  19.861
  460    HZ3  LYS  56           2HZ      LYS  56  24.527 -17.987  19.709
  461    H    ALA  57           H        ALA  57  22.754 -13.218  13.764
  462    HA   ALA  57           HA       ALA  57  21.391 -15.324  12.369
  463    HB1  ALA  57           1HB      ALA  57  20.986 -12.303  12.365
  464    HB2  ALA  57           2HB      ALA  57  19.868 -13.482  11.646
  465    HB3  ALA  57           3HB      ALA  57  20.152 -13.487  13.397
  466    H    TYR  58           H        TYR  58  23.440 -12.551  11.259
  467    HA   TYR  58           HA       TYR  58  22.836 -12.861   8.512
  468    HB2  TYR  58           2HB      TYR  58  23.961 -10.914   9.594
  469    HB3  TYR  58           3HB      TYR  58  25.408 -11.903   9.828
  470    HD1  TYR  58           HD2      TYR  58  23.034 -10.896   7.081
  471    HD2  TYR  58           HD1      TYR  58  27.088 -11.769   8.232
  472    HE1  TYR  58           HE2      TYR  58  23.813 -10.204   4.835
  473    HE2  TYR  58           HE1      TYR  58  27.877 -11.114   5.970
  474    HH   TYR  58           HH       TYR  58  27.273 -10.346   3.898
  475    H    ARG  59           H        ARG  59  25.318 -14.393  10.570
  476    HA   ARG  59           HA       ARG  59  26.707 -15.716   8.420
  477    HB2  ARG  59           2HB      ARG  59  26.548 -16.212  11.414
  478    HB3  ARG  59           3HB      ARG  59  27.699 -17.009  10.321
  479    HG2  ARG  59           2HG      ARG  59  28.751 -14.921   9.754
  480    HG3  ARG  59           3HG      ARG  59  27.496 -13.977  10.590
  481    HD2  ARG  59           2HD      ARG  59  28.139 -14.895  12.739
  482    HD3  ARG  59           3HD      ARG  59  29.275 -16.006  11.973
  483    HE   ARG  59           HE       ARG  59  29.613 -13.105  12.441
  484   HH11  ARG  59          1HH1      ARG  59  30.869 -16.012  10.859
  485   HH12  ARG  59          2HH1      ARG  59  32.465 -15.330  10.634
  486   HH21  ARG  59          1HH2      ARG  59  31.703 -12.250  12.117
  487   HH22  ARG  59          2HH2      ARG  59  32.926 -13.211  11.322
  488    H    ALA  60           H        ALA  60  23.841 -16.447  10.298
  489    HA   ALA  60           HA       ALA  60  23.736 -19.226   9.271
  490    HB1  ALA  60           1HB      ALA  60  21.926 -17.698  11.177
  491    HB2  ALA  60           2HB      ALA  60  21.810 -19.431  10.787
  492    HB3  ALA  60           3HB      ALA  60  23.241 -18.802  11.640
  493    H    LEU  61           H        LEU  61  22.713 -16.082   8.324
  494    HA   LEU  61           HA       LEU  61  20.153 -16.796   7.225
  495    HB2  LEU  61           2HB      LEU  61  20.966 -14.488   7.982
  496    HB3  LEU  61           3HB      LEU  61  21.962 -14.448   6.518
  497    HG   LEU  61           HG       LEU  61  19.837 -14.766   5.177
  498   HD11  LEU  61          1HD1      LEU  61  18.605 -14.338   7.926
  499   HD12  LEU  61          2HD1      LEU  61  17.708 -14.226   6.390
  500   HD13  LEU  61          3HD1      LEU  61  18.400 -15.780   6.894
  501   HD21  LEU  61          3HD2      LEU  61  19.932 -12.393   7.081
  502   HD22  LEU  61          1HD2      LEU  61  20.859 -12.567   5.568
  503   HD23  LEU  61          2HD2      LEU  61  19.082 -12.449   5.516
  504    H    ASP  62           H        ASP  62  23.494 -16.905   6.124
  505    HA   ASP  62           HA       ASP  62  22.967 -17.207   3.326
  506    HB2  ASP  62           2HB      ASP  62  25.167 -16.662   4.329
  507    HB3  ASP  62           3HB      ASP  62  25.233 -18.285   5.041
  508    H    SER  63           H        SER  63  22.187 -19.190   5.992
  509    HA   SER  63           HA       SER  63  22.014 -21.617   4.281
  510    HB2  SER  63           2HB      SER  63  22.050 -21.363   7.310
  511    HB3  SER  63           3HB      SER  63  21.959 -22.869   6.369
  512    HG   SER  63           HG       SER  63  24.103 -22.357   7.018
  513    H    PHE  64           H        PHE  64  20.115 -19.065   5.211
  514    HA   PHE  64           HA       PHE  64  17.709 -20.461   6.006
  515    HB2  PHE  64           2HB      PHE  64  18.176 -18.101   6.553
  516    HB3  PHE  64           3HB      PHE  64  18.162 -17.696   4.838
  517    HD1  PHE  64           HD2      PHE  64  16.012 -19.188   7.523
  518    HD2  PHE  64           HD1      PHE  64  16.164 -17.024   3.812
  519    HE1  PHE  64           HE2      PHE  64  13.565 -18.810   7.642
  520    HE2  PHE  64           HE1      PHE  64  13.718 -16.645   3.930
  521    HZ   PHE  64           HZ       PHE  64  12.416 -17.539   5.843
  522    H    ARG  65           H        ARG  65  15.915 -21.010   4.743
  523    HA   ARG  65           HA       ARG  65  16.295 -20.928   1.797
  524    HB2  ARG  65           2HB      ARG  65  15.703 -23.406   3.457
  525    HB3  ARG  65           3HB      ARG  65  15.627 -23.328   1.686
  526    HG2  ARG  65           2HG      ARG  65  18.007 -22.693   1.587
  527    HG3  ARG  65           3HG      ARG  65  18.111 -22.765   3.359
  528    HD2  ARG  65           2HD      ARG  65  17.525 -25.138   3.339
  529    HD3  ARG  65           3HD      ARG  65  17.369 -25.113   1.574
  530    HE   ARG  65           HE       ARG  65  19.847 -25.109   3.157
  531   HH11  ARG  65          1HH1      ARG  65  18.388 -24.543  -0.027
  532   HH12  ARG  65          2HH1      ARG  65  19.900 -24.754  -0.876
  533   HH21  ARG  65          1HH2      ARG  65  21.791 -25.374   2.011
  534   HH22  ARG  65          2HH2      ARG  65  21.814 -25.222   0.270
  535    H    GLY  66           H        GLY  66  14.338 -19.935   4.193
  536    HA2  GLY  66           2HA      GLY  66  12.196 -19.128   4.086
  537    HA3  GLY  66           3HA      GLY  66  12.096 -19.665   2.405
  538    H    ASP  67           H        ASP  67  12.986 -22.183   4.634
  539    HA   ASP  67           HA       ASP  67  10.563 -23.639   4.134
  540    HB2  ASP  67           2HB      ASP  67  12.803 -24.650   4.525
  541    HB3  ASP  67           3HB      ASP  67  12.752 -24.092   6.202
  542    H    SER  68           H        SER  68  11.380 -21.176   6.367
  543    HA   SER  68           HA       SER  68   8.776 -21.459   7.740
  544    HB2  SER  68           2HB      SER  68  11.439 -21.031   9.158
  545    HB3  SER  68           3HB      SER  68   9.837 -20.932   9.913
  546    HG   SER  68           HG       SER  68  10.834 -22.983  10.193
  547    H    ALA  69           H        ALA  69   8.217 -19.348   8.849
  548    HA   ALA  69           HA       ALA  69   8.722 -17.158   7.073
  549    HB1  ALA  69           1HB      ALA  69   6.654 -17.394   8.403
  550    HB2  ALA  69           2HB      ALA  69   7.588 -17.155   9.897
  551    HB3  ALA  69           3HB      ALA  69   7.462 -15.839   8.704
  552    H    PHE  70           H        PHE  70   9.955 -15.236   7.402
  553    HA   PHE  70           HA       PHE  70  12.534 -15.782   8.516
  554    HB2  PHE  70           2HB      PHE  70  12.244 -14.293   6.614
  555    HB3  PHE  70           3HB      PHE  70  11.245 -13.200   7.585
  556    HD1  PHE  70           HD2      PHE  70  14.653 -14.814   7.672
  557    HD2  PHE  70           HD1      PHE  70  12.279 -11.328   8.526
  558    HE1  PHE  70           HE2      PHE  70  16.677 -13.618   8.440
  559    HE2  PHE  70           HE1      PHE  70  14.317 -10.124   9.262
  560    HZ   PHE  70           HZ       PHE  70  16.522 -11.273   9.222
  561    H    TYR  71           H        TYR  71   9.683 -14.004   9.806
  562    HA   TYR  71           HA       TYR  71  11.206 -12.795  11.914
  563    HB2  TYR  71           2HB      TYR  71   9.077 -12.191  12.874
  564    HB3  TYR  71           3HB      TYR  71   9.068 -11.895  11.137
  565    HD1  TYR  71           HD1      TYR  71   7.773 -14.044  13.850
  566    HD2  TYR  71           HD2      TYR  71   7.558 -13.085   9.662
  567    HE1  TYR  71           HE1      TYR  71   5.656 -15.331  13.668
  568    HE2  TYR  71           HE2      TYR  71   5.443 -14.365   9.475
  569    HH   TYR  71           HH       TYR  71   3.973 -16.036  12.277
  570    H    THR  72           H        THR  72   9.416 -15.900  11.631
  571    HA   THR  72           HA       THR  72   9.680 -16.560  14.425
  572    HB   THR  72           HB       THR  72   9.370 -18.410  12.020
  573    HG1  THR  72           1HG      THR  72   7.418 -17.087  13.584
  574   HG21  THR  72          1HG2      THR  72   9.896 -19.578  14.132
  575   HG22  THR  72          2HG2      THR  72   8.582 -18.703  14.956
  576   HG23  THR  72          3HG2      THR  72   8.214 -19.864  13.657
  577    H    TRP  73           H        TRP  73  11.677 -16.982  11.531
  578    HA   TRP  73           HA       TRP  73  13.546 -18.815  12.769
  579    HB2  TRP  73           2HB      TRP  73  13.126 -18.822  10.379
  580    HB3  TRP  73           3HB      TRP  73  13.596 -17.128  10.247
  581    HD1  TRP  73           HD1      TRP  73  15.035 -20.605  10.357
  582    HE1  TRP  73           HE1      TRP  73  17.557 -20.535   9.938
  583    HE3  TRP  73           HE3      TRP  73  15.759 -15.540  10.621
  584    HZ2  TRP  73           HZ2      TRP  73  19.647 -18.550   9.858
  585    HZ3  TRP  73           HZ3      TRP  73  18.032 -14.601  10.379
  586    HH2  TRP  73           HH2      TRP  73  19.976 -16.084  10.029
  587    H    LEU  74           H        LEU  74  13.229 -15.298  12.551
  588    HA   LEU  74           HA       LEU  74  16.006 -14.870  13.367
  589    HB2  LEU  74           2HB      LEU  74  14.858 -13.379  11.763
  590    HB3  LEU  74           3HB      LEU  74  13.669 -12.964  12.998
  591    HG   LEU  74           HG       LEU  74  15.450 -11.963  14.402
  592   HD11  LEU  74          1HD1      LEU  74  17.706 -11.603  13.400
  593   HD12  LEU  74          2HD1      LEU  74  17.381 -13.322  13.683
  594   HD13  LEU  74          3HD1      LEU  74  17.257 -12.650  12.038
  595   HD21  LEU  74          3HD2      LEU  74  14.221 -10.601  12.760
  596   HD22  LEU  74          1HD2      LEU  74  15.892 -10.021  12.954
  597   HD23  LEU  74          2HD2      LEU  74  15.444 -10.975  11.524
  598    H    TYR  75           H        TYR  75  12.744 -14.829  14.855
  599    HA   TYR  75           HA       TYR  75  13.533 -13.607  17.311
  600    HB2  TYR  75           2HB      TYR  75  11.356 -15.632  16.678
  601    HB3  TYR  75           3HB      TYR  75  11.513 -14.792  18.220
  602    HD1  TYR  75           HD1      TYR  75  12.423 -12.294  15.978
  603    HD2  TYR  75           HD2      TYR  75   8.996 -14.616  17.161
  604    HE1  TYR  75           HE1      TYR  75  10.930 -10.503  15.165
  605    HE2  TYR  75           HE2      TYR  75   7.494 -12.818  16.326
  606    HH   TYR  75           HH       TYR  75   8.774  -9.816  14.856
  607    H    ARG  76           H        ARG  76  13.820 -16.951  16.089
  608    HA   ARG  76           HA       ARG  76  14.445 -18.030  18.700
  609    HB2  ARG  76           2HB      ARG  76  15.121 -20.052  17.474
  610    HB3  ARG  76           3HB      ARG  76  13.485 -19.497  17.087
  611    HG2  ARG  76           2HG      ARG  76  14.276 -18.476  15.020
  612    HG3  ARG  76           3HG      ARG  76  15.958 -18.945  15.385
  613    HD2  ARG  76           2HD      ARG  76  13.651 -20.906  15.131
  614    HD3  ARG  76           3HD      ARG  76  14.711 -20.474  13.778
  615    HE   ARG  76           HE       ARG  76  15.339 -22.220  16.028
  616   HH11  ARG  76          1HH1      ARG  76  16.695 -20.152  13.492
  617   HH12  ARG  76          2HH1      ARG  76  18.237 -20.978  13.488
  618   HH21  ARG  76          1HH2      ARG  76  17.362 -23.276  15.983
  619   HH22  ARG  76          2HH2      ARG  76  18.610 -22.743  14.881
  620    H    ILE  77           H        ILE  77  16.357 -16.347  16.239
  621    HA   ILE  77           HA       ILE  77  18.890 -17.390  17.162
  622    HB   ILE  77           HB       ILE  77  18.351 -14.677  15.900
  623   HG12  ILE  77          2HG1      ILE  77  17.395 -16.344  14.418
  624   HG13  ILE  77          3HG1      ILE  77  18.868 -15.671  13.730
  625   HG21  ILE  77          1HG2      ILE  77  20.702 -14.966  15.094
  626   HG22  ILE  77          2HG2      ILE  77  20.578 -14.883  16.861
  627   HG23  ILE  77          3HG2      ILE  77  20.820 -16.451  16.064
  628   HD11  ILE  77          3HD1      ILE  77  18.652 -18.369  15.126
  629   HD12  ILE  77          1HD1      ILE  77  18.753 -18.093  13.372
  630   HD13  ILE  77          2HD1      ILE  77  20.134 -17.683  14.406
  631    H    ALA  78           H        ALA  78  16.756 -14.696  18.143
  632    HA   ALA  78           HA       ALA  78  18.799 -13.471  19.781
  633    HB1  ALA  78           1HB      ALA  78  15.791 -13.015  19.627
  634    HB2  ALA  78           2HB      ALA  78  16.966 -11.943  20.426
  635    HB3  ALA  78           3HB      ALA  78  17.029 -12.175  18.668
  636    H    VAL  79           H        VAL  79  16.035 -15.686  20.469
  637    HA   VAL  79           HA       VAL  79  16.403 -15.337  23.341
  638    HB   VAL  79           HB       VAL  79  14.204 -15.779  22.397
  639   HG11  VAL  79          1HG1      VAL  79  15.271 -18.550  21.738
  640   HG12  VAL  79          2HG1      VAL  79  13.603 -17.973  21.519
  641   HG13  VAL  79          3HG1      VAL  79  14.913 -17.274  20.543
  642   HG21  VAL  79          3HG2      VAL  79  15.152 -18.115  24.116
  643   HG22  VAL  79          1HG2      VAL  79  14.776 -16.491  24.734
  644   HG23  VAL  79          2HG2      VAL  79  13.497 -17.476  23.990
  645    H    ASN  80           H        ASN  80  17.608 -17.590  20.868
  646    HA   ASN  80           HA       ASN  80  18.601 -19.483  22.846
  647    HB2  ASN  80           2HB      ASN  80  19.177 -19.075  19.888
  648    HB3  ASN  80           3HB      ASN  80  19.867 -20.380  20.857
  649   HD21  ASN  80          2HD2      ASN  80  18.459 -21.173  18.707
  650   HD22  ASN  80          1HD2      ASN  80  16.912 -21.835  19.193
  651    H    THR  81           H        THR  81  19.752 -16.471  21.404
  652    HA   THR  81           HA       THR  81  22.513 -16.926  22.242
  653    HB   THR  81           HB       THR  81  21.064 -14.430  21.276
  654    HG1  THR  81           1HG      THR  81  21.203 -15.912  19.662
  655   HG21  THR  81          1HG2      THR  81  24.029 -15.033  21.664
  656   HG22  THR  81          2HG2      THR  81  23.373 -13.604  20.824
  657   HG23  THR  81          3HG2      THR  81  23.084 -13.831  22.562
  658    H    ALA  82           H        ALA  82  19.570 -15.458  23.625
  659    HA   ALA  82           HA       ALA  82  20.983 -14.025  25.704
  660    HB1  ALA  82           1HB      ALA  82  18.736 -13.400  24.873
  661    HB2  ALA  82           2HB      ALA  82  18.084 -14.944  25.473
  662    HB3  ALA  82           3HB      ALA  82  18.703 -13.737  26.620
  663    H    LYS  83           H        LYS  83  19.539 -17.281  25.406
  664    HA   LYS  83           HA       LYS  83  19.914 -17.866  28.231
  665    HB2  LYS  83           2HB      LYS  83  19.239 -19.566  25.801
  666    HB3  LYS  83           3HB      LYS  83  19.325 -20.202  27.458
  667    HG2  LYS  83           2HG      LYS  83  17.594 -18.653  28.202
  668    HG3  LYS  83           3HG      LYS  83  17.529 -17.889  26.601
  669    HD2  LYS  83           2HD      LYS  83  16.787 -20.000  25.591
  670    HD3  LYS  83           3HD      LYS  83  16.887 -20.815  27.165
  671    HE2  LYS  83           2HE      LYS  83  15.111 -18.411  26.565
  672    HE3  LYS  83           3HE      LYS  83  14.565 -20.090  26.518
  673    HZ1  LYS  83           3HZ      LYS  83  14.072 -19.087  28.628
  674    HZ2  LYS  83           1HZ      LYS  83  15.168 -20.289  28.832
  675    HZ3  LYS  83           2HZ      LYS  83  15.654 -18.719  28.888
  676    H    ASN  84           H        ASN  84  21.824 -18.169  25.268
  677    HA   ASN  84           HA       ASN  84  23.812 -19.890  26.527
  678    HB2  ASN  84           2HB      ASN  84  23.290 -19.841  24.064
  679    HB3  ASN  84           3HB      ASN  84  23.987 -18.216  23.990
  680   HD21  ASN  84          2HD2      ASN  84  25.571 -18.990  22.476
  681   HD22  ASN  84          1HD2      ASN  84  26.943 -19.940  23.025
  682    H    TYR  85           H        TYR  85  23.170 -16.439  26.254
  683    HA   TYR  85           HA       TYR  85  25.857 -15.539  26.771
  684    HB2  TYR  85           2HB      TYR  85  24.129 -14.218  25.626
  685    HB3  TYR  85           3HB      TYR  85  23.144 -14.209  27.095
  686    HD1  TYR  85           HD1      TYR  85  26.424 -13.083  25.693
  687    HD2  TYR  85           HD2      TYR  85  23.416 -12.529  28.714
  688    HE1  TYR  85           HE1      TYR  85  27.480 -10.935  26.343
  689    HE2  TYR  85           HE2      TYR  85  24.484 -10.403  29.402
  690    HH   TYR  85           HH       TYR  85  27.402  -9.120  27.740
  691    H    LEU  86           H        LEU  86  22.999 -16.241  28.830
  692    HA   LEU  86           HA       LEU  86  24.324 -15.170  31.198
  693    HB2  LEU  86           2HB      LEU  86  21.761 -16.761  30.807
  694    HB3  LEU  86           3HB      LEU  86  22.321 -16.133  32.365
  695    HG   LEU  86           HG       LEU  86  21.648 -14.437  29.926
  696   HD11  LEU  86          1HD1      LEU  86  20.278 -14.857  32.622
  697   HD12  LEU  86          2HD1      LEU  86  19.791 -13.670  31.394
  698   HD13  LEU  86          3HD1      LEU  86  19.681 -15.408  31.041
  699   HD21  LEU  86          3HD2      LEU  86  22.541 -13.674  32.741
  700   HD22  LEU  86          1HD2      LEU  86  23.419 -13.342  31.227
  701   HD23  LEU  86          2HD2      LEU  86  21.876 -12.538  31.548
  702    H    VAL  87           H        VAL  87  24.140 -18.404  29.696
  703    HA   VAL  87           HA       VAL  87  25.142 -19.596  32.188
  704    HB   VAL  87           HB       VAL  87  25.250 -21.687  30.935
  705   HG11  VAL  87          1HG1      VAL  87  23.143 -21.007  32.008
  706   HG12  VAL  87          2HG1      VAL  87  22.640 -20.167  30.521
  707   HG13  VAL  87          3HG1      VAL  87  22.839 -21.934  30.520
  708   HG21  VAL  87          3HG2      VAL  87  25.877 -20.864  28.722
  709   HG22  VAL  87          1HG2      VAL  87  24.373 -21.800  28.622
  710   HG23  VAL  87          2HG2      VAL  87  24.321 -20.019  28.568
  711    H    ALA  88           H        ALA  88  26.482 -18.108  29.336
  712    HA   ALA  88           HA       ALA  88  29.082 -19.392  29.618
  713    HB1  ALA  88           1HB      ALA  88  28.194 -16.935  28.052
  714    HB2  ALA  88           2HB      ALA  88  29.755 -17.771  27.877
  715    HB3  ALA  88           3HB      ALA  88  28.249 -18.606  27.434
  716    H    GLN  89           H        GLN  89  27.444 -16.928  31.320
  717    HA   GLN  89           HA       GLN  89  30.056 -15.893  32.354
  718    HB2  GLN  89           2HB      GLN  89  27.353 -14.506  32.267
  719    HB3  GLN  89           3HB      GLN  89  28.873 -13.836  32.902
  720    HG2  GLN  89           2HG      GLN  89  29.892 -14.054  30.642
  721    HG3  GLN  89           3HG      GLN  89  28.358 -14.678  30.012
  722   HE21  GLN  89          2HE2      GLN  89  28.510 -12.820  28.493
  723   HE22  GLN  89          1HE2      GLN  89  27.971 -11.248  29.045
  724    H    GLY  90           H        GLY  90  26.998 -17.453  33.113
  725    HA2  GLY  90           2HA      GLY  90  27.404 -17.048  36.019
  726    HA3  GLY  90           3HA      GLY  90  25.960 -17.685  35.219
  727    H    ARG  91           H        ARG  91  28.129 -19.398  33.587
  728    HA   ARG  91           HA       ARG  91  28.560 -21.436  35.708
  729    HB2  ARG  91           2HB      ARG  91  27.503 -22.074  32.928
  730    HB3  ARG  91           3HB      ARG  91  27.786 -23.196  34.263
  731    HG2  ARG  91           2HG      ARG  91  26.079 -21.891  35.620
  732    HG3  ARG  91           3HG      ARG  91  25.714 -20.965  34.151
  733    HD2  ARG  91           2HD      ARG  91  24.108 -22.759  34.327
  734    HD3  ARG  91           3HD      ARG  91  25.202 -23.128  32.982
  735    HE   ARG  91           HE       ARG  91  25.941 -24.274  35.595
  736   HH11  ARG  91          1HH1      ARG  91  24.259 -24.833  32.525
  737   HH12  ARG  91          2HH1      ARG  91  24.347 -26.573  32.685
  738   HH21  ARG  91          1HH2      ARG  91  26.039 -26.478  35.765
  739   HH22  ARG  91          2HH2      ARG  91  25.352 -27.514  34.529
  740    H    ARG  92           H        ARG  92  30.283 -19.424  34.129
  741    HA   ARG  92           HA       ARG  92  31.908 -20.840  32.283
  742    HB2  ARG  92           2HB      ARG  92  31.721 -18.366  32.592
  743    HB3  ARG  92           3HB      ARG  92  32.650 -18.511  34.097
  744    HG2  ARG  92           2HG      ARG  92  34.590 -19.367  32.876
  745    HG3  ARG  92           3HG      ARG  92  33.656 -19.428  31.367
  746    HD2  ARG  92           2HD      ARG  92  34.259 -16.901  32.954
  747    HD3  ARG  92           3HD      ARG  92  35.149 -17.442  31.518
  748    HE   ARG  92           HE       ARG  92  32.318 -17.274  30.992
  749   HH11  ARG  92          1HH1      ARG  92  35.219 -15.282  31.335
  750   HH12  ARG  92          2HH1      ARG  92  34.602 -14.013  30.302
  751   HH21  ARG  92          1HH2      ARG  92  31.548 -15.621  29.667
  752   HH22  ARG  92          2HH2      ARG  92  32.522 -14.199  29.357
  753    H    LEU  93           H        LEU  93  31.708 -21.135  35.721
  754    HA   LEU  93           HA       LEU  93  34.436 -22.316  35.857
  755    HB2  LEU  93           2HB      LEU  93  32.649 -21.167  38.026
  756    HB3  LEU  93           3HB      LEU  93  34.253 -21.874  38.289
  757    HG   LEU  93           HG       LEU  93  33.646 -19.402  36.605
  758   HD11  LEU  93          1HD1      LEU  93  35.014 -19.747  39.307
  759   HD12  LEU  93          2HD1      LEU  93  34.838 -18.219  38.412
  760   HD13  LEU  93          3HD1      LEU  93  33.400 -19.053  39.042
  761   HD21  LEU  93          3HD2      LEU  93  36.285 -20.737  37.355
  762   HD22  LEU  93          1HD2      LEU  93  35.601 -20.595  35.715
  763   HD23  LEU  93          2HD2      LEU  93  36.123 -19.141  36.585
  764    H    GLU  94           H        GLU  94  31.483 -23.458  35.206
  765    HA   GLU  94           HA       GLU  94  32.108 -25.995  36.614
  766    HB2  GLU  94           2HB      GLU  94  29.813 -26.286  37.348
  767    HB3  GLU  94           3HB      GLU  94  30.473 -24.778  38.015
  768    HG2  GLU  94           2HG      GLU  94  29.307 -23.468  36.305
  769    HG3  GLU  94           3HG      GLU  94  28.707 -24.956  35.542
  770    H    LEU  95           H        LEU  95  30.815 -24.315  33.827
  771    HA   LEU  95           HA       LEU  95  29.903 -26.876  32.649
  772    HB2  LEU  95           2HB      LEU  95  28.378 -24.926  32.677
  773    HB3  LEU  95           3HB      LEU  95  29.557 -23.986  31.747
  774    HG   LEU  95           HG       LEU  95  29.321 -25.533  29.846
  775   HD11  LEU  95          1HD1      LEU  95  27.246 -26.913  31.608
  776   HD12  LEU  95          2HD1      LEU  95  27.506 -27.230  29.874
  777   HD13  LEU  95          3HD1      LEU  95  28.780 -27.623  31.042
  778   HD21  LEU  95          3HD2      LEU  95  26.662 -24.554  30.954
  779   HD22  LEU  95          1HD2      LEU  95  27.839 -23.568  30.058
  780   HD23  LEU  95          2HD2      LEU  95  27.016 -24.915  29.246
  781    H    VAL  96           H        VAL  96  32.524 -24.600  32.576
  782    HA   VAL  96           HA       VAL  96  33.486 -25.503  29.947
  783    HB   VAL  96           HB       VAL  96  34.712 -23.605  31.978
  784   HG11  VAL  96          1HG1      VAL  96  35.424 -24.214  29.074
  785   HG12  VAL  96          2HG1      VAL  96  36.129 -22.919  30.070
  786   HG13  VAL  96          3HG1      VAL  96  36.412 -24.619  30.496
  787   HG21  VAL  96          3HG2      VAL  96  33.187 -23.104  29.386
  788   HG22  VAL  96          1HG2      VAL  96  32.586 -22.768  31.030
  789   HG23  VAL  96          2HG2      VAL  96  33.974 -21.867  30.390
  790    HA   PRO  97           HA       PRO  97  36.634 -27.776  32.689
  791    HB2  PRO  97           2HB      PRO  97  36.372 -27.966  35.381
  792    HB3  PRO  97           3HB      PRO  97  37.074 -26.500  34.614
  793    HG2  PRO  97           2HG      PRO  97  34.202 -26.936  35.501
  794    HG3  PRO  97           3HG      PRO  97  35.280 -25.560  35.912
  795    HD2  PRO  97           2HD      PRO  97  33.486 -25.441  33.874
  796    HD3  PRO  97           3HD      PRO  97  35.091 -24.654  33.752
  797    H    ARG  98           H        ARG  98  33.263 -27.923  32.755
  798    HA   ARG  98           HA       ARG  98  31.708 -29.547  32.932
  799    HB2  ARG  98           2HB      ARG  98  34.009 -31.280  31.973
  800    HB3  ARG  98           3HB      ARG  98  32.290 -31.716  31.912
  801    HG2  ARG  98           2HG      ARG  98  31.829 -29.751  30.480
  802    HG3  ARG  98           3HG      ARG  98  33.552 -29.320  30.500
  803    HD2  ARG  98           2HD      ARG  98  32.394 -31.936  29.455
  804    HD3  ARG  98           3HD      ARG  98  32.900 -30.564  28.450
  805    HE   ARG  98           HE       ARG  98  35.100 -31.222  30.067
  806   HH11  ARG  98          1HH1      ARG  98  33.165 -32.744  27.521
  807   HH12  ARG  98          2HH1      ARG  98  34.492 -33.725  26.941
  808   HH21  ARG  98          1HH2      ARG  98  36.808 -32.519  29.291
  809   HH22  ARG  98          2HH2      ARG  98  36.546 -33.601  27.943
  810    H    GLY  99           H        GLY  99  33.157 -28.967  35.403
  811    HA2  GLY  99           2HA      GLY  99  32.107 -31.093  37.015
  812    HA3  GLY  99           3HA      GLY  99  33.872 -31.209  36.915
  813    H    SER 100           H        SER 100  33.149 -30.847  39.368
  814    HA   SER 100           HA       SER 100  32.700 -28.057  40.080
  815    HB2  SER 100           2HB      SER 100  31.722 -29.957  41.337
  816    HB3  SER 100           3HB      SER 100  33.356 -30.489  41.781
  817    HG   SER 100           HG       SER 100  32.116 -28.020  42.443
  818    H    HIS 101           H        HIS 101  35.444 -29.921  39.249
  819    HA   HIS 101           HA       HIS 101  37.663 -29.694  39.501
  820    HB2  HIS 101           2HB      HIS 101  37.022 -27.651  38.227
  821    HB3  HIS 101           3HB      HIS 101  37.049 -26.737  39.737
  822    HD2  HIS 101           HD2      HIS 101  39.250 -25.395  39.902
  823    HE1  HIS 101           HE1      HIS 101  41.962 -28.155  38.138
  824    HE2  HIS 101           HE2      HIS 101  41.737 -25.866  39.233
  825    H    HIS 102           H        HIS 102  36.164 -30.194  41.961
  826    HA   HIS 102           HA       HIS 102  38.248 -29.408  43.907
  827    HB2  HIS 102           2HB      HIS 102  36.451 -27.695  44.016
  828    HB3  HIS 102           3HB      HIS 102  35.272 -28.974  44.333
  829    HD2  HIS 102           HD2      HIS 102  34.612 -28.812  46.813
  830    HE1  HIS 102           HE1      HIS 102  38.444 -28.227  48.568
  831    HE2  HIS 102           HE2      HIS 102  35.961 -28.540  49.046
  832    H    HIS 103           H        HIS 103  38.106 -30.716  45.902
  833    HA   HIS 103           HA       HIS 103  36.654 -33.287  45.583
  834    HB2  HIS 103           2HB      HIS 103  39.650 -33.018  46.033
  835    HB3  HIS 103           3HB      HIS 103  38.726 -34.522  46.089
  836    HD2  HIS 103           HD2      HIS 103  40.361 -32.097  43.664
  837    HE1  HIS 103           HE1      HIS 103  38.522 -35.089  41.261
  838    HE2  HIS 103           HE2      HIS 103  40.112 -33.096  41.253
  839    H    HIS 104           H        HIS 104  36.781 -34.621  47.571
  840    HA   HIS 104           HA       HIS 104  37.396 -33.156  50.058
  841    HB2  HIS 104           2HB      HIS 104  35.186 -33.578  50.980
  842    HB3  HIS 104           3HB      HIS 104  35.051 -32.590  49.526
  843    HD2  HIS 104           HD2      HIS 104  33.984 -35.926  51.011
  844    HE1  HIS 104           HE1      HIS 104  32.473 -35.905  47.038
  845    HE2  HIS 104           HE2      HIS 104  32.424 -37.118  49.277
  846    H    HIS 105           H        HIS 105  36.960 -34.671  51.987
  847    HA   HIS 105           HA       HIS 105  37.507 -37.510  51.280
  848    HB2  HIS 105           2HB      HIS 105  39.062 -35.840  53.283
  849    HB3  HIS 105           3HB      HIS 105  39.281 -37.566  52.972
  850    HD2  HIS 105           HD2      HIS 105  40.336 -38.260  50.531
  851    HE1  HIS 105           HE1      HIS 105  41.943 -34.417  49.666
  852    HE2  HIS 105           HE2      HIS 105  41.959 -36.878  49.004
  853    H    HIS 106           H        HIS 106  37.207 -38.975  53.096
  854    HA   HIS 106           HA       HIS 106  35.730 -39.922  54.538
  855    HB2  HIS 106           2HB      HIS 106  36.364 -37.409  56.113
  856    HB3  HIS 106           3HB      HIS 106  35.744 -38.926  56.775
  857    HD2  HIS 106           HD2      HIS 106  38.944 -37.161  55.998
  858    HE1  HIS 106           HE1      HIS 106  40.074 -41.219  56.582
  859    HE2  HIS 106           HE2      HIS 106  40.933 -38.837  56.337
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -0.424   5.398  -4.913
    2    H2   MET   1           H2       MET   1  -1.016   5.528  -6.437
    3    H3   MET   1           H3       MET   1   0.264   6.458  -5.969
    4    HA   MET   1           HA       MET   1   0.255   3.535  -6.218
    5    HB2  MET   1           2HB      MET   1   0.175   4.714  -8.388
    6    HB3  MET   1           3HB      MET   1   1.627   5.628  -7.944
    7    HG2  MET   1           2HG      MET   1   2.914   3.537  -7.769
    8    HG3  MET   1           3HG      MET   1   1.459   2.597  -8.109
    9    HE1  MET   1           1HE      MET   1   3.669   5.298 -11.171
   10    HE2  MET   1           2HE      MET   1   2.719   5.966  -9.825
   11    HE3  MET   1           3HE      MET   1   4.196   5.026  -9.498
   12    H    SER   2           H        SER   2   1.834   2.496  -5.120
   13    HA   SER   2           HA       SER   2   4.365   3.830  -4.498
   14    HB2  SER   2           2HB      SER   2   4.166   3.447  -2.078
   15    HB3  SER   2           3HB      SER   2   2.944   4.603  -2.650
   16    HG   SER   2           HG       SER   2   1.430   2.919  -2.637
   17    H    GLU   3           H        GLU   3   5.899   2.317  -3.448
   18    HA   GLU   3           HA       GLU   3   5.201  -0.532  -3.530
   19    HB2  GLU   3           2HB      GLU   3   5.865   0.029  -5.858
   20    HB3  GLU   3           3HB      GLU   3   7.412   0.657  -5.256
   21    HG2  GLU   3           2HG      GLU   3   8.007  -1.569  -4.401
   22    HG3  GLU   3           3HG      GLU   3   6.423  -2.203  -4.890
   23    H    GLN   4           H        GLN   4   6.685  -1.814  -2.309
   24    HA   GLN   4           HA       GLN   4   8.984  -0.488  -1.050
   25    HB2  GLN   4           2HB      GLN   4   8.205  -1.041   1.233
   26    HB3  GLN   4           3HB      GLN   4   7.186   0.169   0.449
   27    HG2  GLN   4           2HG      GLN   4   5.526  -1.599  -0.118
   28    HG3  GLN   4           3HG      GLN   4   6.558  -2.821   0.633
   29   HE21  GLN   4          2HE2      GLN   4   4.192  -2.920   1.684
   30   HE22  GLN   4          1HE2      GLN   4   4.071  -2.074   3.210
   31    H    LEU   5           H        LEU   5  10.049  -2.023   0.518
   32    HA   LEU   5           HA       LEU   5  10.157  -4.739  -0.706
   33    HB2  LEU   5           2HB      LEU   5  12.255  -3.125   0.777
   34    HB3  LEU   5           3HB      LEU   5  12.500  -4.708   0.015
   35    HG   LEU   5           HG       LEU   5  11.881  -2.072  -1.395
   36   HD11  LEU   5          1HD1      LEU   5  14.186  -2.330  -0.525
   37   HD12  LEU   5          2HD1      LEU   5  14.338  -3.874  -1.402
   38   HD13  LEU   5          3HD1      LEU   5  14.135  -2.348  -2.303
   39   HD21  LEU   5          3HD2      LEU   5  10.831  -3.980  -2.602
   40   HD22  LEU   5          1HD2      LEU   5  12.211  -3.306  -3.491
   41   HD23  LEU   5          2HD2      LEU   5  12.405  -4.825  -2.597
   42    H    THR   6           H        THR   6  10.658  -6.505   0.717
   43    HA   THR   6           HA       THR   6   9.861  -6.114   3.558
   44    HB   THR   6           HB       THR   6   8.614  -8.145   1.654
   45    HG1  THR   6           1HG      THR   6   7.897  -6.047   1.246
   46   HG21  THR   6          1HG2      THR   6   8.520  -9.040   3.876
   47   HG22  THR   6          2HG2      THR   6   8.135  -7.443   4.577
   48   HG23  THR   6          3HG2      THR   6   6.939  -8.311   3.578
   49    H    ASP   7           H        ASP   7  10.119  -8.373   4.712
   50    HA   ASP   7           HA       ASP   7  12.835  -9.044   4.673
   51    HB2  ASP   7           2HB      ASP   7  12.180 -10.876   6.159
   52    HB3  ASP   7           3HB      ASP   7  11.310  -9.393   6.555
   53    H    GLN   8           H        GLN   8  10.334 -10.123   2.512
   54    HA   GLN   8           HA       GLN   8  11.458 -12.650   1.765
   55    HB2  GLN   8           2HB      GLN   8   9.152 -12.007   1.226
   56    HB3  GLN   8           3HB      GLN   8   9.734 -10.635   0.269
   57    HG2  GLN   8           2HG      GLN   8   9.088 -12.499  -1.198
   58    HG3  GLN   8           3HG      GLN   8  10.814 -12.177  -1.325
   59   HE21  GLN   8          2HE2      GLN   8  12.324 -13.681  -0.374
   60   HE22  GLN   8          1HE2      GLN   8  11.835 -15.319   0.013
   61    H    VAL   9           H        VAL   9  11.721  -9.372   0.308
   62    HA   VAL   9           HA       VAL   9  13.750 -10.322  -1.581
   63    HB   VAL   9           HB       VAL   9  12.071  -8.841  -2.424
   64   HG11  VAL   9          1HG1      VAL   9  11.356  -7.783  -0.338
   65   HG12  VAL   9          2HG1      VAL   9  12.893  -6.882  -0.254
   66   HG13  VAL   9          3HG1      VAL   9  11.729  -6.566  -1.568
   67   HG21  VAL   9          3HG2      VAL   9  14.598  -7.172  -2.044
   68   HG22  VAL   9          1HG2      VAL   9  14.410  -8.475  -3.249
   69   HG23  VAL   9          2HG2      VAL   9  13.399  -7.016  -3.339
   70    H    LEU  10           H        LEU  10  13.631  -8.609   1.509
   71    HA   LEU  10           HA       LEU  10  16.293  -7.512   1.310
   72    HB2  LEU  10           2HB      LEU  10  14.192  -7.855   3.411
   73    HB3  LEU  10           3HB      LEU  10  15.866  -7.702   3.969
   74    HG   LEU  10           HG       LEU  10  16.156  -5.607   2.803
   75   HD11  LEU  10          1HD1      LEU  10  13.277  -5.920   1.860
   76   HD12  LEU  10          2HD1      LEU  10  14.285  -4.467   1.673
   77   HD13  LEU  10          3HD1      LEU  10  14.740  -5.958   0.836
   78   HD21  LEU  10          3HD2      LEU  10  13.525  -5.668   4.351
   79   HD22  LEU  10          1HD2      LEU  10  15.156  -5.553   5.057
   80   HD23  LEU  10          2HD2      LEU  10  14.526  -4.226   4.060
   81    H    VAL  11           H        VAL  11  15.020 -10.715   2.249
   82    HA   VAL  11           HA       VAL  11  17.639 -11.476   3.321
   83    HB   VAL  11           HB       VAL  11  15.104 -13.047   2.796
   84   HG11  VAL  11          1HG1      VAL  11  17.785 -13.942   3.932
   85   HG12  VAL  11          2HG1      VAL  11  16.269 -14.858   4.095
   86   HG13  VAL  11          3HG1      VAL  11  16.967 -14.583   2.487
   87   HG21  VAL  11          3HG2      VAL  11  15.052 -13.137   5.258
   88   HG22  VAL  11          1HG2      VAL  11  16.598 -12.262   5.349
   89   HG23  VAL  11          2HG2      VAL  11  15.148 -11.437   4.743
   90    H    GLU  12           H        GLU  12  15.915 -11.640   0.208
   91    HA   GLU  12           HA       GLU  12  17.790 -13.491  -0.995
   92    HB2  GLU  12           2HB      GLU  12  15.864 -11.419  -2.108
   93    HB3  GLU  12           3HB      GLU  12  16.874 -12.449  -3.129
   94    HG2  GLU  12           2HG      GLU  12  15.867 -14.468  -2.105
   95    HG3  GLU  12           3HG      GLU  12  14.834 -13.443  -1.098
   96    H    ARG  13           H        ARG  13  17.638  -9.944  -0.593
   97    HA   ARG  13           HA       ARG  13  19.730  -9.422  -2.507
   98    HB2  ARG  13           2HB      ARG  13  17.963  -7.818  -1.953
   99    HB3  ARG  13           3HB      ARG  13  18.570  -7.686  -0.287
  100    HG2  ARG  13           2HG      ARG  13  20.606  -6.691  -1.012
  101    HG3  ARG  13           3HG      ARG  13  20.307  -7.131  -2.715
  102    HD2  ARG  13           2HD      ARG  13  18.288  -5.631  -2.666
  103    HD3  ARG  13           3HD      ARG  13  18.791  -5.082  -1.051
  104    HE   ARG  13           HE       ARG  13  21.006  -4.808  -2.791
  105   HH11  ARG  13          1HH1      ARG  13  17.800  -3.400  -2.333
  106   HH12  ARG  13          2HH1      ARG  13  18.241  -1.874  -3.071
  107   HH21  ARG  13          1HH2      ARG  13  21.536  -2.869  -3.778
  108   HH22  ARG  13          2HH2      ARG  13  20.368  -1.561  -3.868
  109    H    VAL  14           H        VAL  14  19.718  -9.916   1.045
  110    HA   VAL  14           HA       VAL  14  22.503  -9.173   1.322
  111    HB   VAL  14           HB       VAL  14  22.327 -10.163   3.553
  112   HG11  VAL  14          1HG1      VAL  14  19.975  -8.443   2.672
  113   HG12  VAL  14          2HG1      VAL  14  20.437  -8.723   4.357
  114   HG13  VAL  14          3HG1      VAL  14  21.562  -7.887   3.250
  115   HG21  VAL  14          3HG2      VAL  14  19.554 -11.014   2.657
  116   HG22  VAL  14          1HG2      VAL  14  20.894 -12.091   3.120
  117   HG23  VAL  14          2HG2      VAL  14  20.154 -11.028   4.338
  118    H    GLN  15           H        GLN  15  20.810 -12.115   0.362
  119    HA   GLN  15           HA       GLN  15  23.165 -13.811   0.692
  120    HB2  GLN  15           2HB      GLN  15  20.486 -14.167  -0.707
  121    HB3  GLN  15           3HB      GLN  15  21.747 -15.415  -0.649
  122    HG2  GLN  15           2HG      GLN  15  21.678 -15.446   1.803
  123    HG3  GLN  15           3HG      GLN  15  20.514 -14.133   1.826
  124   HE21  GLN  15          2HE2      GLN  15  19.803 -16.420   3.159
  125   HE22  GLN  15          1HE2      GLN  15  18.578 -17.287   2.261
  126    H    LYS  16           H        LYS  16  22.069 -11.482  -1.608
  127    HA   LYS  16           HA       LYS  16  23.684 -12.602  -3.795
  128    HB2  LYS  16           2HB      LYS  16  21.765 -10.277  -3.564
  129    HB3  LYS  16           3HB      LYS  16  22.745 -10.564  -5.015
  130    HG2  LYS  16           2HG      LYS  16  21.806 -12.774  -5.319
  131    HG3  LYS  16           3HG      LYS  16  20.987 -12.702  -3.749
  132    HD2  LYS  16           2HD      LYS  16  19.640 -10.765  -4.585
  133    HD3  LYS  16           3HD      LYS  16  20.377 -10.994  -6.191
  134    HE2  LYS  16           2HE      LYS  16  19.522 -13.328  -6.227
  135    HE3  LYS  16           3HE      LYS  16  18.816 -13.100  -4.623
  136    HZ1  LYS  16           3HZ      LYS  16  17.181 -12.804  -6.348
  137    HZ2  LYS  16           1HZ      LYS  16  17.420 -11.371  -5.571
  138    HZ3  LYS  16           2HZ      LYS  16  18.066 -11.625  -7.060
  139    H    GLY  17           H        GLY  17  24.427 -10.915  -1.058
  140    HA2  GLY  17           2HA      GLY  17  26.751 -10.451  -0.713
  141    HA3  GLY  17           3HA      GLY  17  26.883  -9.871  -2.378
  142    H    ASP  18           H        ASP  18  24.004  -8.579  -1.206
  143    HA   ASP  18           HA       ASP  18  25.347  -6.002  -0.631
  144    HB2  ASP  18           2HB      ASP  18  22.592  -6.901  -1.453
  145    HB3  ASP  18           3HB      ASP  18  22.795  -5.335  -0.678
  146    H    GLN  19           H        GLN  19  26.167  -6.595   1.464
  147    HA   GLN  19           HA       GLN  19  24.486  -7.532   3.576
  148    HB2  GLN  19           2HB      GLN  19  26.943  -7.738   3.467
  149    HB3  GLN  19           3HB      GLN  19  27.126  -5.993   3.652
  150    HG2  GLN  19           2HG      GLN  19  25.603  -7.660   5.684
  151    HG3  GLN  19           3HG      GLN  19  27.363  -7.570   5.732
  152   HE21  GLN  19          2HE2      GLN  19  25.934  -6.719   7.921
  153   HE22  GLN  19          1HE2      GLN  19  26.059  -4.978   8.063
  154    H    LYS  20           H        LYS  20  24.880  -4.403   2.100
  155    HA   LYS  20           HA       LYS  20  24.081  -2.719   4.246
  156    HB2  LYS  20           2HB      LYS  20  23.552  -1.135   2.433
  157    HB3  LYS  20           3HB      LYS  20  25.099  -1.950   2.144
  158    HG2  LYS  20           2HG      LYS  20  23.875  -3.579   0.634
  159    HG3  LYS  20           3HG      LYS  20  22.424  -2.572   0.823
  160    HD2  LYS  20           2HD      LYS  20  23.651  -0.632  -0.099
  161    HD3  LYS  20           3HD      LYS  20  25.112  -1.643  -0.261
  162    HE2  LYS  20           2HE      LYS  20  23.872  -3.169  -1.778
  163    HE3  LYS  20           3HE      LYS  20  22.453  -2.118  -1.661
  164    HZ1  LYS  20           3HZ      LYS  20  25.091  -1.321  -2.700
  165    HZ2  LYS  20           1HZ      LYS  20  23.778  -1.653  -3.619
  166    HZ3  LYS  20           2HZ      LYS  20  23.763  -0.351  -2.612
  167    H    ALA  21           H        ALA  21  22.249  -5.001   2.274
  168    HA   ALA  21           HA       ALA  21  19.695  -3.763   2.958
  169    HB1  ALA  21           1HB      ALA  21  20.387  -6.446   1.701
  170    HB2  ALA  21           2HB      ALA  21  18.752  -5.766   1.849
  171    HB3  ALA  21           3HB      ALA  21  19.962  -4.952   0.830
  172    H    PHE  22           H        PHE  22  21.935  -5.984   4.469
  173    HA   PHE  22           HA       PHE  22  19.925  -7.255   6.144
  174    HB2  PHE  22           2HB      PHE  22  22.106  -8.324   5.600
  175    HB3  PHE  22           3HB      PHE  22  22.939  -7.054   6.487
  176    HD1  PHE  22           HD1      PHE  22  20.111  -9.506   6.985
  177    HD2  PHE  22           HD2      PHE  22  23.505  -7.502   8.713
  178    HE1  PHE  22           HE1      PHE  22  19.804 -10.787   9.067
  179    HE2  PHE  22           HE2      PHE  22  23.189  -8.794  10.809
  180    HZ   PHE  22           HZ       PHE  22  21.342 -10.436  10.990
  181    H    ASN  23           H        ASN  23  22.130  -4.450   6.338
  182    HA   ASN  23           HA       ASN  23  21.668  -3.763   9.072
  183    HB2  ASN  23           2HB      ASN  23  23.470  -2.742   7.863
  184    HB3  ASN  23           3HB      ASN  23  22.405  -2.262   6.543
  185   HD21  ASN  23          2HD2      ASN  23  21.320  -0.338   6.606
  186   HD22  ASN  23          1HD2      ASN  23  21.419   0.794   7.933
  187    H    LEU  24           H        LEU  24  19.950  -2.970   6.044
  188    HA   LEU  24           HA       LEU  24  17.972  -1.316   7.370
  189    HB2  LEU  24           2HB      LEU  24  18.067  -2.626   4.623
  190    HB3  LEU  24           3HB      LEU  24  16.857  -1.439   5.136
  191    HG   LEU  24           HG       LEU  24  19.867  -0.913   5.053
  192   HD11  LEU  24          1HD1      LEU  24  17.658  -0.091   3.129
  193   HD12  LEU  24          2HD1      LEU  24  19.360   0.417   3.039
  194   HD13  LEU  24          3HD1      LEU  24  18.926  -1.289   2.805
  195   HD21  LEU  24          3HD2      LEU  24  17.470   0.935   5.423
  196   HD22  LEU  24          1HD2      LEU  24  18.673   0.520   6.674
  197   HD23  LEU  24          2HD2      LEU  24  19.161   1.458   5.248
  198    H    LEU  25           H        LEU  25  18.385  -4.745   6.907
  199    HA   LEU  25           HA       LEU  25  15.536  -5.333   7.264
  200    HB2  LEU  25           2HB      LEU  25  16.937  -6.754   5.839
  201    HB3  LEU  25           3HB      LEU  25  18.027  -7.085   7.189
  202    HG   LEU  25           HG       LEU  25  16.206  -8.228   8.400
  203   HD11  LEU  25          1HD1      LEU  25  14.591  -7.715   5.860
  204   HD12  LEU  25          2HD1      LEU  25  14.109  -8.787   7.190
  205   HD13  LEU  25          3HD1      LEU  25  14.246  -7.039   7.471
  206   HD21  LEU  25          3HD2      LEU  25  16.643  -9.167   5.535
  207   HD22  LEU  25          1HD2      LEU  25  17.695  -9.502   6.934
  208   HD23  LEU  25          2HD2      LEU  25  16.052 -10.179   6.869
  209    H    VAL  26           H        VAL  26  18.556  -5.610   9.280
  210    HA   VAL  26           HA       VAL  26  17.098  -6.813  11.430
  211    HB   VAL  26           HB       VAL  26  19.021  -6.430  12.808
  212   HG11  VAL  26          1HG1      VAL  26  19.141  -8.257  11.180
  213   HG12  VAL  26          2HG1      VAL  26  19.885  -7.168   9.988
  214   HG13  VAL  26          3HG1      VAL  26  20.742  -7.548  11.497
  215   HG21  VAL  26          3HG2      VAL  26  20.988  -5.178  12.010
  216   HG22  VAL  26          1HG2      VAL  26  20.054  -4.625  10.594
  217   HG23  VAL  26          2HG2      VAL  26  19.569  -4.140  12.238
  218    H    VAL  27           H        VAL  27  17.444  -3.414  10.468
  219    HA   VAL  27           HA       VAL  27  16.864  -2.422  13.108
  220    HB   VAL  27           HB       VAL  27  18.010  -1.097  11.398
  221   HG11  VAL  27          1HG1      VAL  27  15.288  -0.948  10.030
  222   HG12  VAL  27          2HG1      VAL  27  16.744  -0.040   9.576
  223   HG13  VAL  27          3HG1      VAL  27  16.718  -1.812   9.424
  224   HG21  VAL  27          3HG2      VAL  27  15.378   0.148  12.290
  225   HG22  VAL  27          1HG2      VAL  27  16.844  -0.002  13.289
  226   HG23  VAL  27          2HG2      VAL  27  16.865   1.011  11.835
  227    H    ARG  28           H        ARG  28  14.831  -3.648  10.474
  228    HA   ARG  28           HA       ARG  28  12.350  -2.553  11.462
  229    HB2  ARG  28           2HB      ARG  28  12.778  -5.164   9.949
  230    HB3  ARG  28           3HB      ARG  28  11.309  -4.175  10.001
  231    HG2  ARG  28           2HG      ARG  28  12.542  -2.353   8.804
  232    HG3  ARG  28           3HG      ARG  28  13.969  -3.417   8.740
  233    HD2  ARG  28           2HD      ARG  28  12.862  -3.575   6.630
  234    HD3  ARG  28           3HD      ARG  28  12.627  -5.104   7.490
  235    HE   ARG  28           HE       ARG  28  10.361  -3.861   8.183
  236   HH11  ARG  28          1HH1      ARG  28  11.946  -3.989   5.016
  237   HH12  ARG  28          2HH1      ARG  28  10.441  -3.841   4.138
  238   HH21  ARG  28          1HH2      ARG  28   8.422  -3.689   6.996
  239   HH22  ARG  28          2HH2      ARG  28   8.465  -3.673   5.247
  240    H    TYR  29           H        TYR  29  14.353  -5.338  12.232
  241    HA   TYR  29           HA       TYR  29  12.276  -6.370  14.080
  242    HB2  TYR  29           2HB      TYR  29  14.799  -7.584  12.924
  243    HB3  TYR  29           3HB      TYR  29  13.781  -8.374  14.132
  244    HD1  TYR  29           HD2      TYR  29  13.887  -7.153  10.628
  245    HD2  TYR  29           HD1      TYR  29  11.667  -9.328  13.587
  246    HE1  TYR  29           HE2      TYR  29  12.327  -7.928   8.867
  247    HE2  TYR  29           HE1      TYR  29  10.121 -10.154  11.841
  248    HH   TYR  29           HH       TYR  29   9.569 -10.111   9.599
  249    H    GLN  30           H        GLN  30  15.016  -4.355  14.196
  250    HA   GLN  30           HA       GLN  30  16.354  -5.308  16.503
  251    HB2  GLN  30           2HB      GLN  30  17.213  -3.664  14.867
  252    HB3  GLN  30           3HB      GLN  30  16.041  -2.469  15.450
  253    HG2  GLN  30           2HG      GLN  30  17.097  -2.467  17.652
  254    HG3  GLN  30           3HG      GLN  30  18.185  -3.787  17.164
  255   HE21  GLN  30          2HE2      GLN  30  19.438  -3.278  15.010
  256   HE22  GLN  30          1HE2      GLN  30  20.131  -1.672  14.917
  257    H    HIS  31           H        HIS  31  13.385  -3.424  16.097
  258    HA   HIS  31           HA       HIS  31  13.211  -2.855  18.980
  259    HB2  HIS  31           2HB      HIS  31  11.275  -2.439  16.673
  260    HB3  HIS  31           3HB      HIS  31  11.024  -1.882  18.330
  261    HD2  HIS  31           HD2      HIS  31  12.863  -1.003  15.107
  262    HE1  HIS  31           HE1      HIS  31  13.970   1.985  17.923
  263    HE2  HIS  31           HE2      HIS  31  14.058   1.296  15.469
  264    H    LYS  32           H        LYS  32  11.982  -5.208  16.628
  265    HA   LYS  32           HA       LYS  32   9.917  -6.231  18.392
  266    HB2  LYS  32           2HB      LYS  32  11.172  -7.378  15.871
  267    HB3  LYS  32           3HB      LYS  32   9.714  -8.005  16.672
  268    HG2  LYS  32           2HG      LYS  32   8.558  -5.867  16.334
  269    HG3  LYS  32           3HG      LYS  32  10.005  -5.179  15.566
  270    HD2  LYS  32           2HD      LYS  32   9.879  -6.838  13.764
  271    HD3  LYS  32           3HD      LYS  32   8.491  -7.624  14.547
  272    HE2  LYS  32           2HE      LYS  32   7.745  -6.164  12.725
  273    HE3  LYS  32           3HE      LYS  32   7.155  -5.591  14.295
  274    HZ1  LYS  32           3HZ      LYS  32   9.518  -4.514  12.902
  275    HZ2  LYS  32           1HZ      LYS  32   8.030  -3.815  12.905
  276    HZ3  LYS  32           2HZ      LYS  32   8.876  -3.951  14.306
  277    H    VAL  33           H        VAL  33  13.269  -7.322  17.573
  278    HA   VAL  33           HA       VAL  33  12.893  -9.686  19.231
  279    HB   VAL  33           HB       VAL  33  15.138 -10.278  18.707
  280   HG11  VAL  33          1HG1      VAL  33  13.431 -10.627  16.962
  281   HG12  VAL  33          2HG1      VAL  33  13.824  -9.045  16.252
  282   HG13  VAL  33          3HG1      VAL  33  15.041 -10.339  16.260
  283   HG21  VAL  33          3HG2      VAL  33  16.282  -8.158  18.962
  284   HG22  VAL  33          1HG2      VAL  33  16.628  -8.842  17.362
  285   HG23  VAL  33          2HG2      VAL  33  15.471  -7.497  17.523
  286    H    ALA  34           H        ALA  34  14.118  -6.400  19.692
  287    HA   ALA  34           HA       ALA  34  15.552  -6.975  22.115
  288    HB1  ALA  34           1HB      ALA  34  14.229  -4.404  21.151
  289    HB2  ALA  34           2HB      ALA  34  15.405  -4.537  22.477
  290    HB3  ALA  34           3HB      ALA  34  15.906  -4.918  20.818
  291    H    SER  35           H        SER  35  12.154  -6.651  21.303
  292    HA   SER  35           HA       SER  35  11.251  -6.044  23.988
  293    HB2  SER  35           2HB      SER  35   9.998  -5.466  21.915
  294    HB3  SER  35           3HB      SER  35   9.758  -7.203  21.606
  295    HG   SER  35           HG       SER  35   7.998  -6.243  22.715
  296    H    LEU  36           H        LEU  36  11.496  -9.009  21.946
  297    HA   LEU  36           HA       LEU  36  10.341 -10.625  24.067
  298    HB2  LEU  36           2HB      LEU  36  10.569 -12.473  22.556
  299    HB3  LEU  36           3HB      LEU  36   9.948 -11.066  21.687
  300    HG   LEU  36           HG       LEU  36  12.450 -10.678  21.011
  301   HD11  LEU  36          1HD1      LEU  36  13.480 -12.466  22.435
  302   HD12  LEU  36          2HD1      LEU  36  12.455 -13.671  21.626
  303   HD13  LEU  36          3HD1      LEU  36  13.699 -12.792  20.711
  304   HD21  LEU  36          3HD2      LEU  36  10.801 -13.000  19.937
  305   HD22  LEU  36          1HD2      LEU  36  10.611 -11.290  19.484
  306   HD23  LEU  36          2HD2      LEU  36  12.106 -12.161  19.065
  307    H    VAL  37           H        VAL  37  13.596  -9.658  23.172
  308    HA   VAL  37           HA       VAL  37  14.745 -11.877  24.703
  309    HB   VAL  37           HB       VAL  37  15.651 -10.989  22.507
  310   HG11  VAL  37          1HG1      VAL  37  15.599  -8.546  23.370
  311   HG12  VAL  37          2HG1      VAL  37  17.095  -8.987  24.239
  312   HG13  VAL  37          3HG1      VAL  37  17.038  -9.098  22.468
  313   HG21  VAL  37          3HG2      VAL  37  17.569 -11.158  24.862
  314   HG22  VAL  37          1HG2      VAL  37  16.846 -12.554  24.008
  315   HG23  VAL  37          2HG2      VAL  37  17.951 -11.453  23.156
  316    H    SER  38           H        SER  38  13.751  -8.583  25.300
  317    HA   SER  38           HA       SER  38  15.419  -8.101  27.579
  318    HB2  SER  38           2HB      SER  38  14.128  -6.355  26.372
  319    HB3  SER  38           3HB      SER  38  12.622  -7.090  26.950
  320    HG   SER  38           HG       SER  38  13.338  -5.353  28.267
  321    H    ARG  39           H        ARG  39  12.995 -10.420  26.986
  322    HA   ARG  39           HA       ARG  39  12.122 -10.698  29.776
  323    HB2  ARG  39           2HB      ARG  39  11.673 -12.511  27.385
  324    HB3  ARG  39           3HB      ARG  39  10.807 -12.560  28.928
  325    HG2  ARG  39           2HG      ARG  39   9.928 -10.269  28.495
  326    HG3  ARG  39           3HG      ARG  39  10.744 -10.265  26.914
  327    HD2  ARG  39           2HD      ARG  39   8.612 -12.237  27.831
  328    HD3  ARG  39           3HD      ARG  39   8.375 -10.903  26.686
  329    HE   ARG  39           HE       ARG  39  10.492 -12.475  25.691
  330   HH11  ARG  39          1HH1      ARG  39   7.031 -12.813  26.337
  331   HH12  ARG  39          2HH1      ARG  39   6.798 -14.027  25.097
  332   HH21  ARG  39          1HH2      ARG  39  10.155 -14.063  24.082
  333   HH22  ARG  39          2HH2      ARG  39   8.558 -14.725  23.827
  334    H    TYR  40           H        TYR  40  14.908 -11.563  28.053
  335    HA   TYR  40           HA       TYR  40  15.338 -13.961  29.786
  336    HB2  TYR  40           2HB      TYR  40  16.292 -13.445  26.955
  337    HB3  TYR  40           3HB      TYR  40  16.751 -14.830  27.943
  338    HD1  TYR  40           HD2      TYR  40  14.824 -16.337  28.843
  339    HD2  TYR  40           HD1      TYR  40  14.388 -13.584  25.564
  340    HE1  TYR  40           HE2      TYR  40  12.802 -17.561  28.078
  341    HE2  TYR  40           HE1      TYR  40  12.378 -14.793  24.799
  342    HH   TYR  40           HH       TYR  40  10.947 -16.556  25.186
  343    H    VAL  41           H        VAL  41  16.460 -10.819  28.917
  344    HA   VAL  41           HA       VAL  41  18.685 -11.132  30.826
  345    HB   VAL  41           HB       VAL  41  20.112  -9.666  29.293
  346   HG11  VAL  41          1HG1      VAL  41  20.592 -12.042  29.742
  347   HG12  VAL  41          2HG1      VAL  41  19.566 -12.508  28.366
  348   HG13  VAL  41          3HG1      VAL  41  21.043 -11.562  28.091
  349   HG21  VAL  41          3HG2      VAL  41  18.269 -10.760  27.139
  350   HG22  VAL  41          1HG2      VAL  41  18.316  -9.065  27.680
  351   HG23  VAL  41          2HG2      VAL  41  19.740  -9.792  26.902
  352    HA   PRO  42           HA       PRO  42  17.083  -7.286  32.233
  353    HB2  PRO  42           2HB      PRO  42  19.267  -6.049  33.316
  354    HB3  PRO  42           3HB      PRO  42  18.546  -7.534  34.025
  355    HG2  PRO  42           2HG      PRO  42  20.894  -7.334  32.108
  356    HG3  PRO  42           3HG      PRO  42  20.829  -8.209  33.675
  357    HD2  PRO  42           2HD      PRO  42  20.400  -9.511  31.351
  358    HD3  PRO  42           3HD      PRO  42  19.388  -9.875  32.784
  359    H    SER  43           H        SER  43  17.269  -4.882  31.971
  360    HA   SER  43           HA       SER  43  17.471  -4.293  29.193
  361    HB2  SER  43           2HB      SER  43  16.894  -1.992  29.910
  362    HB3  SER  43           3HB      SER  43  15.853  -3.217  30.661
  363    HG   SER  43           HG       SER  43  16.635  -1.667  32.164
  364    H    GLY  44           H        GLY  44  19.950  -4.421  31.555
  365    HA2  GLY  44           2HA      GLY  44  21.602  -2.326  30.310
  366    HA3  GLY  44           3HA      GLY  44  22.035  -3.380  31.671
  367    H    ASP  45           H        ASP  45  21.014  -5.754  29.912
  368    HA   ASP  45           HA       ASP  45  23.501  -5.997  28.275
  369    HB2  ASP  45           2HB      ASP  45  21.949  -8.109  29.803
  370    HB3  ASP  45           3HB      ASP  45  23.323  -8.425  28.737
  371    H    VAL  46           H        VAL  46  20.165  -5.621  28.061
  372    HA   VAL  46           HA       VAL  46  19.556  -7.594  26.093
  373    HB   VAL  46           HB       VAL  46  17.949  -6.381  27.590
  374   HG11  VAL  46          1HG1      VAL  46  18.618  -4.048  27.188
  375   HG12  VAL  46          2HG1      VAL  46  18.139  -4.207  25.472
  376   HG13  VAL  46          3HG1      VAL  46  16.919  -4.336  26.749
  377   HG21  VAL  46          3HG2      VAL  46  17.396  -6.530  24.607
  378   HG22  VAL  46          1HG2      VAL  46  17.190  -7.810  25.837
  379   HG23  VAL  46          2HG2      VAL  46  16.158  -6.369  25.875
  380    HA   PRO  47           HA       PRO  47  20.297  -4.283  22.805
  381    HB2  PRO  47           2HB      PRO  47  22.222  -2.393  23.059
  382    HB3  PRO  47           3HB      PRO  47  20.598  -2.189  23.797
  383    HG2  PRO  47           2HG      PRO  47  23.126  -3.216  25.127
  384    HG3  PRO  47           3HG      PRO  47  22.042  -1.904  25.695
  385    HD2  PRO  47           2HD      PRO  47  21.836  -4.463  26.587
  386    HD3  PRO  47           3HD      PRO  47  20.384  -3.444  26.348
  387    H    ASP  48           H        ASP  48  22.983  -5.603  24.711
  388    HA   ASP  48           HA       ASP  48  24.762  -5.771  22.403
  389    HB2  ASP  48           2HB      ASP  48  25.534  -5.422  24.756
  390    HB3  ASP  48           3HB      ASP  48  24.953  -7.045  25.158
  391    H    VAL  49           H        VAL  49  22.440  -7.840  24.106
  392    HA   VAL  49           HA       VAL  49  23.266 -10.281  22.773
  393    HB   VAL  49           HB       VAL  49  20.817  -9.459  24.379
  394   HG11  VAL  49          1HG1      VAL  49  21.599 -12.223  23.377
  395   HG12  VAL  49          2HG1      VAL  49  20.280 -11.859  24.517
  396   HG13  VAL  49          3HG1      VAL  49  20.182 -11.284  22.841
  397   HG21  VAL  49          3HG2      VAL  49  23.003  -9.619  25.596
  398   HG22  VAL  49          1HG2      VAL  49  21.863 -10.887  26.107
  399   HG23  VAL  49          2HG2      VAL  49  23.191 -11.272  24.990
  400    H    VAL  50           H        VAL  50  21.059  -7.593  22.062
  401    HA   VAL  50           HA       VAL  50  19.706  -8.928  19.871
  402    HB   VAL  50           HB       VAL  50  20.086  -6.030  20.692
  403   HG11  VAL  50          1HG1      VAL  50  18.434  -7.156  18.388
  404   HG12  VAL  50          2HG1      VAL  50  18.335  -5.488  19.010
  405   HG13  VAL  50          3HG1      VAL  50  19.830  -6.066  18.246
  406   HG21  VAL  50          3HG2      VAL  50  17.650  -7.862  20.623
  407   HG22  VAL  50          1HG2      VAL  50  18.613  -7.517  22.073
  408   HG23  VAL  50          2HG2      VAL  50  17.716  -6.205  21.275
  409    H    GLN  51           H        GLN  51  22.695  -6.986  20.238
  410    HA   GLN  51           HA       GLN  51  23.152  -6.812  17.392
  411    HB2  GLN  51           2HB      GLN  51  24.117  -5.224  19.007
  412    HB3  GLN  51           3HB      GLN  51  25.069  -6.532  19.746
  413    HG2  GLN  51           2HG      GLN  51  26.283  -6.886  17.662
  414    HG3  GLN  51           3HG      GLN  51  25.272  -5.694  16.827
  415   HE21  GLN  51          2HE2      GLN  51  27.789  -5.103  16.500
  416   HE22  GLN  51          1HE2      GLN  51  28.359  -3.868  17.599
  417    H    GLU  52           H        GLU  52  24.292  -9.043  20.000
  418    HA   GLU  52           HA       GLU  52  25.996 -10.527  18.226
  419    HB2  GLU  52           2HB      GLU  52  26.224 -10.534  20.682
  420    HB3  GLU  52           3HB      GLU  52  24.659 -11.366  20.839
  421    HG2  GLU  52           2HG      GLU  52  25.503 -13.321  19.685
  422    HG3  GLU  52           3HG      GLU  52  26.994 -12.484  19.239
  423    H    ALA  53           H        ALA  53  22.515 -10.612  18.910
  424    HA   ALA  53           HA       ALA  53  22.124 -13.202  17.702
  425    HB1  ALA  53           1HB      ALA  53  20.554 -12.261  19.336
  426    HB2  ALA  53           2HB      ALA  53  20.179 -10.918  18.226
  427    HB3  ALA  53           3HB      ALA  53  19.742 -12.589  17.790
  428    H    PHE  54           H        PHE  54  22.389  -9.874  16.456
  429    HA   PHE  54           HA       PHE  54  21.339 -10.697  13.839
  430    HB2  PHE  54           2HB      PHE  54  22.592  -8.132  14.870
  431    HB3  PHE  54           3HB      PHE  54  22.063  -8.360  13.210
  432    HD1  PHE  54           HD1      PHE  54  19.502  -9.983  13.824
  433    HD2  PHE  54           HD2      PHE  54  21.117  -6.358  15.501
  434    HE1  PHE  54           HE1      PHE  54  17.230  -9.239  14.406
  435    HE2  PHE  54           HE2      PHE  54  18.820  -5.593  16.026
  436    HZ   PHE  54           HZ       PHE  54  16.875  -7.038  15.489
  437    H    ILE  55           H        ILE  55  24.514 -10.257  15.404
  438    HA   ILE  55           HA       ILE  55  26.004 -10.525  12.939
  439    HB   ILE  55           HB       ILE  55  26.741 -11.087  15.839
  440   HG12  ILE  55          2HG1      ILE  55  27.388  -8.679  14.063
  441   HG13  ILE  55          3HG1      ILE  55  26.096  -8.700  15.257
  442   HG21  ILE  55          1HG2      ILE  55  28.527 -10.786  13.385
  443   HG22  ILE  55          2HG2      ILE  55  29.088 -10.989  15.062
  444   HG23  ILE  55          3HG2      ILE  55  28.213 -12.301  14.271
  445   HD11  ILE  55          3HD1      ILE  55  28.061  -7.633  16.209
  446   HD12  ILE  55          1HD1      ILE  55  27.772  -9.175  17.048
  447   HD13  ILE  55          2HD1      ILE  55  29.072  -9.037  15.837
  448    H    LYS  56           H        LYS  56  24.668 -12.774  15.376
  449    HA   LYS  56           HA       LYS  56  25.871 -15.112  14.143
  450    HB2  LYS  56           2HB      LYS  56  25.322 -14.865  16.578
  451    HB3  LYS  56           3HB      LYS  56  23.599 -14.867  16.156
  452    HG2  LYS  56           2HG      LYS  56  23.825 -17.118  15.191
  453    HG3  LYS  56           3HG      LYS  56  25.585 -17.075  15.478
  454    HD2  LYS  56           2HD      LYS  56  24.599 -18.375  17.240
  455    HD3  LYS  56           3HD      LYS  56  25.113 -16.821  17.934
  456    HE2  LYS  56           2HE      LYS  56  22.804 -15.975  17.788
  457    HE3  LYS  56           3HE      LYS  56  22.285 -17.481  17.012
  458    HZ1  LYS  56           3HZ      LYS  56  21.815 -17.463  19.369
  459    HZ2  LYS  56           1HZ      LYS  56  22.892 -18.657  19.011
  460    HZ3  LYS  56           2HZ      LYS  56  23.406 -17.267  19.724
  461    H    ALA  57           H        ALA  57  22.745 -13.386  13.918
  462    HA   ALA  57           HA       ALA  57  21.385 -15.484  12.518
  463    HB1  ALA  57           1HB      ALA  57  20.964 -12.470  12.517
  464    HB2  ALA  57           2HB      ALA  57  19.839 -13.668  11.830
  465    HB3  ALA  57           3HB      ALA  57  20.161 -13.664  13.572
  466    H    TYR  58           H        TYR  58  23.446 -12.735  11.395
  467    HA   TYR  58           HA       TYR  58  22.826 -13.082   8.636
  468    HB2  TYR  58           2HB      TYR  58  23.885 -11.090   9.686
  469    HB3  TYR  58           3HB      TYR  58  25.352 -12.023   9.955
  470    HD1  TYR  58           HD1      TYR  58  23.033 -10.938   7.202
  471    HD2  TYR  58           HD2      TYR  58  27.020 -12.111   8.317
  472    HE1  TYR  58           HE1      TYR  58  23.848 -10.281   4.957
  473    HE2  TYR  58           HE2      TYR  58  27.841 -11.480   6.067
  474    HH   TYR  58           HH       TYR  58  25.661 -10.155   3.547
  475    H    ARG  59           H        ARG  59  25.279 -14.551  10.763
  476    HA   ARG  59           HA       ARG  59  26.692 -15.934   8.666
  477    HB2  ARG  59           2HB      ARG  59  26.542 -16.371  11.670
  478    HB3  ARG  59           3HB      ARG  59  27.658 -17.218  10.573
  479    HG2  ARG  59           2HG      ARG  59  28.724 -15.127   9.954
  480    HG3  ARG  59           3HG      ARG  59  27.492 -14.187  10.824
  481    HD2  ARG  59           2HD      ARG  59  29.428 -14.301  12.237
  482    HD3  ARG  59           3HD      ARG  59  28.173 -15.314  12.949
  483    HE   ARG  59           HE       ARG  59  29.445 -17.226  12.525
  484   HH11  ARG  59          1HH1      ARG  59  30.912 -14.440  10.916
  485   HH12  ARG  59          2HH1      ARG  59  32.390 -15.292  10.536
  486   HH21  ARG  59          1HH2      ARG  59  31.387 -18.308  12.023
  487   HH22  ARG  59          2HH2      ARG  59  32.667 -17.460  11.186
  488    H    ALA  60           H        ALA  60  23.675 -16.486  10.298
  489    HA   ALA  60           HA       ALA  60  23.605 -19.318   9.392
  490    HB1  ALA  60           1HB      ALA  60  21.788 -17.769  11.277
  491    HB2  ALA  60           2HB      ALA  60  21.688 -19.508  10.903
  492    HB3  ALA  60           3HB      ALA  60  23.102 -18.859  11.768
  493    H    LEU  61           H        LEU  61  22.655 -16.181   8.423
  494    HA   LEU  61           HA       LEU  61  20.087 -16.842   7.289
  495    HB2  LEU  61           2HB      LEU  61  20.918 -14.557   8.085
  496    HB3  LEU  61           3HB      LEU  61  21.939 -14.519   6.633
  497    HG   LEU  61           HG       LEU  61  19.831 -14.781   5.256
  498   HD11  LEU  61          1HD1      LEU  61  18.555 -14.358   7.989
  499   HD12  LEU  61          2HD1      LEU  61  17.688 -14.234   6.438
  500   HD13  LEU  61          3HD1      LEU  61  18.356 -15.794   6.957
  501   HD21  LEU  61          3HD2      LEU  61  20.881 -12.598   5.694
  502   HD22  LEU  61          1HD2      LEU  61  19.103 -12.449   5.636
  503   HD23  LEU  61          2HD2      LEU  61  19.942 -12.440   7.203
  504    H    ASP  62           H        ASP  62  23.433 -17.036   6.275
  505    HA   ASP  62           HA       ASP  62  22.981 -17.280   3.452
  506    HB2  ASP  62           2HB      ASP  62  25.157 -16.754   4.520
  507    HB3  ASP  62           3HB      ASP  62  25.199 -18.379   5.222
  508    H    SER  63           H        SER  63  22.074 -19.259   6.060
  509    HA   SER  63           HA       SER  63  21.963 -21.706   4.369
  510    HB2  SER  63           2HB      SER  63  21.950 -21.404   7.393
  511    HB3  SER  63           3HB      SER  63  21.888 -22.934   6.482
  512    HG   SER  63           HG       SER  63  24.007 -22.384   7.155
  513    H    PHE  64           H        PHE  64  20.038 -19.149   5.148
  514    HA   PHE  64           HA       PHE  64  17.644 -20.489   6.046
  515    HB2  PHE  64           2HB      PHE  64  18.117 -18.094   6.386
  516    HB3  PHE  64           3HB      PHE  64  18.060 -17.832   4.640
  517    HD1  PHE  64           HD1      PHE  64  15.955 -19.257   7.418
  518    HD2  PHE  64           HD2      PHE  64  16.065 -17.074   3.717
  519    HE1  PHE  64           HE1      PHE  64  13.519 -18.843   7.596
  520    HE2  PHE  64           HE2      PHE  64  13.625 -16.655   3.897
  521    HZ   PHE  64           HZ       PHE  64  12.347 -17.539   5.832
  522    H    ARG  65           H        ARG  65  15.815 -21.115   4.843
  523    HA   ARG  65           HA       ARG  65  16.209 -21.336   1.902
  524    HB2  ARG  65           2HB      ARG  65  15.419 -23.548   3.830
  525    HB3  ARG  65           3HB      ARG  65  15.327 -23.680   2.069
  526    HG2  ARG  65           2HG      ARG  65  17.867 -23.185   3.674
  527    HG3  ARG  65           3HG      ARG  65  17.367 -24.737   2.988
  528    HD2  ARG  65           2HD      ARG  65  17.970 -22.216   1.390
  529    HD3  ARG  65           3HD      ARG  65  19.051 -23.604   1.582
  530    HE   ARG  65           HE       ARG  65  16.686 -24.683   0.597
  531   HH11  ARG  65          1HH1      ARG  65  18.997 -22.238  -0.470
  532   HH12  ARG  65          2HH1      ARG  65  18.696 -22.520  -2.170
  533   HH21  ARG  65          1HH2      ARG  65  16.311 -25.042  -1.627
  534   HH22  ARG  65          2HH2      ARG  65  17.192 -24.118  -2.820
  535    H    GLY  66           H        GLY  66  14.222 -20.166   4.316
  536    HA2  GLY  66           2HA      GLY  66  12.137 -19.224   4.123
  537    HA3  GLY  66           3HA      GLY  66  12.087 -19.732   2.430
  538    H    ASP  67           H        ASP  67  12.710 -22.329   4.671
  539    HA   ASP  67           HA       ASP  67  10.186 -23.590   4.073
  540    HB2  ASP  67           2HB      ASP  67  12.353 -24.223   6.116
  541    HB3  ASP  67           3HB      ASP  67  10.963 -25.263   5.771
  542    H    SER  68           H        SER  68  11.004 -21.125   6.222
  543    HA   SER  68           HA       SER  68   8.377 -21.301   7.546
  544    HB2  SER  68           2HB      SER  68   9.369 -20.864   9.762
  545    HB3  SER  68           3HB      SER  68   9.893 -22.438   9.122
  546    HG   SER  68           HG       SER  68  11.633 -21.243   9.976
  547    H    ALA  69           H        ALA  69   7.945 -19.152   8.717
  548    HA   ALA  69           HA       ALA  69   8.588 -17.007   6.916
  549    HB1  ALA  69           1HB      ALA  69   6.465 -17.128   8.172
  550    HB2  ALA  69           2HB      ALA  69   7.364 -16.949   9.700
  551    HB3  ALA  69           3HB      ALA  69   7.340 -15.620   8.520
  552    H    PHE  70           H        PHE  70   9.863 -15.115   7.283
  553    HA   PHE  70           HA       PHE  70  12.389 -15.753   8.439
  554    HB2  PHE  70           2HB      PHE  70  12.185 -14.248   6.547
  555    HB3  PHE  70           3HB      PHE  70  11.206 -13.121   7.497
  556    HD1  PHE  70           HD2      PHE  70  14.567 -14.816   7.650
  557    HD2  PHE  70           HD1      PHE  70  12.238 -11.301   8.482
  558    HE1  PHE  70           HE2      PHE  70  16.597 -13.662   8.459
  559    HE2  PHE  70           HE1      PHE  70  14.282 -10.133   9.266
  560    HZ   PHE  70           HZ       PHE  70  16.471 -11.312   9.239
  561    H    TYR  71           H        TYR  71   9.568 -13.925   9.711
  562    HA   TYR  71           HA       TYR  71  11.095 -12.751  11.839
  563    HB2  TYR  71           2HB      TYR  71   8.978 -12.100  12.780
  564    HB3  TYR  71           3HB      TYR  71   8.974 -11.811  11.041
  565    HD1  TYR  71           HD1      TYR  71   7.631 -13.895  13.776
  566    HD2  TYR  71           HD2      TYR  71   7.448 -13.003   9.574
  567    HE1  TYR  71           HE1      TYR  71   5.508 -15.170  13.604
  568    HE2  TYR  71           HE2      TYR  71   5.325 -14.281   9.392
  569    HH   TYR  71           HH       TYR  71   3.826 -15.886  12.223
  570    H    THR  72           H        THR  72   9.259 -15.816  11.527
  571    HA   THR  72           HA       THR  72   9.481 -16.488  14.326
  572    HB   THR  72           HB       THR  72   9.155 -18.324  11.914
  573    HG1  THR  72           1HG      THR  72   7.211 -16.983  13.480
  574   HG21  THR  72          1HG2      THR  72   8.378 -18.619  14.848
  575   HG22  THR  72          2HG2      THR  72   7.939 -19.753  13.545
  576   HG23  THR  72          3HG2      THR  72   9.643 -19.524  13.992
  577    H    TRP  73           H        TRP  73  11.469 -16.940  11.433
  578    HA   TRP  73           HA       TRP  73  13.312 -18.809  12.635
  579    HB2  TRP  73           2HB      TRP  73  12.903 -18.724  10.233
  580    HB3  TRP  73           3HB      TRP  73  13.415 -17.037  10.176
  581    HD1  TRP  73           HD1      TRP  73  14.749 -20.548  10.117
  582    HE1  TRP  73           HE1      TRP  73  17.279 -20.546   9.738
  583    HE3  TRP  73           HE3      TRP  73  15.630 -15.538  10.622
  584    HZ2  TRP  73           HZ2      TRP  73  19.438 -18.635   9.807
  585    HZ3  TRP  73           HZ3      TRP  73  17.939 -14.661  10.447
  586    HH2  TRP  73           HH2      TRP  73  19.841 -16.196  10.094
  587    H    LEU  74           H        LEU  74  13.056 -15.271  12.486
  588    HA   LEU  74           HA       LEU  74  15.831 -14.903  13.334
  589    HB2  LEU  74           2HB      LEU  74  14.737 -13.386  11.729
  590    HB3  LEU  74           3HB      LEU  74  13.528 -12.960  12.944
  591    HG   LEU  74           HG       LEU  74  15.318 -12.010  14.392
  592   HD11  LEU  74          1HD1      LEU  74  17.573 -11.644  13.423
  593   HD12  LEU  74          2HD1      LEU  74  17.237 -13.374  13.635
  594   HD13  LEU  74          3HD1      LEU  74  17.133 -12.648  12.019
  595   HD21  LEU  74          3HD2      LEU  74  15.773 -10.044  12.978
  596   HD22  LEU  74          1HD2      LEU  74  15.306 -10.969  11.534
  597   HD23  LEU  74          2HD2      LEU  74  14.097 -10.608  12.785
  598    H    TYR  75           H        TYR  75  12.558 -14.819  14.775
  599    HA   TYR  75           HA       TYR  75  13.301 -13.583  17.239
  600    HB2  TYR  75           2HB      TYR  75  11.134 -15.601  16.571
  601    HB3  TYR  75           3HB      TYR  75  11.273 -14.787  18.125
  602    HD1  TYR  75           HD1      TYR  75  12.225 -12.290  15.862
  603    HD2  TYR  75           HD2      TYR  75   8.777 -14.538  17.132
  604    HE1  TYR  75           HE1      TYR  75  10.749 -10.465  15.093
  605    HE2  TYR  75           HE2      TYR  75   7.292 -12.717  16.335
  606    HH   TYR  75           HH       TYR  75   8.593  -9.725  14.853
  607    H    ARG  76           H        ARG  76  13.532 -16.967  16.085
  608    HA   ARG  76           HA       ARG  76  14.119 -17.954  18.736
  609    HB2  ARG  76           2HB      ARG  76  14.554 -20.072  17.702
  610    HB3  ARG  76           3HB      ARG  76  13.077 -19.367  17.027
  611    HG2  ARG  76           2HG      ARG  76  14.294 -18.656  15.021
  612    HG3  ARG  76           3HG      ARG  76  15.822 -19.269  15.703
  613    HD2  ARG  76           2HD      ARG  76  14.780 -21.542  15.833
  614    HD3  ARG  76           3HD      ARG  76  13.352 -20.898  14.990
  615    HE   ARG  76           HE       ARG  76  15.572 -20.226  13.417
  616   HH11  ARG  76          1HH1      ARG  76  13.970 -23.166  14.555
  617   HH12  ARG  76          2HH1      ARG  76  14.502 -24.126  13.194
  618   HH21  ARG  76          1HH2      ARG  76  16.261 -21.502  11.666
  619   HH22  ARG  76          2HH2      ARG  76  15.788 -23.184  11.557
  620    H    ILE  77           H        ILE  77  16.086 -16.441  16.223
  621    HA   ILE  77           HA       ILE  77  18.586 -17.542  17.150
  622    HB   ILE  77           HB       ILE  77  18.136 -14.819  15.870
  623   HG12  ILE  77          2HG1      ILE  77  17.127 -16.462  14.392
  624   HG13  ILE  77          3HG1      ILE  77  18.623 -15.834  13.709
  625   HG21  ILE  77          1HG2      ILE  77  20.348 -15.082  16.837
  626   HG22  ILE  77          2HG2      ILE  77  20.541 -16.676  16.081
  627   HG23  ILE  77          3HG2      ILE  77  20.491 -15.216  15.076
  628   HD11  ILE  77          3HD1      ILE  77  19.822 -17.889  14.378
  629   HD12  ILE  77          1HD1      ILE  77  18.316 -18.527  15.107
  630   HD13  ILE  77          2HD1      ILE  77  18.418 -18.252  13.356
  631    H    ALA  78           H        ALA  78  16.576 -14.724  18.069
  632    HA   ALA  78           HA       ALA  78  18.646 -13.536  19.671
  633    HB1  ALA  78           1HB      ALA  78  15.645 -13.042  19.551
  634    HB2  ALA  78           2HB      ALA  78  16.843 -11.980  20.336
  635    HB3  ALA  78           3HB      ALA  78  16.887 -12.228  18.574
  636    H    VAL  79           H        VAL  79  15.911 -15.752  20.446
  637    HA   VAL  79           HA       VAL  79  16.290 -15.351  23.300
  638    HB   VAL  79           HB       VAL  79  14.128 -15.966  22.442
  639   HG11  VAL  79          1HG1      VAL  79  14.851 -17.333  20.513
  640   HG12  VAL  79          2HG1      VAL  79  15.384 -18.623  21.632
  641   HG13  VAL  79          3HG1      VAL  79  13.664 -18.189  21.519
  642   HG21  VAL  79          3HG2      VAL  79  14.828 -16.711  24.734
  643   HG22  VAL  79          1HG2      VAL  79  13.596 -17.765  24.002
  644   HG23  VAL  79          2HG2      VAL  79  15.293 -18.282  24.052
  645    H    ASN  80           H        ASN  80  17.617 -17.599  20.863
  646    HA   ASN  80           HA       ASN  80  18.851 -19.264  22.924
  647    HB2  ASN  80           2HB      ASN  80  19.049 -19.116  19.907
  648    HB3  ASN  80           3HB      ASN  80  20.127 -20.140  20.874
  649   HD21  ASN  80          2HD2      ASN  80  16.836 -19.733  19.701
  650   HD22  ASN  80          1HD2      ASN  80  16.241 -21.273  20.297
  651    H    THR  81           H        THR  81  19.626 -16.225  21.362
  652    HA   THR  81           HA       THR  81  22.481 -16.441  21.929
  653    HB   THR  81           HB       THR  81  20.777 -13.996  21.290
  654    HG1  THR  81           1HG      THR  81  20.716 -15.419  19.594
  655   HG21  THR  81          1HG2      THR  81  22.938 -13.024  20.577
  656   HG22  THR  81          2HG2      THR  81  22.999 -13.449  22.297
  657   HG23  THR  81          3HG2      THR  81  23.783 -14.500  21.097
  658    H    ALA  82           H        ALA  82  19.559 -15.287  23.605
  659    HA   ALA  82           HA       ALA  82  21.009 -13.838  25.644
  660    HB1  ALA  82           1HB      ALA  82  18.682 -13.337  24.990
  661    HB2  ALA  82           2HB      ALA  82  18.163 -14.942  25.559
  662    HB3  ALA  82           3HB      ALA  82  18.784 -13.746  26.718
  663    H    LYS  83           H        LYS  83  19.737 -17.164  25.296
  664    HA   LYS  83           HA       LYS  83  20.331 -17.847  28.066
  665    HB2  LYS  83           2HB      LYS  83  19.582 -19.492  25.620
  666    HB3  LYS  83           3HB      LYS  83  19.788 -20.165  27.251
  667    HG2  LYS  83           2HG      LYS  83  18.039 -18.700  28.128
  668    HG3  LYS  83           3HG      LYS  83  17.842 -17.916  26.552
  669    HD2  LYS  83           2HD      LYS  83  17.153 -20.051  25.543
  670    HD3  LYS  83           3HD      LYS  83  17.366 -20.876  27.104
  671    HE2  LYS  83           2HE      LYS  83  15.456 -18.557  26.609
  672    HE3  LYS  83           3HE      LYS  83  14.986 -20.266  26.590
  673    HZ1  LYS  83           3HZ      LYS  83  16.130 -18.850  28.903
  674    HZ2  LYS  83           1HZ      LYS  83  14.556 -19.289  28.722
  675    HZ3  LYS  83           2HZ      LYS  83  15.717 -20.440  28.864
  676    H    ASN  84           H        ASN  84  22.092 -17.830  25.015
  677    HA   ASN  84           HA       ASN  84  24.253 -19.476  26.126
  678    HB2  ASN  84           2HB      ASN  84  23.659 -19.692  23.790
  679    HB3  ASN  84           3HB      ASN  84  23.972 -17.963  23.511
  680   HD21  ASN  84          2HD2      ASN  84  26.071 -17.272  23.122
  681   HD22  ASN  84          1HD2      ASN  84  27.449 -18.350  23.121
  682    H    TYR  85           H        TYR  85  23.328 -16.113  26.062
  683    HA   TYR  85           HA       TYR  85  26.018 -15.061  26.372
  684    HB2  TYR  85           2HB      TYR  85  24.148 -13.795  25.361
  685    HB3  TYR  85           3HB      TYR  85  23.274 -13.855  26.894
  686    HD1  TYR  85           HD1      TYR  85  26.303 -12.543  25.199
  687    HD2  TYR  85           HD2      TYR  85  23.706 -12.266  28.611
  688    HE1  TYR  85           HE1      TYR  85  27.407 -10.422  25.850
  689    HE2  TYR  85           HE2      TYR  85  24.800 -10.137  29.277
  690    HH   TYR  85           HH       TYR  85  27.463  -8.690  27.358
  691    H    LEU  86           H        LEU  86  23.341 -16.017  28.523
  692    HA   LEU  86           HA       LEU  86  24.737 -15.021  30.896
  693    HB2  LEU  86           2HB      LEU  86  22.213 -16.679  30.533
  694    HB3  LEU  86           3HB      LEU  86  22.812 -16.085  32.087
  695    HG   LEU  86           HG       LEU  86  21.973 -14.331  29.736
  696   HD11  LEU  86          1HD1      LEU  86  20.098 -15.455  30.862
  697   HD12  LEU  86          2HD1      LEU  86  20.706 -14.917  32.447
  698   HD13  LEU  86          3HD1      LEU  86  20.121 -13.723  31.268
  699   HD21  LEU  86          3HD2      LEU  86  22.903 -13.646  32.560
  700   HD22  LEU  86          1HD2      LEU  86  23.745 -13.239  31.044
  701   HD23  LEU  86          2HD2      LEU  86  22.182 -12.491  31.415
  702    H    VAL  87           H        VAL  87  24.547 -18.113  29.160
  703    HA   VAL  87           HA       VAL  87  25.578 -19.593  31.458
  704    HB   VAL  87           HB       VAL  87  24.103 -20.527  29.626
  705   HG11  VAL  87          1HG1      VAL  87  26.721 -20.660  28.065
  706   HG12  VAL  87          2HG1      VAL  87  25.126 -21.254  27.556
  707   HG13  VAL  87          3HG1      VAL  87  25.410 -19.505  27.734
  708   HG21  VAL  87          3HG2      VAL  87  26.754 -21.952  30.112
  709   HG22  VAL  87          1HG2      VAL  87  25.346 -21.978  31.199
  710   HG23  VAL  87          2HG2      VAL  87  25.232 -22.703  29.576
  711    H    ALA  88           H        ALA  88  26.888 -17.806  28.703
  712    HA   ALA  88           HA       ALA  88  29.503 -19.012  28.872
  713    HB1  ALA  88           1HB      ALA  88  28.547 -16.421  27.576
  714    HB2  ALA  88           2HB      ALA  88  30.123 -17.191  27.298
  715    HB3  ALA  88           3HB      ALA  88  28.631 -18.016  26.785
  716    H    GLN  89           H        GLN  89  27.839 -16.572  30.667
  717    HA   GLN  89           HA       GLN  89  30.421 -15.633  31.837
  718    HB2  GLN  89           2HB      GLN  89  27.659 -14.359  31.760
  719    HB3  GLN  89           3HB      GLN  89  29.060 -13.696  32.631
  720    HG2  GLN  89           2HG      GLN  89  30.322 -13.495  30.545
  721    HG3  GLN  89           3HG      GLN  89  28.998 -14.254  29.637
  722   HE21  GLN  89          2HE2      GLN  89  26.949 -13.136  29.458
  723   HE22  GLN  89          1HE2      GLN  89  26.891 -11.393  29.582
  724    H    GLY  90           H        GLY  90  27.787 -17.716  32.352
  725    HA2  GLY  90           2HA      GLY  90  27.835 -17.463  35.295
  726    HA3  GLY  90           3HA      GLY  90  26.770 -18.488  34.316
  727    H    ARG  91           H        ARG  91  29.446 -19.264  32.787
  728    HA   ARG  91           HA       ARG  91  30.244 -21.340  34.790
  729    HB2  ARG  91           2HB      ARG  91  30.302 -21.422  31.752
  730    HB3  ARG  91           3HB      ARG  91  30.881 -22.693  32.828
  731    HG2  ARG  91           2HG      ARG  91  28.004 -21.722  32.551
  732    HG3  ARG  91           3HG      ARG  91  28.662 -23.272  32.011
  733    HD2  ARG  91           2HD      ARG  91  28.343 -22.311  34.878
  734    HD3  ARG  91           3HD      ARG  91  27.443 -23.604  34.074
  735    HE   ARG  91           HE       ARG  91  30.205 -24.247  33.933
  736   HH11  ARG  91          1HH1      ARG  91  27.611 -23.965  36.324
  737   HH12  ARG  91          2HH1      ARG  91  28.347 -25.113  37.421
  738   HH21  ARG  91          1HH2      ARG  91  31.153 -25.720  35.419
  739   HH22  ARG  91          2HH2      ARG  91  30.341 -26.069  36.926
  740    H    ARG  92           H        ARG  92  31.407 -18.607  33.010
  741    HA   ARG  92           HA       ARG  92  34.188 -19.621  33.140
  742    HB2  ARG  92           2HB      ARG  92  33.008 -17.147  31.825
  743    HB3  ARG  92           3HB      ARG  92  34.731 -17.574  31.846
  744    HG2  ARG  92           2HG      ARG  92  34.189 -19.747  30.743
  745    HG3  ARG  92           3HG      ARG  92  32.492 -19.246  30.630
  746    HD2  ARG  92           2HD      ARG  92  33.600 -18.784  28.510
  747    HD3  ARG  92           3HD      ARG  92  33.192 -17.256  29.296
  748    HE   ARG  92           HE       ARG  92  35.447 -16.773  29.557
  749   HH11  ARG  92          1HH1      ARG  92  35.077 -20.138  28.527
  750   HH12  ARG  92          2HH1      ARG  92  36.788 -20.347  28.222
  751   HH21  ARG  92          1HH2      ARG  92  37.659 -17.081  29.148
  752   HH22  ARG  92          2HH2      ARG  92  38.240 -18.625  28.564
  753    H    LEU  93           H        LEU  93  35.585 -19.031  34.573
  754    HA   LEU  93           HA       LEU  93  36.479 -18.136  36.465
  755    HB2  LEU  93           2HB      LEU  93  35.458 -15.621  35.112
  756    HB3  LEU  93           3HB      LEU  93  36.460 -15.611  36.563
  757    HG   LEU  93           HG       LEU  93  38.238 -16.858  35.357
  758   HD11  LEU  93          1HD1      LEU  93  36.463 -16.353  32.932
  759   HD12  LEU  93          2HD1      LEU  93  38.184 -16.786  32.850
  760   HD13  LEU  93          3HD1      LEU  93  37.028 -17.937  33.533
  761   HD21  LEU  93          3HD2      LEU  93  37.327 -14.248  34.076
  762   HD22  LEU  93          1HD2      LEU  93  38.241 -14.397  35.591
  763   HD23  LEU  93          2HD2      LEU  93  38.985 -14.900  34.059
  764    H    GLU  94           H        GLU  94  33.824 -19.226  36.807
  765    HA   GLU  94           HA       GLU  94  32.975 -17.603  39.149
  766    HB2  GLU  94           2HB      GLU  94  31.383 -17.385  37.249
  767    HB3  GLU  94           3HB      GLU  94  31.171 -19.144  37.249
  768    HG2  GLU  94           2HG      GLU  94  29.345 -18.058  38.460
  769    HG3  GLU  94           3HG      GLU  94  30.312 -19.044  39.567
  770    H    LEU  95           H        LEU  95  32.350 -18.726  40.954
  771    HA   LEU  95           HA       LEU  95  33.501 -21.444  41.132
  772    HB2  LEU  95           2HB      LEU  95  32.941 -19.288  43.195
  773    HB3  LEU  95           3HB      LEU  95  33.376 -20.950  43.621
  774    HG   LEU  95           HG       LEU  95  35.493 -20.755  42.368
  775   HD11  LEU  95          1HD1      LEU  95  34.656 -17.839  42.060
  776   HD12  LEU  95          2HD1      LEU  95  36.317 -18.431  41.850
  777   HD13  LEU  95          3HD1      LEU  95  35.049 -18.983  40.751
  778   HD21  LEU  95          3HD2      LEU  95  35.006 -18.613  44.475
  779   HD22  LEU  95          1HD2      LEU  95  35.333 -20.334  44.798
  780   HD23  LEU  95          2HD2      LEU  95  36.579 -19.316  44.046
  781    H    VAL  96           H        VAL  96  31.124 -21.567  39.839
  782    HA   VAL  96           HA       VAL  96  28.810 -21.769  41.450
  783    HB   VAL  96           HB       VAL  96  29.475 -23.397  38.968
  784   HG11  VAL  96          1HG1      VAL  96  26.825 -22.432  40.132
  785   HG12  VAL  96          2HG1      VAL  96  27.026 -23.335  38.618
  786   HG13  VAL  96          3HG1      VAL  96  27.414 -24.112  40.163
  787   HG21  VAL  96          3HG2      VAL  96  29.859 -21.019  38.502
  788   HG22  VAL  96          1HG2      VAL  96  28.361 -21.557  37.725
  789   HG23  VAL  96          2HG2      VAL  96  28.286 -20.607  39.227
  790    HA   PRO  97           HA       PRO  97  29.893 -25.403  43.770
  791    HB2  PRO  97           2HB      PRO  97  27.564 -25.843  45.100
  792    HB3  PRO  97           3HB      PRO  97  28.554 -24.373  45.385
  793    HG2  PRO  97           2HG      PRO  97  26.165 -24.660  43.527
  794    HG3  PRO  97           3HG      PRO  97  26.417 -23.430  44.812
  795    HD2  PRO  97           2HD      PRO  97  27.041 -22.926  42.210
  796    HD3  PRO  97           3HD      PRO  97  28.068 -22.315  43.543
  797    H    ARG  98           H        ARG  98  28.208 -25.491  40.945
  798    HA   ARG  98           HA       ARG  98  27.851 -28.430  41.092
  799    HB2  ARG  98           2HB      ARG  98  25.650 -27.337  41.540
  800    HB3  ARG  98           3HB      ARG  98  25.776 -26.490  39.992
  801    HG2  ARG  98           2HG      ARG  98  25.781 -28.667  38.797
  802    HG3  ARG  98           3HG      ARG  98  25.759 -29.522  40.351
  803    HD2  ARG  98           2HD      ARG  98  23.504 -29.456  39.420
  804    HD3  ARG  98           3HD      ARG  98  23.573 -28.477  40.885
  805    HE   ARG  98           HE       ARG  98  23.224 -26.537  39.626
  806   HH11  ARG  98          1HH1      ARG  98  23.787 -29.288  37.475
  807   HH12  ARG  98          2HH1      ARG  98  23.296 -28.417  36.042
  808   HH21  ARG  98          1HH2      ARG  98  22.585 -25.429  37.751
  809   HH22  ARG  98          2HH2      ARG  98  22.600 -26.242  36.202
  810    H    GLY  99           H        GLY  99  28.099 -29.494  39.119
  811    HA2  GLY  99           2HA      GLY  99  28.762 -29.822  36.943
  812    HA3  GLY  99           3HA      GLY  99  28.619 -28.088  36.632
  813    H    SER 100           H        SER 100  30.744 -29.847  35.733
  814    HA   SER 100           HA       SER 100  33.043 -28.337  36.743
  815    HB2  SER 100           2HB      SER 100  34.332 -30.359  37.297
  816    HB3  SER 100           3HB      SER 100  32.918 -30.192  38.351
  817    HG   SER 100           HG       SER 100  31.837 -31.702  37.055
  818    H    HIS 101           H        HIS 101  35.085 -29.129  35.539
  819    HA   HIS 101           HA       HIS 101  34.354 -29.771  32.717
  820    HB2  HIS 101           2HB      HIS 101  36.695 -28.172  33.797
  821    HB3  HIS 101           3HB      HIS 101  36.364 -28.517  32.096
  822    HD2  HIS 101           HD2      HIS 101  34.072 -27.356  31.039
  823    HE1  HIS 101           HE1      HIS 101  33.788 -24.318  34.003
  824    HE2  HIS 101           HE2      HIS 101  32.965 -25.080  31.716
  825    H    HIS 102           H        HIS 102  35.917 -31.033  31.495
  826    HA   HIS 102           HA       HIS 102  37.900 -32.562  33.031
  827    HB2  HIS 102           2HB      HIS 102  35.678 -33.721  33.321
  828    HB3  HIS 102           3HB      HIS 102  35.622 -33.951  31.570
  829    HD2  HIS 102           HD2      HIS 102  38.077 -34.751  34.516
  830    HE1  HIS 102           HE1      HIS 102  38.261 -37.999  31.773
  831    HE2  HIS 102           HE2      HIS 102  39.112 -37.108  34.006
  832    H    HIS 103           H        HIS 103  39.067 -34.136  31.519
  833    HA   HIS 103           HA       HIS 103  39.680 -32.623  29.063
  834    HB2  HIS 103           2HB      HIS 103  41.172 -34.868  30.456
  835    HB3  HIS 103           3HB      HIS 103  41.756 -33.937  29.069
  836    HD2  HIS 103           HD2      HIS 103  41.705 -33.914  32.811
  837    HE1  HIS 103           HE1      HIS 103  42.928 -29.989  31.721
  838    HE2  HIS 103           HE2      HIS 103  42.717 -31.643  33.646
  839    H    HIS 104           H        HIS 104  37.500 -34.960  29.676
  840    HA   HIS 104           HA       HIS 104  37.812 -36.120  26.963
  841    HB2  HIS 104           2HB      HIS 104  38.781 -37.671  28.678
  842    HB3  HIS 104           3HB      HIS 104  37.194 -37.744  29.455
  843    HD2  HIS 104           HD2      HIS 104  35.894 -39.855  28.777
  844    HE1  HIS 104           HE1      HIS 104  37.351 -40.408  24.823
  845    HE2  HIS 104           HE2      HIS 104  35.806 -41.338  26.620
  846    H    HIS 105           H        HIS 105  35.761 -37.176  26.224
  847    HA   HIS 105           HA       HIS 105  33.538 -35.390  26.868
  848    HB2  HIS 105           2HB      HIS 105  32.456 -36.383  24.957
  849    HB3  HIS 105           3HB      HIS 105  34.112 -35.929  24.548
  850    HD2  HIS 105           HD2      HIS 105  35.664 -37.786  23.579
  851    HE1  HIS 105           HE1      HIS 105  33.170 -41.168  24.230
  852    HE2  HIS 105           HE2      HIS 105  35.322 -40.348  23.151
  853    H    HIS 106           H        HIS 106  31.294 -36.333  27.025
  854    HA   HIS 106           HA       HIS 106  31.140 -38.900  28.478
  855    HB2  HIS 106           2HB      HIS 106  31.573 -37.195  30.215
  856    HB3  HIS 106           3HB      HIS 106  30.210 -36.237  29.621
  857    HD2  HIS 106           HD2      HIS 106  30.781 -39.878  30.960
  858    HE1  HIS 106           HE1      HIS 106  27.004 -38.541  32.387
  859    HE2  HIS 106           HE2      HIS 106  28.684 -40.458  32.419
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   5.136   6.018   6.667
    2    H2   MET   1           H2       MET   1   4.630   7.074   5.517
    3    H3   MET   1           H3       MET   1   5.859   7.493   6.529
    4    HA   MET   1           HA       MET   1   6.712   6.953   4.369
    5    HB2  MET   1           2HB      MET   1   7.382   4.899   6.511
    6    HB3  MET   1           3HB      MET   1   8.336   5.205   5.048
    7    HG2  MET   1           2HG      MET   1   7.762   7.203   7.270
    8    HG3  MET   1           3HG      MET   1   9.288   6.369   6.985
    9    HE1  MET   1           1HE      MET   1   9.051   9.497   7.379
   10    HE2  MET   1           2HE      MET   1  10.578   8.622   7.089
   11    HE3  MET   1           3HE      MET   1  10.182  10.062   6.126
   12    H    SER   2           H        SER   2   7.239   5.201   2.847
   13    HA   SER   2           HA       SER   2   5.275   2.976   2.785
   14    HB2  SER   2           2HB      SER   2   5.753   4.935   0.502
   15    HB3  SER   2           3HB      SER   2   4.755   3.471   0.430
   16    HG   SER   2           HG       SER   2   3.524   5.349   0.851
   17    H    GLU   3           H        GLU   3   5.902   1.250   1.315
   18    HA   GLU   3           HA       GLU   3   8.609   1.329   0.192
   19    HB2  GLU   3           2HB      GLU   3   9.405  -0.577   1.500
   20    HB3  GLU   3           3HB      GLU   3   9.023   0.792   2.554
   21    HG2  GLU   3           2HG      GLU   3   6.809  -0.257   3.059
   22    HG3  GLU   3           3HG      GLU   3   7.259  -1.646   2.054
   23    H    GLN   4           H        GLN   4   9.143  -0.855  -0.812
   24    HA   GLN   4           HA       GLN   4   6.692  -2.235  -1.790
   25    HB2  GLN   4           2HB      GLN   4   9.032  -1.184  -3.437
   26    HB3  GLN   4           3HB      GLN   4   7.783  -2.278  -4.048
   27    HG2  GLN   4           2HG      GLN   4   6.043  -0.579  -3.485
   28    HG3  GLN   4           3HG      GLN   4   7.309   0.522  -2.934
   29   HE21  GLN   4          2HE2      GLN   4   5.928   1.728  -4.729
   30   HE22  GLN   4          1HE2      GLN   4   6.630   1.679  -6.335
   31    H    LEU   5           H        LEU   5   9.268  -2.683   0.053
   32    HA   LEU   5           HA       LEU   5   9.836  -5.400  -1.042
   33    HB2  LEU   5           2HB      LEU   5  11.771  -3.466   0.280
   34    HB3  LEU   5           3HB      LEU   5  12.154  -5.112  -0.238
   35    HG   LEU   5           HG       LEU   5  11.352  -2.805  -2.063
   36   HD11  LEU   5          1HD1      LEU   5  13.697  -2.918  -2.798
   37   HD12  LEU   5          2HD1      LEU   5  13.608  -2.584  -1.052
   38   HD13  LEU   5          3HD1      LEU   5  14.009  -4.220  -1.623
   39   HD21  LEU   5          3HD2      LEU   5  10.689  -5.052  -2.977
   40   HD22  LEU   5          1HD2      LEU   5  11.988  -4.280  -3.910
   41   HD23  LEU   5          2HD2      LEU   5  12.381  -5.584  -2.777
   42    H    THR   6           H        THR   6  10.463  -6.958   0.565
   43    HA   THR   6           HA       THR   6   9.569  -6.382   3.336
   44    HB   THR   6           HB       THR   6   8.528  -8.690   1.650
   45    HG1  THR   6           1HG      THR   6   6.594  -7.513   1.667
   46   HG21  THR   6          1HG2      THR   6   7.912  -7.674   4.450
   47   HG22  THR   6          2HG2      THR   6   6.813  -8.746   3.546
   48   HG23  THR   6          3HG2      THR   6   8.445  -9.304   3.958
   49    H    ASP   7           H        ASP   7  10.001  -8.482   4.711
   50    HA   ASP   7           HA       ASP   7  12.750  -9.023   4.691
   51    HB2  ASP   7           2HB      ASP   7  12.195 -10.782   6.312
   52    HB3  ASP   7           3HB      ASP   7  11.311  -9.283   6.630
   53    H    GLN   8           H        GLN   8  10.291 -10.407   2.663
   54    HA   GLN   8           HA       GLN   8  11.539 -12.931   2.135
   55    HB2  GLN   8           2HB      GLN   8   9.197 -12.473   1.578
   56    HB3  GLN   8           3HB      GLN   8   9.680 -11.161   0.488
   57    HG2  GLN   8           2HG      GLN   8   9.123 -13.167  -0.800
   58    HG3  GLN   8           3HG      GLN   8  10.829 -12.773  -0.986
   59   HE21  GLN   8          2HE2      GLN   8  12.431 -14.099   0.109
   60   HE22  GLN   8          1HE2      GLN   8  12.026 -15.725   0.631
   61    H    VAL   9           H        VAL   9  11.641  -9.771   0.424
   62    HA   VAL   9           HA       VAL   9  13.681 -10.780  -1.420
   63    HB   VAL   9           HB       VAL   9  11.980  -9.453  -2.386
   64   HG11  VAL   9          1HG1      VAL   9  12.585  -7.318  -0.310
   65   HG12  VAL   9          2HG1      VAL   9  11.451  -7.157  -1.675
   66   HG13  VAL   9          3HG1      VAL   9  11.118  -8.335  -0.403
   67   HG21  VAL   9          3HG2      VAL   9  13.194  -7.597  -3.376
   68   HG22  VAL   9          1HG2      VAL   9  14.358  -7.579  -2.039
   69   HG23  VAL   9          2HG2      VAL   9  14.313  -8.960  -3.169
   70    H    LEU  10           H        LEU  10  13.518  -8.844   1.532
   71    HA   LEU  10           HA       LEU  10  16.123  -7.661   1.262
   72    HB2  LEU  10           2HB      LEU  10  14.057  -8.018   3.397
   73    HB3  LEU  10           3HB      LEU  10  15.726  -7.785   3.944
   74    HG   LEU  10           HG       LEU  10  15.932  -5.724   2.687
   75   HD11  LEU  10          1HD1      LEU  10  14.490  -6.199   0.765
   76   HD12  LEU  10          2HD1      LEU  10  13.053  -6.168   1.819
   77   HD13  LEU  10          3HD1      LEU  10  14.005  -4.690   1.560
   78   HD21  LEU  10          3HD2      LEU  10  14.982  -5.671   4.973
   79   HD22  LEU  10          1HD2      LEU  10  14.299  -4.374   3.967
   80   HD23  LEU  10          2HD2      LEU  10  13.342  -5.837   4.303
   81    H    VAL  11           H        VAL  11  14.986 -10.874   2.346
   82    HA   VAL  11           HA       VAL  11  17.637 -11.510   3.416
   83    HB   VAL  11           HB       VAL  11  15.124 -13.153   3.008
   84   HG11  VAL  11          1HG1      VAL  11  16.349 -14.875   4.370
   85   HG12  VAL  11          2HG1      VAL  11  16.990 -14.684   2.724
   86   HG13  VAL  11          3HG1      VAL  11  17.852 -13.961   4.101
   87   HG21  VAL  11          3HG2      VAL  11  15.123 -13.141   5.464
   88   HG22  VAL  11          1HG2      VAL  11  16.662 -12.245   5.488
   89   HG23  VAL  11          2HG2      VAL  11  15.188 -11.463   4.878
   90    H    GLU  12           H        GLU  12  15.878 -11.874   0.333
   91    HA   GLU  12           HA       GLU  12  17.811 -13.722  -0.794
   92    HB2  GLU  12           2HB      GLU  12  15.776 -11.806  -1.984
   93    HB3  GLU  12           3HB      GLU  12  16.822 -12.850  -2.966
   94    HG2  GLU  12           2HG      GLU  12  15.927 -14.850  -1.812
   95    HG3  GLU  12           3HG      GLU  12  14.870 -13.816  -0.838
   96    H    ARG  13           H        ARG  13  17.536 -10.177  -0.530
   97    HA   ARG  13           HA       ARG  13  19.568  -9.611  -2.481
   98    HB2  ARG  13           2HB      ARG  13  17.759  -8.086  -1.891
   99    HB3  ARG  13           3HB      ARG  13  18.374  -7.946  -0.231
  100    HG2  ARG  13           2HG      ARG  13  20.371  -6.843  -0.974
  101    HG3  ARG  13           3HG      ARG  13  20.019  -7.191  -2.682
  102    HD2  ARG  13           2HD      ARG  13  18.284  -5.475  -0.866
  103    HD3  ARG  13           3HD      ARG  13  19.483  -4.842  -2.018
  104    HE   ARG  13           HE       ARG  13  17.771  -6.551  -3.458
  105   HH11  ARG  13          1HH1      ARG  13  17.566  -3.492  -1.689
  106   HH12  ARG  13          2HH1      ARG  13  16.245  -2.884  -2.665
  107   HH21  ARG  13          1HH2      ARG  13  16.050  -5.723  -4.716
  108   HH22  ARG  13          2HH2      ARG  13  15.403  -4.137  -4.367
  109    H    VAL  14           H        VAL  14  19.658 -10.042   1.087
  110    HA   VAL  14           HA       VAL  14  22.438  -9.259   1.264
  111    HB   VAL  14           HB       VAL  14  22.328 -10.162   3.531
  112   HG11  VAL  14          1HG1      VAL  14  20.394  -8.751   4.322
  113   HG12  VAL  14          2HG1      VAL  14  21.493  -7.924   3.177
  114   HG13  VAL  14          3HG1      VAL  14  19.912  -8.532   2.637
  115   HG21  VAL  14          3HG2      VAL  14  19.544 -11.091   2.757
  116   HG22  VAL  14          1HG2      VAL  14  20.923 -12.142   3.185
  117   HG23  VAL  14          2HG2      VAL  14  20.210 -11.062   4.404
  118    H    GLN  15           H        GLN  15  20.764 -12.246   0.438
  119    HA   GLN  15           HA       GLN  15  23.133 -13.921   0.754
  120    HB2  GLN  15           2HB      GLN  15  20.446 -14.292  -0.613
  121    HB3  GLN  15           3HB      GLN  15  21.704 -15.539  -0.560
  122    HG2  GLN  15           2HG      GLN  15  21.656 -15.573   1.888
  123    HG3  GLN  15           3HG      GLN  15  20.493 -14.253   1.922
  124   HE21  GLN  15          2HE2      GLN  15  19.826 -16.575   3.243
  125   HE22  GLN  15          1HE2      GLN  15  18.584 -17.437   2.359
  126    H    LYS  16           H        LYS  16  21.964 -11.664  -1.599
  127    HA   LYS  16           HA       LYS  16  23.554 -12.819  -3.788
  128    HB2  LYS  16           2HB      LYS  16  21.584 -10.530  -3.573
  129    HB3  LYS  16           3HB      LYS  16  22.535 -10.837  -5.044
  130    HG2  LYS  16           2HG      LYS  16  21.631 -13.064  -5.277
  131    HG3  LYS  16           3HG      LYS  16  20.851 -12.982  -3.691
  132    HD2  LYS  16           2HD      LYS  16  19.460 -11.077  -4.511
  133    HD3  LYS  16           3HD      LYS  16  20.155 -11.307  -6.133
  134    HE2  LYS  16           2HE      LYS  16  19.342 -13.656  -6.128
  135    HE3  LYS  16           3HE      LYS  16  18.655 -13.412  -4.515
  136    HZ1  LYS  16           3HZ      LYS  16  16.997 -13.161  -6.216
  137    HZ2  LYS  16           1HZ      LYS  16  17.215 -11.731  -5.442
  138    HZ3  LYS  16           2HZ      LYS  16  17.850 -11.954  -6.943
  139    H    GLY  17           H        GLY  17  24.326 -11.049  -1.118
  140    HA2  GLY  17           2HA      GLY  17  26.631 -10.509  -0.834
  141    HA3  GLY  17           3HA      GLY  17  26.725 -10.018  -2.532
  142    H    ASP  18           H        ASP  18  23.838  -8.766  -1.283
  143    HA   ASP  18           HA       ASP  18  25.115  -6.118  -0.896
  144    HB2  ASP  18           2HB      ASP  18  22.363  -7.115  -1.632
  145    HB3  ASP  18           3HB      ASP  18  22.589  -5.473  -1.050
  146    H    GLN  19           H        GLN  19  25.948  -6.585   1.216
  147    HA   GLN  19           HA       GLN  19  24.294  -7.478   3.361
  148    HB2  GLN  19           2HB      GLN  19  26.736  -7.702   3.228
  149    HB3  GLN  19           3HB      GLN  19  26.933  -5.950   3.337
  150    HG2  GLN  19           2HG      GLN  19  25.452  -7.521   5.471
  151    HG3  GLN  19           3HG      GLN  19  27.214  -7.445   5.468
  152   HE21  GLN  19          2HE2      GLN  19  25.880  -6.489   7.662
  153   HE22  GLN  19          1HE2      GLN  19  26.007  -4.741   7.717
  154    H    LYS  20           H        LYS  20  24.584  -4.423   1.754
  155    HA   LYS  20           HA       LYS  20  23.892  -2.639   3.848
  156    HB2  LYS  20           2HB      LYS  20  23.216  -1.154   2.023
  157    HB3  LYS  20           3HB      LYS  20  24.715  -1.995   1.596
  158    HG2  LYS  20           2HG      LYS  20  23.350  -3.656   0.282
  159    HG3  LYS  20           3HG      LYS  20  21.899  -2.698   0.648
  160    HD2  LYS  20           2HD      LYS  20  22.961  -0.731  -0.468
  161    HD3  LYS  20           3HD      LYS  20  24.364  -1.750  -0.869
  162    HE2  LYS  20           2HE      LYS  20  22.837  -3.305  -2.092
  163    HE3  LYS  20           3HE      LYS  20  21.487  -2.212  -1.742
  164    HZ1  LYS  20           3HZ      LYS  20  22.403  -1.814  -3.927
  165    HZ2  LYS  20           1HZ      LYS  20  22.646  -0.499  -2.975
  166    HZ3  LYS  20           2HZ      LYS  20  23.893  -1.522  -3.301
  167    H    ALA  21           H        ALA  21  21.990  -5.037   2.108
  168    HA   ALA  21           HA       ALA  21  19.442  -3.840   2.888
  169    HB1  ALA  21           1HB      ALA  21  20.129  -6.546   1.680
  170    HB2  ALA  21           2HB      ALA  21  18.494  -5.869   1.862
  171    HB3  ALA  21           3HB      ALA  21  19.671  -5.077   0.784
  172    H    PHE  22           H        PHE  22  21.797  -5.978   4.363
  173    HA   PHE  22           HA       PHE  22  19.873  -7.242   6.146
  174    HB2  PHE  22           2HB      PHE  22  22.054  -8.293   5.531
  175    HB3  PHE  22           3HB      PHE  22  22.893  -7.006   6.388
  176    HD1  PHE  22           HD1      PHE  22  20.110  -9.489   6.934
  177    HD2  PHE  22           HD2      PHE  22  23.489  -7.429   8.620
  178    HE1  PHE  22           HE1      PHE  22  19.830 -10.757   9.044
  179    HE2  PHE  22           HE2      PHE  22  23.206  -8.707  10.732
  180    HZ   PHE  22           HZ       PHE  22  21.368 -10.358  10.944
  181    H    ASN  23           H        ASN  23  22.056  -4.414   6.189
  182    HA   ASN  23           HA       ASN  23  21.711  -3.711   8.924
  183    HB2  ASN  23           2HB      ASN  23  23.464  -2.708   7.636
  184    HB3  ASN  23           3HB      ASN  23  22.340  -2.233   6.359
  185   HD21  ASN  23          2HD2      ASN  23  21.308  -0.298   6.416
  186   HD22  ASN  23          1HD2      ASN  23  21.466   0.849   7.727
  187    H    LEU  24           H        LEU  24  19.856  -2.932   5.974
  188    HA   LEU  24           HA       LEU  24  17.943  -1.263   7.370
  189    HB2  LEU  24           2HB      LEU  24  17.903  -2.592   4.626
  190    HB3  LEU  24           3HB      LEU  24  16.733  -1.386   5.182
  191    HG   LEU  24           HG       LEU  24  19.738  -0.904   4.963
  192   HD11  LEU  24          1HD1      LEU  24  17.442  -0.055   3.150
  193   HD12  LEU  24          2HD1      LEU  24  19.146   0.432   2.980
  194   HD13  LEU  24          3HD1      LEU  24  18.682  -1.274   2.773
  195   HD21  LEU  24          3HD2      LEU  24  18.676   0.549   6.633
  196   HD22  LEU  24          1HD2      LEU  24  19.096   1.473   5.178
  197   HD23  LEU  24          2HD2      LEU  24  17.409   0.994   5.458
  198    H    LEU  25           H        LEU  25  18.326  -4.686   6.927
  199    HA   LEU  25           HA       LEU  25  15.496  -5.287   7.401
  200    HB2  LEU  25           2HB      LEU  25  16.868  -6.698   5.924
  201    HB3  LEU  25           3HB      LEU  25  17.994  -7.020   7.244
  202    HG   LEU  25           HG       LEU  25  16.178  -8.163   8.508
  203   HD11  LEU  25          1HD1      LEU  25  14.587  -7.736   5.946
  204   HD12  LEU  25          2HD1      LEU  25  14.112  -8.790   7.293
  205   HD13  LEU  25          3HD1      LEU  25  14.213  -7.032   7.543
  206   HD21  LEU  25          3HD2      LEU  25  16.662  -9.124   5.652
  207   HD22  LEU  25          1HD2      LEU  25  17.722  -9.415   7.052
  208   HD23  LEU  25          2HD2      LEU  25  16.106 -10.146   7.003
  209    H    VAL  26           H        VAL  26  18.586  -5.490   9.310
  210    HA   VAL  26           HA       VAL  26  17.185  -6.684  11.518
  211    HB   VAL  26           HB       VAL  26  19.152  -6.352  12.818
  212   HG11  VAL  26          1HG1      VAL  26  19.928  -7.054   9.971
  213   HG12  VAL  26          2HG1      VAL  26  20.816  -7.478  11.448
  214   HG13  VAL  26          3HG1      VAL  26  19.193  -8.154  11.164
  215   HG21  VAL  26          3HG2      VAL  26  19.728  -4.070  12.277
  216   HG22  VAL  26          1HG2      VAL  26  21.120  -5.121  11.964
  217   HG23  VAL  26          2HG2      VAL  26  20.143  -4.523  10.602
  218    H    VAL  27           H        VAL  27  17.557  -3.306  10.508
  219    HA   VAL  27           HA       VAL  27  17.116  -2.248  13.149
  220    HB   VAL  27           HB       VAL  27  18.176  -0.977  11.350
  221   HG11  VAL  27          1HG1      VAL  27  16.775  -1.720   9.469
  222   HG12  VAL  27          2HG1      VAL  27  15.381  -0.835  10.144
  223   HG13  VAL  27          3HG1      VAL  27  16.820   0.054   9.587
  224   HG21  VAL  27          3HG2      VAL  27  15.607   0.306  12.372
  225   HG22  VAL  27          1HG2      VAL  27  17.124   0.165  13.281
  226   HG23  VAL  27          2HG2      VAL  27  17.057   1.156  11.805
  227    H    ARG  28           H        ARG  28  14.968  -3.519  10.646
  228    HA   ARG  28           HA       ARG  28  12.521  -2.434  11.705
  229    HB2  ARG  28           2HB      ARG  28  12.902  -5.111  10.306
  230    HB3  ARG  28           3HB      ARG  28  11.440  -4.110  10.353
  231    HG2  ARG  28           2HG      ARG  28  12.600  -2.390   8.972
  232    HG3  ARG  28           3HG      ARG  28  14.071  -3.396   8.996
  233    HD2  ARG  28           2HD      ARG  28  12.961  -3.796   6.909
  234    HD3  ARG  28           3HD      ARG  28  12.817  -5.240   7.913
  235    HE   ARG  28           HE       ARG  28  10.494  -4.710   8.337
  236   HH11  ARG  28          1HH1      ARG  28  12.042  -2.678   5.887
  237   HH12  ARG  28          2HH1      ARG  28  10.523  -2.208   5.162
  238   HH21  ARG  28          1HH2      ARG  28   8.535  -4.063   7.368
  239   HH22  ARG  28          2HH2      ARG  28   8.557  -2.979   5.994
  240    H    TYR  29           H        TYR  29  14.565  -5.215  12.432
  241    HA   TYR  29           HA       TYR  29  12.613  -6.229  14.419
  242    HB2  TYR  29           2HB      TYR  29  15.149  -7.393  13.225
  243    HB3  TYR  29           3HB      TYR  29  14.206  -8.164  14.485
  244    HD1  TYR  29           HD1      TYR  29  14.015  -6.988  10.959
  245    HD2  TYR  29           HD2      TYR  29  12.247  -9.374  14.059
  246    HE1  TYR  29           HE1      TYR  29  12.431  -7.928   9.308
  247    HE2  TYR  29           HE2      TYR  29  10.655 -10.341  12.422
  248    HH   TYR  29           HH       TYR  29  10.665  -9.375   8.967
  249    H    GLN  30           H        GLN  30  15.264  -4.099  14.387
  250    HA   GLN  30           HA       GLN  30  16.675  -4.998  16.688
  251    HB2  GLN  30           2HB      GLN  30  17.452  -3.374  14.956
  252    HB3  GLN  30           3HB      GLN  30  16.353  -2.158  15.624
  253    HG2  GLN  30           2HG      GLN  30  17.574  -2.199  17.753
  254    HG3  GLN  30           3HG      GLN  30  18.571  -3.553  17.173
  255   HE21  GLN  30          2HE2      GLN  30  19.662  -3.081  14.923
  256   HE22  GLN  30          1HE2      GLN  30  20.426  -1.509  14.794
  257    H    HIS  31           H        HIS  31  13.695  -3.114  16.319
  258    HA   HIS  31           HA       HIS  31  13.599  -2.507  19.197
  259    HB2  HIS  31           2HB      HIS  31  12.781  -0.903  17.510
  260    HB3  HIS  31           3HB      HIS  31  11.583  -2.085  16.967
  261    HD2  HIS  31           HD2      HIS  31   9.279  -2.026  18.160
  262    HE1  HIS  31           HE1      HIS  31  10.283   0.338  21.548
  263    HE2  HIS  31           HE2      HIS  31   8.383  -0.812  20.298
  264    H    LYS  32           H        LYS  32  12.265  -4.920  16.942
  265    HA   LYS  32           HA       LYS  32  10.242  -5.777  18.886
  266    HB2  LYS  32           2HB      LYS  32  11.078  -6.913  16.189
  267    HB3  LYS  32           3HB      LYS  32   9.687  -7.444  17.156
  268    HG2  LYS  32           2HG      LYS  32   8.749  -5.121  17.032
  269    HG3  LYS  32           3HG      LYS  32  10.124  -4.639  16.025
  270    HD2  LYS  32           2HD      LYS  32   8.233  -5.100  14.588
  271    HD3  LYS  32           3HD      LYS  32   9.473  -6.335  14.336
  272    HE2  LYS  32           2HE      LYS  32   7.295  -7.395  14.409
  273    HE3  LYS  32           3HE      LYS  32   8.207  -7.878  15.849
  274    HZ1  LYS  32           3HZ      LYS  32   6.998  -6.227  17.093
  275    HZ2  LYS  32           1HZ      LYS  32   6.159  -5.769  15.749
  276    HZ3  LYS  32           2HZ      LYS  32   5.957  -7.274  16.372
  277    H    VAL  33           H        VAL  33  13.454  -6.864  17.807
  278    HA   VAL  33           HA       VAL  33  13.336  -9.438  19.121
  279    HB   VAL  33           HB       VAL  33  15.665  -7.677  18.217
  280   HG11  VAL  33          1HG1      VAL  33  15.479 -10.642  18.760
  281   HG12  VAL  33          2HG1      VAL  33  16.903  -9.777  18.117
  282   HG13  VAL  33          3HG1      VAL  33  16.358  -9.482  19.804
  283   HG21  VAL  33          3HG2      VAL  33  14.551 -10.177  16.896
  284   HG22  VAL  33          1HG2      VAL  33  14.030  -8.548  16.412
  285   HG23  VAL  33          2HG2      VAL  33  15.761  -9.031  16.271
  286    H    ALA  34           H        ALA  34  14.483  -6.141  19.928
  287    HA   ALA  34           HA       ALA  34  15.684  -6.798  22.410
  288    HB1  ALA  34           1HB      ALA  34  14.313  -4.226  21.510
  289    HB2  ALA  34           2HB      ALA  34  15.451  -4.382  22.869
  290    HB3  ALA  34           3HB      ALA  34  16.016  -4.657  21.213
  291    H    SER  35           H        SER  35  12.284  -6.441  21.465
  292    HA   SER  35           HA       SER  35  11.288  -5.955  24.131
  293    HB2  SER  35           2HB      SER  35  10.088  -5.367  22.026
  294    HB3  SER  35           3HB      SER  35   9.879  -7.100  21.693
  295    HG   SER  35           HG       SER  35   8.077  -6.144  22.774
  296    H    LEU  36           H        LEU  36  11.531  -8.906  22.048
  297    HA   LEU  36           HA       LEU  36  10.363 -10.513  24.176
  298    HB2  LEU  36           2HB      LEU  36  10.541 -12.361  22.660
  299    HB3  LEU  36           3HB      LEU  36   9.967 -10.939  21.785
  300    HG   LEU  36           HG       LEU  36  12.539 -10.666  21.149
  301   HD11  LEU  36          1HD1      LEU  36  13.628 -12.883  20.869
  302   HD12  LEU  36          2HD1      LEU  36  13.396 -12.537  22.591
  303   HD13  LEU  36          3HD1      LEU  36  12.296 -13.655  21.756
  304   HD21  LEU  36          3HD2      LEU  36  10.737 -12.848  20.028
  305   HD22  LEU  36          1HD2      LEU  36  10.719 -11.129  19.566
  306   HD23  LEU  36          2HD2      LEU  36  12.142 -12.135  19.209
  307    H    VAL  37           H        VAL  37  13.631  -9.641  23.168
  308    HA   VAL  37           HA       VAL  37  14.768 -11.865  24.681
  309    HB   VAL  37           HB       VAL  37  15.614 -10.877  22.479
  310   HG11  VAL  37          1HG1      VAL  37  17.078  -9.054  22.505
  311   HG12  VAL  37          2HG1      VAL  37  15.698  -8.500  23.500
  312   HG13  VAL  37          3HG1      VAL  37  17.206  -9.050  24.275
  313   HG21  VAL  37          3HG2      VAL  37  17.586 -11.294  24.762
  314   HG22  VAL  37          1HG2      VAL  37  16.779 -12.589  23.841
  315   HG23  VAL  37          2HG2      VAL  37  17.910 -11.485  23.027
  316    H    SER  38           H        SER  38  13.734  -8.634  25.403
  317    HA   SER  38           HA       SER  38  15.462  -8.181  27.656
  318    HB2  SER  38           2HB      SER  38  14.114  -6.417  26.538
  319    HB3  SER  38           3HB      SER  38  12.630  -7.200  27.116
  320    HG   SER  38           HG       SER  38  13.321  -5.509  28.491
  321    H    ARG  39           H        ARG  39  12.992 -10.475  27.041
  322    HA   ARG  39           HA       ARG  39  12.209 -10.835  29.838
  323    HB2  ARG  39           2HB      ARG  39  11.692 -12.590  27.416
  324    HB3  ARG  39           3HB      ARG  39  10.856 -12.658  28.975
  325    HG2  ARG  39           2HG      ARG  39   9.995 -10.350  28.611
  326    HG3  ARG  39           3HG      ARG  39  10.785 -10.316  27.019
  327    HD2  ARG  39           2HD      ARG  39   8.639 -12.271  27.914
  328    HD3  ARG  39           3HD      ARG  39   8.407 -10.908  26.805
  329    HE   ARG  39           HE       ARG  39  10.479 -12.489  25.732
  330   HH11  ARG  39          1HH1      ARG  39   7.032 -12.775  26.442
  331   HH12  ARG  39          2HH1      ARG  39   6.748 -13.961  25.186
  332   HH21  ARG  39          1HH2      ARG  39  10.081 -14.068  24.111
  333   HH22  ARG  39          2HH2      ARG  39   8.464 -14.681  23.875
  334    H    TYR  40           H        TYR  40  14.956 -11.644  28.050
  335    HA   TYR  40           HA       TYR  40  15.431 -14.061  29.728
  336    HB2  TYR  40           2HB      TYR  40  16.322 -13.519  26.883
  337    HB3  TYR  40           3HB      TYR  40  16.787 -14.918  27.852
  338    HD1  TYR  40           HD1      TYR  40  14.973 -16.512  28.667
  339    HD2  TYR  40           HD2      TYR  40  14.273 -13.515  25.666
  340    HE1  TYR  40           HE1      TYR  40  12.931 -17.717  27.941
  341    HE2  TYR  40           HE2      TYR  40  12.242 -14.724  24.918
  342    HH   TYR  40           HH       TYR  40  11.154 -17.760  26.486
  343    H    VAL  41           H        VAL  41  16.520 -10.892  28.917
  344    HA   VAL  41           HA       VAL  41  18.781 -11.272  30.761
  345    HB   VAL  41           HB       VAL  41  20.205  -9.803  29.230
  346   HG11  VAL  41          1HG1      VAL  41  21.148 -11.685  28.044
  347   HG12  VAL  41          2HG1      VAL  41  20.655 -12.212  29.661
  348   HG13  VAL  41          3HG1      VAL  41  19.651 -12.627  28.255
  349   HG21  VAL  41          3HG2      VAL  41  18.342 -10.879  27.088
  350   HG22  VAL  41          1HG2      VAL  41  18.376  -9.195  27.643
  351   HG23  VAL  41          2HG2      VAL  41  19.807  -9.893  26.849
  352    HA   PRO  42           HA       PRO  42  17.249  -7.461  32.287
  353    HB2  PRO  42           2HB      PRO  42  19.474  -6.219  33.296
  354    HB3  PRO  42           3HB      PRO  42  18.782  -7.711  34.018
  355    HG2  PRO  42           2HG      PRO  42  21.046  -7.500  32.003
  356    HG3  PRO  42           3HG      PRO  42  21.054  -8.375  33.573
  357    HD2  PRO  42           2HD      PRO  42  20.522  -9.686  31.277
  358    HD3  PRO  42           3HD      PRO  42  19.547 -10.033  32.737
  359    H    SER  43           H        SER  43  17.353  -5.075  32.049
  360    HA   SER  43           HA       SER  43  17.469  -4.419  29.285
  361    HB2  SER  43           2HB      SER  43  16.841  -2.170  30.020
  362    HB3  SER  43           3HB      SER  43  15.899  -3.405  30.879
  363    HG   SER  43           HG       SER  43  17.259  -3.127  32.661
  364    H    GLY  44           H        GLY  44  20.034  -4.545  31.546
  365    HA2  GLY  44           2HA      GLY  44  21.602  -2.410  30.261
  366    HA3  GLY  44           3HA      GLY  44  22.105  -3.465  31.592
  367    H    ASP  45           H        ASP  45  21.045  -5.841  29.845
  368    HA   ASP  45           HA       ASP  45  23.486  -6.045  28.136
  369    HB2  ASP  45           2HB      ASP  45  21.976  -8.187  29.667
  370    HB3  ASP  45           3HB      ASP  45  23.348  -8.471  28.584
  371    H    VAL  46           H        VAL  46  20.144  -5.675  28.014
  372    HA   VAL  46           HA       VAL  46  19.473  -7.657  26.081
  373    HB   VAL  46           HB       VAL  46  17.919  -6.475  27.634
  374   HG11  VAL  46          1HG1      VAL  46  18.593  -4.140  27.267
  375   HG12  VAL  46          2HG1      VAL  46  18.057  -4.244  25.563
  376   HG13  VAL  46          3HG1      VAL  46  16.878  -4.389  26.878
  377   HG21  VAL  46          3HG2      VAL  46  17.263  -6.541  24.664
  378   HG22  VAL  46          1HG2      VAL  46  17.060  -7.847  25.870
  379   HG23  VAL  46          2HG2      VAL  46  16.069  -6.377  25.965
  380    HA   PRO  47           HA       PRO  47  20.095  -4.379  22.737
  381    HB2  PRO  47           2HB      PRO  47  21.984  -2.451  22.925
  382    HB3  PRO  47           3HB      PRO  47  20.380  -2.261  23.714
  383    HG2  PRO  47           2HG      PRO  47  22.965  -3.215  24.974
  384    HG3  PRO  47           3HG      PRO  47  21.855  -1.940  25.573
  385    HD2  PRO  47           2HD      PRO  47  21.762  -4.503  26.470
  386    HD3  PRO  47           3HD      PRO  47  20.282  -3.516  26.301
  387    H    ASP  48           H        ASP  48  22.773  -5.669  24.630
  388    HA   ASP  48           HA       ASP  48  24.587  -5.831  22.348
  389    HB2  ASP  48           2HB      ASP  48  25.333  -5.504  24.711
  390    HB3  ASP  48           3HB      ASP  48  24.725  -7.126  25.096
  391    H    VAL  49           H        VAL  49  22.186  -7.881  23.954
  392    HA   VAL  49           HA       VAL  49  23.067 -10.298  22.590
  393    HB   VAL  49           HB       VAL  49  20.580  -9.604  24.191
  394   HG11  VAL  49          1HG1      VAL  49  20.207 -12.047  24.280
  395   HG12  VAL  49          2HG1      VAL  49  20.076 -11.438  22.610
  396   HG13  VAL  49          3HG1      VAL  49  21.546 -12.296  23.133
  397   HG21  VAL  49          3HG2      VAL  49  22.736  -9.672  25.461
  398   HG22  VAL  49          1HG2      VAL  49  21.665 -11.012  25.910
  399   HG23  VAL  49          2HG2      VAL  49  23.040 -11.301  24.825
  400    H    VAL  50           H        VAL  50  20.801  -7.632  21.910
  401    HA   VAL  50           HA       VAL  50  19.522  -8.946  19.664
  402    HB   VAL  50           HB       VAL  50  19.919  -6.035  20.448
  403   HG11  VAL  50          1HG1      VAL  50  18.288  -7.222  18.156
  404   HG12  VAL  50          2HG1      VAL  50  18.189  -5.542  18.725
  405   HG13  VAL  50          3HG1      VAL  50  19.691  -6.142  18.000
  406   HG21  VAL  50          3HG2      VAL  50  18.401  -7.446  21.863
  407   HG22  VAL  50          1HG2      VAL  50  17.533  -6.166  20.977
  408   HG23  VAL  50          2HG2      VAL  50  17.467  -7.843  20.398
  409    H    GLN  51           H        GLN  51  22.494  -6.990  20.126
  410    HA   GLN  51           HA       GLN  51  23.068  -6.825  17.307
  411    HB2  GLN  51           2HB      GLN  51  23.983  -5.251  18.970
  412    HB3  GLN  51           3HB      GLN  51  24.912  -6.574  19.717
  413    HG2  GLN  51           2HG      GLN  51  26.173  -6.910  17.657
  414    HG3  GLN  51           3HG      GLN  51  25.187  -5.700  16.815
  415   HE21  GLN  51          2HE2      GLN  51  27.689  -5.101  16.530
  416   HE22  GLN  51          1HE2      GLN  51  28.255  -3.893  17.664
  417    H    GLU  52           H        GLU  52  24.088  -9.078  19.952
  418    HA   GLU  52           HA       GLU  52  25.817 -10.561  18.201
  419    HB2  GLU  52           2HB      GLU  52  25.991 -10.539  20.681
  420    HB3  GLU  52           3HB      GLU  52  24.465 -11.460  20.777
  421    HG2  GLU  52           2HG      GLU  52  25.449 -13.352  19.659
  422    HG3  GLU  52           3HG      GLU  52  26.875 -12.417  19.189
  423    H    ALA  53           H        ALA  53  22.334 -10.626  18.849
  424    HA   ALA  53           HA       ALA  53  21.898 -13.217  17.660
  425    HB1  ALA  53           1HB      ALA  53  20.028 -10.851  18.071
  426    HB2  ALA  53           2HB      ALA  53  19.533 -12.503  17.622
  427    HB3  ALA  53           3HB      ALA  53  20.286 -12.201  19.203
  428    H    PHE  54           H        PHE  54  22.004  -9.842  16.409
  429    HA   PHE  54           HA       PHE  54  21.209 -10.643  13.735
  430    HB2  PHE  54           2HB      PHE  54  22.594  -8.158  14.803
  431    HB3  PHE  54           3HB      PHE  54  22.024  -8.356  13.147
  432    HD1  PHE  54           HD1      PHE  54  19.395  -9.879  13.938
  433    HD2  PHE  54           HD2      PHE  54  21.240  -6.239  15.322
  434    HE1  PHE  54           HE1      PHE  54  17.195  -9.015  14.603
  435    HE2  PHE  54           HE2      PHE  54  19.006  -5.352  15.919
  436    HZ   PHE  54           HZ       PHE  54  16.984  -6.750  15.577
  437    H    ILE  55           H        ILE  55  24.364 -10.298  15.419
  438    HA   ILE  55           HA       ILE  55  25.895 -10.602  12.985
  439    HB   ILE  55           HB       ILE  55  26.576 -11.086  15.911
  440   HG12  ILE  55          2HG1      ILE  55  27.313  -8.771  14.053
  441   HG13  ILE  55          3HG1      ILE  55  25.985  -8.726  15.200
  442   HG21  ILE  55          1HG2      ILE  55  28.057 -12.403  14.410
  443   HG22  ILE  55          2HG2      ILE  55  28.417 -10.925  13.477
  444   HG23  ILE  55          3HG2      ILE  55  28.941 -11.079  15.168
  445   HD11  ILE  55          3HD1      ILE  55  28.934  -9.087  15.888
  446   HD12  ILE  55          1HD1      ILE  55  27.932  -7.654  16.183
  447   HD13  ILE  55          2HD1      ILE  55  27.605  -9.161  17.067
  448    H    LYS  56           H        LYS  56  24.556 -12.801  15.441
  449    HA   LYS  56           HA       LYS  56  25.731 -15.204  14.326
  450    HB2  LYS  56           2HB      LYS  56  25.099 -14.890  16.697
  451    HB3  LYS  56           3HB      LYS  56  23.394 -14.751  16.226
  452    HG2  LYS  56           2HG      LYS  56  23.487 -17.067  15.309
  453    HG3  LYS  56           3HG      LYS  56  25.176 -17.197  15.844
  454    HD2  LYS  56           2HD      LYS  56  22.775 -16.647  17.639
  455    HD3  LYS  56           3HD      LYS  56  23.580 -18.217  17.472
  456    HE2  LYS  56           2HE      LYS  56  24.870 -15.657  18.509
  457    HE3  LYS  56           3HE      LYS  56  24.290 -16.996  19.512
  458    HZ1  LYS  56           3HZ      LYS  56  26.415 -17.208  17.489
  459    HZ2  LYS  56           1HZ      LYS  56  26.645 -17.149  19.119
  460    HZ3  LYS  56           2HZ      LYS  56  25.877 -18.432  18.443
  461    H    ALA  57           H        ALA  57  22.695 -13.385  13.861
  462    HA   ALA  57           HA       ALA  57  21.344 -15.485  12.449
  463    HB1  ALA  57           1HB      ALA  57  20.967 -12.461  12.399
  464    HB2  ALA  57           2HB      ALA  57  19.851 -13.650  11.691
  465    HB3  ALA  57           3HB      ALA  57  20.114 -13.628  13.443
  466    H    TYR  58           H        TYR  58  23.401 -12.691  11.349
  467    HA   TYR  58           HA       TYR  58  22.826 -13.038   8.599
  468    HB2  TYR  58           2HB      TYR  58  23.942 -11.075   9.665
  469    HB3  TYR  58           3HB      TYR  58  25.386 -12.062   9.914
  470    HD1  TYR  58           HD2      TYR  58  23.081 -10.828   7.223
  471    HD2  TYR  58           HD1      TYR  58  27.022 -12.203   8.249
  472    HE1  TYR  58           HE2      TYR  58  23.890 -10.167   4.975
  473    HE2  TYR  58           HE1      TYR  58  27.840 -11.582   5.993
  474    HH   TYR  58           HH       TYR  58  27.293 -10.669   3.954
  475    H    ARG  59           H        ARG  59  25.259 -14.569  10.706
  476    HA   ARG  59           HA       ARG  59  26.701 -15.872   8.575
  477    HB2  ARG  59           2HB      ARG  59  26.513 -16.390  11.567
  478    HB3  ARG  59           3HB      ARG  59  27.686 -17.161  10.486
  479    HG2  ARG  59           2HG      ARG  59  28.712 -15.043   9.946
  480    HG3  ARG  59           3HG      ARG  59  27.428 -14.127  10.767
  481    HD2  ARG  59           2HD      ARG  59  28.058 -15.053  12.918
  482    HD3  ARG  59           3HD      ARG  59  29.236 -16.131  12.138
  483    HE   ARG  59           HE       ARG  59  29.901 -13.486  11.404
  484   HH11  ARG  59          1HH1      ARG  59  29.764 -15.448  14.339
  485   HH12  ARG  59          2HH1      ARG  59  31.030 -14.550  15.146
  486   HH21  ARG  59          1HH2      ARG  59  31.555 -12.324  12.487
  487   HH22  ARG  59          2HH2      ARG  59  32.037 -12.783  14.099
  488    H    ALA  60           H        ALA  60  23.822 -16.628  10.432
  489    HA   ALA  60           HA       ALA  60  23.735 -19.387   9.363
  490    HB1  ALA  60           1HB      ALA  60  21.893 -17.895  11.275
  491    HB2  ALA  60           2HB      ALA  60  21.805 -19.624  10.863
  492    HB3  ALA  60           3HB      ALA  60  23.209 -18.989  11.747
  493    H    LEU  61           H        LEU  61  22.736 -16.246   8.444
  494    HA   LEU  61           HA       LEU  61  20.176 -16.923   7.314
  495    HB2  LEU  61           2HB      LEU  61  20.973 -14.637   8.120
  496    HB3  LEU  61           3HB      LEU  61  22.008 -14.571   6.681
  497    HG   LEU  61           HG       LEU  61  19.930 -14.843   5.274
  498   HD11  LEU  61          1HD1      LEU  61  18.605 -14.489   7.993
  499   HD12  LEU  61          2HD1      LEU  61  17.763 -14.327   6.432
  500   HD13  LEU  61          3HD1      LEU  61  18.435 -15.896   6.917
  501   HD21  LEU  61          3HD2      LEU  61  19.171 -12.526   5.665
  502   HD22  LEU  61          1HD2      LEU  61  19.967 -12.527   7.257
  503   HD23  LEU  61          2HD2      LEU  61  20.946 -12.642   5.770
  504    H    ASP  62           H        ASP  62  23.525 -17.054   6.245
  505    HA   ASP  62           HA       ASP  62  23.028 -17.315   3.435
  506    HB2  ASP  62           2HB      ASP  62  25.221 -16.819   4.506
  507    HB3  ASP  62           3HB      ASP  62  25.246 -18.466   5.168
  508    H    SER  63           H        SER  63  22.183 -19.319   6.078
  509    HA   SER  63           HA       SER  63  22.027 -21.732   4.354
  510    HB2  SER  63           2HB      SER  63  21.906 -21.456   7.379
  511    HB3  SER  63           3HB      SER  63  21.875 -22.974   6.464
  512    HG   SER  63           HG       SER  63  23.947 -22.445   5.676
  513    H    PHE  64           H        PHE  64  20.130 -19.158   5.093
  514    HA   PHE  64           HA       PHE  64  17.671 -20.521   5.838
  515    HB2  PHE  64           2HB      PHE  64  18.193 -18.209   6.495
  516    HB3  PHE  64           3HB      PHE  64  18.213 -17.727   4.797
  517    HD1  PHE  64           HD2      PHE  64  16.008 -19.215   7.426
  518    HD2  PHE  64           HD1      PHE  64  16.239 -17.011   3.748
  519    HE1  PHE  64           HE2      PHE  64  13.572 -18.770   7.545
  520    HE2  PHE  64           HE1      PHE  64  13.811 -16.528   3.880
  521    HZ   PHE  64           HZ       PHE  64  12.472 -17.409   5.777
  522    H    ARG  65           H        ARG  65  15.846 -20.865   4.495
  523    HA   ARG  65           HA       ARG  65  16.364 -20.753   1.562
  524    HB2  ARG  65           2HB      ARG  65  15.409 -23.187   3.116
  525    HB3  ARG  65           3HB      ARG  65  15.471 -23.050   1.348
  526    HG2  ARG  65           2HG      ARG  65  17.938 -22.672   1.487
  527    HG3  ARG  65           3HG      ARG  65  17.851 -22.885   3.250
  528    HD2  ARG  65           2HD      ARG  65  18.555 -24.970   2.210
  529    HD3  ARG  65           3HD      ARG  65  16.936 -25.171   2.919
  530    HE   ARG  65           HE       ARG  65  16.692 -24.387   0.183
  531   HH11  ARG  65          1HH1      ARG  65  17.666 -27.158   2.148
  532   HH12  ARG  65          2HH1      ARG  65  17.231 -28.329   0.921
  533   HH21  ARG  65          1HH2      ARG  65  16.124 -25.928  -1.391
  534   HH22  ARG  65          2HH2      ARG  65  16.362 -27.632  -1.079
  535    H    GLY  66           H        GLY  66  14.359 -19.710   3.949
  536    HA2  GLY  66           2HA      GLY  66  12.280 -18.729   3.801
  537    HA3  GLY  66           3HA      GLY  66  12.242 -19.130   2.079
  538    H    ASP  67           H        ASP  67  12.841 -21.845   4.167
  539    HA   ASP  67           HA       ASP  67  10.339 -23.089   3.444
  540    HB2  ASP  67           2HB      ASP  67  12.492 -24.286   3.780
  541    HB3  ASP  67           3HB      ASP  67  12.430 -23.892   5.502
  542    H    SER  68           H        SER  68  11.162 -20.812   5.823
  543    HA   SER  68           HA       SER  68   8.539 -21.112   7.122
  544    HB2  SER  68           2HB      SER  68   9.542 -20.886   9.366
  545    HB3  SER  68           3HB      SER  68  10.074 -22.382   8.574
  546    HG   SER  68           HG       SER  68  11.819 -21.265   9.520
  547    H    ALA  69           H        ALA  69   8.158 -19.081   8.553
  548    HA   ALA  69           HA       ALA  69   8.720 -16.771   6.928
  549    HB1  ALA  69           1HB      ALA  69   7.568 -16.992   9.736
  550    HB2  ALA  69           2HB      ALA  69   7.518 -15.555   8.686
  551    HB3  ALA  69           3HB      ALA  69   6.647 -17.031   8.216
  552    H    PHE  70           H        PHE  70  10.070 -14.977   7.352
  553    HA   PHE  70           HA       PHE  70  12.591 -15.703   8.494
  554    HB2  PHE  70           2HB      PHE  70  12.442 -14.127   6.645
  555    HB3  PHE  70           3HB      PHE  70  11.434 -13.039   7.614
  556    HD1  PHE  70           HD2      PHE  70  14.791 -14.730   7.754
  557    HD2  PHE  70           HD1      PHE  70  12.457 -11.239   8.667
  558    HE1  PHE  70           HE2      PHE  70  16.819 -13.598   8.632
  559    HE2  PHE  70           HE1      PHE  70  14.481 -10.109   9.540
  560    HZ   PHE  70           HZ       PHE  70  16.672 -11.289   9.513
  561    H    TYR  71           H        TYR  71   9.793 -13.882   9.809
  562    HA   TYR  71           HA       TYR  71  11.339 -12.734  11.944
  563    HB2  TYR  71           2HB      TYR  71   9.218 -12.082  12.890
  564    HB3  TYR  71           3HB      TYR  71   9.254 -11.750  11.160
  565    HD1  TYR  71           HD2      TYR  71   7.902 -14.023  13.773
  566    HD2  TYR  71           HD1      TYR  71   7.658 -12.743   9.671
  567    HE1  TYR  71           HE2      TYR  71   5.754 -15.240  13.522
  568    HE2  TYR  71           HE1      TYR  71   5.516 -13.953   9.412
  569    HH   TYR  71           HH       TYR  71   3.944 -15.272  10.429
  570    H    THR  72           H        THR  72   9.527 -15.803  11.606
  571    HA   THR  72           HA       THR  72   9.788 -16.436  14.435
  572    HB   THR  72           HB       THR  72   9.175 -18.213  12.035
  573    HG1  THR  72           1HG      THR  72   7.674 -16.512  12.414
  574   HG21  THR  72          1HG2      THR  72   8.729 -18.633  15.022
  575   HG22  THR  72          2HG2      THR  72   8.125 -19.693  13.733
  576   HG23  THR  72          3HG2      THR  72   9.876 -19.533  14.002
  577    H    TRP  73           H        TRP  73  11.642 -16.991  11.459
  578    HA   TRP  73           HA       TRP  73  13.468 -18.914  12.603
  579    HB2  TRP  73           2HB      TRP  73  13.050 -18.793  10.207
  580    HB3  TRP  73           3HB      TRP  73  13.568 -17.111  10.167
  581    HD1  TRP  73           HD1      TRP  73  14.900 -20.623  10.094
  582    HE1  TRP  73           HE1      TRP  73  17.424 -20.617   9.680
  583    HE3  TRP  73           HE3      TRP  73  15.785 -15.607  10.623
  584    HZ2  TRP  73           HZ2      TRP  73  19.588 -18.701   9.787
  585    HZ3  TRP  73           HZ3      TRP  73  18.088 -14.738  10.482
  586    HH2  TRP  73           HH2      TRP  73  19.993 -16.272  10.112
  587    H    LEU  74           H        LEU  74  13.269 -15.379  12.534
  588    HA   LEU  74           HA       LEU  74  16.070 -15.060  13.339
  589    HB2  LEU  74           2HB      LEU  74  14.989 -13.446  11.835
  590    HB3  LEU  74           3HB      LEU  74  13.763 -13.097  13.059
  591    HG   LEU  74           HG       LEU  74  15.566 -12.276  14.596
  592   HD11  LEU  74          1HD1      LEU  74  17.331 -12.622  12.133
  593   HD12  LEU  74          2HD1      LEU  74  17.790 -11.773  13.627
  594   HD13  LEU  74          3HD1      LEU  74  17.492 -13.520  13.662
  595   HD21  LEU  74          3HD2      LEU  74  15.928 -10.171  13.436
  596   HD22  LEU  74          1HD2      LEU  74  15.501 -10.920  11.874
  597   HD23  LEU  74          2HD2      LEU  74  14.272 -10.759  13.145
  598    H    TYR  75           H        TYR  75  12.812 -14.923  14.863
  599    HA   TYR  75           HA       TYR  75  13.841 -13.843  17.329
  600    HB2  TYR  75           2HB      TYR  75  11.260 -15.303  16.656
  601    HB3  TYR  75           3HB      TYR  75  11.599 -14.588  18.230
  602    HD1  TYR  75           HD1      TYR  75  13.118 -12.093  17.024
  603    HD2  TYR  75           HD2      TYR  75   9.306 -13.936  16.240
  604    HE1  TYR  75           HE1      TYR  75  12.247  -9.927  16.286
  605    HE2  TYR  75           HE2      TYR  75   8.425 -11.758  15.444
  606    HH   TYR  75           HH       TYR  75  10.436  -8.792  15.405
  607    H    ARG  76           H        ARG  76  13.820 -17.121  16.048
  608    HA   ARG  76           HA       ARG  76  14.329 -18.221  18.701
  609    HB2  ARG  76           2HB      ARG  76  14.830 -20.299  17.583
  610    HB3  ARG  76           3HB      ARG  76  13.322 -19.619  16.961
  611    HG2  ARG  76           2HG      ARG  76  14.474 -18.807  14.955
  612    HG3  ARG  76           3HG      ARG  76  16.043 -19.370  15.602
  613    HD2  ARG  76           2HD      ARG  76  15.094 -21.691  15.695
  614    HD3  ARG  76           3HD      ARG  76  13.640 -21.088  14.872
  615    HE   ARG  76           HE       ARG  76  15.802 -20.298  13.287
  616   HH11  ARG  76          1HH1      ARG  76  14.413 -23.340  14.442
  617   HH12  ARG  76          2HH1      ARG  76  15.009 -24.259  13.078
  618   HH21  ARG  76          1HH2      ARG  76  16.591 -21.535  11.545
  619   HH22  ARG  76          2HH2      ARG  76  16.222 -23.243  11.436
  620    H    ILE  77           H        ILE  77  16.264 -16.618  16.222
  621    HA   ILE  77           HA       ILE  77  18.795 -17.607  17.222
  622    HB   ILE  77           HB       ILE  77  18.292 -14.934  15.866
  623   HG12  ILE  77          2HG1      ILE  77  17.294 -16.616  14.428
  624   HG13  ILE  77          3HG1      ILE  77  18.772 -15.978  13.723
  625   HG21  ILE  77          1HG2      ILE  77  20.630 -15.274  15.094
  626   HG22  ILE  77          2HG2      ILE  77  20.506 -15.189  16.856
  627   HG23  ILE  77          3HG2      ILE  77  20.716 -16.764  16.062
  628   HD11  ILE  77          3HD1      ILE  77  20.005 -18.006  14.397
  629   HD12  ILE  77          1HD1      ILE  77  18.530 -18.654  15.160
  630   HD13  ILE  77          2HD1      ILE  77  18.595 -18.406  13.402
  631    H    ALA  78           H        ALA  78  16.592 -14.921  18.039
  632    HA   ALA  78           HA       ALA  78  18.534 -13.496  19.602
  633    HB1  ALA  78           1HB      ALA  78  16.618 -12.088  20.223
  634    HB2  ALA  78           2HB      ALA  78  16.626 -12.429  18.481
  635    HB3  ALA  78           3HB      ALA  78  15.502 -13.300  19.548
  636    H    VAL  79           H        VAL  79  15.917 -15.840  20.459
  637    HA   VAL  79           HA       VAL  79  16.397 -15.404  23.305
  638    HB   VAL  79           HB       VAL  79  14.170 -15.924  22.487
  639   HG11  VAL  79          1HG1      VAL  79  14.822 -17.422  20.597
  640   HG12  VAL  79          2HG1      VAL  79  15.271 -18.677  21.778
  641   HG13  VAL  79          3HG1      VAL  79  13.583 -18.140  21.653
  642   HG21  VAL  79          3HG2      VAL  79  15.275 -18.219  24.160
  643   HG22  VAL  79          1HG2      VAL  79  14.882 -16.606  24.789
  644   HG23  VAL  79          2HG2      VAL  79  13.596 -17.642  24.111
  645    H    ASN  80           H        ASN  80  17.558 -17.663  20.826
  646    HA   ASN  80           HA       ASN  80  18.721 -19.471  22.789
  647    HB2  ASN  80           2HB      ASN  80  19.105 -19.126  19.790
  648    HB3  ASN  80           3HB      ASN  80  19.924 -20.363  20.741
  649   HD21  ASN  80          2HD2      ASN  80  18.343 -21.219  18.684
  650   HD22  ASN  80          1HD2      ASN  80  16.897 -21.975  19.327
  651    H    THR  81           H        THR  81  19.687 -16.454  21.253
  652    HA   THR  81           HA       THR  81  22.501 -16.774  21.990
  653    HB   THR  81           HB       THR  81  20.922 -14.328  21.100
  654    HG1  THR  81           1HG      THR  81  21.008 -15.839  19.493
  655   HG21  THR  81          1HG2      THR  81  23.172 -13.430  20.528
  656   HG22  THR  81          2HG2      THR  81  23.006 -13.696  22.276
  657   HG23  THR  81          3HG2      THR  81  23.924 -14.853  21.284
  658    H    ALA  82           H        ALA  82  19.529 -15.485  23.453
  659    HA   ALA  82           HA       ALA  82  20.930 -14.003  25.512
  660    HB1  ALA  82           1HB      ALA  82  18.689 -13.745  26.467
  661    HB2  ALA  82           2HB      ALA  82  18.636 -13.461  24.710
  662    HB3  ALA  82           3HB      ALA  82  18.057 -15.005  25.379
  663    H    LYS  83           H        LYS  83  19.629 -17.316  25.206
  664    HA   LYS  83           HA       LYS  83  20.105 -17.923  28.012
  665    HB2  LYS  83           2HB      LYS  83  19.526 -19.628  25.564
  666    HB3  LYS  83           3HB      LYS  83  19.732 -20.296  27.202
  667    HG2  LYS  83           2HG      LYS  83  17.893 -18.926  28.048
  668    HG3  LYS  83           3HG      LYS  83  17.690 -18.152  26.461
  669    HD2  LYS  83           2HD      LYS  83  17.109 -20.317  25.451
  670    HD3  LYS  83           3HD      LYS  83  17.357 -21.130  27.010
  671    HE2  LYS  83           2HE      LYS  83  15.319 -18.920  26.505
  672    HE3  LYS  83           3HE      LYS  83  14.951 -20.649  26.488
  673    HZ1  LYS  83           3HZ      LYS  83  16.015 -19.174  28.805
  674    HZ2  LYS  83           1HZ      LYS  83  14.459 -19.678  28.612
  675    HZ3  LYS  83           2HZ      LYS  83  15.662 -20.781  28.766
  676    H    ASN  84           H        ASN  84  21.962 -18.046  25.004
  677    HA   ASN  84           HA       ASN  84  24.164 -19.536  26.164
  678    HB2  ASN  84           2HB      ASN  84  23.615 -19.412  23.710
  679    HB3  ASN  84           3HB      ASN  84  24.088 -17.709  23.730
  680   HD21  ASN  84          2HD2      ASN  84  25.762 -18.093  22.200
  681   HD22  ASN  84          1HD2      ASN  84  27.240 -18.913  22.664
  682    H    TYR  85           H        TYR  85  23.058 -16.207  26.193
  683    HA   TYR  85           HA       TYR  85  25.645 -15.037  26.788
  684    HB2  TYR  85           2HB      TYR  85  23.741 -13.877  25.656
  685    HB3  TYR  85           3HB      TYR  85  22.844 -13.943  27.177
  686    HD1  TYR  85           HD1      TYR  85  25.655 -12.400  25.375
  687    HD2  TYR  85           HD2      TYR  85  23.459 -12.533  29.063
  688    HE1  TYR  85           HE1      TYR  85  26.740 -10.286  26.079
  689    HE2  TYR  85           HE2      TYR  85  24.550 -10.423  29.798
  690    HH   TYR  85           HH       TYR  85  26.938  -8.707  27.741
  691    H    LEU  86           H        LEU  86  22.822 -16.216  28.671
  692    HA   LEU  86           HA       LEU  86  23.825 -15.134  31.160
  693    HB2  LEU  86           2HB      LEU  86  21.759 -17.278  30.532
  694    HB3  LEU  86           3HB      LEU  86  22.128 -16.695  32.161
  695    HG   LEU  86           HG       LEU  86  21.005 -14.996  29.899
  696   HD11  LEU  86          1HD1      LEU  86  19.893 -16.053  32.538
  697   HD12  LEU  86          2HD1      LEU  86  19.053 -14.919  31.467
  698   HD13  LEU  86          3HD1      LEU  86  19.407 -16.571  30.903
  699   HD21  LEU  86          3HD2      LEU  86  21.765 -14.311  32.775
  700   HD22  LEU  86          1HD2      LEU  86  22.468 -13.609  31.298
  701   HD23  LEU  86          2HD2      LEU  86  20.779 -13.278  31.717
  702    H    VAL  87           H        VAL  87  24.476 -18.129  29.363
  703    HA   VAL  87           HA       VAL  87  25.837 -19.240  31.733
  704    HB   VAL  87           HB       VAL  87  26.459 -21.099  30.253
  705   HG11  VAL  87          1HG1      VAL  87  24.189 -21.999  29.994
  706   HG12  VAL  87          2HG1      VAL  87  24.355 -21.122  31.532
  707   HG13  VAL  87          3HG1      VAL  87  23.506 -20.368  30.159
  708   HG21  VAL  87          3HG2      VAL  87  24.833 -19.618  28.155
  709   HG22  VAL  87          1HG2      VAL  87  26.593 -19.889  28.104
  710   HG23  VAL  87          2HG2      VAL  87  25.478 -21.270  28.003
  711    H    ALA  88           H        ALA  88  26.621 -17.187  29.017
  712    HA   ALA  88           HA       ALA  88  29.455 -17.749  29.045
  713    HB1  ALA  88           1HB      ALA  88  28.311 -16.699  27.116
  714    HB2  ALA  88           2HB      ALA  88  27.901 -15.292  28.127
  715    HB3  ALA  88           3HB      ALA  88  29.599 -15.645  27.742
  716    H    GLN  89           H        GLN  89  27.278 -15.723  30.939
  717    HA   GLN  89           HA       GLN  89  29.580 -14.525  32.405
  718    HB2  GLN  89           2HB      GLN  89  26.655 -13.872  32.050
  719    HB3  GLN  89           3HB      GLN  89  27.482 -13.358  33.527
  720    HG2  GLN  89           2HG      GLN  89  27.529 -11.589  31.833
  721    HG3  GLN  89           3HG      GLN  89  29.153 -12.138  32.277
  722   HE21  GLN  89          2HE2      GLN  89  26.554 -12.650  29.821
  723   HE22  GLN  89          1HE2      GLN  89  27.646 -12.912  28.482
  724    H    GLY  90           H        GLY  90  27.023 -16.946  32.667
  725    HA2  GLY  90           2HA      GLY  90  27.070 -17.096  35.552
  726    HA3  GLY  90           3HA      GLY  90  26.372 -18.276  34.420
  727    H    ARG  91           H        ARG  91  29.032 -18.450  32.955
  728    HA   ARG  91           HA       ARG  91  30.306 -20.383  34.775
  729    HB2  ARG  91           2HB      ARG  91  30.665 -19.781  31.818
  730    HB3  ARG  91           3HB      ARG  91  31.646 -20.955  32.717
  731    HG2  ARG  91           2HG      ARG  91  29.569 -22.167  33.379
  732    HG3  ARG  91           3HG      ARG  91  28.616 -21.039  32.399
  733    HD2  ARG  91           2HD      ARG  91  29.031 -23.068  31.118
  734    HD3  ARG  91           3HD      ARG  91  29.922 -21.721  30.389
  735    HE   ARG  91           HE       ARG  91  31.634 -23.003  32.247
  736   HH11  ARG  91          1HH1      ARG  91  30.062 -23.680  29.154
  737   HH12  ARG  91          2HH1      ARG  91  31.293 -24.808  28.635
  738   HH21  ARG  91          1HH2      ARG  91  33.231 -24.474  31.549
  739   HH22  ARG  91          2HH2      ARG  91  33.079 -25.266  29.997
  740    H    ARG  92           H        ARG  92  30.529 -17.154  34.485
  741    HA   ARG  92           HA       ARG  92  33.434 -17.163  35.124
  742    HB2  ARG  92           2HB      ARG  92  32.767 -16.073  32.939
  743    HB3  ARG  92           3HB      ARG  92  31.903 -14.846  33.888
  744    HG2  ARG  92           2HG      ARG  92  34.000 -14.169  34.972
  745    HG3  ARG  92           3HG      ARG  92  34.848 -15.547  34.240
  746    HD2  ARG  92           2HD      ARG  92  35.409 -13.564  33.001
  747    HD3  ARG  92           3HD      ARG  92  34.392 -14.585  31.985
  748    HE   ARG  92           HE       ARG  92  33.575 -12.054  33.351
  749   HH11  ARG  92          1HH1      ARG  92  32.885 -14.577  30.950
  750   HH12  ARG  92          2HH1      ARG  92  31.557 -13.677  30.251
  751   HH21  ARG  92          1HH2      ARG  92  31.871 -10.913  32.355
  752   HH22  ARG  92          2HH2      ARG  92  31.016 -11.635  31.007
  753    H    LEU  93           H        LEU  93  30.680 -17.353  36.592
  754    HA   LEU  93           HA       LEU  93  31.463 -15.629  38.838
  755    HB2  LEU  93           2HB      LEU  93  29.861 -14.375  37.353
  756    HB3  LEU  93           3HB      LEU  93  28.668 -15.650  37.625
  757    HG   LEU  93           HG       LEU  93  28.581 -15.072  40.034
  758   HD11  LEU  93          1HD1      LEU  93  30.639 -12.958  39.278
  759   HD12  LEU  93          2HD1      LEU  93  29.788 -13.049  40.838
  760   HD13  LEU  93          3HD1      LEU  93  30.909 -14.340  40.376
  761   HD21  LEU  93          3HD2      LEU  93  28.386 -12.633  38.227
  762   HD22  LEU  93          1HD2      LEU  93  27.130 -13.872  38.441
  763   HD23  LEU  93          2HD2      LEU  93  27.601 -12.841  39.810
  764    H    GLU  94           H        GLU  94  31.177 -18.614  37.909
  765    HA   GLU  94           HA       GLU  94  29.024 -19.749  39.404
  766    HB2  GLU  94           2HB      GLU  94  30.188 -20.720  37.395
  767    HB3  GLU  94           3HB      GLU  94  31.592 -21.043  38.419
  768    HG2  GLU  94           2HG      GLU  94  30.274 -23.062  38.193
  769    HG3  GLU  94           3HG      GLU  94  30.170 -22.509  39.862
  770    H    LEU  95           H        LEU  95  32.234 -18.713  40.338
  771    HA   LEU  95           HA       LEU  95  31.664 -19.556  43.100
  772    HB2  LEU  95           2HB      LEU  95  32.858 -21.475  42.060
  773    HB3  LEU  95           3HB      LEU  95  34.174 -20.390  41.585
  774    HG   LEU  95           HG       LEU  95  34.674 -19.929  43.962
  775   HD11  LEU  95          1HD1      LEU  95  32.457 -21.951  44.510
  776   HD12  LEU  95          2HD1      LEU  95  33.588 -21.305  45.725
  777   HD13  LEU  95          3HD1      LEU  95  32.425 -20.223  44.937
  778   HD21  LEU  95          3HD2      LEU  95  34.455 -22.895  43.308
  779   HD22  LEU  95          1HD2      LEU  95  35.771 -21.805  42.798
  780   HD23  LEU  95          2HD2      LEU  95  35.541 -22.164  44.517
  781    H    VAL  96           H        VAL  96  33.601 -17.731  40.742
  782    HA   VAL  96           HA       VAL  96  33.966 -15.604  42.721
  783    HB   VAL  96           HB       VAL  96  35.905 -17.042  43.110
  784   HG11  VAL  96          1HG1      VAL  96  36.018 -18.153  40.891
  785   HG12  VAL  96          2HG1      VAL  96  36.590 -16.625  40.176
  786   HG13  VAL  96          3HG1      VAL  96  37.579 -17.473  41.384
  787   HG21  VAL  96          3HG2      VAL  96  36.657 -14.516  41.584
  788   HG22  VAL  96          1HG2      VAL  96  36.266 -14.638  43.320
  789   HG23  VAL  96          2HG2      VAL  96  37.716 -15.427  42.679
  790    HA   PRO  97           HA       PRO  97  33.092 -13.486  38.924
  791    HB2  PRO  97           2HB      PRO  97  33.706 -10.910  39.623
  792    HB3  PRO  97           3HB      PRO  97  32.269 -11.773  40.265
  793    HG2  PRO  97           2HG      PRO  97  34.984 -11.461  41.581
  794    HG3  PRO  97           3HG      PRO  97  33.364 -11.151  42.295
  795    HD2  PRO  97           2HD      PRO  97  34.649 -13.508  42.702
  796    HD3  PRO  97           3HD      PRO  97  32.879 -13.468  42.420
  797    H    ARG  98           H        ARG  98  34.237 -13.406  37.128
  798    HA   ARG  98           HA       ARG  98  35.960 -13.370  35.667
  799    HB2  ARG  98           2HB      ARG  98  36.798 -10.977  37.338
  800    HB3  ARG  98           3HB      ARG  98  37.330 -11.337  35.685
  801    HG2  ARG  98           2HG      ARG  98  34.973 -11.229  34.903
  802    HG3  ARG  98           3HG      ARG  98  34.453 -10.837  36.558
  803    HD2  ARG  98           2HD      ARG  98  34.621  -8.788  35.266
  804    HD3  ARG  98           3HD      ARG  98  35.874  -8.802  36.515
  805    HE   ARG  98           HE       ARG  98  36.984  -9.904  34.148
  806   HH11  ARG  98          1HH1      ARG  98  35.737  -6.819  35.339
  807   HH12  ARG  98          2HH1      ARG  98  36.752  -5.865  34.283
  808   HH21  ARG  98          1HH2      ARG  98  38.309  -8.632  32.785
  809   HH22  ARG  98          2HH2      ARG  98  38.204  -6.887  32.843
  810    H    GLY  99           H        GLY  99  36.467 -14.893  38.315
  811    HA2  GLY  99           2HA      GLY  99  39.438 -15.092  37.988
  812    HA3  GLY  99           3HA      GLY  99  38.589 -15.333  39.523
  813    H    SER 100           H        SER 100  36.578 -16.649  37.220
  814    HA   SER 100           HA       SER 100  37.409 -19.361  37.952
  815    HB2  SER 100           2HB      SER 100  35.043 -18.631  38.043
  816    HB3  SER 100           3HB      SER 100  35.065 -18.396  36.283
  817    HG   SER 100           HG       SER 100  34.272 -20.465  36.886
  818    H    HIS 101           H        HIS 101  37.615 -21.083  36.361
  819    HA   HIS 101           HA       HIS 101  38.298 -20.308  33.609
  820    HB2  HIS 101           2HB      HIS 101  40.507 -21.331  33.714
  821    HB3  HIS 101           3HB      HIS 101  40.399 -19.986  34.853
  822    HD2  HIS 101           HD2      HIS 101  40.966 -23.751  34.672
  823    HE1  HIS 101           HE1      HIS 101  41.145 -22.752  38.801
  824    HE2  HIS 101           HE2      HIS 101  41.541 -24.591  37.086
  825    H    HIS 102           H        HIS 102  38.643 -22.220  32.231
  826    HA   HIS 102           HA       HIS 102  37.451 -24.717  33.303
  827    HB2  HIS 102           2HB      HIS 102  36.517 -23.241  30.813
  828    HB3  HIS 102           3HB      HIS 102  35.966 -24.842  31.327
  829    HD2  HIS 102           HD2      HIS 102  35.697 -21.107  32.293
  830    HE1  HIS 102           HE1      HIS 102  32.758 -23.181  34.558
  831    HE2  HIS 102           HE2      HIS 102  33.677 -20.885  33.939
  832    H    HIS 103           H        HIS 103  40.155 -23.567  32.213
  833    HA   HIS 103           HA       HIS 103  40.638 -25.174  29.842
  834    HB2  HIS 103           2HB      HIS 103  42.559 -23.700  31.670
  835    HB3  HIS 103           3HB      HIS 103  42.929 -24.341  30.062
  836    HD2  HIS 103           HD2      HIS 103  42.177 -22.908  27.960
  837    HE1  HIS 103           HE1      HIS 103  40.390 -19.659  30.049
  838    HE2  HIS 103           HE2      HIS 103  41.151 -20.496  27.767
  839    H    HIS 104           H        HIS 104  42.316 -26.831  29.724
  840    HA   HIS 104           HA       HIS 104  42.759 -28.337  32.245
  841    HB2  HIS 104           2HB      HIS 104  41.734 -29.479  29.623
  842    HB3  HIS 104           3HB      HIS 104  42.232 -30.433  31.027
  843    HD2  HIS 104           HD2      HIS 104  39.301 -28.453  29.640
  844    HE1  HIS 104           HE1      HIS 104  38.110 -29.738  33.517
  845    HE2  HIS 104           HE2      HIS 104  37.323 -28.660  31.345
  846    H    HIS 105           H        HIS 105  44.316 -26.620  30.089
  847    HA   HIS 105           HA       HIS 105  46.221 -28.479  28.971
  848    HB2  HIS 105           2HB      HIS 105  45.670 -26.293  27.960
  849    HB3  HIS 105           3HB      HIS 105  46.359 -25.470  29.367
  850    HD2  HIS 105           HD2      HIS 105  47.525 -27.945  26.570
  851    HE1  HIS 105           HE1      HIS 105  50.857 -25.522  27.621
  852    HE2  HIS 105           HE2      HIS 105  50.027 -27.359  26.063
  853    H    HIS 106           H        HIS 106  48.494 -28.583  29.486
  854    HA   HIS 106           HA       HIS 106  49.328 -27.742  32.182
  855    HB2  HIS 106           2HB      HIS 106  48.256 -29.946  32.510
  856    HB3  HIS 106           3HB      HIS 106  49.281 -30.644  31.256
  857    HD2  HIS 106           HD2      HIS 106  51.700 -31.418  31.937
  858    HE1  HIS 106           HE1      HIS 106  51.692 -30.078  35.971
  859    HE2  HIS 106           HE2      HIS 106  52.965 -31.433  34.231
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -0.488  -5.633  -4.728
    2    H2   MET   1           H2       MET   1  -1.227  -4.637  -3.641
    3    H3   MET   1           H3       MET   1  -0.206  -5.815  -3.113
    4    HA   MET   1           HA       MET   1   1.656  -4.768  -4.157
    5    HB2  MET   1           2HB      MET   1   0.334  -3.747  -5.996
    6    HB3  MET   1           3HB      MET   1  -0.352  -2.587  -4.844
    7    HG2  MET   1           2HG      MET   1   1.900  -1.705  -4.369
    8    HG3  MET   1           3HG      MET   1   2.615  -2.932  -5.424
    9    HE1  MET   1           1HE      MET   1  -0.636  -0.694  -5.985
   10    HE2  MET   1           2HE      MET   1   0.545   0.353  -5.155
   11    HE3  MET   1           3HE      MET   1   0.092   0.684  -6.843
   12    H    SER   2           H        SER   2   2.969  -3.465  -2.858
   13    HA   SER   2           HA       SER   2   1.637  -2.044  -0.617
   14    HB2  SER   2           2HB      SER   2   3.273  -3.026   0.949
   15    HB3  SER   2           3HB      SER   2   2.276  -4.282   0.182
   16    HG   SER   2           HG       SER   2   4.488  -4.834   0.135
   17    H    GLU   3           H        GLU   3   3.708  -1.868  -3.200
   18    HA   GLU   3           HA       GLU   3   5.415  -0.598  -3.851
   19    HB2  GLU   3           2HB      GLU   3   5.119   1.779  -3.581
   20    HB3  GLU   3           3HB      GLU   3   3.588   0.967  -3.904
   21    HG2  GLU   3           2HG      GLU   3   2.935   1.148  -1.558
   22    HG3  GLU   3           3HG      GLU   3   4.520   1.834  -1.138
   23    H    GLN   4           H        GLN   4   6.033  -2.084  -1.347
   24    HA   GLN   4           HA       GLN   4   8.514  -0.592  -0.787
   25    HB2  GLN   4           2HB      GLN   4   8.323  -0.856   1.612
   26    HB3  GLN   4           3HB      GLN   4   6.947   0.071   1.008
   27    HG2  GLN   4           2HG      GLN   4   5.570  -2.044   1.050
   28    HG3  GLN   4           3HG      GLN   4   6.959  -2.902   1.715
   29   HE21  GLN   4          2HE2      GLN   4   4.950  -3.216   3.293
   30   HE22  GLN   4          1HE2      GLN   4   4.948  -2.125   4.668
   31    H    LEU   5           H        LEU   5  10.014  -1.933   0.569
   32    HA   LEU   5           HA       LEU   5  10.061  -4.708  -0.480
   33    HB2  LEU   5           2HB      LEU   5  12.163  -3.033   0.913
   34    HB3  LEU   5           3HB      LEU   5  12.417  -4.613   0.144
   35    HG   LEU   5           HG       LEU   5  11.698  -1.987  -1.228
   36   HD11  LEU   5          1HD1      LEU   5  13.906  -2.292  -2.293
   37   HD12  LEU   5          2HD1      LEU   5  14.058  -2.254  -0.529
   38   HD13  LEU   5          3HD1      LEU   5  14.140  -3.809  -1.391
   39   HD21  LEU   5          3HD2      LEU   5  12.107  -4.741  -2.475
   40   HD22  LEU   5          1HD2      LEU   5  10.559  -3.864  -2.378
   41   HD23  LEU   5          2HD2      LEU   5  11.891  -3.215  -3.357
   42    H    THR   6           H        THR   6  10.610  -6.456   0.925
   43    HA   THR   6           HA       THR   6   9.910  -6.081   3.791
   44    HB   THR   6           HB       THR   6   8.616  -8.123   1.943
   45    HG1  THR   6           1HG      THR   6   6.789  -6.818   2.169
   46   HG21  THR   6          1HG2      THR   6   6.990  -8.285   3.898
   47   HG22  THR   6          2HG2      THR   6   8.599  -8.960   4.194
   48   HG23  THR   6          3HG2      THR   6   8.171  -7.362   4.854
   49    H    ASP   7           H        ASP   7  10.225  -8.332   4.932
   50    HA   ASP   7           HA       ASP   7  12.933  -9.027   4.755
   51    HB2  ASP   7           2HB      ASP   7  12.337 -10.887   6.243
   52    HB3  ASP   7           3HB      ASP   7  11.537  -9.383   6.724
   53    H    GLN   8           H        GLN   8  10.323 -10.088   2.718
   54    HA   GLN   8           HA       GLN   8  11.399 -12.606   1.897
   55    HB2  GLN   8           2HB      GLN   8   9.097 -11.939   1.437
   56    HB3  GLN   8           3HB      GLN   8   9.652 -10.557   0.474
   57    HG2  GLN   8           2HG      GLN   8   8.943 -12.402  -0.990
   58    HG3  GLN   8           3HG      GLN   8  10.669 -12.100  -1.173
   59   HE21  GLN   8          2HE2      GLN   8  12.203 -13.616  -0.232
   60   HE22  GLN   8          1HE2      GLN   8  11.707 -15.253   0.134
   61    H    VAL   9           H        VAL   9  11.663  -9.316   0.467
   62    HA   VAL   9           HA       VAL   9  13.624 -10.277  -1.490
   63    HB   VAL   9           HB       VAL   9  11.920  -8.786  -2.275
   64   HG11  VAL   9          1HG1      VAL   9  12.829  -6.838  -0.135
   65   HG12  VAL   9          2HG1      VAL   9  11.633  -6.506  -1.413
   66   HG13  VAL   9          3HG1      VAL   9  11.281  -7.725  -0.177
   67   HG21  VAL   9          3HG2      VAL   9  13.228  -6.975  -3.239
   68   HG22  VAL   9          1HG2      VAL   9  14.468  -7.143  -1.983
   69   HG23  VAL   9          2HG2      VAL   9  14.238  -8.436  -3.186
   70    H    LEU  10           H        LEU  10  13.601  -8.566   1.607
   71    HA   LEU  10           HA       LEU  10  16.265  -7.491   1.331
   72    HB2  LEU  10           2HB      LEU  10  14.215  -7.816   3.489
   73    HB3  LEU  10           3HB      LEU  10  15.906  -7.646   3.998
   74    HG   LEU  10           HG       LEU  10  16.155  -5.568   2.805
   75   HD11  LEU  10          1HD1      LEU  10  13.256  -5.910   1.948
   76   HD12  LEU  10          2HD1      LEU  10  14.243  -4.447   1.728
   77   HD13  LEU  10          3HD1      LEU  10  14.688  -5.937   0.882
   78   HD21  LEU  10          3HD2      LEU  10  14.557  -4.182   4.101
   79   HD22  LEU  10          1HD2      LEU  10  13.579  -5.631   4.431
   80   HD23  LEU  10          2HD2      LEU  10  15.227  -5.492   5.095
   81    H    VAL  11           H        VAL  11  14.987 -10.680   2.316
   82    HA   VAL  11           HA       VAL  11  17.628 -11.450   3.330
   83    HB   VAL  11           HB       VAL  11  15.063 -13.003   2.888
   84   HG11  VAL  11          1HG1      VAL  11  17.767 -13.916   3.958
   85   HG12  VAL  11          2HG1      VAL  11  16.240 -14.805   4.181
   86   HG13  VAL  11          3HG1      VAL  11  16.903 -14.565   2.550
   87   HG21  VAL  11          3HG2      VAL  11  15.172 -11.376   4.811
   88   HG22  VAL  11          1HG2      VAL  11  15.081 -13.065   5.352
   89   HG23  VAL  11          2HG2      VAL  11  16.637 -12.199   5.385
   90    H    GLU  12           H        GLU  12  15.821 -11.631   0.264
   91    HA   GLU  12           HA       GLU  12  17.654 -13.502  -0.976
   92    HB2  GLU  12           2HB      GLU  12  15.710 -11.432  -2.055
   93    HB3  GLU  12           3HB      GLU  12  16.670 -12.493  -3.099
   94    HG2  GLU  12           2HG      GLU  12  15.700 -14.478  -1.981
   95    HG3  GLU  12           3HG      GLU  12  14.701 -13.423  -0.970
   96    H    ARG  13           H        ARG  13  17.552  -9.970  -0.563
   97    HA   ARG  13           HA       ARG  13  19.587  -9.424  -2.520
   98    HB2  ARG  13           2HB      ARG  13  17.851  -7.835  -1.865
   99    HB3  ARG  13           3HB      ARG  13  18.488  -7.766  -0.211
  100    HG2  ARG  13           2HG      ARG  13  20.534  -6.729  -0.981
  101    HG3  ARG  13           3HG      ARG  13  20.115  -7.024  -2.685
  102    HD2  ARG  13           2HD      ARG  13  18.484  -5.287  -0.791
  103    HD3  ARG  13           3HD      ARG  13  19.697  -4.664  -1.931
  104    HE   ARG  13           HE       ARG  13  17.937  -6.235  -3.443
  105   HH11  ARG  13          1HH1      ARG  13  17.767  -3.305  -1.467
  106   HH12  ARG  13          2HH1      ARG  13  16.444  -2.627  -2.393
  107   HH21  ARG  13          1HH2      ARG  13  16.206  -5.328  -4.616
  108   HH22  ARG  13          2HH2      ARG  13  15.557  -3.774  -4.159
  109    H    VAL  14           H        VAL  14  19.670  -9.922   1.044
  110    HA   VAL  14           HA       VAL  14  22.468  -9.241   1.242
  111    HB   VAL  14           HB       VAL  14  22.326 -10.208   3.484
  112   HG11  VAL  14          1HG1      VAL  14  19.979  -8.468   2.622
  113   HG12  VAL  14          2HG1      VAL  14  20.447  -8.754   4.310
  114   HG13  VAL  14          3HG1      VAL  14  21.575  -7.935   3.193
  115   HG21  VAL  14          3HG2      VAL  14  20.169 -11.059   4.319
  116   HG22  VAL  14          1HG2      VAL  14  19.527 -11.045   2.661
  117   HG23  VAL  14          2HG2      VAL  14  20.878 -12.132   3.092
  118    H    GLN  15           H        GLN  15  20.704 -12.162   0.340
  119    HA   GLN  15           HA       GLN  15  23.031 -13.894   0.646
  120    HB2  GLN  15           2HB      GLN  15  20.335 -14.198  -0.711
  121    HB3  GLN  15           3HB      GLN  15  21.569 -15.475  -0.699
  122    HG2  GLN  15           2HG      GLN  15  21.570 -15.518   1.753
  123    HG3  GLN  15           3HG      GLN  15  20.431 -14.190   1.828
  124   HE21  GLN  15          2HE2      GLN  15  19.765 -16.508   3.143
  125   HE22  GLN  15          1HE2      GLN  15  18.475 -17.327   2.290
  126    H    LYS  16           H        LYS  16  21.858 -11.631  -1.769
  127    HA   LYS  16           HA       LYS  16  23.553 -12.652  -3.891
  128    HB2  LYS  16           2HB      LYS  16  21.434 -10.735  -3.586
  129    HB3  LYS  16           3HB      LYS  16  22.850  -9.880  -4.213
  130    HG2  LYS  16           2HG      LYS  16  21.671 -10.709  -6.122
  131    HG3  LYS  16           3HG      LYS  16  23.118 -11.707  -5.919
  132    HD2  LYS  16           2HD      LYS  16  21.273 -13.192  -6.412
  133    HD3  LYS  16           3HD      LYS  16  21.682 -13.418  -4.708
  134    HE2  LYS  16           2HE      LYS  16  19.279 -13.301  -4.896
  135    HE3  LYS  16           3HE      LYS  16  19.841 -11.821  -4.104
  136    HZ1  LYS  16           3HZ      LYS  16  19.672 -10.706  -6.231
  137    HZ2  LYS  16           1HZ      LYS  16  19.142 -12.085  -6.951
  138    HZ3  LYS  16           2HZ      LYS  16  18.223 -11.357  -5.801
  139    H    GLY  17           H        GLY  17  24.209 -11.095  -0.972
  140    HA2  GLY  17           2HA      GLY  17  26.484 -10.798  -0.335
  141    HA3  GLY  17           3HA      GLY  17  26.887 -10.316  -1.994
  142    H    ASP  18           H        ASP  18  23.973  -8.798  -1.217
  143    HA   ASP  18           HA       ASP  18  25.359  -6.252  -0.725
  144    HB2  ASP  18           2HB      ASP  18  22.557  -7.121  -1.457
  145    HB3  ASP  18           3HB      ASP  18  22.869  -5.481  -0.912
  146    H    GLN  19           H        GLN  19  26.154  -6.695   1.406
  147    HA   GLN  19           HA       GLN  19  24.478  -7.521   3.551
  148    HB2  GLN  19           2HB      GLN  19  26.923  -7.733   3.451
  149    HB3  GLN  19           3HB      GLN  19  27.110  -5.976   3.560
  150    HG2  GLN  19           2HG      GLN  19  25.596  -7.558   5.664
  151    HG3  GLN  19           3HG      GLN  19  27.357  -7.453   5.707
  152   HE21  GLN  19          2HE2      GLN  19  25.942  -6.516   7.860
  153   HE22  GLN  19          1HE2      GLN  19  26.045  -4.769   7.917
  154    H    LYS  20           H        LYS  20  24.840  -4.462   1.932
  155    HA   LYS  20           HA       LYS  20  24.097  -2.670   3.997
  156    HB2  LYS  20           2HB      LYS  20  23.492  -1.182   2.151
  157    HB3  LYS  20           3HB      LYS  20  24.996  -2.042   1.773
  158    HG2  LYS  20           2HG      LYS  20  23.656  -3.702   0.435
  159    HG3  LYS  20           3HG      LYS  20  22.210  -2.721   0.728
  160    HD2  LYS  20           2HD      LYS  20  23.345  -0.780  -0.356
  161    HD3  LYS  20           3HD      LYS  20  24.749  -1.820  -0.696
  162    HE2  LYS  20           2HE      LYS  20  23.262  -3.360  -1.973
  163    HE3  LYS  20           3HE      LYS  20  21.905  -2.253  -1.698
  164    HZ1  LYS  20           3HZ      LYS  20  22.933  -1.888  -3.826
  165    HZ2  LYS  20           1HZ      LYS  20  23.125  -0.560  -2.885
  166    HZ3  LYS  20           2HZ      LYS  20  24.389  -1.590  -3.123
  167    H    ALA  21           H        ALA  21  22.203  -5.040   2.191
  168    HA   ALA  21           HA       ALA  21  19.665  -3.791   2.929
  169    HB1  ALA  21           1HB      ALA  21  18.690  -5.786   1.851
  170    HB2  ALA  21           2HB      ALA  21  19.895  -4.986   0.812
  171    HB3  ALA  21           3HB      ALA  21  20.319  -6.484   1.680
  172    H    PHE  22           H        PHE  22  21.936  -6.021   4.397
  173    HA   PHE  22           HA       PHE  22  19.948  -7.253   6.127
  174    HB2  PHE  22           2HB      PHE  22  22.110  -8.359   5.537
  175    HB3  PHE  22           3HB      PHE  22  22.968  -7.098   6.414
  176    HD1  PHE  22           HD1      PHE  22  20.135  -9.533   6.905
  177    HD2  PHE  22           HD2      PHE  22  23.512  -7.527   8.663
  178    HE1  PHE  22           HE1      PHE  22  19.796 -10.802   8.996
  179    HE2  PHE  22           HE2      PHE  22  23.165  -8.796  10.764
  180    HZ   PHE  22           HZ       PHE  22  21.305 -10.428  10.939
  181    H    ASN  23           H        ASN  23  22.217  -4.495   6.236
  182    HA   ASN  23           HA       ASN  23  21.888  -3.800   8.976
  183    HB2  ASN  23           2HB      ASN  23  23.643  -2.825   7.672
  184    HB3  ASN  23           3HB      ASN  23  22.503  -2.287   6.426
  185   HD21  ASN  23          2HD2      ASN  23  21.490  -0.340   6.593
  186   HD22  ASN  23          1HD2      ASN  23  21.703   0.760   7.933
  187    H    LEU  24           H        LEU  24  20.036  -2.921   6.031
  188    HA   LEU  24           HA       LEU  24  18.166  -1.274   7.511
  189    HB2  LEU  24           2HB      LEU  24  18.031  -2.474   4.723
  190    HB3  LEU  24           3HB      LEU  24  16.939  -1.228   5.377
  191    HG   LEU  24           HG       LEU  24  19.956  -0.881   5.112
  192   HD11  LEU  24          1HD1      LEU  24  17.695   0.089   3.322
  193   HD12  LEU  24          2HD1      LEU  24  19.419   0.524   3.163
  194   HD13  LEU  24          3HD1      LEU  24  18.902  -1.157   2.913
  195   HD21  LEU  24          3HD2      LEU  24  17.696   1.095   5.641
  196   HD22  LEU  24          1HD2      LEU  24  18.924   0.572   6.818
  197   HD23  LEU  24          2HD2      LEU  24  19.403   1.520   5.397
  198    H    LEU  25           H        LEU  25  18.451  -4.697   6.948
  199    HA   LEU  25           HA       LEU  25  15.604  -5.230   7.379
  200    HB2  LEU  25           2HB      LEU  25  16.956  -6.666   5.914
  201    HB3  LEU  25           3HB      LEU  25  18.074  -7.004   7.237
  202    HG   LEU  25           HG       LEU  25  16.254  -8.146   8.487
  203   HD11  LEU  25          1HD1      LEU  25  14.645  -7.651   5.943
  204   HD12  LEU  25          2HD1      LEU  25  14.159  -8.707   7.285
  205   HD13  LEU  25          3HD1      LEU  25  14.300  -6.955   7.549
  206   HD21  LEU  25          3HD2      LEU  25  16.121 -10.108   6.963
  207   HD22  LEU  25          1HD2      LEU  25  16.692  -9.095   5.620
  208   HD23  LEU  25          2HD2      LEU  25  17.753  -9.408   7.011
  209    H    VAL  26           H        VAL  26  18.644  -5.367   9.347
  210    HA   VAL  26           HA       VAL  26  17.198  -6.608  11.510
  211    HB   VAL  26           HB       VAL  26  19.136  -6.277  12.864
  212   HG11  VAL  26          1HG1      VAL  26  20.823  -7.437  11.510
  213   HG12  VAL  26          2HG1      VAL  26  19.205  -8.118  11.253
  214   HG13  VAL  26          3HG1      VAL  26  19.923  -7.052  10.029
  215   HG21  VAL  26          3HG2      VAL  26  20.225  -4.525  10.636
  216   HG22  VAL  26          1HG2      VAL  26  19.735  -4.008  12.277
  217   HG23  VAL  26          2HG2      VAL  26  21.130  -5.081  12.062
  218    H    VAL  27           H        VAL  27  17.587  -3.206  10.538
  219    HA   VAL  27           HA       VAL  27  17.037  -2.162  13.160
  220    HB   VAL  27           HB       VAL  27  16.378  -0.084  11.960
  221   HG11  VAL  27          1HG1      VAL  27  18.605   0.342  10.971
  222   HG12  VAL  27          2HG1      VAL  27  18.722  -0.478  12.549
  223   HG13  VAL  27          3HG1      VAL  27  18.963  -1.396  11.043
  224   HG21  VAL  27          3HG2      VAL  27  15.425  -1.130   9.918
  225   HG22  VAL  27          1HG2      VAL  27  16.691   0.063   9.547
  226   HG23  VAL  27          2HG2      VAL  27  17.068  -1.673   9.473
  227    H    ARG  28           H        ARG  28  14.974  -3.535  10.635
  228    HA   ARG  28           HA       ARG  28  12.495  -2.473  11.656
  229    HB2  ARG  28           2HB      ARG  28  12.906  -5.099  10.173
  230    HB3  ARG  28           3HB      ARG  28  11.456  -4.081  10.212
  231    HG2  ARG  28           2HG      ARG  28  12.793  -2.287   9.010
  232    HG3  ARG  28           3HG      ARG  28  14.147  -3.428   8.937
  233    HD2  ARG  28           2HD      ARG  28  13.025  -3.560   6.834
  234    HD3  ARG  28           3HD      ARG  28  12.684  -5.055   7.716
  235    HE   ARG  28           HE       ARG  28  10.526  -3.611   8.394
  236   HH11  ARG  28          1HH1      ARG  28  12.058  -4.019   5.233
  237   HH12  ARG  28          2HH1      ARG  28  10.559  -3.813   4.353
  238   HH21  ARG  28          1HH2      ARG  28   8.596  -3.315   7.214
  239   HH22  ARG  28          2HH2      ARG  28   8.616  -3.419   5.468
  240    H    TYR  29           H        TYR  29  14.565  -5.220  12.383
  241    HA   TYR  29           HA       TYR  29  12.590  -6.282  14.316
  242    HB2  TYR  29           2HB      TYR  29  15.148  -7.421  13.140
  243    HB3  TYR  29           3HB      TYR  29  14.204  -8.208  14.388
  244    HD1  TYR  29           HD1      TYR  29  13.949  -6.921  10.887
  245    HD2  TYR  29           HD2      TYR  29  12.299  -9.463  13.925
  246    HE1  TYR  29           HE1      TYR  29  12.362  -7.847   9.223
  247    HE2  TYR  29           HE2      TYR  29  10.723 -10.430  12.269
  248    HH   TYR  29           HH       TYR  29  10.639  -9.328   8.856
  249    H    GLN  30           H        GLN  30  15.220  -4.118  14.350
  250    HA   GLN  30           HA       GLN  30  16.616  -5.007  16.654
  251    HB2  GLN  30           2HB      GLN  30  17.365  -3.370  14.941
  252    HB3  GLN  30           3HB      GLN  30  16.220  -2.186  15.586
  253    HG2  GLN  30           2HG      GLN  30  17.447  -2.176  17.725
  254    HG3  GLN  30           3HG      GLN  30  18.527  -3.454  17.131
  255   HE21  GLN  30          2HE2      GLN  30  19.431  -2.891  14.784
  256   HE22  GLN  30          1HE2      GLN  30  20.086  -1.276  14.624
  257    H    HIS  31           H        HIS  31  13.601  -3.182  16.274
  258    HA   HIS  31           HA       HIS  31  13.452  -2.627  19.157
  259    HB2  HIS  31           2HB      HIS  31  12.624  -1.010  17.502
  260    HB3  HIS  31           3HB      HIS  31  11.474  -2.209  16.894
  261    HD2  HIS  31           HD2      HIS  31  12.264  -0.361  20.256
  262    HE1  HIS  31           HE1      HIS  31   8.072  -1.075  20.120
  263    HE2  HIS  31           HE2      HIS  31   9.962   0.001  21.452
  264    H    LYS  32           H        LYS  32  12.210  -5.009  16.823
  265    HA   LYS  32           HA       LYS  32  10.148  -5.974  18.650
  266    HB2  LYS  32           2HB      LYS  32  11.221  -7.132  16.044
  267    HB3  LYS  32           3HB      LYS  32   9.751  -7.648  16.896
  268    HG2  LYS  32           2HG      LYS  32   8.776  -5.394  16.602
  269    HG3  LYS  32           3HG      LYS  32  10.246  -4.862  15.755
  270    HD2  LYS  32           2HD      LYS  32   9.895  -6.602  14.029
  271    HD3  LYS  32           3HD      LYS  32   8.405  -7.121  14.861
  272    HE2  LYS  32           2HE      LYS  32   7.449  -4.868  14.561
  273    HE3  LYS  32           3HE      LYS  32   8.927  -4.338  13.742
  274    HZ1  LYS  32           3HZ      LYS  32   7.229  -4.958  12.175
  275    HZ2  LYS  32           1HZ      LYS  32   8.497  -5.999  12.051
  276    HZ3  LYS  32           2HZ      LYS  32   7.112  -6.468  12.806
  277    H    VAL  33           H        VAL  33  13.442  -6.941  17.733
  278    HA   VAL  33           HA       VAL  33  13.350  -9.524  19.026
  279    HB   VAL  33           HB       VAL  33  15.667  -7.727  18.141
  280   HG11  VAL  33          1HG1      VAL  33  15.507 -10.693  18.651
  281   HG12  VAL  33          2HG1      VAL  33  16.933  -9.807  18.037
  282   HG13  VAL  33          3HG1      VAL  33  16.364  -9.546  19.725
  283   HG21  VAL  33          3HG2      VAL  33  15.778  -9.083  16.194
  284   HG22  VAL  33          1HG2      VAL  33  14.571 -10.231  16.818
  285   HG23  VAL  33          2HG2      VAL  33  14.045  -8.605  16.335
  286    H    ALA  34           H        ALA  34  14.395  -6.216  19.882
  287    HA   ALA  34           HA       ALA  34  15.603  -6.862  22.372
  288    HB1  ALA  34           1HB      ALA  34  14.154  -4.334  21.462
  289    HB2  ALA  34           2HB      ALA  34  15.269  -4.453  22.844
  290    HB3  ALA  34           3HB      ALA  34  15.871  -4.703  21.194
  291    H    SER  35           H        SER  35  12.204  -6.569  21.388
  292    HA   SER  35           HA       SER  35  11.189  -6.194  24.061
  293    HB2  SER  35           2HB      SER  35  10.010  -5.534  21.960
  294    HB3  SER  35           3HB      SER  35   9.793  -7.258  21.578
  295    HG   SER  35           HG       SER  35   7.989  -6.354  22.666
  296    H    LEU  36           H        LEU  36  11.421  -9.071  21.864
  297    HA   LEU  36           HA       LEU  36  10.233 -10.771  23.882
  298    HB2  LEU  36           2HB      LEU  36  10.518 -12.549  22.328
  299    HB3  LEU  36           3HB      LEU  36  10.040 -11.105  21.412
  300    HG   LEU  36           HG       LEU  36  12.670 -10.825  21.103
  301   HD11  LEU  36          1HD1      LEU  36  13.335 -12.782  22.536
  302   HD12  LEU  36          2HD1      LEU  36  12.336 -13.840  21.518
  303   HD13  LEU  36          3HD1      LEU  36  13.768 -13.041  20.840
  304   HD21  LEU  36          3HD2      LEU  36  10.984 -12.916  19.679
  305   HD22  LEU  36          1HD2      LEU  36  11.046 -11.178  19.296
  306   HD23  LEU  36          2HD2      LEU  36  12.488 -12.192  19.058
  307    H    VAL  37           H        VAL  37  13.517  -9.752  23.126
  308    HA   VAL  37           HA       VAL  37  14.634 -11.985  24.652
  309    HB   VAL  37           HB       VAL  37  15.614 -10.858  22.544
  310   HG11  VAL  37          1HG1      VAL  37  16.773  -9.065  24.705
  311   HG12  VAL  37          2HG1      VAL  37  17.134  -9.009  22.964
  312   HG13  VAL  37          3HG1      VAL  37  15.519  -8.544  23.561
  313   HG21  VAL  37          3HG2      VAL  37  17.379 -11.372  24.963
  314   HG22  VAL  37          1HG2      VAL  37  16.731 -12.620  23.866
  315   HG23  VAL  37          2HG2      VAL  37  17.878 -11.407  23.257
  316    H    SER  38           H        SER  38  13.447  -8.798  25.392
  317    HA   SER  38           HA       SER  38  15.151  -8.174  27.600
  318    HB2  SER  38           2HB      SER  38  12.380  -7.351  26.730
  319    HB3  SER  38           3HB      SER  38  13.053  -6.815  28.285
  320    HG   SER  38           HG       SER  38  14.067  -6.359  25.691
  321    H    ARG  39           H        ARG  39  12.724 -10.649  27.255
  322    HA   ARG  39           HA       ARG  39  12.375 -10.789  30.184
  323    HB2  ARG  39           2HB      ARG  39  10.688 -12.397  29.814
  324    HB3  ARG  39           3HB      ARG  39  10.444 -11.122  28.599
  325    HG2  ARG  39           2HG      ARG  39  11.670 -12.592  26.951
  326    HG3  ARG  39           3HG      ARG  39  11.722 -13.863  28.198
  327    HD2  ARG  39           2HD      ARG  39   9.240 -13.781  28.350
  328    HD3  ARG  39           3HD      ARG  39   9.221 -12.590  27.035
  329    HE   ARG  39           HE       ARG  39  10.622 -15.115  26.460
  330   HH11  ARG  39          1HH1      ARG  39   7.585 -13.310  26.228
  331   HH12  ARG  39          2HH1      ARG  39   6.957 -14.314  24.944
  332   HH21  ARG  39          1HH2      ARG  39   9.776 -16.410  24.818
  333   HH22  ARG  39          2HH2      ARG  39   8.201 -16.062  24.136
  334    H    TYR  40           H        TYR  40  14.703 -11.779  28.022
  335    HA   TYR  40           HA       TYR  40  15.360 -14.177  29.669
  336    HB2  TYR  40           2HB      TYR  40  16.127 -13.479  26.818
  337    HB3  TYR  40           3HB      TYR  40  16.710 -14.883  27.715
  338    HD1  TYR  40           HD1      TYR  40  14.978 -16.588  28.568
  339    HD2  TYR  40           HD2      TYR  40  14.078 -13.582  25.624
  340    HE1  TYR  40           HE1      TYR  40  13.026 -17.917  27.804
  341    HE2  TYR  40           HE2      TYR  40  12.167 -14.931  24.817
  342    HH   TYR  40           HH       TYR  40  11.277 -18.055  26.328
  343    H    VAL  41           H        VAL  41  16.396 -10.969  28.694
  344    HA   VAL  41           HA       VAL  41  18.625 -11.226  30.615
  345    HB   VAL  41           HB       VAL  41  20.049  -9.806  29.073
  346   HG11  VAL  41          1HG1      VAL  41  20.470 -12.207  29.489
  347   HG12  VAL  41          2HG1      VAL  41  19.415 -12.625  28.121
  348   HG13  VAL  41          3HG1      VAL  41  20.918 -11.719  27.840
  349   HG21  VAL  41          3HG2      VAL  41  18.127 -10.827  26.945
  350   HG22  VAL  41          1HG2      VAL  41  18.254  -9.137  27.486
  351   HG23  VAL  41          2HG2      VAL  41  19.628  -9.911  26.675
  352    HA   PRO  42           HA       PRO  42  16.943  -7.464  32.043
  353    HB2  PRO  42           2HB      PRO  42  19.069  -6.209  33.216
  354    HB3  PRO  42           3HB      PRO  42  18.389  -7.747  33.843
  355    HG2  PRO  42           2HG      PRO  42  20.746  -7.388  31.966
  356    HG3  PRO  42           3HG      PRO  42  20.697  -8.328  33.499
  357    HD2  PRO  42           2HD      PRO  42  20.336  -9.541  31.108
  358    HD3  PRO  42           3HD      PRO  42  19.339 -10.016  32.511
  359    H    SER  43           H        SER  43  17.184  -5.024  31.969
  360    HA   SER  43           HA       SER  43  17.259  -4.240  29.241
  361    HB2  SER  43           2HB      SER  43  17.247  -2.533  31.754
  362    HB3  SER  43           3HB      SER  43  16.787  -2.004  30.120
  363    HG   SER  43           HG       SER  43  14.983  -2.628  31.395
  364    H    GLY  44           H        GLY  44  19.864  -4.582  31.476
  365    HA2  GLY  44           2HA      GLY  44  21.523  -2.486  30.247
  366    HA3  GLY  44           3HA      GLY  44  21.969  -3.610  31.543
  367    H    ASP  45           H        ASP  45  20.829  -5.883  29.718
  368    HA   ASP  45           HA       ASP  45  23.328  -6.163  28.109
  369    HB2  ASP  45           2HB      ASP  45  21.728  -8.222  29.654
  370    HB3  ASP  45           3HB      ASP  45  23.051  -8.601  28.536
  371    H    VAL  46           H        VAL  46  19.990  -5.751  27.839
  372    HA   VAL  46           HA       VAL  46  19.414  -7.617  25.769
  373    HB   VAL  46           HB       VAL  46  17.635  -6.670  26.971
  374   HG11  VAL  46          1HG1      VAL  46  18.315  -3.913  25.895
  375   HG12  VAL  46          2HG1      VAL  46  16.976  -4.372  26.970
  376   HG13  VAL  46          3HG1      VAL  46  18.650  -4.476  27.554
  377   HG21  VAL  46          3HG2      VAL  46  16.163  -5.940  25.186
  378   HG22  VAL  46          1HG2      VAL  46  17.529  -5.355  24.221
  379   HG23  VAL  46          2HG2      VAL  46  17.320  -7.095  24.474
  380    HA   PRO  47           HA       PRO  47  20.361  -4.178  22.642
  381    HB2  PRO  47           2HB      PRO  47  22.371  -2.401  23.052
  382    HB3  PRO  47           3HB      PRO  47  20.721  -2.138  23.712
  383    HG2  PRO  47           2HG      PRO  47  23.125  -3.322  25.145
  384    HG3  PRO  47           3HG      PRO  47  22.066  -1.993  25.699
  385    HD2  PRO  47           2HD      PRO  47  21.701  -4.564  26.485
  386    HD3  PRO  47           3HD      PRO  47  20.298  -3.494  26.192
  387    H    ASP  48           H        ASP  48  22.902  -5.687  24.581
  388    HA   ASP  48           HA       ASP  48  24.729  -5.877  22.309
  389    HB2  ASP  48           2HB      ASP  48  25.462  -5.562  24.683
  390    HB3  ASP  48           3HB      ASP  48  24.868  -7.195  25.042
  391    H    VAL  49           H        VAL  49  22.238  -7.846  23.868
  392    HA   VAL  49           HA       VAL  49  23.092 -10.301  22.538
  393    HB   VAL  49           HB       VAL  49  20.640  -9.556  24.178
  394   HG11  VAL  49          1HG1      VAL  49  20.190 -11.986  24.255
  395   HG12  VAL  49          2HG1      VAL  49  20.054 -11.364  22.596
  396   HG13  VAL  49          3HG1      VAL  49  21.505 -12.268  23.090
  397   HG21  VAL  49          3HG2      VAL  49  23.066 -11.322  24.736
  398   HG22  VAL  49          1HG2      VAL  49  22.824  -9.691  25.391
  399   HG23  VAL  49          2HG2      VAL  49  21.724 -11.006  25.863
  400    H    VAL  50           H        VAL  50  20.788  -7.652  21.906
  401    HA   VAL  50           HA       VAL  50  19.506  -8.962  19.654
  402    HB   VAL  50           HB       VAL  50  19.855  -6.058  20.471
  403   HG11  VAL  50          1HG1      VAL  50  18.248  -7.225  18.155
  404   HG12  VAL  50          2HG1      VAL  50  18.141  -5.553  18.752
  405   HG13  VAL  50          3HG1      VAL  50  19.648  -6.130  18.020
  406   HG21  VAL  50          3HG2      VAL  50  17.433  -7.900  20.365
  407   HG22  VAL  50          1HG2      VAL  50  18.349  -7.530  21.845
  408   HG23  VAL  50          2HG2      VAL  50  17.469  -6.241  20.993
  409    H    GLN  51           H        GLN  51  22.476  -6.987  20.116
  410    HA   GLN  51           HA       GLN  51  23.027  -6.803  17.298
  411    HB2  GLN  51           2HB      GLN  51  23.970  -5.256  18.973
  412    HB3  GLN  51           3HB      GLN  51  24.900  -6.599  19.685
  413    HG2  GLN  51           2HG      GLN  51  26.103  -6.912  17.567
  414    HG3  GLN  51           3HG      GLN  51  25.137  -5.642  16.804
  415   HE21  GLN  51          2HE2      GLN  51  27.686  -5.164  16.520
  416   HE22  GLN  51          1HE2      GLN  51  28.305  -3.999  17.675
  417    H    GLU  52           H        GLU  52  24.101  -9.092  19.908
  418    HA   GLU  52           HA       GLU  52  25.797 -10.567  18.120
  419    HB2  GLU  52           2HB      GLU  52  25.965 -10.618  20.604
  420    HB3  GLU  52           3HB      GLU  52  24.432 -11.521  20.664
  421    HG2  GLU  52           2HG      GLU  52  25.427 -13.332  19.322
  422    HG3  GLU  52           3HG      GLU  52  26.935 -12.422  19.168
  423    H    ALA  53           H        ALA  53  22.310 -10.667  18.848
  424    HA   ALA  53           HA       ALA  53  21.840 -13.205  17.599
  425    HB1  ALA  53           1HB      ALA  53  19.999 -10.816  18.020
  426    HB2  ALA  53           2HB      ALA  53  19.485 -12.458  17.578
  427    HB3  ALA  53           3HB      ALA  53  20.255 -12.160  19.156
  428    H    PHE  54           H        PHE  54  22.007  -9.832  16.367
  429    HA   PHE  54           HA       PHE  54  21.184 -10.607  13.695
  430    HB2  PHE  54           2HB      PHE  54  22.580  -8.140  14.789
  431    HB3  PHE  54           3HB      PHE  54  22.011  -8.313  13.132
  432    HD1  PHE  54           HD2      PHE  54  19.363  -9.836  13.886
  433    HD2  PHE  54           HD1      PHE  54  21.214  -6.226  15.352
  434    HE1  PHE  54           HE2      PHE  54  17.163  -8.962  14.542
  435    HE2  PHE  54           HE1      PHE  54  18.979  -5.335  15.941
  436    HZ   PHE  54           HZ       PHE  54  16.957  -6.712  15.556
  437    H    ILE  55           H        ILE  55  24.349 -10.285  15.357
  438    HA   ILE  55           HA       ILE  55  25.859 -10.579  12.906
  439    HB   ILE  55           HB       ILE  55  26.577 -11.079  15.822
  440   HG12  ILE  55          2HG1      ILE  55  27.248  -8.727  13.983
  441   HG13  ILE  55          3HG1      ILE  55  25.946  -8.713  15.161
  442   HG21  ILE  55          1HG2      ILE  55  28.931 -11.012  15.065
  443   HG22  ILE  55          2HG2      ILE  55  28.068 -12.348  14.307
  444   HG23  ILE  55          3HG2      ILE  55  28.387 -10.868  13.377
  445   HD11  ILE  55          3HD1      ILE  55  28.918  -9.021  15.773
  446   HD12  ILE  55          1HD1      ILE  55  27.892  -7.618  16.116
  447   HD13  ILE  55          2HD1      ILE  55  27.613  -9.144  16.984
  448    H    LYS  56           H        LYS  56  24.498 -12.788  15.339
  449    HA   LYS  56           HA       LYS  56  25.727 -15.168  14.225
  450    HB2  LYS  56           2HB      LYS  56  25.098 -14.824  16.608
  451    HB3  LYS  56           3HB      LYS  56  23.390 -14.754  16.137
  452    HG2  LYS  56           2HG      LYS  56  23.575 -17.079  15.243
  453    HG3  LYS  56           3HG      LYS  56  25.260 -17.138  15.817
  454    HD2  LYS  56           2HD      LYS  56  22.769 -16.701  17.520
  455    HD3  LYS  56           3HD      LYS  56  23.718 -18.195  17.444
  456    HE2  LYS  56           2HE      LYS  56  24.711 -15.490  18.451
  457    HE3  LYS  56           3HE      LYS  56  24.225 -16.848  19.465
  458    HZ1  LYS  56           3HZ      LYS  56  25.999 -18.142  18.490
  459    HZ2  LYS  56           1HZ      LYS  56  26.472 -16.877  17.553
  460    HZ3  LYS  56           2HZ      LYS  56  26.592 -16.780  19.189
  461    H    ALA  57           H        ALA  57  22.641 -13.409  13.828
  462    HA   ALA  57           HA       ALA  57  21.299 -15.517  12.429
  463    HB1  ALA  57           1HB      ALA  57  20.896 -12.493  12.385
  464    HB2  ALA  57           2HB      ALA  57  19.783 -13.690  11.684
  465    HB3  ALA  57           3HB      ALA  57  20.063 -13.667  13.435
  466    H    TYR  58           H        TYR  58  23.375 -12.759  11.327
  467    HA   TYR  58           HA       TYR  58  22.809 -13.116   8.568
  468    HB2  TYR  58           2HB      TYR  58  23.864 -11.130   9.631
  469    HB3  TYR  58           3HB      TYR  58  25.326 -12.070   9.918
  470    HD1  TYR  58           HD2      TYR  58  23.029 -10.961   7.162
  471    HD2  TYR  58           HD1      TYR  58  27.005 -12.167   8.278
  472    HE1  TYR  58           HE2      TYR  58  23.857 -10.284   4.924
  473    HE2  TYR  58           HE1      TYR  58  27.835 -11.536   6.038
  474    HH   TYR  58           HH       TYR  58  27.296 -10.659   3.981
  475    H    ARG  59           H        ARG  59  25.247 -14.600  10.714
  476    HA   ARG  59           HA       ARG  59  26.675 -15.973   8.622
  477    HB2  ARG  59           2HB      ARG  59  26.490 -16.462  11.616
  478    HB3  ARG  59           3HB      ARG  59  27.631 -17.260  10.514
  479    HG2  ARG  59           2HG      ARG  59  28.675 -15.123   9.963
  480    HG3  ARG  59           3HG      ARG  59  27.418 -14.237  10.859
  481    HD2  ARG  59           2HD      ARG  59  29.309 -14.347  12.288
  482    HD3  ARG  59           3HD      ARG  59  28.104 -15.478  12.931
  483    HE   ARG  59           HE       ARG  59  29.805 -16.916  11.174
  484   HH11  ARG  59          1HH1      ARG  59  29.949 -15.278  14.301
  485   HH12  ARG  59          2HH1      ARG  59  31.226 -16.307  14.913
  486   HH21  ARG  59          1HH2      ARG  59  31.471 -18.247  11.997
  487   HH22  ARG  59          2HH2      ARG  59  32.085 -17.976  13.609
  488    H    ALA  60           H        ALA  60  23.670 -16.578  10.280
  489    HA   ALA  60           HA       ALA  60  23.622 -19.385   9.301
  490    HB1  ALA  60           1HB      ALA  60  21.800 -17.896  11.229
  491    HB2  ALA  60           2HB      ALA  60  21.712 -19.628  10.828
  492    HB3  ALA  60           3HB      ALA  60  23.125 -18.987  11.691
  493    H    LEU  61           H        LEU  61  22.645 -16.244   8.372
  494    HA   LEU  61           HA       LEU  61  20.072 -16.892   7.260
  495    HB2  LEU  61           2HB      LEU  61  20.923 -14.613   8.035
  496    HB3  LEU  61           3HB      LEU  61  21.945 -14.588   6.585
  497    HG   LEU  61           HG       LEU  61  19.851 -14.829   5.196
  498   HD11  LEU  61          1HD1      LEU  61  18.353 -15.850   6.855
  499   HD12  LEU  61          2HD1      LEU  61  18.559 -14.444   7.923
  500   HD13  LEU  61          3HD1      LEU  61  17.701 -14.273   6.366
  501   HD21  LEU  61          3HD2      LEU  61  19.953 -12.496   7.160
  502   HD22  LEU  61          1HD2      LEU  61  20.892 -12.640   5.657
  503   HD23  LEU  61          2HD2      LEU  61  19.114 -12.501   5.589
  504    H    ASP  62           H        ASP  62  23.414 -17.094   6.210
  505    HA   ASP  62           HA       ASP  62  22.933 -17.385   3.397
  506    HB2  ASP  62           2HB      ASP  62  25.115 -16.891   4.452
  507    HB3  ASP  62           3HB      ASP  62  25.127 -18.511   5.176
  508    H    SER  63           H        SER  63  22.009 -19.328   6.041
  509    HA   SER  63           HA       SER  63  21.810 -21.759   4.339
  510    HB2  SER  63           2HB      SER  63  21.801 -21.478   7.368
  511    HB3  SER  63           3HB      SER  63  21.697 -22.993   6.448
  512    HG   SER  63           HG       SER  63  23.835 -22.513   7.134
  513    H    PHE  64           H        PHE  64  19.985 -19.134   5.255
  514    HA   PHE  64           HA       PHE  64  17.517 -20.488   5.952
  515    HB2  PHE  64           2HB      PHE  64  18.007 -18.179   6.626
  516    HB3  PHE  64           3HB      PHE  64  18.064 -17.686   4.930
  517    HD1  PHE  64           HD1      PHE  64  15.808 -19.220   7.500
  518    HD2  PHE  64           HD2      PHE  64  16.092 -16.999   3.828
  519    HE1  PHE  64           HE1      PHE  64  13.362 -18.825   7.551
  520    HE2  PHE  64           HE2      PHE  64  13.645 -16.580   3.894
  521    HZ   PHE  64           HZ       PHE  64  12.279 -17.494   5.748
  522    H    ARG  65           H        ARG  65  15.689 -20.812   4.627
  523    HA   ARG  65           HA       ARG  65  16.087 -20.575   1.716
  524    HB2  ARG  65           2HB      ARG  65  15.686 -22.968   1.338
  525    HB3  ARG  65           3HB      ARG  65  17.167 -22.680   2.262
  526    HG2  ARG  65           2HG      ARG  65  15.889 -23.160   4.381
  527    HG3  ARG  65           3HG      ARG  65  14.486 -23.600   3.384
  528    HD2  ARG  65           2HD      ARG  65  17.242 -24.881   3.238
  529    HD3  ARG  65           3HD      ARG  65  15.842 -25.563   4.089
  530    HE   ARG  65           HE       ARG  65  15.011 -25.077   1.448
  531   HH11  ARG  65          1HH1      ARG  65  17.361 -27.117   3.132
  532   HH12  ARG  65          2HH1      ARG  65  17.321 -28.371   1.916
  533   HH21  ARG  65          1HH2      ARG  65  14.970 -26.726  -0.113
  534   HH22  ARG  65          2HH2      ARG  65  15.959 -28.156   0.092
  535    H    GLY  66           H        GLY  66  14.123 -19.772   4.081
  536    HA2  GLY  66           2HA      GLY  66  11.944 -19.060   3.994
  537    HA3  GLY  66           3HA      GLY  66  11.839 -19.645   2.325
  538    H    ASP  67           H        ASP  67  12.867 -22.026   4.662
  539    HA   ASP  67           HA       ASP  67  10.533 -23.636   4.233
  540    HB2  ASP  67           2HB      ASP  67  12.796 -24.519   4.713
  541    HB3  ASP  67           3HB      ASP  67  12.725 -23.824   6.340
  542    H    SER  68           H        SER  68  11.148 -20.982   6.294
  543    HA   SER  68           HA       SER  68   8.515 -21.250   7.566
  544    HB2  SER  68           2HB      SER  68   9.427 -20.843   9.821
  545    HB3  SER  68           3HB      SER  68   9.996 -22.389   9.172
  546    HG   SER  68           HG       SER  68  11.686 -21.152  10.105
  547    H    ALA  69           H        ALA  69   8.051 -19.114   8.810
  548    HA   ALA  69           HA       ALA  69   8.651 -16.933   7.058
  549    HB1  ALA  69           1HB      ALA  69   7.499 -16.928   9.877
  550    HB2  ALA  69           2HB      ALA  69   7.440 -15.581   8.713
  551    HB3  ALA  69           3HB      ALA  69   6.573 -17.092   8.360
  552    H    PHE  70           H        PHE  70  10.009 -15.114   7.356
  553    HA   PHE  70           HA       PHE  70  12.528 -15.776   8.519
  554    HB2  PHE  70           2HB      PHE  70  12.357 -14.260   6.615
  555    HB3  PHE  70           3HB      PHE  70  11.369 -13.136   7.558
  556    HD1  PHE  70           HD2      PHE  70  14.719 -14.838   7.748
  557    HD2  PHE  70           HD1      PHE  70  12.409 -11.298   8.537
  558    HE1  PHE  70           HE2      PHE  70  16.754 -13.691   8.587
  559    HE2  PHE  70           HE1      PHE  70  14.448 -10.149   9.350
  560    HZ   PHE  70           HZ       PHE  70  16.627 -11.344   9.368
  561    H    TYR  71           H        TYR  71   9.743 -13.901   9.794
  562    HA   TYR  71           HA       TYR  71  11.322 -12.710  11.875
  563    HB2  TYR  71           2HB      TYR  71   9.218 -12.018  12.836
  564    HB3  TYR  71           3HB      TYR  71   9.210 -11.746  11.093
  565    HD1  TYR  71           HD1      TYR  71   7.923 -13.909  13.823
  566    HD2  TYR  71           HD2      TYR  71   7.581 -12.796   9.685
  567    HE1  TYR  71           HE1      TYR  71   5.780 -15.146  13.675
  568    HE2  TYR  71           HE2      TYR  71   5.433 -14.022   9.522
  569    HH   TYR  71           HH       TYR  71   4.024 -15.757  12.334
  570    H    THR  72           H        THR  72   9.385 -15.741  11.648
  571    HA   THR  72           HA       THR  72   9.681 -16.383  14.444
  572    HB   THR  72           HB       THR  72   9.213 -18.217  12.055
  573    HG1  THR  72           1HG      THR  72   7.038 -17.961  12.674
  574   HG21  THR  72          1HG2      THR  72   8.202 -19.706  13.769
  575   HG22  THR  72          2HG2      THR  72   9.918 -19.417  14.101
  576   HG23  THR  72          3HG2      THR  72   8.685 -18.555  15.044
  577    H    TRP  73           H        TRP  73  11.546 -17.033  11.469
  578    HA   TRP  73           HA       TRP  73  13.360 -18.903  12.672
  579    HB2  TRP  73           2HB      TRP  73  12.975 -18.789  10.268
  580    HB3  TRP  73           3HB      TRP  73  13.520 -17.112  10.224
  581    HD1  TRP  73           HD1      TRP  73  14.808 -20.657  10.249
  582    HE1  TRP  73           HE1      TRP  73  17.332 -20.689   9.864
  583    HE3  TRP  73           HE3      TRP  73  15.739 -15.633  10.593
  584    HZ2  TRP  73           HZ2      TRP  73  19.503 -18.793   9.838
  585    HZ3  TRP  73           HZ3      TRP  73  18.047 -14.785  10.392
  586    HH2  TRP  73           HH2      TRP  73  19.938 -16.354  10.032
  587    H    LEU  74           H        LEU  74  13.295 -15.341  12.416
  588    HA   LEU  74           HA       LEU  74  16.064 -15.057  13.245
  589    HB2  LEU  74           2HB      LEU  74  14.949 -13.428  11.768
  590    HB3  LEU  74           3HB      LEU  74  13.763 -13.076  13.033
  591    HG   LEU  74           HG       LEU  74  15.592 -12.258  14.516
  592   HD11  LEU  74          1HD1      LEU  74  17.817 -11.798  13.497
  593   HD12  LEU  74          2HD1      LEU  74  17.491 -13.535  13.596
  594   HD13  LEU  74          3HD1      LEU  74  17.317 -12.687  12.038
  595   HD21  LEU  74          3HD2      LEU  74  14.318 -10.716  13.083
  596   HD22  LEU  74          1HD2      LEU  74  15.995 -10.172  13.309
  597   HD23  LEU  74          2HD2      LEU  74  15.509 -10.937  11.779
  598    H    TYR  75           H        TYR  75  12.856 -14.947  14.830
  599    HA   TYR  75           HA       TYR  75  13.893 -13.894  17.303
  600    HB2  TYR  75           2HB      TYR  75  11.324 -15.370  16.641
  601    HB3  TYR  75           3HB      TYR  75  11.676 -14.626  18.200
  602    HD1  TYR  75           HD2      TYR  75  13.197 -12.161  16.816
  603    HD2  TYR  75           HD1      TYR  75   9.329 -13.997  16.317
  604    HE1  TYR  75           HE2      TYR  75  12.296 -10.019  16.066
  605    HE2  TYR  75           HE1      TYR  75   8.421 -11.841  15.495
  606    HH   TYR  75           HH       TYR  75   8.865  -9.653  15.020
  607    H    ARG  76           H        ARG  76  13.918 -17.101  15.920
  608    HA   ARG  76           HA       ARG  76  14.387 -18.454  18.456
  609    HB2  ARG  76           2HB      ARG  76  14.939 -19.183  15.550
  610    HB3  ARG  76           3HB      ARG  76  15.254 -20.275  16.914
  611    HG2  ARG  76           2HG      ARG  76  12.917 -20.226  17.581
  612    HG3  ARG  76           3HG      ARG  76  12.549 -19.040  16.311
  613    HD2  ARG  76           2HD      ARG  76  13.239 -20.684  14.587
  614    HD3  ARG  76           3HD      ARG  76  13.607 -21.868  15.859
  615    HE   ARG  76           HE       ARG  76  10.949 -21.065  16.268
  616   HH11  ARG  76          1HH1      ARG  76  12.814 -22.681  13.735
  617   HH12  ARG  76          2HH1      ARG  76  11.445 -23.601  13.154
  618   HH21  ARG  76          1HH2      ARG  76   9.187 -22.293  15.500
  619   HH22  ARG  76          2HH2      ARG  76   9.399 -23.375  14.148
  620    H    ILE  77           H        ILE  77  16.340 -16.613  16.162
  621    HA   ILE  77           HA       ILE  77  18.873 -17.601  17.172
  622    HB   ILE  77           HB       ILE  77  18.387 -14.922  15.823
  623   HG12  ILE  77          2HG1      ILE  77  17.333 -16.537  14.361
  624   HG13  ILE  77          3HG1      ILE  77  18.860 -15.996  13.668
  625   HG21  ILE  77          1HG2      ILE  77  20.783 -16.800  15.966
  626   HG22  ILE  77          2HG2      ILE  77  20.704 -15.299  15.020
  627   HG23  ILE  77          3HG2      ILE  77  20.605 -15.238  16.787
  628   HD11  ILE  77          3HD1      ILE  77  19.954 -18.092  14.426
  629   HD12  ILE  77          1HD1      ILE  77  18.395 -18.641  15.108
  630   HD13  ILE  77          2HD1      ILE  77  18.577 -18.395  13.355
  631    H    ALA  78           H        ALA  78  16.634 -14.949  17.998
  632    HA   ALA  78           HA       ALA  78  18.561 -13.521  19.587
  633    HB1  ALA  78           1HB      ALA  78  15.534 -13.334  19.463
  634    HB2  ALA  78           2HB      ALA  78  16.622 -12.139  20.204
  635    HB3  ALA  78           3HB      ALA  78  16.693 -12.439  18.454
  636    H    VAL  79           H        VAL  79  16.018 -15.950  20.349
  637    HA   VAL  79           HA       VAL  79  16.389 -15.514  23.214
  638    HB   VAL  79           HB       VAL  79  14.195 -16.058  22.316
  639   HG11  VAL  79          1HG1      VAL  79  15.368 -18.795  21.666
  640   HG12  VAL  79          2HG1      VAL  79  13.667 -18.305  21.493
  641   HG13  VAL  79          3HG1      VAL  79  14.910 -17.566  20.457
  642   HG21  VAL  79          3HG2      VAL  79  15.275 -18.328  24.036
  643   HG22  VAL  79          1HG2      VAL  79  14.826 -16.722  24.645
  644   HG23  VAL  79          2HG2      VAL  79  13.592 -17.783  23.927
  645    H    ASN  80           H        ASN  80  17.663 -17.721  20.740
  646    HA   ASN  80           HA       ASN  80  18.808 -19.539  22.703
  647    HB2  ASN  80           2HB      ASN  80  19.263 -19.128  19.722
  648    HB3  ASN  80           3HB      ASN  80  20.083 -20.362  20.681
  649   HD21  ASN  80          2HD2      ASN  80  18.708 -21.351  18.642
  650   HD22  ASN  80          1HD2      ASN  80  17.215 -22.100  19.176
  651    H    THR  81           H        THR  81  19.765 -16.495  21.199
  652    HA   THR  81           HA       THR  81  22.572 -16.779  21.958
  653    HB   THR  81           HB       THR  81  20.953 -14.358  21.060
  654    HG1  THR  81           1HG      THR  81  21.093 -15.842  19.438
  655   HG21  THR  81          1HG2      THR  81  23.190 -13.408  20.512
  656   HG22  THR  81          2HG2      THR  81  23.007 -13.674  22.262
  657   HG23  THR  81          3HG2      THR  81  23.961 -14.815  21.287
  658    H    ALA  82           H        ALA  82  19.589 -15.524  23.420
  659    HA   ALA  82           HA       ALA  82  20.946 -13.966  25.442
  660    HB1  ALA  82           1HB      ALA  82  18.110 -15.081  25.330
  661    HB2  ALA  82           2HB      ALA  82  18.687 -13.788  26.410
  662    HB3  ALA  82           3HB      ALA  82  18.641 -13.524  24.653
  663    H    LYS  83           H        LYS  83  19.750 -17.336  25.238
  664    HA   LYS  83           HA       LYS  83  20.267 -17.846  28.055
  665    HB2  LYS  83           2HB      LYS  83  19.736 -19.652  25.660
  666    HB3  LYS  83           3HB      LYS  83  19.928 -20.242  27.322
  667    HG2  LYS  83           2HG      LYS  83  18.054 -18.884  28.077
  668    HG3  LYS  83           3HG      LYS  83  17.854 -18.176  26.464
  669    HD2  LYS  83           2HD      LYS  83  17.354 -20.386  25.521
  670    HD3  LYS  83           3HD      LYS  83  17.589 -21.143  27.113
  671    HE2  LYS  83           2HE      LYS  83  15.518 -18.992  26.502
  672    HE3  LYS  83           3HE      LYS  83  15.180 -20.728  26.512
  673    HZ1  LYS  83           3HZ      LYS  83  16.158 -19.183  28.818
  674    HZ2  LYS  83           1HZ      LYS  83  14.622 -19.729  28.608
  675    HZ3  LYS  83           2HZ      LYS  83  15.851 -20.798  28.810
  676    H    ASN  84           H        ASN  84  22.082 -18.088  25.015
  677    HA   ASN  84           HA       ASN  84  24.313 -19.509  26.194
  678    HB2  ASN  84           2HB      ASN  84  23.773 -19.550  23.786
  679    HB3  ASN  84           3HB      ASN  84  24.084 -17.814  23.676
  680   HD21  ASN  84          2HD2      ASN  84  26.175 -17.108  23.344
  681   HD22  ASN  84          1HD2      ASN  84  27.574 -18.163  23.356
  682    H    TYR  85           H        TYR  85  23.249 -16.154  26.058
  683    HA   TYR  85           HA       TYR  85  25.847 -14.993  26.606
  684    HB2  TYR  85           2HB      TYR  85  23.970 -13.842  25.439
  685    HB3  TYR  85           3HB      TYR  85  23.038 -13.886  26.939
  686    HD1  TYR  85           HD2      TYR  85  25.958 -12.410  25.221
  687    HD2  TYR  85           HD1      TYR  85  23.514 -12.370  28.758
  688    HE1  TYR  85           HE2      TYR  85  26.988 -10.253  25.900
  689    HE2  TYR  85           HE1      TYR  85  24.534 -10.212  29.444
  690    HH   TYR  85           HH       TYR  85  25.991  -8.544  28.885
  691    H    LEU  86           H        LEU  86  23.027 -16.044  28.566
  692    HA   LEU  86           HA       LEU  86  24.059 -14.831  30.982
  693    HB2  LEU  86           2HB      LEU  86  21.942 -16.952  30.454
  694    HB3  LEU  86           3HB      LEU  86  22.356 -16.362  32.072
  695    HG   LEU  86           HG       LEU  86  21.236 -14.654  29.821
  696   HD11  LEU  86          1HD1      LEU  86  19.316 -14.513  31.429
  697   HD12  LEU  86          2HD1      LEU  86  19.607 -16.168  30.850
  698   HD13  LEU  86          3HD1      LEU  86  20.139 -15.687  32.476
  699   HD21  LEU  86          3HD2      LEU  86  22.043 -13.968  32.684
  700   HD22  LEU  86          1HD2      LEU  86  22.757 -13.303  31.197
  701   HD23  LEU  86          2HD2      LEU  86  21.077 -12.919  31.626
  702    H    VAL  87           H        VAL  87  24.710 -17.918  29.366
  703    HA   VAL  87           HA       VAL  87  25.991 -18.919  31.834
  704    HB   VAL  87           HB       VAL  87  26.536 -20.904  30.515
  705   HG11  VAL  87          1HG1      VAL  87  23.629 -20.034  30.256
  706   HG12  VAL  87          2HG1      VAL  87  24.226 -21.704  30.241
  707   HG13  VAL  87          3HG1      VAL  87  24.374 -20.722  31.717
  708   HG21  VAL  87          3HG2      VAL  87  26.796 -19.874  28.299
  709   HG22  VAL  87          1HG2      VAL  87  25.605 -21.189  28.256
  710   HG23  VAL  87          2HG2      VAL  87  25.056 -19.495  28.261
  711    H    ALA  88           H        ALA  88  26.880 -17.136  28.945
  712    HA   ALA  88           HA       ALA  88  29.681 -17.850  29.060
  713    HB1  ALA  88           1HB      ALA  88  28.246 -15.468  27.805
  714    HB2  ALA  88           2HB      ALA  88  29.926 -15.948  27.476
  715    HB3  ALA  88           3HB      ALA  88  28.585 -17.016  26.997
  716    H    GLN  89           H        GLN  89  27.660 -15.588  30.789
  717    HA   GLN  89           HA       GLN  89  30.094 -14.434  32.078
  718    HB2  GLN  89           2HB      GLN  89  27.283 -13.373  31.649
  719    HB3  GLN  89           3HB      GLN  89  28.337 -12.740  32.920
  720    HG2  GLN  89           2HG      GLN  89  28.575 -11.315  31.011
  721    HG3  GLN  89           3HG      GLN  89  30.082 -12.216  31.222
  722   HE21  GLN  89          2HE2      GLN  89  26.988 -12.184  29.373
  723   HE22  GLN  89          1HE2      GLN  89  27.655 -12.921  27.936
  724    H    GLY  90           H        GLY  90  27.511 -16.649  32.461
  725    HA2  GLY  90           2HA      GLY  90  27.435 -16.411  35.401
  726    HA3  GLY  90           3HA      GLY  90  26.413 -17.436  34.377
  727    H    ARG  91           H        ARG  91  29.448 -17.952  33.170
  728    HA   ARG  91           HA       ARG  91  29.992 -20.155  35.114
  729    HB2  ARG  91           2HB      ARG  91  30.406 -20.105  32.106
  730    HB3  ARG  91           3HB      ARG  91  30.947 -21.400  33.175
  731    HG2  ARG  91           2HG      ARG  91  28.041 -20.511  32.876
  732    HG3  ARG  91           3HG      ARG  91  28.773 -21.904  32.057
  733    HD2  ARG  91           2HD      ARG  91  29.273 -22.939  34.233
  734    HD3  ARG  91           3HD      ARG  91  28.581 -21.547  35.081
  735    HE   ARG  91           HE       ARG  91  27.116 -23.641  33.598
  736   HH11  ARG  91          1HH1      ARG  91  26.978 -20.579  35.379
  737   HH12  ARG  91          2HH1      ARG  91  25.254 -20.692  35.643
  738   HH21  ARG  91          1HH2      ARG  91  24.883 -23.747  33.956
  739   HH22  ARG  91          2HH2      ARG  91  24.076 -22.485  34.856
  740    H    ARG  92           H        ARG  92  31.152 -17.189  34.271
  741    HA   ARG  92           HA       ARG  92  33.966 -17.803  34.034
  742    HB2  ARG  92           2HB      ARG  92  32.570 -15.249  34.931
  743    HB3  ARG  92           3HB      ARG  92  34.289 -15.399  34.521
  744    HG2  ARG  92           2HG      ARG  92  33.664 -16.116  32.217
  745    HG3  ARG  92           3HG      ARG  92  31.948 -15.906  32.640
  746    HD2  ARG  92           2HD      ARG  92  32.435 -13.510  33.199
  747    HD3  ARG  92           3HD      ARG  92  34.097 -13.753  32.634
  748    HE   ARG  92           HE       ARG  92  31.903 -14.401  30.748
  749   HH11  ARG  92          1HH1      ARG  92  34.428 -12.122  31.735
  750   HH12  ARG  92          2HH1      ARG  92  34.437 -11.298  30.197
  751   HH21  ARG  92          1HH2      ARG  92  31.857 -13.229  28.807
  752   HH22  ARG  92          2HH2      ARG  92  32.995 -11.923  28.539
  753    H    LEU  93           H        LEU  93  35.410 -18.280  35.563
  754    HA   LEU  93           HA       LEU  93  36.204 -19.019  37.548
  755    HB2  LEU  93           2HB      LEU  93  34.911 -16.412  38.413
  756    HB3  LEU  93           3HB      LEU  93  35.904 -17.398  39.488
  757    HG   LEU  93           HG       LEU  93  37.188 -15.566  38.583
  758   HD11  LEU  93          1HD1      LEU  93  39.128 -16.820  37.807
  759   HD12  LEU  93          2HD1      LEU  93  38.312 -17.695  39.120
  760   HD13  LEU  93          3HD1      LEU  93  38.111 -18.225  37.428
  761   HD21  LEU  93          3HD2      LEU  93  36.885 -16.808  35.825
  762   HD22  LEU  93          1HD2      LEU  93  36.012 -15.351  36.379
  763   HD23  LEU  93          2HD2      LEU  93  37.784 -15.346  36.269
  764    H    GLU  94           H        GLU  94  33.438 -19.920  36.769
  765    HA   GLU  94           HA       GLU  94  32.659 -20.912  39.454
  766    HB2  GLU  94           2HB      GLU  94  31.257 -18.949  38.659
  767    HB3  GLU  94           3HB      GLU  94  30.694 -19.974  37.334
  768    HG2  GLU  94           2HG      GLU  94  29.086 -19.938  39.183
  769    HG3  GLU  94           3HG      GLU  94  29.732 -21.565  38.986
  770    H    LEU  95           H        LEU  95  33.806 -21.706  36.483
  771    HA   LEU  95           HA       LEU  95  32.531 -24.395  36.594
  772    HB2  LEU  95           2HB      LEU  95  31.636 -23.015  34.735
  773    HB3  LEU  95           3HB      LEU  95  33.280 -22.779  34.125
  774    HG   LEU  95           HG       LEU  95  33.484 -25.203  33.694
  775   HD11  LEU  95          1HD1      LEU  95  31.459 -26.646  33.874
  776   HD12  LEU  95          2HD1      LEU  95  31.999 -26.089  35.467
  777   HD13  LEU  95          3HD1      LEU  95  30.599 -25.320  34.691
  778   HD21  LEU  95          3HD2      LEU  95  30.925 -23.988  32.585
  779   HD22  LEU  95          1HD2      LEU  95  32.562 -23.700  31.960
  780   HD23  LEU  95          2HD2      LEU  95  31.846 -25.326  31.864
  781    H    VAL  96           H        VAL  96  35.406 -22.472  36.545
  782    HA   VAL  96           HA       VAL  96  37.033 -24.886  36.769
  783    HB   VAL  96           HB       VAL  96  36.951 -24.488  34.342
  784   HG11  VAL  96          1HG1      VAL  96  38.232 -21.792  34.913
  785   HG12  VAL  96          2HG1      VAL  96  37.908 -22.498  33.321
  786   HG13  VAL  96          3HG1      VAL  96  36.551 -22.044  34.373
  787   HG21  VAL  96          3HG2      VAL  96  39.655 -23.786  35.552
  788   HG22  VAL  96          1HG2      VAL  96  39.011 -25.425  35.282
  789   HG23  VAL  96          2HG2      VAL  96  39.364 -24.377  33.899
  790    HA   PRO  97           HA       PRO  97  38.673 -22.062  39.752
  791    HB2  PRO  97           2HB      PRO  97  40.787 -23.482  40.707
  792    HB3  PRO  97           3HB      PRO  97  39.090 -24.014  40.950
  793    HG2  PRO  97           2HG      PRO  97  41.023 -24.901  38.779
  794    HG3  PRO  97           3HG      PRO  97  40.061 -25.940  39.880
  795    HD2  PRO  97           2HD      PRO  97  39.202 -25.341  37.374
  796    HD3  PRO  97           3HD      PRO  97  38.052 -25.437  38.741
  797    H    ARG  98           H        ARG  98  40.059 -22.540  36.758
  798    HA   ARG  98           HA       ARG  98  42.263 -20.616  37.328
  799    HB2  ARG  98           2HB      ARG  98  42.227 -22.887  35.312
  800    HB3  ARG  98           3HB      ARG  98  43.504 -21.663  35.468
  801    HG2  ARG  98           2HG      ARG  98  43.898 -22.383  37.815
  802    HG3  ARG  98           3HG      ARG  98  42.653 -23.635  37.631
  803    HD2  ARG  98           2HD      ARG  98  44.865 -24.620  37.313
  804    HD3  ARG  98           3HD      ARG  98  43.959 -24.661  35.791
  805    HE   ARG  98           HE       ARG  98  45.465 -23.164  34.843
  806   HH11  ARG  98          1HH1      ARG  98  46.023 -23.356  38.331
  807   HH12  ARG  98          2HH1      ARG  98  47.523 -22.458  38.257
  808   HH21  ARG  98          1HH2      ARG  98  47.421 -21.994  34.777
  809   HH22  ARG  98          2HH2      ARG  98  48.307 -21.697  36.254
  810    H    GLY  99           H        GLY  99  39.346 -20.309  36.491
  811    HA2  GLY  99           2HA      GLY  99  39.271 -19.517  33.743
  812    HA3  GLY  99           3HA      GLY  99  38.100 -19.096  34.993
  813    H    SER 100           H        SER 100  38.502 -17.214  33.194
  814    HA   SER 100           HA       SER 100  39.863 -15.056  34.651
  815    HB2  SER 100           2HB      SER 100  41.126 -14.373  32.613
  816    HB3  SER 100           3HB      SER 100  41.665 -15.935  33.259
  817    HG   SER 100           HG       SER 100  41.299 -15.887  30.949
  818    H    HIS 101           H        HIS 101  39.511 -12.933  33.314
  819    HA   HIS 101           HA       HIS 101  36.659 -12.922  32.552
  820    HB2  HIS 101           2HB      HIS 101  37.551 -11.436  34.354
  821    HB3  HIS 101           3HB      HIS 101  38.529 -10.606  33.133
  822    HD2  HIS 101           HD2      HIS 101  37.396  -8.546  32.033
  823    HE1  HIS 101           HE1      HIS 101  33.329  -9.392  32.941
  824    HE2  HIS 101           HE2      HIS 101  34.925  -7.696  31.907
  825    H    HIS 102           H        HIS 102  39.584 -13.212  30.972
  826    HA   HIS 102           HA       HIS 102  38.389 -12.373  28.420
  827    HB2  HIS 102           2HB      HIS 102  39.525 -10.337  29.232
  828    HB3  HIS 102           3HB      HIS 102  41.017 -11.251  29.468
  829    HD2  HIS 102           HD2      HIS 102  42.680 -10.609  27.615
  830    HE1  HIS 102           HE1      HIS 102  40.049 -10.435  24.273
  831    HE2  HIS 102           HE2      HIS 102  42.473 -10.217  25.029
  832    H    HIS 103           H        HIS 103  39.468 -13.325  26.601
  833    HA   HIS 103           HA       HIS 103  40.249 -15.168  25.560
  834    HB2  HIS 103           2HB      HIS 103  42.327 -13.879  26.063
  835    HB3  HIS 103           3HB      HIS 103  42.590 -14.912  27.470
  836    HD2  HIS 103           HD2      HIS 103  44.443 -16.616  26.898
  837    HE1  HIS 103           HE1      HIS 103  43.386 -17.554  22.888
  838    HE2  HIS 103           HE2      HIS 103  45.015 -18.050  24.778
  839    H    HIS 104           H        HIS 104  38.496 -15.582  27.893
  840    HA   HIS 104           HA       HIS 104  39.426 -18.042  29.155
  841    HB2  HIS 104           2HB      HIS 104  37.353 -17.866  30.426
  842    HB3  HIS 104           3HB      HIS 104  38.220 -16.325  30.432
  843    HD2  HIS 104           HD2      HIS 104  34.842 -17.689  29.912
  844    HE1  HIS 104           HE1      HIS 104  34.772 -14.010  27.778
  845    HE2  HIS 104           HE2      HIS 104  33.342 -15.902  28.718
  846    H    HIS 105           H        HIS 105  38.400 -17.561  26.124
  847    HA   HIS 105           HA       HIS 105  37.055 -20.201  26.003
  848    HB2  HIS 105           2HB      HIS 105  35.301 -18.455  25.994
  849    HB3  HIS 105           3HB      HIS 105  36.097 -17.666  24.626
  850    HD2  HIS 105           HD2      HIS 105  34.419 -21.087  25.481
  851    HE1  HIS 105           HE1      HIS 105  33.938 -20.417  21.308
  852    HE2  HIS 105           HE2      HIS 105  33.374 -21.973  23.248
  853    H    HIS 106           H        HIS 106  37.254 -21.238  23.926
  854    HA   HIS 106           HA       HIS 106  39.298 -20.113  22.104
  855    HB2  HIS 106           2HB      HIS 106  39.495 -22.858  23.397
  856    HB3  HIS 106           3HB      HIS 106  40.614 -22.164  22.215
  857    HD2  HIS 106           HD2      HIS 106  42.016 -19.892  23.116
  858    HE1  HIS 106           HE1      HIS 106  41.691 -20.924  27.230
  859    HE2  HIS 106           HE2      HIS 106  42.886 -19.434  25.547
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  -1.055  -6.371  -4.844
    2    H2   MET   1           H2       MET   1  -0.441  -7.208  -3.573
    3    H3   MET   1           H3       MET   1  -0.657  -7.963  -5.020
    4    HA   MET   1           HA       MET   1   1.655  -7.486  -4.658
    5    HB2  MET   1           2HB      MET   1   0.343  -5.827  -6.846
    6    HB3  MET   1           3HB      MET   1   2.071  -6.200  -6.761
    7    HG2  MET   1           2HG      MET   1   1.570  -8.614  -6.838
    8    HG3  MET   1           3HG      MET   1  -0.162  -8.257  -6.914
    9    HE1  MET   1           1HE      MET   1   2.902  -7.413 -10.291
   10    HE2  MET   1           2HE      MET   1   2.874  -6.456  -8.802
   11    HE3  MET   1           3HE      MET   1   3.281  -8.188  -8.732
   12    H    SER   2           H        SER   2   3.341  -5.792  -4.656
   13    HA   SER   2           HA       SER   2   2.508  -3.130  -3.698
   14    HB2  SER   2           2HB      SER   2   2.613  -4.528  -1.662
   15    HB3  SER   2           3HB      SER   2   4.281  -4.994  -2.075
   16    HG   SER   2           HG       SER   2   4.123  -3.222  -0.592
   17    H    GLU   3           H        GLU   3   4.371  -1.649  -3.559
   18    HA   GLU   3           HA       GLU   3   6.515  -2.417  -5.476
   19    HB2  GLU   3           2HB      GLU   3   6.690  -0.032  -5.997
   20    HB3  GLU   3           3HB      GLU   3   5.051  -0.632  -6.260
   21    HG2  GLU   3           2HG      GLU   3   4.362   0.297  -4.058
   22    HG3  GLU   3           3HG      GLU   3   6.011   0.888  -3.796
   23    H    GLN   4           H        GLN   4   6.003  -2.193  -2.232
   24    HA   GLN   4           HA       GLN   4   8.639  -1.007  -1.583
   25    HB2  GLN   4           2HB      GLN   4   6.415  -2.030   0.207
   26    HB3  GLN   4           3HB      GLN   4   7.871  -1.185   0.748
   27    HG2  GLN   4           2HG      GLN   4   5.730   0.008  -1.068
   28    HG3  GLN   4           3HG      GLN   4   5.927   0.325   0.664
   29   HE21  GLN   4          2HE2      GLN   4   8.082   1.242   1.371
   30   HE22  GLN   4          1HE2      GLN   4   8.871   2.367   0.290
   31    H    LEU   5           H        LEU   5   9.666  -2.297   0.395
   32    HA   LEU   5           HA       LEU   5  10.006  -5.093  -0.592
   33    HB2  LEU   5           2HB      LEU   5  12.094  -3.282   0.664
   34    HB3  LEU   5           3HB      LEU   5  12.362  -4.893  -0.025
   35    HG   LEU   5           HG       LEU   5  11.449  -2.417  -1.552
   36   HD11  LEU   5          1HD1      LEU   5  14.092  -3.947  -1.532
   37   HD12  LEU   5          2HD1      LEU   5  13.718  -2.548  -2.558
   38   HD13  LEU   5          3HD1      LEU   5  13.819  -2.350  -0.788
   39   HD21  LEU   5          3HD2      LEU   5  10.601  -4.526  -2.576
   40   HD22  LEU   5          1HD2      LEU   5  11.845  -3.765  -3.580
   41   HD23  LEU   5          2HD2      LEU   5  12.267  -5.167  -2.580
   42    H    THR   6           H        THR   6  10.550  -6.697   0.909
   43    HA   THR   6           HA       THR   6   9.886  -6.165   3.755
   44    HB   THR   6           HB       THR   6   8.552  -8.286   2.031
   45    HG1  THR   6           1HG      THR   6   6.733  -6.962   2.262
   46   HG21  THR   6          1HG2      THR   6   6.974  -8.360   4.026
   47   HG22  THR   6          2HG2      THR   6   8.578  -9.027   4.324
   48   HG23  THR   6          3HG2      THR   6   8.175  -7.394   4.919
   49    H    ASP   7           H        ASP   7  10.214  -8.395   4.980
   50    HA   ASP   7           HA       ASP   7  12.929  -9.050   4.814
   51    HB2  ASP   7           2HB      ASP   7  12.355 -10.875   6.358
   52    HB3  ASP   7           3HB      ASP   7  11.551  -9.356   6.798
   53    H    GLN   8           H        GLN   8  10.329 -10.247   2.834
   54    HA   GLN   8           HA       GLN   8  11.469 -12.782   2.137
   55    HB2  GLN   8           2HB      GLN   8   9.136 -12.220   1.660
   56    HB3  GLN   8           3HB      GLN   8   9.638 -10.864   0.638
   57    HG2  GLN   8           2HG      GLN   8   8.980 -12.782  -0.738
   58    HG3  GLN   8           3HG      GLN   8  10.699 -12.429  -0.950
   59   HE21  GLN   8          2HE2      GLN   8  12.283 -13.862   0.047
   60   HE22  GLN   8          1HE2      GLN   8  11.832 -15.505   0.467
   61    H    VAL   9           H        VAL   9  11.619  -9.554   0.551
   62    HA   VAL   9           HA       VAL   9  13.594 -10.546  -1.372
   63    HB   VAL   9           HB       VAL   9  11.896  -9.127  -2.243
   64   HG11  VAL   9          1HG1      VAL   9  12.661  -7.097  -0.120
   65   HG12  VAL   9          2HG1      VAL   9  11.499  -6.832  -1.445
   66   HG13  VAL   9          3HG1      VAL   9  11.148  -8.032  -0.198
   67   HG21  VAL   9          3HG2      VAL   9  14.351  -7.345  -1.945
   68   HG22  VAL   9          1HG2      VAL   9  14.225  -8.702  -3.090
   69   HG23  VAL   9          2HG2      VAL   9  13.134  -7.300  -3.232
   70    H    LEU  10           H        LEU  10  13.558  -8.727   1.655
   71    HA   LEU  10           HA       LEU  10  16.199  -7.602   1.325
   72    HB2  LEU  10           2HB      LEU  10  14.176  -7.901   3.506
   73    HB3  LEU  10           3HB      LEU  10  15.862  -7.728   4.008
   74    HG   LEU  10           HG       LEU  10  16.114  -5.671   2.772
   75   HD11  LEU  10          1HD1      LEU  10  13.198  -6.001   1.967
   76   HD12  LEU  10          2HD1      LEU  10  14.194  -4.552   1.695
   77   HD13  LEU  10          3HD1      LEU  10  14.612  -6.064   0.875
   78   HD21  LEU  10          3HD2      LEU  10  14.551  -4.255   4.072
   79   HD22  LEU  10          1HD2      LEU  10  13.566  -5.699   4.445
   80   HD23  LEU  10          2HD2      LEU  10  15.224  -5.553   5.071
   81    H    VAL  11           H        VAL  11  14.992 -10.794   2.390
   82    HA   VAL  11           HA       VAL  11  17.648 -11.509   3.403
   83    HB   VAL  11           HB       VAL  11  15.102 -13.105   2.997
   84   HG11  VAL  11          1HG1      VAL  11  17.832 -13.970   4.042
   85   HG12  VAL  11          2HG1      VAL  11  16.329 -14.882   4.285
   86   HG13  VAL  11          3HG1      VAL  11  16.964 -14.640   2.642
   87   HG21  VAL  11          3HG2      VAL  11  16.689 -12.280   5.474
   88   HG22  VAL  11          1HG2      VAL  11  15.221 -11.459   4.906
   89   HG23  VAL  11          2HG2      VAL  11  15.137 -13.155   5.445
   90    H    GLU  12           H        GLU  12  15.836 -11.757   0.344
   91    HA   GLU  12           HA       GLU  12  17.710 -13.599  -0.862
   92    HB2  GLU  12           2HB      GLU  12  15.701 -11.608  -1.980
   93    HB3  GLU  12           3HB      GLU  12  16.694 -12.654  -3.000
   94    HG2  GLU  12           2HG      GLU  12  15.784 -14.654  -1.843
   95    HG3  GLU  12           3HG      GLU  12  14.765 -13.614  -0.845
   96    H    ARG  13           H        ARG  13  17.499 -10.063  -0.539
   97    HA   ARG  13           HA       ARG  13  19.511  -9.518  -2.513
   98    HB2  ARG  13           2HB      ARG  13  17.745  -7.940  -1.898
   99    HB3  ARG  13           3HB      ARG  13  18.389  -7.804  -0.251
  100    HG2  ARG  13           2HG      ARG  13  20.396  -6.767  -1.039
  101    HG3  ARG  13           3HG      ARG  13  20.039  -7.203  -2.735
  102    HD2  ARG  13           2HD      ARG  13  18.002  -5.737  -2.611
  103    HD3  ARG  13           3HD      ARG  13  18.538  -5.197  -1.007
  104    HE   ARG  13           HE       ARG  13  20.698  -4.866  -2.815
  105   HH11  ARG  13          1HH1      ARG  13  17.483  -3.521  -2.230
  106   HH12  ARG  13          2HH1      ARG  13  17.868  -1.990  -2.976
  107   HH21  ARG  13          1HH2      ARG  13  21.161  -2.911  -3.805
  108   HH22  ARG  13          2HH2      ARG  13  19.972  -1.625  -3.846
  109    H    VAL  14           H        VAL  14  19.636  -9.993   1.040
  110    HA   VAL  14           HA       VAL  14  22.424  -9.219   1.212
  111    HB   VAL  14           HB       VAL  14  22.335 -10.192   3.456
  112   HG11  VAL  14          1HG1      VAL  14  21.533  -7.939   3.184
  113   HG12  VAL  14          2HG1      VAL  14  19.939  -8.509   2.628
  114   HG13  VAL  14          3HG1      VAL  14  20.439  -8.785   4.310
  115   HG21  VAL  14          3HG2      VAL  14  19.542 -11.074   2.653
  116   HG22  VAL  14          1HG2      VAL  14  20.906 -12.149   3.064
  117   HG23  VAL  14          2HG2      VAL  14  20.188 -11.096   4.307
  118    H    GLN  15           H        GLN  15  20.725 -12.194   0.353
  119    HA   GLN  15           HA       GLN  15  23.107 -13.860   0.588
  120    HB2  GLN  15           2HB      GLN  15  20.385 -14.247  -0.706
  121    HB3  GLN  15           3HB      GLN  15  21.649 -15.491  -0.670
  122    HG2  GLN  15           2HG      GLN  15  21.665 -15.501   1.778
  123    HG3  GLN  15           3HG      GLN  15  20.512 -14.185   1.838
  124   HE21  GLN  15          2HE2      GLN  15  19.889 -16.497   3.189
  125   HE22  GLN  15          1HE2      GLN  15  18.598 -17.342   2.369
  126    H    LYS  16           H        LYS  16  21.906 -11.556  -1.682
  127    HA   LYS  16           HA       LYS  16  23.460 -12.672  -3.917
  128    HB2  LYS  16           2HB      LYS  16  21.515 -10.367  -3.648
  129    HB3  LYS  16           3HB      LYS  16  22.442 -10.670  -5.125
  130    HG2  LYS  16           2HG      LYS  16  21.496 -12.879  -5.383
  131    HG3  LYS  16           3HG      LYS  16  20.759 -12.818  -3.771
  132    HD2  LYS  16           2HD      LYS  16  19.373 -10.872  -4.525
  133    HD3  LYS  16           3HD      LYS  16  20.008 -11.097  -6.169
  134    HE2  LYS  16           2HE      LYS  16  18.537 -13.206  -4.520
  135    HE3  LYS  16           3HE      LYS  16  17.784 -12.208  -5.780
  136    HZ1  LYS  16           3HZ      LYS  16  19.989 -14.115  -6.199
  137    HZ2  LYS  16           1HZ      LYS  16  18.426 -14.355  -6.625
  138    HZ3  LYS  16           2HZ      LYS  16  19.300 -13.176  -7.364
  139    H    GLY  17           H        GLY  17  24.277 -10.944  -1.223
  140    HA2  GLY  17           2HA      GLY  17  26.615 -10.455  -0.999
  141    HA3  GLY  17           3HA      GLY  17  26.648  -9.877  -2.671
  142    H    ASP  18           H        ASP  18  23.816  -8.624  -1.380
  143    HA   ASP  18           HA       ASP  18  25.145  -6.033  -0.830
  144    HB2  ASP  18           2HB      ASP  18  22.365  -6.955  -1.546
  145    HB3  ASP  18           3HB      ASP  18  22.588  -5.392  -0.764
  146    H    GLN  19           H        GLN  19  26.062  -6.635   1.218
  147    HA   GLN  19           HA       GLN  19  24.476  -7.597   3.393
  148    HB2  GLN  19           2HB      GLN  19  26.916  -7.799   3.178
  149    HB3  GLN  19           3HB      GLN  19  27.109  -6.054   3.358
  150    HG2  GLN  19           2HG      GLN  19  25.677  -7.728   5.453
  151    HG3  GLN  19           3HG      GLN  19  27.436  -7.643   5.418
  152   HE21  GLN  19          2HE2      GLN  19  26.135  -6.797   7.683
  153   HE22  GLN  19          1HE2      GLN  19  26.255  -5.051   7.812
  154    H    LYS  20           H        LYS  20  24.813  -4.468   1.914
  155    HA   LYS  20           HA       LYS  20  24.108  -2.773   4.088
  156    HB2  LYS  20           2HB      LYS  20  23.517  -1.188   2.309
  157    HB3  LYS  20           3HB      LYS  20  25.040  -2.012   1.948
  158    HG2  LYS  20           2HG      LYS  20  23.741  -3.627   0.487
  159    HG3  LYS  20           3HG      LYS  20  22.305  -2.612   0.740
  160    HD2  LYS  20           2HD      LYS  20  23.522  -0.680  -0.235
  161    HD3  LYS  20           3HD      LYS  20  24.959  -1.716  -0.455
  162    HE2  LYS  20           2HE      LYS  20  23.619  -3.214  -1.916
  163    HE3  LYS  20           3HE      LYS  20  22.223  -2.139  -1.722
  164    HZ1  LYS  20           3HZ      LYS  20  24.814  -1.358  -2.895
  165    HZ2  LYS  20           1HZ      LYS  20  23.452  -1.690  -3.745
  166    HZ3  LYS  20           2HZ      LYS  20  23.496  -0.389  -2.742
  167    H    ALA  21           H        ALA  21  22.196  -5.047   2.191
  168    HA   ALA  21           HA       ALA  21  19.663  -3.804   2.951
  169    HB1  ALA  21           1HB      ALA  21  20.288  -6.486   1.656
  170    HB2  ALA  21           2HB      ALA  21  18.671  -5.765   1.847
  171    HB3  ALA  21           3HB      ALA  21  19.887  -4.977   0.808
  172    H    PHE  22           H        PHE  22  21.934  -6.054   4.384
  173    HA   PHE  22           HA       PHE  22  19.956  -7.303   6.128
  174    HB2  PHE  22           2HB      PHE  22  22.092  -8.419   5.529
  175    HB3  PHE  22           3HB      PHE  22  22.974  -7.154   6.388
  176    HD1  PHE  22           HD2      PHE  22  20.175  -9.615   6.910
  177    HD2  PHE  22           HD1      PHE  22  23.497  -7.506   8.651
  178    HE1  PHE  22           HE2      PHE  22  19.849 -10.856   9.027
  179    HE2  PHE  22           HE1      PHE  22  23.151  -8.735  10.781
  180    HZ   PHE  22           HZ       PHE  22  21.330 -10.402  10.969
  181    H    ASN  23           H        ASN  23  22.220  -4.543   6.236
  182    HA   ASN  23           HA       ASN  23  21.911  -3.886   8.990
  183    HB2  ASN  23           2HB      ASN  23  23.675  -2.902   7.701
  184    HB3  ASN  23           3HB      ASN  23  22.547  -2.339   6.461
  185   HD21  ASN  23          2HD2      ASN  23  21.522  -0.391   6.663
  186   HD22  ASN  23          1HD2      ASN  23  21.758   0.696   8.017
  187    H    LEU  24           H        LEU  24  20.059  -2.980   6.069
  188    HA   LEU  24           HA       LEU  24  18.213  -1.306   7.544
  189    HB2  LEU  24           2HB      LEU  24  18.072  -2.480   4.740
  190    HB3  LEU  24           3HB      LEU  24  16.992  -1.237   5.406
  191    HG   LEU  24           HG       LEU  24  20.009  -0.904   5.154
  192   HD11  LEU  24          1HD1      LEU  24  17.767   0.115   3.371
  193   HD12  LEU  24          2HD1      LEU  24  19.495   0.525   3.227
  194   HD13  LEU  24          3HD1      LEU  24  18.960  -1.146   2.955
  195   HD21  LEU  24          3HD2      LEU  24  19.460   1.500   5.474
  196   HD22  LEU  24          1HD2      LEU  24  17.750   1.072   5.709
  197   HD23  LEU  24          2HD2      LEU  24  18.977   0.534   6.880
  198    H    LEU  25           H        LEU  25  18.469  -4.725   6.951
  199    HA   LEU  25           HA       LEU  25  15.618  -5.246   7.381
  200    HB2  LEU  25           2HB      LEU  25  16.959  -6.700   5.929
  201    HB3  LEU  25           3HB      LEU  25  18.087  -7.027   7.250
  202    HG   LEU  25           HG       LEU  25  16.270  -8.154   8.519
  203   HD11  LEU  25          1HD1      LEU  25  14.311  -6.996   7.541
  204   HD12  LEU  25          2HD1      LEU  25  14.676  -7.725   5.957
  205   HD13  LEU  25          3HD1      LEU  25  14.190  -8.756   7.323
  206   HD21  LEU  25          3HD2      LEU  25  16.732  -9.137   5.672
  207   HD22  LEU  25          1HD2      LEU  25  17.799  -9.422   7.062
  208   HD23  LEU  25          2HD2      LEU  25  16.169 -10.135   7.040
  209    H    VAL  26           H        VAL  26  18.654  -5.414   9.359
  210    HA   VAL  26           HA       VAL  26  17.189  -6.629  11.525
  211    HB   VAL  26           HB       VAL  26  19.127  -6.330  12.878
  212   HG11  VAL  26          1HG1      VAL  26  20.799  -7.506  11.542
  213   HG12  VAL  26          2HG1      VAL  26  19.168  -8.148  11.235
  214   HG13  VAL  26          3HG1      VAL  26  19.945  -7.078  10.048
  215   HG21  VAL  26          3HG2      VAL  26  19.754  -4.054  12.314
  216   HG22  VAL  26          1HG2      VAL  26  21.134  -5.154  12.113
  217   HG23  VAL  26          2HG2      VAL  26  20.247  -4.574  10.677
  218    H    VAL  27           H        VAL  27  17.610  -3.235  10.552
  219    HA   VAL  27           HA       VAL  27  17.051  -2.186  13.173
  220    HB   VAL  27           HB       VAL  27  16.416  -0.099  11.966
  221   HG11  VAL  27          1HG1      VAL  27  18.751  -0.522  12.575
  222   HG12  VAL  27          2HG1      VAL  27  18.992  -1.439  11.065
  223   HG13  VAL  27          3HG1      VAL  27  18.660   0.302  10.997
  224   HG21  VAL  27          3HG2      VAL  27  16.739   0.049   9.558
  225   HG22  VAL  27          1HG2      VAL  27  17.129  -1.685   9.481
  226   HG23  VAL  27          2HG2      VAL  27  15.479  -1.158   9.903
  227    H    ARG  28           H        ARG  28  14.998  -3.546  10.634
  228    HA   ARG  28           HA       ARG  28  12.519  -2.463  11.644
  229    HB2  ARG  28           2HB      ARG  28  12.911  -5.099  10.179
  230    HB3  ARG  28           3HB      ARG  28  11.473  -4.061  10.203
  231    HG2  ARG  28           2HG      ARG  28  12.837  -2.293   8.993
  232    HG3  ARG  28           3HG      ARG  28  14.173  -3.453   8.922
  233    HD2  ARG  28           2HD      ARG  28  13.042  -3.575   6.822
  234    HD3  ARG  28           3HD      ARG  28  12.687  -5.063   7.712
  235    HE   ARG  28           HE       ARG  28  10.548  -3.566   8.381
  236   HH11  ARG  28          1HH1      ARG  28  12.070  -4.082   5.228
  237   HH12  ARG  28          2HH1      ARG  28  10.573  -3.871   4.346
  238   HH21  ARG  28          1HH2      ARG  28   8.618  -3.301   7.198
  239   HH22  ARG  28          2HH2      ARG  28   8.635  -3.439   5.456
  240    H    TYR  29           H        TYR  29  14.571  -5.221  12.386
  241    HA   TYR  29           HA       TYR  29  12.582  -6.258  14.318
  242    HB2  TYR  29           2HB      TYR  29  15.143  -7.423  13.179
  243    HB3  TYR  29           3HB      TYR  29  14.181  -8.190  14.420
  244    HD1  TYR  29           HD1      TYR  29  13.941  -6.909  10.912
  245    HD2  TYR  29           HD2      TYR  29  12.308  -9.484  13.938
  246    HE1  TYR  29           HE1      TYR  29  12.373  -7.851   9.240
  247    HE2  TYR  29           HE2      TYR  29  10.744 -10.447  12.282
  248    HH   TYR  29           HH       TYR  29  10.654  -9.345   8.867
  249    H    GLN  30           H        GLN  30  15.219  -4.109  14.352
  250    HA   GLN  30           HA       GLN  30  16.615  -4.987  16.661
  251    HB2  GLN  30           2HB      GLN  30  17.371  -3.366  14.939
  252    HB3  GLN  30           3HB      GLN  30  16.238  -2.166  15.577
  253    HG2  GLN  30           2HG      GLN  30  17.451  -2.159  17.716
  254    HG3  GLN  30           3HG      GLN  30  18.519  -3.460  17.130
  255   HE21  GLN  30          2HE2      GLN  30  19.474  -2.932  14.825
  256   HE22  GLN  30          1HE2      GLN  30  20.136  -1.322  14.637
  257    H    HIS  31           H        HIS  31  13.611  -3.139  16.268
  258    HA   HIS  31           HA       HIS  31  13.463  -2.567  19.155
  259    HB2  HIS  31           2HB      HIS  31  12.659  -0.944  17.488
  260    HB3  HIS  31           3HB      HIS  31  11.487  -2.128  16.888
  261    HD2  HIS  31           HD2      HIS  31   9.177  -2.206  18.064
  262    HE1  HIS  31           HE1      HIS  31  10.033   0.215  21.453
  263    HE2  HIS  31           HE2      HIS  31   8.196  -1.016  20.184
  264    H    LYS  32           H        LYS  32  12.194  -4.954  16.839
  265    HA   LYS  32           HA       LYS  32  10.114  -5.867  18.681
  266    HB2  LYS  32           2HB      LYS  32  11.185  -7.054  16.093
  267    HB3  LYS  32           3HB      LYS  32   9.703  -7.549  16.941
  268    HG2  LYS  32           2HG      LYS  32   8.753  -5.288  16.623
  269    HG3  LYS  32           3HG      LYS  32  10.225  -4.781  15.769
  270    HD2  LYS  32           2HD      LYS  32   9.846  -6.552  14.066
  271    HD3  LYS  32           3HD      LYS  32   8.355  -7.031  14.907
  272    HE2  LYS  32           2HE      LYS  32   7.442  -4.754  14.580
  273    HE3  LYS  32           3HE      LYS  32   8.924  -4.283  13.723
  274    HZ1  LYS  32           3HZ      LYS  32   7.188  -4.895  12.201
  275    HZ2  LYS  32           1HZ      LYS  32   8.434  -5.954  12.080
  276    HZ3  LYS  32           2HZ      LYS  32   7.056  -6.391  12.870
  277    H    VAL  33           H        VAL  33  13.378  -6.924  17.717
  278    HA   VAL  33           HA       VAL  33  13.271  -9.470  19.056
  279    HB   VAL  33           HB       VAL  33  15.604  -7.693  18.171
  280   HG11  VAL  33          1HG1      VAL  33  15.432 -10.650  18.727
  281   HG12  VAL  33          2HG1      VAL  33  16.868  -9.775  18.123
  282   HG13  VAL  33          3HG1      VAL  33  16.272  -9.481  19.797
  283   HG21  VAL  33          3HG2      VAL  33  15.752  -9.082  16.249
  284   HG22  VAL  33          1HG2      VAL  33  14.526 -10.211  16.858
  285   HG23  VAL  33          2HG2      VAL  33  14.021  -8.578  16.352
  286    H    ALA  34           H        ALA  34  14.366  -6.165  19.874
  287    HA   ALA  34           HA       ALA  34  15.550  -6.821  22.369
  288    HB1  ALA  34           1HB      ALA  34  14.216  -4.246  21.431
  289    HB2  ALA  34           2HB      ALA  34  15.334  -4.397  22.809
  290    HB3  ALA  34           3HB      ALA  34  15.911  -4.695  21.154
  291    H    SER  35           H        SER  35  12.174  -6.493  21.381
  292    HA   SER  35           HA       SER  35  11.140  -5.951  24.020
  293    HB2  SER  35           2HB      SER  35   9.978  -5.386  21.882
  294    HB3  SER  35           3HB      SER  35   9.761  -7.126  21.579
  295    HG   SER  35           HG       SER  35   7.950  -6.138  22.609
  296    H    LEU  36           H        LEU  36  11.459  -8.929  21.994
  297    HA   LEU  36           HA       LEU  36  10.268 -10.512  24.134
  298    HB2  LEU  36           2HB      LEU  36  10.400 -12.362  22.652
  299    HB3  LEU  36           3HB      LEU  36   9.881 -10.954  21.726
  300    HG   LEU  36           HG       LEU  36  12.458 -10.745  21.135
  301   HD11  LEU  36          1HD1      LEU  36  12.161 -13.717  21.792
  302   HD12  LEU  36          2HD1      LEU  36  13.518 -12.984  20.913
  303   HD13  LEU  36          3HD1      LEU  36  13.265 -12.599  22.620
  304   HD21  LEU  36          3HD2      LEU  36  10.645 -12.917  20.016
  305   HD22  LEU  36          1HD2      LEU  36  10.659 -11.203  19.529
  306   HD23  LEU  36          2HD2      LEU  36  12.074 -12.234  19.206
  307    H    VAL  37           H        VAL  37  13.551  -9.675  23.089
  308    HA   VAL  37           HA       VAL  37  14.664 -11.862  24.661
  309    HB   VAL  37           HB       VAL  37  15.559 -10.929  22.460
  310   HG11  VAL  37          1HG1      VAL  37  17.027  -9.094  22.489
  311   HG12  VAL  37          2HG1      VAL  37  15.606  -8.522  23.406
  312   HG13  VAL  37          3HG1      VAL  37  17.087  -9.044  24.258
  313   HG21  VAL  37          3HG2      VAL  37  16.715 -12.603  23.865
  314   HG22  VAL  37          1HG2      VAL  37  17.846 -11.490  23.065
  315   HG23  VAL  37          2HG2      VAL  37  17.477 -11.283  24.794
  316    H    SER  38           H        SER  38  13.644  -8.616  25.313
  317    HA   SER  38           HA       SER  38  15.326  -8.139  27.605
  318    HB2  SER  38           2HB      SER  38  14.029  -6.369  26.441
  319    HB3  SER  38           3HB      SER  38  12.522  -7.135  26.972
  320    HG   SER  38           HG       SER  38  13.203  -5.430  28.349
  321    H    ARG  39           H        ARG  39  12.849 -10.407  26.952
  322    HA   ARG  39           HA       ARG  39  11.990 -10.724  29.735
  323    HB2  ARG  39           2HB      ARG  39  11.434 -12.458  27.308
  324    HB3  ARG  39           3HB      ARG  39  10.563 -12.475  28.849
  325    HG2  ARG  39           2HG      ARG  39   9.811 -10.142  28.457
  326    HG3  ARG  39           3HG      ARG  39  10.691 -10.112  26.915
  327    HD2  ARG  39           2HD      ARG  39   9.330 -12.056  26.138
  328    HD3  ARG  39           3HD      ARG  39   8.378 -11.942  27.634
  329    HE   ARG  39           HE       ARG  39   8.415  -9.383  26.396
  330   HH11  ARG  39          1HH1      ARG  39   7.110 -12.617  25.825
  331   HH12  ARG  39          2HH1      ARG  39   5.746 -12.024  24.903
  332   HH21  ARG  39          1HH2      ARG  39   6.651  -8.648  25.181
  333   HH22  ARG  39          2HH2      ARG  39   5.499  -9.785  24.519
  334    H    TYR  40           H        TYR  40  14.769 -11.573  28.046
  335    HA   TYR  40           HA       TYR  40  15.169 -13.987  29.751
  336    HB2  TYR  40           2HB      TYR  40  16.140 -13.469  26.923
  337    HB3  TYR  40           3HB      TYR  40  16.619 -14.843  27.931
  338    HD1  TYR  40           HD1      TYR  40  14.958 -16.570  28.581
  339    HD2  TYR  40           HD2      TYR  40  14.013 -13.435  25.792
  340    HE1  TYR  40           HE1      TYR  40  12.971 -17.848  27.823
  341    HE2  TYR  40           HE2      TYR  40  12.045 -14.722  25.008
  342    HH   TYR  40           HH       TYR  40  11.172 -17.902  26.412
  343    H    VAL  41           H        VAL  41  16.338 -10.853  28.847
  344    HA   VAL  41           HA       VAL  41  18.537 -11.184  30.791
  345    HB   VAL  41           HB       VAL  41  19.996  -9.745  29.261
  346   HG11  VAL  41          1HG1      VAL  41  20.456 -12.127  29.716
  347   HG12  VAL  41          2HG1      VAL  41  19.399 -12.588  28.362
  348   HG13  VAL  41          3HG1      VAL  41  20.898 -11.673  28.061
  349   HG21  VAL  41          3HG2      VAL  41  18.171 -10.842  27.095
  350   HG22  VAL  41          1HG2      VAL  41  18.201  -9.143  27.636
  351   HG23  VAL  41          2HG2      VAL  41  19.633  -9.861  26.877
  352    HA   PRO  42           HA       PRO  42  17.018  -7.325  32.220
  353    HB2  PRO  42           2HB      PRO  42  19.227  -6.104  33.257
  354    HB3  PRO  42           3HB      PRO  42  18.501  -7.575  33.989
  355    HG2  PRO  42           2HG      PRO  42  20.816  -7.428  32.036
  356    HG3  PRO  42           3HG      PRO  42  20.766  -8.286  33.614
  357    HD2  PRO  42           2HD      PRO  42  20.286  -9.608  31.315
  358    HD3  PRO  42           3HD      PRO  42  19.271  -9.931  32.756
  359    H    SER  43           H        SER  43  17.208  -4.927  31.953
  360    HA   SER  43           HA       SER  43  17.385  -4.330  29.179
  361    HB2  SER  43           2HB      SER  43  16.838  -2.036  29.905
  362    HB3  SER  43           3HB      SER  43  15.806  -3.250  30.690
  363    HG   SER  43           HG       SER  43  16.645  -1.692  32.164
  364    H    GLY  44           H        GLY  44  19.901  -4.478  31.509
  365    HA2  GLY  44           2HA      GLY  44  21.550  -2.400  30.237
  366    HA3  GLY  44           3HA      GLY  44  21.992  -3.458  31.589
  367    H    ASP  45           H        ASP  45  20.920  -5.823  29.840
  368    HA   ASP  45           HA       ASP  45  23.382  -6.093  28.168
  369    HB2  ASP  45           2HB      ASP  45  21.807  -8.178  29.713
  370    HB3  ASP  45           3HB      ASP  45  23.168  -8.516  28.636
  371    H    VAL  46           H        VAL  46  20.051  -5.655  27.993
  372    HA   VAL  46           HA       VAL  46  19.388  -7.651  26.072
  373    HB   VAL  46           HB       VAL  46  17.805  -6.426  27.585
  374   HG11  VAL  46          1HG1      VAL  46  17.984  -4.246  25.465
  375   HG12  VAL  46          2HG1      VAL  46  16.789  -4.359  26.779
  376   HG13  VAL  46          3HG1      VAL  46  18.498  -4.099  27.172
  377   HG21  VAL  46          3HG2      VAL  46  15.988  -6.366  25.894
  378   HG22  VAL  46          1HG2      VAL  46  17.201  -6.550  24.614
  379   HG23  VAL  46          2HG2      VAL  46  16.988  -7.835  25.846
  380    HA   PRO  47           HA       PRO  47  20.069  -4.393  22.718
  381    HB2  PRO  47           2HB      PRO  47  21.963  -2.473  22.919
  382    HB3  PRO  47           3HB      PRO  47  20.352  -2.281  23.694
  383    HG2  PRO  47           2HG      PRO  47  22.923  -3.252  24.975
  384    HG3  PRO  47           3HG      PRO  47  21.826  -1.958  25.563
  385    HD2  PRO  47           2HD      PRO  47  21.704  -4.531  26.459
  386    HD3  PRO  47           3HD      PRO  47  20.225  -3.532  26.284
  387    H    ASP  48           H        ASP  48  22.732  -5.703  24.625
  388    HA   ASP  48           HA       ASP  48  24.548  -5.860  22.346
  389    HB2  ASP  48           2HB      ASP  48  25.285  -5.515  24.720
  390    HB3  ASP  48           3HB      ASP  48  24.708  -7.151  25.092
  391    H    VAL  49           H        VAL  49  22.165  -7.916  23.960
  392    HA   VAL  49           HA       VAL  49  23.041 -10.340  22.605
  393    HB   VAL  49           HB       VAL  49  20.555  -9.629  24.210
  394   HG11  VAL  49          1HG1      VAL  49  21.497 -12.324  23.140
  395   HG12  VAL  49          2HG1      VAL  49  20.161 -12.070  24.285
  396   HG13  VAL  49          3HG1      VAL  49  20.030 -11.452  22.627
  397   HG21  VAL  49          3HG2      VAL  49  23.013 -11.327  24.831
  398   HG22  VAL  49          1HG2      VAL  49  22.695  -9.706  25.478
  399   HG23  VAL  49          2HG2      VAL  49  21.628 -11.055  25.917
  400    H    VAL  50           H        VAL  50  20.741  -7.693  21.936
  401    HA   VAL  50           HA       VAL  50  19.494  -8.993  19.668
  402    HB   VAL  50           HB       VAL  50  19.879  -6.088  20.471
  403   HG11  VAL  50          1HG1      VAL  50  18.247  -7.266  18.172
  404   HG12  VAL  50          2HG1      VAL  50  18.166  -5.584  18.737
  405   HG13  VAL  50          3HG1      VAL  50  19.666  -6.192  18.021
  406   HG21  VAL  50          3HG2      VAL  50  17.429  -7.893  20.373
  407   HG22  VAL  50          1HG2      VAL  50  18.353  -7.534  21.850
  408   HG23  VAL  50          2HG2      VAL  50  17.496  -6.226  20.992
  409    H    GLN  51           H        GLN  51  22.472  -7.049  20.169
  410    HA   GLN  51           HA       GLN  51  23.035  -6.844  17.347
  411    HB2  GLN  51           2HB      GLN  51  23.931  -5.284  19.057
  412    HB3  GLN  51           3HB      GLN  51  24.901  -6.606  19.742
  413    HG2  GLN  51           2HG      GLN  51  26.107  -6.864  17.626
  414    HG3  GLN  51           3HG      GLN  51  25.098  -5.627  16.865
  415   HE21  GLN  51          2HE2      GLN  51  27.587  -4.998  16.551
  416   HE22  GLN  51          1HE2      GLN  51  28.180  -3.835  17.719
  417    H    GLU  52           H        GLU  52  24.115  -9.101  19.971
  418    HA   GLU  52           HA       GLU  52  25.879 -10.542  18.220
  419    HB2  GLU  52           2HB      GLU  52  26.059 -10.543  20.684
  420    HB3  GLU  52           3HB      GLU  52  24.527 -11.442  20.803
  421    HG2  GLU  52           2HG      GLU  52  25.476 -13.355  19.685
  422    HG3  GLU  52           3HG      GLU  52  26.916 -12.444  19.213
  423    H    ALA  53           H        ALA  53  22.395 -10.689  18.855
  424    HA   ALA  53           HA       ALA  53  22.025 -13.263  17.606
  425    HB1  ALA  53           1HB      ALA  53  20.395 -12.334  19.175
  426    HB2  ALA  53           2HB      ALA  53  20.081 -10.969  18.074
  427    HB3  ALA  53           3HB      ALA  53  19.647 -12.623  17.584
  428    H    PHE  54           H        PHE  54  21.987  -9.845  16.431
  429    HA   PHE  54           HA       PHE  54  21.224 -10.608  13.750
  430    HB2  PHE  54           2HB      PHE  54  22.600  -8.131  14.849
  431    HB3  PHE  54           3HB      PHE  54  22.025  -8.306  13.195
  432    HD1  PHE  54           HD1      PHE  54  19.406  -9.870  14.002
  433    HD2  PHE  54           HD2      PHE  54  21.221  -6.202  15.348
  434    HE1  PHE  54           HE1      PHE  54  17.190  -9.000  14.637
  435    HE2  PHE  54           HE2      PHE  54  18.982  -5.324  15.936
  436    HZ   PHE  54           HZ       PHE  54  16.970  -6.729  15.598
  437    H    ILE  55           H        ILE  55  24.388 -10.235  15.413
  438    HA   ILE  55           HA       ILE  55  25.913 -10.444  12.972
  439    HB   ILE  55           HB       ILE  55  26.603 -10.992  15.882
  440   HG12  ILE  55          2HG1      ILE  55  27.331  -8.635  14.078
  441   HG13  ILE  55          3HG1      ILE  55  25.991  -8.621  15.219
  442   HG21  ILE  55          1HG2      ILE  55  28.452 -10.779  13.468
  443   HG22  ILE  55          2HG2      ILE  55  28.974 -10.925  15.164
  444   HG23  ILE  55          3HG2      ILE  55  28.114 -12.257  14.394
  445   HD11  ILE  55          3HD1      ILE  55  27.585  -9.064  17.087
  446   HD12  ILE  55          1HD1      ILE  55  28.935  -8.962  15.926
  447   HD13  ILE  55          2HD1      ILE  55  27.924  -7.542  16.225
  448    H    LYS  56           H        LYS  56  24.699 -12.778  15.400
  449    HA   LYS  56           HA       LYS  56  25.951 -15.051  14.110
  450    HB2  LYS  56           2HB      LYS  56  25.475 -14.856  16.545
  451    HB3  LYS  56           3HB      LYS  56  23.734 -14.894  16.195
  452    HG2  LYS  56           2HG      LYS  56  23.914 -17.131  15.275
  453    HG3  LYS  56           3HG      LYS  56  25.694 -17.055  15.327
  454    HD2  LYS  56           2HD      LYS  56  24.955 -18.388  17.194
  455    HD3  LYS  56           3HD      LYS  56  25.573 -16.842  17.816
  456    HE2  LYS  56           2HE      LYS  56  23.287 -15.971  18.008
  457    HE3  LYS  56           3HE      LYS  56  22.638 -17.476  17.337
  458    HZ1  LYS  56           3HZ      LYS  56  23.505 -18.648  19.222
  459    HZ2  LYS  56           1HZ      LYS  56  24.189 -17.281  19.830
  460    HZ3  LYS  56           2HZ      LYS  56  22.555 -17.403  19.737
  461    H    ALA  57           H        ALA  57  22.829 -13.377  13.848
  462    HA   ALA  57           HA       ALA  57  21.491 -15.520  12.478
  463    HB1  ALA  57           1HB      ALA  57  20.999 -12.517  12.498
  464    HB2  ALA  57           2HB      ALA  57  19.902 -13.726  11.802
  465    HB3  ALA  57           3HB      ALA  57  20.225 -13.735  13.549
  466    H    TYR  58           H        TYR  58  23.481 -12.699  11.369
  467    HA   TYR  58           HA       TYR  58  22.854 -13.003   8.618
  468    HB2  TYR  58           2HB      TYR  58  23.955 -11.045   9.684
  469    HB3  TYR  58           3HB      TYR  58  25.410 -12.016   9.936
  470    HD1  TYR  58           HD1      TYR  58  23.041 -11.067   7.158
  471    HD2  TYR  58           HD2      TYR  58  27.097 -11.871   8.340
  472    HE1  TYR  58           HE1      TYR  58  23.822 -10.404   4.903
  473    HE2  TYR  58           HE2      TYR  58  27.892 -11.249   6.076
  474    HH   TYR  58           HH       TYR  58  25.626 -10.198   3.493
  475    H    ARG  59           H        ARG  59  25.338 -14.513  10.674
  476    HA   ARG  59           HA       ARG  59  26.738 -15.839   8.529
  477    HB2  ARG  59           2HB      ARG  59  26.572 -16.337  11.528
  478    HB3  ARG  59           3HB      ARG  59  27.751 -17.107  10.444
  479    HG2  ARG  59           2HG      ARG  59  28.784 -14.997   9.920
  480    HG3  ARG  59           3HG      ARG  59  27.477 -14.078  10.700
  481    HD2  ARG  59           2HD      ARG  59  28.066 -14.947  12.878
  482    HD3  ARG  59           3HD      ARG  59  29.266 -16.037  12.160
  483    HE   ARG  59           HE       ARG  59  29.944 -13.412  11.368
  484   HH11  ARG  59          1HH1      ARG  59  29.711 -15.263  14.366
  485   HH12  ARG  59          2HH1      ARG  59  30.946 -14.321  15.179
  486   HH21  ARG  59          1HH2      ARG  59  31.558 -12.212  12.449
  487   HH22  ARG  59          2HH2      ARG  59  31.983 -12.607  14.101
  488    H    ALA  60           H        ALA  60  23.869 -16.548  10.398
  489    HA   ALA  60           HA       ALA  60  23.774 -19.326   9.385
  490    HB1  ALA  60           1HB      ALA  60  21.955 -17.795  11.290
  491    HB2  ALA  60           2HB      ALA  60  21.856 -19.532  10.906
  492    HB3  ALA  60           3HB      ALA  60  23.275 -18.887  11.761
  493    H    LEU  61           H        LEU  61  22.779 -16.199   8.411
  494    HA   LEU  61           HA       LEU  61  20.199 -16.886   7.337
  495    HB2  LEU  61           2HB      LEU  61  21.021 -14.582   8.076
  496    HB3  LEU  61           3HB      LEU  61  22.037 -14.562   6.623
  497    HG   LEU  61           HG       LEU  61  19.944 -14.837   5.248
  498   HD11  LEU  61          1HD1      LEU  61  18.647 -14.446   7.977
  499   HD12  LEU  61          2HD1      LEU  61  17.787 -14.301   6.420
  500   HD13  LEU  61          3HD1      LEU  61  18.458 -15.865   6.924
  501   HD21  LEU  61          3HD2      LEU  61  19.187 -12.517   5.617
  502   HD22  LEU  61          1HD2      LEU  61  20.019 -12.490   7.192
  503   HD23  LEU  61          2HD2      LEU  61  20.966 -12.639   5.686
  504    H    ASP  62           H        ASP  62  23.524 -17.042   6.233
  505    HA   ASP  62           HA       ASP  62  23.002 -17.375   3.433
  506    HB2  ASP  62           2HB      ASP  62  25.207 -16.855   4.464
  507    HB3  ASP  62           3HB      ASP  62  25.235 -18.472   5.185
  508    H    SER  63           H        SER  63  22.192 -19.325   6.128
  509    HA   SER  63           HA       SER  63  21.970 -21.760   4.437
  510    HB2  SER  63           2HB      SER  63  22.050 -21.456   7.461
  511    HB3  SER  63           3HB      SER  63  21.886 -22.980   6.564
  512    HG   SER  63           HG       SER  63  24.062 -21.159   6.405
  513    H    PHE  64           H        PHE  64  20.124 -19.164   5.264
  514    HA   PHE  64           HA       PHE  64  17.694 -20.512   6.091
  515    HB2  PHE  64           2HB      PHE  64  18.165 -18.150   6.596
  516    HB3  PHE  64           3HB      PHE  64  18.176 -17.771   4.870
  517    HD1  PHE  64           HD1      PHE  64  15.966 -19.246   7.521
  518    HD2  PHE  64           HD2      PHE  64  16.206 -17.054   3.835
  519    HE1  PHE  64           HE1      PHE  64  13.523 -18.853   7.601
  520    HE2  PHE  64           HE2      PHE  64  13.770 -16.636   3.919
  521    HZ   PHE  64           HZ       PHE  64  12.416 -17.540   5.798
  522    H    ARG  65           H        ARG  65  15.875 -21.023   4.798
  523    HA   ARG  65           HA       ARG  65  16.366 -21.096   1.861
  524    HB2  ARG  65           2HB      ARG  65  15.606 -23.441   3.636
  525    HB3  ARG  65           3HB      ARG  65  15.578 -23.462   1.859
  526    HG2  ARG  65           2HG      ARG  65  17.982 -22.969   1.779
  527    HG3  ARG  65           3HG      ARG  65  18.043 -22.884   3.552
  528    HD2  ARG  65           2HD      ARG  65  17.333 -25.229   3.710
  529    HD3  ARG  65           3HD      ARG  65  17.252 -25.335   1.941
  530    HE   ARG  65           HE       ARG  65  19.840 -24.435   2.559
  531   HH11  ARG  65          1HH1      ARG  65  17.872 -27.305   3.215
  532   HH12  ARG  65          2HH1      ARG  65  19.257 -28.368   3.303
  533   HH21  ARG  65          1HH2      ARG  65  21.624 -25.851   2.697
  534   HH22  ARG  65          2HH2      ARG  65  21.366 -27.550   3.013
  535    H    GLY  66           H        GLY  66  14.310 -20.031   4.217
  536    HA2  GLY  66           2HA      GLY  66  12.236 -19.064   3.959
  537    HA3  GLY  66           3HA      GLY  66  12.236 -19.565   2.264
  538    H    ASP  67           H        ASP  67  12.767 -22.197   4.479
  539    HA   ASP  67           HA       ASP  67  10.205 -23.363   3.834
  540    HB2  ASP  67           2HB      ASP  67  12.384 -24.171   5.790
  541    HB3  ASP  67           3HB      ASP  67  10.957 -25.148   5.423
  542    H    SER  68           H        SER  68  11.078 -20.980   6.029
  543    HA   SER  68           HA       SER  68   8.495 -21.202   7.413
  544    HB2  SER  68           2HB      SER  68   9.549 -20.863   9.627
  545    HB3  SER  68           3HB      SER  68  10.032 -22.408   8.904
  546    HG   SER  68           HG       SER  68  11.810 -21.249   9.760
  547    H    ALA  69           H        ALA  69   8.146 -19.086   8.723
  548    HA   ALA  69           HA       ALA  69   8.757 -16.874   6.990
  549    HB1  ALA  69           1HB      ALA  69   6.672 -17.041   8.289
  550    HB2  ALA  69           2HB      ALA  69   7.600 -16.906   9.802
  551    HB3  ALA  69           3HB      ALA  69   7.557 -15.544   8.660
  552    H    PHE  70           H        PHE  70  10.107 -15.048   7.375
  553    HA   PHE  70           HA       PHE  70  12.633 -15.747   8.519
  554    HB2  PHE  70           2HB      PHE  70  12.475 -14.202   6.655
  555    HB3  PHE  70           3HB      PHE  70  11.474 -13.101   7.613
  556    HD1  PHE  70           HD2      PHE  70  14.828 -14.798   7.793
  557    HD2  PHE  70           HD1      PHE  70  12.496 -11.286   8.634
  558    HE1  PHE  70           HE2      PHE  70  16.848 -13.664   8.676
  559    HE2  PHE  70           HE1      PHE  70  14.522 -10.139   9.483
  560    HZ   PHE  70           HZ       PHE  70  16.707 -11.329   9.502
  561    H    TYR  71           H        TYR  71   9.824 -13.923   9.812
  562    HA   TYR  71           HA       TYR  71  11.365 -12.783  11.954
  563    HB2  TYR  71           2HB      TYR  71   9.237 -12.106  12.883
  564    HB3  TYR  71           3HB      TYR  71   9.284 -11.794  11.147
  565    HD1  TYR  71           HD1      TYR  71   7.883 -13.985  13.789
  566    HD2  TYR  71           HD2      TYR  71   7.716 -12.807   9.661
  567    HE1  TYR  71           HE1      TYR  71   5.730 -15.198  13.540
  568    HE2  TYR  71           HE2      TYR  71   5.560 -14.017   9.394
  569    HH   TYR  71           HH       TYR  71   4.024 -15.775  12.112
  570    H    THR  72           H        THR  72   9.466 -15.816  11.610
  571    HA   THR  72           HA       THR  72   9.712 -16.517  14.404
  572    HB   THR  72           HB       THR  72   9.263 -18.307  11.976
  573    HG1  THR  72           1HG      THR  72   7.073 -17.977  12.487
  574   HG21  THR  72          1HG2      THR  72   8.578 -18.642  14.930
  575   HG22  THR  72          2HG2      THR  72   8.090 -19.749  13.626
  576   HG23  THR  72          3HG2      THR  72   9.809 -19.561  14.035
  577    H    TRP  73           H        TRP  73  11.657 -16.971  11.474
  578    HA   TRP  73           HA       TRP  73  13.454 -18.906  12.663
  579    HB2  TRP  73           2HB      TRP  73  13.078 -18.849  10.276
  580    HB3  TRP  73           3HB      TRP  73  13.596 -17.168  10.182
  581    HD1  TRP  73           HD1      TRP  73  14.943 -20.684  10.264
  582    HE1  TRP  73           HE1      TRP  73  17.465 -20.684   9.899
  583    HE3  TRP  73           HE3      TRP  73  15.801 -15.647  10.611
  584    HZ2  TRP  73           HZ2      TRP  73  19.616 -18.753   9.876
  585    HZ3  TRP  73           HZ3      TRP  73  18.101 -14.769  10.438
  586    HH2  TRP  73           HH2      TRP  73  20.012 -16.302  10.099
  587    H    LEU  74           H        LEU  74  13.284 -15.370  12.544
  588    HA   LEU  74           HA       LEU  74  16.074 -15.072  13.375
  589    HB2  LEU  74           2HB      LEU  74  15.025 -13.455  11.842
  590    HB3  LEU  74           3HB      LEU  74  13.795 -13.087  13.053
  591    HG   LEU  74           HG       LEU  74  15.576 -12.266  14.603
  592   HD11  LEU  74          1HD1      LEU  74  17.378 -12.700  12.182
  593   HD12  LEU  74          2HD1      LEU  74  17.833 -11.816  13.661
  594   HD13  LEU  74          3HD1      LEU  74  17.497 -13.557  13.738
  595   HD21  LEU  74          3HD2      LEU  74  16.028 -10.190  13.390
  596   HD22  LEU  74          1HD2      LEU  74  15.567 -10.965  11.856
  597   HD23  LEU  74          2HD2      LEU  74  14.352 -10.724  13.134
  598    H    TYR  75           H        TYR  75  12.805 -14.936  14.855
  599    HA   TYR  75           HA       TYR  75  13.789 -13.861  17.343
  600    HB2  TYR  75           2HB      TYR  75  11.230 -15.327  16.619
  601    HB3  TYR  75           3HB      TYR  75  11.536 -14.601  18.194
  602    HD1  TYR  75           HD1      TYR  75  13.065 -12.092  17.026
  603    HD2  TYR  75           HD2      TYR  75   9.280 -13.969  16.146
  604    HE1  TYR  75           HE1      TYR  75  12.205  -9.951  16.229
  605    HE2  TYR  75           HE2      TYR  75   8.412 -11.802  15.319
  606    HH   TYR  75           HH       TYR  75  10.419  -8.839  15.277
  607    H    ARG  76           H        ARG  76  13.782 -17.121  16.026
  608    HA   ARG  76           HA       ARG  76  14.263 -18.301  18.647
  609    HB2  ARG  76           2HB      ARG  76  14.934 -20.305  17.403
  610    HB3  ARG  76           3HB      ARG  76  13.328 -19.711  16.959
  611    HG2  ARG  76           2HG      ARG  76  14.200 -18.682  14.942
  612    HG3  ARG  76           3HG      ARG  76  15.863 -19.158  15.357
  613    HD2  ARG  76           2HD      ARG  76  13.563 -21.111  15.002
  614    HD3  ARG  76           3HD      ARG  76  14.683 -20.674  13.696
  615    HE   ARG  76           HE       ARG  76  15.212 -22.435  15.968
  616   HH11  ARG  76          1HH1      ARG  76  16.659 -20.391  13.471
  617   HH12  ARG  76          2HH1      ARG  76  18.204 -21.212  13.531
  618   HH21  ARG  76          1HH2      ARG  76  17.244 -23.476  16.030
  619   HH22  ARG  76          2HH2      ARG  76  18.527 -22.957  14.961
  620    H    ILE  77           H        ILE  77  16.245 -16.649  16.215
  621    HA   ILE  77           HA       ILE  77  18.767 -17.616  17.258
  622    HB   ILE  77           HB       ILE  77  18.271 -14.929  15.928
  623   HG12  ILE  77          2HG1      ILE  77  17.331 -16.597  14.429
  624   HG13  ILE  77          3HG1      ILE  77  18.825 -15.927  13.788
  625   HG21  ILE  77          1HG2      ILE  77  20.455 -15.173  16.975
  626   HG22  ILE  77          2HG2      ILE  77  20.710 -16.733  16.171
  627   HG23  ILE  77          3HG2      ILE  77  20.637 -15.237  15.214
  628   HD11  ILE  77          3HD1      ILE  77  20.061 -17.958  14.464
  629   HD12  ILE  77          1HD1      ILE  77  18.564 -18.639  15.156
  630   HD13  ILE  77          2HD1      ILE  77  18.692 -18.352  13.409
  631    H    ALA  78           H        ALA  78  16.579 -14.862  17.997
  632    HA   ALA  78           HA       ALA  78  18.489 -13.483  19.612
  633    HB1  ALA  78           1HB      ALA  78  15.460 -13.262  19.496
  634    HB2  ALA  78           2HB      ALA  78  16.570 -12.070  20.206
  635    HB3  ALA  78           3HB      ALA  78  16.619 -12.397  18.460
  636    H    VAL  79           H        VAL  79  15.824 -15.784  20.438
  637    HA   VAL  79           HA       VAL  79  16.221 -15.303  23.276
  638    HB   VAL  79           HB       VAL  79  14.024 -15.862  22.399
  639   HG11  VAL  79          1HG1      VAL  79  14.746 -17.417  20.576
  640   HG12  VAL  79          2HG1      VAL  79  15.169 -18.623  21.810
  641   HG13  VAL  79          3HG1      VAL  79  13.477 -18.105  21.619
  642   HG21  VAL  79          3HG2      VAL  79  15.099 -18.118  24.145
  643   HG22  VAL  79          1HG2      VAL  79  14.687 -16.494  24.739
  644   HG23  VAL  79          2HG2      VAL  79  13.420 -17.545  24.051
  645    H    ASN  80           H        ASN  80  17.469 -17.619  20.885
  646    HA   ASN  80           HA       ASN  80  18.574 -19.345  22.962
  647    HB2  ASN  80           2HB      ASN  80  18.995 -19.175  19.956
  648    HB3  ASN  80           3HB      ASN  80  19.765 -20.380  20.992
  649   HD21  ASN  80          2HD2      ASN  80  18.198 -21.286  18.932
  650   HD22  ASN  80          1HD2      ASN  80  16.723 -21.967  19.576
  651    H    THR  81           H        THR  81  19.541 -16.360  21.413
  652    HA   THR  81           HA       THR  81  22.369 -16.713  22.094
  653    HB   THR  81           HB       THR  81  20.836 -14.237  21.190
  654    HG1  THR  81           1HG      THR  81  20.800 -15.751  19.599
  655   HG21  THR  81          1HG2      THR  81  23.819 -14.870  21.264
  656   HG22  THR  81          2HG2      THR  81  23.078 -13.430  20.530
  657   HG23  THR  81          3HG2      THR  81  22.989 -13.676  22.287
  658    H    ALA  82           H        ALA  82  19.424 -15.406  23.596
  659    HA   ALA  82           HA       ALA  82  20.857 -13.885  25.610
  660    HB1  ALA  82           1HB      ALA  82  18.636 -13.724  26.656
  661    HB2  ALA  82           2HB      ALA  82  18.529 -13.388  24.915
  662    HB3  ALA  82           3HB      ALA  82  18.004 -14.962  25.549
  663    H    LYS  83           H        LYS  83  19.540 -17.204  25.357
  664    HA   LYS  83           HA       LYS  83  20.209 -17.887  28.098
  665    HB2  LYS  83           2HB      LYS  83  19.655 -19.583  25.630
  666    HB3  LYS  83           3HB      LYS  83  19.778 -20.209  27.291
  667    HG2  LYS  83           2HG      LYS  83  17.860 -18.859  27.989
  668    HG3  LYS  83           3HG      LYS  83  17.773 -18.098  26.391
  669    HD2  LYS  83           2HD      LYS  83  17.357 -20.336  25.366
  670    HD3  LYS  83           3HD      LYS  83  17.372 -21.059  26.991
  671    HE2  LYS  83           2HE      LYS  83  15.490 -19.589  27.647
  672    HE3  LYS  83           3HE      LYS  83  15.474 -18.875  26.029
  673    HZ1  LYS  83           3HZ      LYS  83  14.968 -21.058  25.150
  674    HZ2  LYS  83           1HZ      LYS  83  14.978 -21.714  26.654
  675    HZ3  LYS  83           2HZ      LYS  83  13.832 -20.608  26.251
  676    H    ASN  84           H        ASN  84  21.855 -17.851  24.990
  677    HA   ASN  84           HA       ASN  84  24.147 -19.434  25.766
  678    HB2  ASN  84           2HB      ASN  84  23.496 -19.234  23.447
  679    HB3  ASN  84           3HB      ASN  84  23.510 -17.464  23.545
  680   HD21  ASN  84          2HD2      ASN  84  25.679 -20.256  24.068
  681   HD22  ASN  84          1HD2      ASN  84  27.103 -19.506  23.354
  682    H    TYR  85           H        TYR  85  23.193 -16.035  26.020
  683    HA   TYR  85           HA       TYR  85  25.886 -15.045  26.323
  684    HB2  TYR  85           2HB      TYR  85  24.005 -13.763  25.351
  685    HB3  TYR  85           3HB      TYR  85  23.147 -13.838  26.896
  686    HD1  TYR  85           HD1      TYR  85  26.130 -12.476  25.153
  687    HD2  TYR  85           HD2      TYR  85  23.600 -12.255  28.618
  688    HE1  TYR  85           HE1      TYR  85  27.220 -10.345  25.794
  689    HE2  TYR  85           HE2      TYR  85  24.688 -10.114  29.279
  690    HH   TYR  85           HH       TYR  85  27.307  -8.641  27.327
  691    H    LEU  86           H        LEU  86  23.244 -16.019  28.504
  692    HA   LEU  86           HA       LEU  86  24.592 -14.975  30.871
  693    HB2  LEU  86           2HB      LEU  86  22.179 -16.785  30.496
  694    HB3  LEU  86           3HB      LEU  86  22.740 -16.174  32.055
  695    HG   LEU  86           HG       LEU  86  21.818 -14.428  29.732
  696   HD11  LEU  86          1HD1      LEU  86  20.550 -15.126  32.415
  697   HD12  LEU  86          2HD1      LEU  86  19.905 -13.962  31.231
  698   HD13  LEU  86          3HD1      LEU  86  19.993 -15.689  30.822
  699   HD21  LEU  86          3HD2      LEU  86  22.679 -13.742  32.576
  700   HD22  LEU  86          1HD2      LEU  86  23.495 -13.247  31.074
  701   HD23  LEU  86          2HD2      LEU  86  21.885 -12.616  31.456
  702    H    VAL  87           H        VAL  87  24.645 -18.070  29.125
  703    HA   VAL  87           HA       VAL  87  25.941 -19.350  31.449
  704    HB   VAL  87           HB       VAL  87  26.086 -21.334  30.050
  705   HG11  VAL  87          1HG1      VAL  87  23.344 -20.012  30.007
  706   HG12  VAL  87          2HG1      VAL  87  23.665 -21.751  29.843
  707   HG13  VAL  87          3HG1      VAL  87  24.058 -20.917  31.363
  708   HG21  VAL  87          3HG2      VAL  87  24.991 -21.370  27.824
  709   HG22  VAL  87          1HG2      VAL  87  24.808 -19.604  27.896
  710   HG23  VAL  87          2HG2      VAL  87  26.428 -20.328  27.849
  711    H    ALA  88           H        ALA  88  26.852 -17.600  28.557
  712    HA   ALA  88           HA       ALA  88  29.532 -18.688  28.425
  713    HB1  ALA  88           1HB      ALA  88  28.339 -16.105  27.334
  714    HB2  ALA  88           2HB      ALA  88  29.920 -16.786  26.881
  715    HB3  ALA  88           3HB      ALA  88  28.428 -17.660  26.471
  716    H    GLN  89           H        GLN  89  27.947 -16.497  30.533
  717    HA   GLN  89           HA       GLN  89  30.582 -15.502  31.538
  718    HB2  GLN  89           2HB      GLN  89  27.807 -14.262  31.690
  719    HB3  GLN  89           3HB      GLN  89  29.264 -13.603  32.459
  720    HG2  GLN  89           2HG      GLN  89  30.336 -13.309  30.279
  721    HG3  GLN  89           3HG      GLN  89  28.970 -14.097  29.468
  722   HE21  GLN  89          2HE2      GLN  89  26.875 -13.045  29.458
  723   HE22  GLN  89          1HE2      GLN  89  26.777 -11.307  29.629
  724    H    GLY  90           H        GLY  90  27.706 -17.370  32.240
  725    HA2  GLY  90           2HA      GLY  90  28.054 -17.239  35.139
  726    HA3  GLY  90           3HA      GLY  90  26.918 -18.252  34.222
  727    H    ARG  91           H        ARG  91  29.255 -19.214  32.475
  728    HA   ARG  91           HA       ARG  91  30.034 -21.443  34.195
  729    HB2  ARG  91           2HB      ARG  91  30.541 -20.758  31.281
  730    HB3  ARG  91           3HB      ARG  91  31.185 -22.215  32.073
  731    HG2  ARG  91           2HG      ARG  91  28.950 -22.989  32.627
  732    HG3  ARG  91           3HG      ARG  91  28.228 -21.488  32.043
  733    HD2  ARG  91           2HD      ARG  91  27.955 -23.230  30.368
  734    HD3  ARG  91           3HD      ARG  91  29.039 -21.969  29.755
  735    HE   ARG  91           HE       ARG  91  30.746 -23.849  30.869
  736   HH11  ARG  91          1HH1      ARG  91  28.201 -23.920  28.415
  737   HH12  ARG  91          2HH1      ARG  91  28.922 -25.247  27.535
  738   HH21  ARG  91          1HH2      ARG  91  31.674 -25.574  29.686
  739   HH22  ARG  91          2HH2      ARG  91  30.874 -26.179  28.255
  740    H    ARG  92           H        ARG  92  31.168 -18.367  34.029
  741    HA   ARG  92           HA       ARG  92  34.034 -19.101  34.226
  742    HB2  ARG  92           2HB      ARG  92  32.653 -16.393  34.081
  743    HB3  ARG  92           3HB      ARG  92  34.403 -16.658  34.127
  744    HG2  ARG  92           2HG      ARG  92  34.227 -17.997  32.018
  745    HG3  ARG  92           3HG      ARG  92  32.486 -17.633  31.961
  746    HD2  ARG  92           2HD      ARG  92  33.040 -15.193  31.947
  747    HD3  ARG  92           3HD      ARG  92  34.760 -15.620  31.881
  748    HE   ARG  92           HE       ARG  92  32.882 -16.621  29.792
  749   HH11  ARG  92          1HH1      ARG  92  35.655 -14.598  30.658
  750   HH12  ARG  92          2HH1      ARG  92  36.124 -14.336  28.993
  751   HH21  ARG  92          1HH2      ARG  92  33.529 -16.277  27.650
  752   HH22  ARG  92          2HH2      ARG  92  34.920 -15.276  27.296
  753    H    LEU  93           H        LEU  93  31.419 -18.936  36.276
  754    HA   LEU  93           HA       LEU  93  33.178 -18.404  38.584
  755    HB2  LEU  93           2HB      LEU  93  31.446 -16.938  39.605
  756    HB3  LEU  93           3HB      LEU  93  32.253 -16.272  38.182
  757    HG   LEU  93           HG       LEU  93  30.295 -16.843  36.775
  758   HD11  LEU  93          1HD1      LEU  93  29.014 -17.627  39.428
  759   HD12  LEU  93          2HD1      LEU  93  28.130 -17.344  37.914
  760   HD13  LEU  93          3HD1      LEU  93  29.272 -18.691  38.019
  761   HD21  LEU  93          3HD2      LEU  93  29.685 -15.190  39.258
  762   HD22  LEU  93          1HD2      LEU  93  30.549 -14.621  37.813
  763   HD23  LEU  93          2HD2      LEU  93  28.836 -15.082  37.697
  764    H    GLU  94           H        GLU  94  31.548 -20.667  37.168
  765    HA   GLU  94           HA       GLU  94  30.350 -21.717  39.680
  766    HB2  GLU  94           2HB      GLU  94  28.717 -21.004  37.885
  767    HB3  GLU  94           3HB      GLU  94  29.374 -22.286  36.860
  768    HG2  GLU  94           2HG      GLU  94  27.310 -22.986  37.975
  769    HG3  GLU  94           3HG      GLU  94  28.654 -23.975  38.542
  770    H    LEU  95           H        LEU  95  33.054 -21.896  38.133
  771    HA   LEU  95           HA       LEU  95  34.658 -23.383  37.732
  772    HB2  LEU  95           2HB      LEU  95  34.120 -23.757  40.145
  773    HB3  LEU  95           3HB      LEU  95  33.173 -25.172  39.679
  774    HG   LEU  95           HG       LEU  95  35.209 -26.262  38.796
  775   HD11  LEU  95          1HD1      LEU  95  36.622 -23.713  39.702
  776   HD12  LEU  95          2HD1      LEU  95  37.427 -25.213  39.190
  777   HD13  LEU  95          3HD1      LEU  95  36.470 -24.288  38.023
  778   HD21  LEU  95          3HD2      LEU  95  35.601 -25.071  41.566
  779   HD22  LEU  95          1HD2      LEU  95  34.622 -26.508  41.172
  780   HD23  LEU  95          2HD2      LEU  95  36.381 -26.539  40.931
  781    H    VAL  96           H        VAL  96  32.117 -23.566  36.060
  782    HA   VAL  96           HA       VAL  96  32.091 -26.341  35.173
  783    HB   VAL  96           HB       VAL  96  30.930 -23.814  33.931
  784   HG11  VAL  96          1HG1      VAL  96  29.491 -25.336  32.652
  785   HG12  VAL  96          2HG1      VAL  96  31.193 -25.676  32.285
  786   HG13  VAL  96          3HG1      VAL  96  30.282 -26.743  33.387
  787   HG21  VAL  96          3HG2      VAL  96  29.643 -25.984  35.637
  788   HG22  VAL  96          1HG2      VAL  96  29.981 -24.319  36.160
  789   HG23  VAL  96          2HG2      VAL  96  28.797 -24.615  34.877
  790    HA   PRO  97           HA       PRO  97  35.680 -25.864  32.608
  791    HB2  PRO  97           2HB      PRO  97  35.449 -28.060  30.995
  792    HB3  PRO  97           3HB      PRO  97  35.846 -28.174  32.742
  793    HG2  PRO  97           2HG      PRO  97  33.116 -28.437  31.436
  794    HG3  PRO  97           3HG      PRO  97  33.897 -29.567  32.600
  795    HD2  PRO  97           2HD      PRO  97  32.131 -27.699  33.446
  796    HD3  PRO  97           3HD      PRO  97  33.604 -28.041  34.399
  797    H    ARG  98           H        ARG  98  36.310 -25.497  30.383
  798    HA   ARG  98           HA       ARG  98  36.148 -24.339  28.473
  799    HB2  ARG  98           2HB      ARG  98  35.173 -26.649  27.964
  800    HB3  ARG  98           3HB      ARG  98  33.592 -25.851  27.911
  801    HG2  ARG  98           2HG      ARG  98  34.451 -24.329  26.117
  802    HG3  ARG  98           3HG      ARG  98  36.034 -25.122  26.228
  803    HD2  ARG  98           2HD      ARG  98  34.986 -27.283  25.611
  804    HD3  ARG  98           3HD      ARG  98  33.410 -26.486  25.481
  805    HE   ARG  98           HE       ARG  98  35.631 -26.379  23.577
  806   HH11  ARG  98          1HH1      ARG  98  32.662 -24.786  24.665
  807   HH12  ARG  98          2HH1      ARG  98  32.398 -23.985  23.132
  808   HH21  ARG  98          1HH2      ARG  98  35.255 -25.317  21.596
  809   HH22  ARG  98          2HH2      ARG  98  33.858 -24.285  21.406
  810    H    GLY  99           H        GLY  99  34.677 -23.198  30.878
  811    HA2  GLY  99           2HA      GLY  99  32.477 -21.664  29.779
  812    HA3  GLY  99           3HA      GLY  99  33.290 -21.419  31.339
  813    H    SER 100           H        SER 100  35.900 -21.429  29.541
  814    HA   SER 100           HA       SER 100  35.709 -18.850  28.166
  815    HB2  SER 100           2HB      SER 100  37.507 -17.836  29.527
  816    HB3  SER 100           3HB      SER 100  36.071 -18.163  30.508
  817    HG   SER 100           HG       SER 100  37.984 -18.873  31.537
  818    H    HIS 101           H        HIS 101  37.986 -18.284  27.285
  819    HA   HIS 101           HA       HIS 101  39.667 -20.680  26.856
  820    HB2  HIS 101           2HB      HIS 101  37.930 -20.566  25.045
  821    HB3  HIS 101           3HB      HIS 101  38.580 -18.988  24.581
  822    HD2  HIS 101           HD2      HIS 101  39.425 -19.790  22.190
  823    HE1  HIS 101           HE1      HIS 101  42.278 -22.662  23.495
  824    HE2  HIS 101           HE2      HIS 101  41.385 -21.378  21.482
  825    H    HIS 102           H        HIS 102  41.780 -20.140  25.961
  826    HA   HIS 102           HA       HIS 102  42.570 -17.303  26.334
  827    HB2  HIS 102           2HB      HIS 102  43.931 -19.683  27.647
  828    HB3  HIS 102           3HB      HIS 102  44.467 -18.001  27.729
  829    HD2  HIS 102           HD2      HIS 102  42.803 -16.258  29.111
  830    HE1  HIS 102           HE1      HIS 102  40.811 -19.301  31.313
  831    HE2  HIS 102           HE2      HIS 102  41.243 -16.796  31.142
  832    H    HIS 103           H        HIS 103  42.257 -19.295  24.024
  833    HA   HIS 103           HA       HIS 103  43.325 -19.932  22.152
  834    HB2  HIS 103           2HB      HIS 103  43.541 -17.456  22.040
  835    HB3  HIS 103           3HB      HIS 103  45.178 -17.599  22.696
  836    HD2  HIS 103           HD2      HIS 103  46.893 -17.361  20.785
  837    HE1  HIS 103           HE1      HIS 103  44.856 -19.437  17.681
  838    HE2  HIS 103           HE2      HIS 103  46.988 -18.185  18.300
  839    H    HIS 104           H        HIS 104  44.262 -21.042  24.776
  840    HA   HIS 104           HA       HIS 104  47.090 -21.604  24.442
  841    HB2  HIS 104           2HB      HIS 104  46.737 -23.074  26.381
  842    HB3  HIS 104           3HB      HIS 104  46.059 -21.466  26.651
  843    HD2  HIS 104           HD2      HIS 104  45.012 -25.136  26.154
  844    HE1  HIS 104           HE1      HIS 104  41.490 -22.996  27.202
  845    HE2  HIS 104           HE2      HIS 104  42.482 -25.310  26.804
  846    H    HIS 105           H        HIS 105  47.871 -23.908  24.419
  847    HA   HIS 105           HA       HIS 105  46.195 -25.794  22.896
  848    HB2  HIS 105           2HB      HIS 105  47.876 -26.065  21.148
  849    HB3  HIS 105           3HB      HIS 105  47.261 -24.408  21.171
  850    HD2  HIS 105           HD2      HIS 105  48.947 -22.447  21.934
  851    HE1  HIS 105           HE1      HIS 105  52.482 -24.806  22.038
  852    HE2  HIS 105           HE2      HIS 105  51.562 -22.436  22.107
  853    H    HIS 106           H        HIS 106  47.380 -27.912  22.608
  854    HA   HIS 106           HA       HIS 106  49.418 -28.428  24.701
  855    HB2  HIS 106           2HB      HIS 106  46.792 -29.929  24.369
  856    HB3  HIS 106           3HB      HIS 106  48.128 -30.425  25.413
  857    HD2  HIS 106           HD2      HIS 106  48.789 -28.537  27.432
  858    HE1  HIS 106           HE1      HIS 106  44.807 -27.074  27.711
  859    HE2  HIS 106           HE2      HIS 106  47.080 -27.156  28.859
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   4.218  -7.921  -2.358
    2    H2   MET   1           H2       MET   1   3.190  -8.650  -3.410
    3    H3   MET   1           H3       MET   1   2.681  -8.287  -1.886
    4    HA   MET   1           HA       MET   1   1.765  -6.755  -3.460
    5    HB2  MET   1           2HB      MET   1   2.339  -6.064  -1.115
    6    HB3  MET   1           3HB      MET   1   3.881  -5.434  -1.714
    7    HG2  MET   1           2HG      MET   1   2.655  -3.885  -3.205
    8    HG3  MET   1           3HG      MET   1   1.118  -4.567  -2.656
    9    HE1  MET   1           1HE      MET   1   1.038  -0.954  -1.189
   10    HE2  MET   1           2HE      MET   1   1.708  -1.491  -2.749
   11    HE3  MET   1           3HE      MET   1   0.178  -2.177  -2.145
   12    H    SER   2           H        SER   2   2.114  -5.068  -5.044
   13    HA   SER   2           HA       SER   2   4.399  -5.656  -6.764
   14    HB2  SER   2           2HB      SER   2   3.204  -4.190  -8.359
   15    HB3  SER   2           3HB      SER   2   2.172  -5.486  -7.719
   16    HG   SER   2           HG       SER   2   1.139  -3.427  -7.683
   17    H    GLU   3           H        GLU   3   4.236  -3.774  -4.104
   18    HA   GLU   3           HA       GLU   3   6.273  -1.908  -5.135
   19    HB2  GLU   3           2HB      GLU   3   3.957  -0.851  -5.335
   20    HB3  GLU   3           3HB      GLU   3   3.858  -0.928  -3.566
   21    HG2  GLU   3           2HG      GLU   3   5.884   0.485  -3.395
   22    HG3  GLU   3           3HG      GLU   3   6.030   0.496  -5.162
   23    H    GLN   4           H        GLN   4   7.405  -0.820  -3.322
   24    HA   GLN   4           HA       GLN   4   8.691  -0.953  -1.481
   25    HB2  GLN   4           2HB      GLN   4   6.270  -2.132  -0.101
   26    HB3  GLN   4           3HB      GLN   4   7.640  -1.296   0.647
   27    HG2  GLN   4           2HG      GLN   4   7.034   0.783  -0.612
   28    HG3  GLN   4           3HG      GLN   4   5.617  -0.055  -1.264
   29   HE21  GLN   4          2HE2      GLN   4   4.790   2.057  -0.106
   30   HE22  GLN   4          1HE2      GLN   4   4.228   1.809   1.536
   31    H    LEU   5           H        LEU   5   9.330  -2.520   0.479
   32    HA   LEU   5           HA       LEU   5   9.764  -5.213  -0.727
   33    HB2  LEU   5           2HB      LEU   5  11.809  -3.494   0.708
   34    HB3  LEU   5           3HB      LEU   5  12.087  -5.095   0.004
   35    HG   LEU   5           HG       LEU   5  11.317  -2.597  -1.562
   36   HD11  LEU   5          1HD1      LEU   5  13.954  -4.117  -1.331
   37   HD12  LEU   5          2HD1      LEU   5  13.655  -2.706  -2.374
   38   HD13  LEU   5          3HD1      LEU   5  13.611  -2.527  -0.602
   39   HD21  LEU   5          3HD2      LEU   5  10.589  -4.742  -2.651
   40   HD22  LEU   5          1HD2      LEU   5  11.870  -3.908  -3.553
   41   HD23  LEU   5          2HD2      LEU   5  12.268  -5.320  -2.556
   42    H    THR   6           H        THR   6  10.277  -6.886   0.777
   43    HA   THR   6           HA       THR   6   9.524  -6.413   3.610
   44    HB   THR   6           HB       THR   6   8.274  -8.553   1.836
   45    HG1  THR   6           1HG      THR   6   7.531  -6.477   1.315
   46   HG21  THR   6          1HG2      THR   6   7.794  -7.664   4.705
   47   HG22  THR   6          2HG2      THR   6   6.635  -8.647   3.782
   48   HG23  THR   6          3HG2      THR   6   8.251  -9.288   4.129
   49    H    ASP   7           H        ASP   7   9.868  -8.665   4.816
   50    HA   ASP   7           HA       ASP   7  12.599  -9.281   4.651
   51    HB2  ASP   7           2HB      ASP   7  12.102 -11.096   6.186
   52    HB3  ASP   7           3HB      ASP   7  11.210  -9.638   6.629
   53    H    GLN   8           H        GLN   8  10.005 -10.454   2.649
   54    HA   GLN   8           HA       GLN   8  11.091 -12.973   1.889
   55    HB2  GLN   8           2HB      GLN   8   8.794 -12.314   1.345
   56    HB3  GLN   8           3HB      GLN   8   9.383 -10.940   0.393
   57    HG2  GLN   8           2HG      GLN   8   8.704 -12.746  -1.089
   58    HG3  GLN   8           3HG      GLN   8  10.449 -12.491  -1.209
   59   HE21  GLN   8          2HE2      GLN   8  11.901 -14.040  -0.150
   60   HE22  GLN   8          1HE2      GLN   8  11.324 -15.652   0.234
   61    H    VAL   9           H        VAL   9  11.392  -9.716   0.396
   62    HA   VAL   9           HA       VAL   9  13.419 -10.704  -1.483
   63    HB   VAL   9           HB       VAL   9  11.770  -9.254  -2.390
   64   HG11  VAL   9          1HG1      VAL   9  12.462  -7.260  -0.202
   65   HG12  VAL   9          2HG1      VAL   9  11.337  -6.983  -1.550
   66   HG13  VAL   9          3HG1      VAL   9  10.952  -8.205  -0.337
   67   HG21  VAL   9          3HG2      VAL   9  14.227  -7.508  -1.938
   68   HG22  VAL   9          1HG2      VAL   9  14.124  -8.816  -3.141
   69   HG23  VAL   9          2HG2      VAL   9  13.065  -7.394  -3.271
   70    H    LEU  10           H        LEU  10  13.293  -8.930   1.568
   71    HA   LEU  10           HA       LEU  10  15.954  -7.830   1.359
   72    HB2  LEU  10           2HB      LEU  10  13.839  -8.125   3.447
   73    HB3  LEU  10           3HB      LEU  10  15.510  -7.966   4.019
   74    HG   LEU  10           HG       LEU  10  15.819  -5.899   2.824
   75   HD11  LEU  10          1HD1      LEU  10  12.946  -6.219   1.871
   76   HD12  LEU  10          2HD1      LEU  10  13.960  -4.774   1.651
   77   HD13  LEU  10          3HD1      LEU  10  14.409  -6.286   0.850
   78   HD21  LEU  10          3HD2      LEU  10  13.187  -5.935   4.359
   79   HD22  LEU  10          1HD2      LEU  10  14.814  -5.807   5.075
   80   HD23  LEU  10          2HD2      LEU  10  14.187  -4.495   4.053
   81    H    VAL  11           H        VAL  11  14.676 -11.014   2.368
   82    HA   VAL  11           HA       VAL  11  17.306 -11.742   3.452
   83    HB   VAL  11           HB       VAL  11  14.763 -13.322   3.005
   84   HG11  VAL  11          1HG1      VAL  11  17.461 -14.214   4.119
   85   HG12  VAL  11          2HG1      VAL  11  15.937 -15.123   4.285
   86   HG13  VAL  11          3HG1      VAL  11  16.642 -14.860   2.682
   87   HG21  VAL  11          3HG2      VAL  11  14.854 -11.670   4.900
   88   HG22  VAL  11          1HG2      VAL  11  14.781 -13.351   5.474
   89   HG23  VAL  11          2HG2      VAL  11  16.328 -12.469   5.488
   90    H    GLU  12           H        GLU  12  15.520 -12.056   0.361
   91    HA   GLU  12           HA       GLU  12  17.398 -13.924  -0.773
   92    HB2  GLU  12           2HB      GLU  12  15.514 -11.876  -2.006
   93    HB3  GLU  12           3HB      GLU  12  16.511 -12.987  -2.962
   94    HG2  GLU  12           2HG      GLU  12  15.479 -14.923  -1.833
   95    HG3  GLU  12           3HG      GLU  12  14.449 -13.845  -0.893
   96    H    ARG  13           H        ARG  13  17.241 -10.342  -0.605
   97    HA   ARG  13           HA       ARG  13  19.388  -9.925  -2.465
   98    HB2  ARG  13           2HB      ARG  13  17.595  -8.304  -2.019
   99    HB3  ARG  13           3HB      ARG  13  18.182  -8.085  -0.358
  100    HG2  ARG  13           2HG      ARG  13  20.234  -7.126  -1.137
  101    HG3  ARG  13           3HG      ARG  13  19.916  -7.637  -2.816
  102    HD2  ARG  13           2HD      ARG  13  17.893  -6.138  -2.805
  103    HD3  ARG  13           3HD      ARG  13  18.416  -5.521  -1.227
  104    HE   ARG  13           HE       ARG  13  20.611  -5.326  -3.006
  105   HH11  ARG  13          1HH1      ARG  13  17.409  -3.884  -2.560
  106   HH12  ARG  13          2HH1      ARG  13  17.842  -2.402  -3.382
  107   HH21  ARG  13          1HH2      ARG  13  21.119  -3.443  -4.113
  108   HH22  ARG  13          2HH2      ARG  13  19.952  -2.144  -4.254
  109    H    VAL  14           H        VAL  14  19.336 -10.212   1.124
  110    HA   VAL  14           HA       VAL  14  22.121  -9.457   1.339
  111    HB   VAL  14           HB       VAL  14  21.991 -10.377   3.604
  112   HG11  VAL  14          1HG1      VAL  14  21.222  -8.121   3.250
  113   HG12  VAL  14          2HG1      VAL  14  19.628  -8.683   2.709
  114   HG13  VAL  14          3HG1      VAL  14  20.106  -8.923   4.400
  115   HG21  VAL  14          3HG2      VAL  14  19.842 -11.212   4.455
  116   HG22  VAL  14          1HG2      VAL  14  19.211 -11.274   2.789
  117   HG23  VAL  14          2HG2      VAL  14  20.576 -12.319   3.276
  118    H    GLN  15           H        GLN  15  20.452 -12.420   0.447
  119    HA   GLN  15           HA       GLN  15  22.849 -14.058   0.763
  120    HB2  GLN  15           2HB      GLN  15  20.182 -14.539  -0.607
  121    HB3  GLN  15           3HB      GLN  15  21.478 -15.744  -0.491
  122    HG2  GLN  15           2HG      GLN  15  21.370 -15.679   1.967
  123    HG3  GLN  15           3HG      GLN  15  20.147 -14.417   1.915
  124   HE21  GLN  15          2HE2      GLN  15  19.399 -16.582   3.335
  125   HE22  GLN  15          1HE2      GLN  15  18.250 -17.549   2.440
  126    H    LYS  16           H        LYS  16  21.668 -11.780  -1.593
  127    HA   LYS  16           HA       LYS  16  23.320 -12.822  -3.766
  128    HB2  LYS  16           2HB      LYS  16  22.040 -10.082  -3.412
  129    HB3  LYS  16           3HB      LYS  16  22.738 -10.726  -4.895
  130    HG2  LYS  16           2HG      LYS  16  20.226 -11.645  -3.482
  131    HG3  LYS  16           3HG      LYS  16  20.364 -10.890  -5.070
  132    HD2  LYS  16           2HD      LYS  16  21.556 -12.896  -5.924
  133    HD3  LYS  16           3HD      LYS  16  21.402 -13.660  -4.319
  134    HE2  LYS  16           2HE      LYS  16  18.938 -13.470  -4.466
  135    HE3  LYS  16           3HE      LYS  16  19.090 -12.737  -6.071
  136    HZ1  LYS  16           3HZ      LYS  16  20.141 -14.770  -6.821
  137    HZ2  LYS  16           1HZ      LYS  16  19.983 -15.446  -5.333
  138    HZ3  LYS  16           2HZ      LYS  16  18.643 -15.082  -6.217
  139    H    GLY  17           H        GLY  17  23.968 -11.253  -0.847
  140    HA2  GLY  17           2HA      GLY  17  26.237 -10.916  -0.181
  141    HA3  GLY  17           3HA      GLY  17  26.656 -10.440  -1.834
  142    H    ASP  18           H        ASP  18  23.704  -8.973  -1.101
  143    HA   ASP  18           HA       ASP  18  25.012  -6.383  -0.631
  144    HB2  ASP  18           2HB      ASP  18  22.242  -7.357  -1.305
  145    HB3  ASP  18           3HB      ASP  18  22.459  -5.722  -0.703
  146    H    GLN  19           H        GLN  19  25.870  -6.795   1.487
  147    HA   GLN  19           HA       GLN  19  24.266  -7.595   3.693
  148    HB2  GLN  19           2HB      GLN  19  26.782  -7.599   3.424
  149    HB3  GLN  19           3HB      GLN  19  26.773  -5.859   3.692
  150    HG2  GLN  19           2HG      GLN  19  25.615  -7.863   5.681
  151    HG3  GLN  19           3HG      GLN  19  27.316  -7.393   5.676
  152   HE21  GLN  19          2HE2      GLN  19  27.474  -4.759   5.395
  153   HE22  GLN  19          1HE2      GLN  19  26.560  -3.914   6.632
  154    H    LYS  20           H        LYS  20  24.534  -4.568   1.978
  155    HA   LYS  20           HA       LYS  20  23.685  -2.756   4.001
  156    HB2  LYS  20           2HB      LYS  20  23.064  -1.342   2.068
  157    HB3  LYS  20           3HB      LYS  20  24.661  -2.077   1.858
  158    HG2  LYS  20           2HG      LYS  20  23.584  -3.889   0.463
  159    HG3  LYS  20           3HG      LYS  20  22.050  -2.993   0.568
  160    HD2  LYS  20           2HD      LYS  20  23.132  -1.038  -0.489
  161    HD3  LYS  20           3HD      LYS  20  24.669  -1.938  -0.569
  162    HE2  LYS  20           2HE      LYS  20  23.553  -3.663  -1.970
  163    HE3  LYS  20           3HE      LYS  20  22.059  -2.716  -1.929
  164    HZ1  LYS  20           3HZ      LYS  20  24.637  -1.791  -3.024
  165    HZ2  LYS  20           1HZ      LYS  20  23.365  -2.305  -3.922
  166    HZ3  LYS  20           2HZ      LYS  20  23.236  -0.935  -3.023
  167    H    ALA  21           H        ALA  21  21.922  -5.214   2.177
  168    HA   ALA  21           HA       ALA  21  19.337  -4.017   2.821
  169    HB1  ALA  21           1HB      ALA  21  18.434  -6.074   1.785
  170    HB2  ALA  21           2HB      ALA  21  19.624  -5.267   0.735
  171    HB3  ALA  21           3HB      ALA  21  20.089  -6.722   1.647
  172    H    PHE  22           H        PHE  22  21.641  -6.124   4.397
  173    HA   PHE  22           HA       PHE  22  19.673  -7.390   6.132
  174    HB2  PHE  22           2HB      PHE  22  21.848  -8.448   5.569
  175    HB3  PHE  22           3HB      PHE  22  22.691  -7.140   6.386
  176    HD1  PHE  22           HD1      PHE  22  19.946  -9.640   7.014
  177    HD2  PHE  22           HD2      PHE  22  23.284  -7.458   8.632
  178    HE1  PHE  22           HE1      PHE  22  19.712 -10.868   9.136
  179    HE2  PHE  22           HE2      PHE  22  23.037  -8.681  10.777
  180    HZ   PHE  22           HZ       PHE  22  21.256 -10.392  11.033
  181    H    ASN  23           H        ASN  23  21.813  -4.529   6.200
  182    HA   ASN  23           HA       ASN  23  21.404  -3.811   8.927
  183    HB2  ASN  23           2HB      ASN  23  23.159  -2.784   7.659
  184    HB3  ASN  23           3HB      ASN  23  22.041  -2.328   6.365
  185   HD21  ASN  23          2HD2      ASN  23  20.979  -0.414   6.417
  186   HD22  ASN  23          1HD2      ASN  23  21.089   0.737   7.731
  187    H    LEU  24           H        LEU  24  19.615  -3.078   5.922
  188    HA   LEU  24           HA       LEU  24  17.630  -1.443   7.260
  189    HB2  LEU  24           2HB      LEU  24  17.668  -2.821   4.546
  190    HB3  LEU  24           3HB      LEU  24  16.461  -1.629   5.050
  191    HG   LEU  24           HG       LEU  24  19.460  -1.090   4.860
  192   HD11  LEU  24          1HD1      LEU  24  17.171  -0.329   3.007
  193   HD12  LEU  24          2HD1      LEU  24  18.867   0.196   2.846
  194   HD13  LEU  24          3HD1      LEU  24  18.454  -1.522   2.668
  195   HD21  LEU  24          3HD2      LEU  24  18.760   1.287   5.040
  196   HD22  LEU  24          1HD2      LEU  24  17.080   0.767   5.288
  197   HD23  LEU  24          2HD2      LEU  24  18.327   0.370   6.496
  198    H    LEU  25           H        LEU  25  18.098  -4.871   6.857
  199    HA   LEU  25           HA       LEU  25  15.272  -5.515   7.289
  200    HB2  LEU  25           2HB      LEU  25  16.646  -6.929   5.849
  201    HB3  LEU  25           3HB      LEU  25  17.799  -7.206   7.162
  202    HG   LEU  25           HG       LEU  25  16.054  -8.387   8.465
  203   HD11  LEU  25          1HD1      LEU  25  13.933  -9.016   7.378
  204   HD12  LEU  25          2HD1      LEU  25  14.040  -7.256   7.602
  205   HD13  LEU  25          3HD1      LEU  25  14.324  -7.974   5.994
  206   HD21  LEU  25          3HD2      LEU  25  17.519  -9.643   6.956
  207   HD22  LEU  25          1HD2      LEU  25  15.894 -10.361   6.973
  208   HD23  LEU  25          2HD2      LEU  25  16.407  -9.359   5.596
  209    H    VAL  26           H        VAL  26  18.328  -5.668   9.262
  210    HA   VAL  26           HA       VAL  26  16.930  -6.887  11.443
  211    HB   VAL  26           HB       VAL  26  18.844  -6.411  12.805
  212   HG11  VAL  26          1HG1      VAL  26  19.001  -8.282  11.213
  213   HG12  VAL  26          2HG1      VAL  26  19.722  -7.201   9.999
  214   HG13  VAL  26          3HG1      VAL  26  20.587  -7.529  11.505
  215   HG21  VAL  26          3HG2      VAL  26  19.338  -4.129  12.178
  216   HG22  VAL  26          1HG2      VAL  26  20.780  -5.139  11.967
  217   HG23  VAL  26          2HG2      VAL  26  19.833  -4.646  10.541
  218    H    VAL  27           H        VAL  27  17.182  -3.497  10.412
  219    HA   VAL  27           HA       VAL  27  16.635  -2.469  13.047
  220    HB   VAL  27           HB       VAL  27  17.733  -1.166  11.285
  221   HG11  VAL  27          1HG1      VAL  27  14.976  -1.080   9.990
  222   HG12  VAL  27          2HG1      VAL  27  16.390  -0.128   9.492
  223   HG13  VAL  27          3HG1      VAL  27  16.420  -1.903   9.347
  224   HG21  VAL  27          3HG2      VAL  27  16.604  -0.052  13.185
  225   HG22  VAL  27          1HG2      VAL  27  16.577   0.945  11.713
  226   HG23  VAL  27          2HG2      VAL  27  15.113   0.074  12.220
  227    H    ARG  28           H        ARG  28  14.580  -3.763  10.465
  228    HA   ARG  28           HA       ARG  28  12.092  -2.705  11.479
  229    HB2  ARG  28           2HB      ARG  28  12.547  -5.334  10.011
  230    HB3  ARG  28           3HB      ARG  28  11.060  -4.370  10.074
  231    HG2  ARG  28           2HG      ARG  28  12.248  -2.545   8.824
  232    HG3  ARG  28           3HG      ARG  28  13.686  -3.595   8.750
  233    HD2  ARG  28           2HD      ARG  28  12.543  -3.804   6.659
  234    HD3  ARG  28           3HD      ARG  28  12.330  -5.318   7.551
  235    HE   ARG  28           HE       ARG  28  10.072  -4.072   8.255
  236   HH11  ARG  28          1HH1      ARG  28  11.611  -4.221   5.070
  237   HH12  ARG  28          2HH1      ARG  28  10.097  -4.103   4.207
  238   HH21  ARG  28          1HH2      ARG  28   8.120  -3.925   7.099
  239   HH22  ARG  28          2HH2      ARG  28   8.131  -3.933   5.348
  240    H    TYR  29           H        TYR  29  14.165  -5.450  12.247
  241    HA   TYR  29           HA       TYR  29  12.149  -6.497  14.147
  242    HB2  TYR  29           2HB      TYR  29  14.657  -7.670  12.930
  243    HB3  TYR  29           3HB      TYR  29  13.718  -8.456  14.206
  244    HD1  TYR  29           HD1      TYR  29  13.564  -7.221  10.693
  245    HD2  TYR  29           HD2      TYR  29  11.687  -9.598  13.738
  246    HE1  TYR  29           HE1      TYR  29  11.982  -8.095   9.009
  247    HE2  TYR  29           HE2      TYR  29  10.111 -10.517  12.059
  248    HH   TYR  29           HH       TYR  29  10.194  -9.493   8.620
  249    H    GLN  30           H        GLN  30  14.834  -4.418  14.199
  250    HA   GLN  30           HA       GLN  30  16.205  -5.305  16.518
  251    HB2  GLN  30           2HB      GLN  30  17.028  -3.678  14.835
  252    HB3  GLN  30           3HB      GLN  30  15.855  -2.489  15.416
  253    HG2  GLN  30           2HG      GLN  30  16.954  -2.465  17.619
  254    HG3  GLN  30           3HG      GLN  30  18.054  -3.760  17.099
  255   HE21  GLN  30          2HE2      GLN  30  19.225  -3.232  14.915
  256   HE22  GLN  30          1HE2      GLN  30  19.890  -1.612  14.797
  257    H    HIS  31           H        HIS  31  13.206  -3.474  16.099
  258    HA   HIS  31           HA       HIS  31  13.037  -2.872  18.971
  259    HB2  HIS  31           2HB      HIS  31  12.158  -1.329  17.235
  260    HB3  HIS  31           3HB      HIS  31  11.005  -2.571  16.731
  261    HD2  HIS  31           HD2      HIS  31   8.731  -2.664  18.002
  262    HE1  HIS  31           HE1      HIS  31   9.646  -0.058  21.234
  263    HE2  HIS  31           HE2      HIS  31   7.800  -1.400  20.096
  264    H    LYS  32           H        LYS  32  11.921  -5.336  16.672
  265    HA   LYS  32           HA       LYS  32   9.866  -6.369  18.440
  266    HB2  LYS  32           2HB      LYS  32  11.183  -7.598  15.988
  267    HB3  LYS  32           3HB      LYS  32   9.688  -8.157  16.773
  268    HG2  LYS  32           2HG      LYS  32   8.623  -5.972  16.293
  269    HG3  LYS  32           3HG      LYS  32  10.099  -5.434  15.463
  270    HD2  LYS  32           2HD      LYS  32   9.889  -7.333  13.869
  271    HD3  LYS  32           3HD      LYS  32   8.389  -7.840  14.680
  272    HE2  LYS  32           2HE      LYS  32   7.368  -5.650  14.159
  273    HE3  LYS  32           3HE      LYS  32   8.858  -5.139  13.350
  274    HZ1  LYS  32           3HZ      LYS  32   7.245  -5.945  11.787
  275    HZ2  LYS  32           1HZ      LYS  32   8.547  -6.950  11.791
  276    HZ3  LYS  32           2HZ      LYS  32   7.153  -7.400  12.540
  277    H    VAL  33           H        VAL  33  13.251  -7.387  17.657
  278    HA   VAL  33           HA       VAL  33  12.929  -9.722  19.377
  279    HB   VAL  33           HB       VAL  33  15.167 -10.285  18.834
  280   HG11  VAL  33          1HG1      VAL  33  15.036 -10.408  16.385
  281   HG12  VAL  33          2HG1      VAL  33  13.448 -10.710  17.121
  282   HG13  VAL  33          3HG1      VAL  33  13.798  -9.135  16.370
  283   HG21  VAL  33          3HG2      VAL  33  16.616  -8.862  17.434
  284   HG22  VAL  33          1HG2      VAL  33  15.441  -7.528  17.582
  285   HG23  VAL  33          2HG2      VAL  33  16.290  -8.148  19.020
  286    H    ALA  34           H        ALA  34  14.118  -6.407  19.735
  287    HA   ALA  34           HA       ALA  34  15.582  -6.938  22.155
  288    HB1  ALA  34           1HB      ALA  34  14.313  -4.355  21.160
  289    HB2  ALA  34           2HB      ALA  34  15.517  -4.505  22.461
  290    HB3  ALA  34           3HB      ALA  34  15.964  -4.926  20.796
  291    H    SER  35           H        SER  35  12.187  -6.620  21.362
  292    HA   SER  35           HA       SER  35  11.312  -5.909  24.037
  293    HB2  SER  35           2HB      SER  35  10.047  -5.390  21.961
  294    HB3  SER  35           3HB      SER  35   9.795  -7.135  21.700
  295    HG   SER  35           HG       SER  35   8.043  -6.101  22.799
  296    H    LEU  36           H        LEU  36  11.544  -8.937  22.108
  297    HA   LEU  36           HA       LEU  36  10.385 -10.475  24.299
  298    HB2  LEU  36           2HB      LEU  36  10.595 -12.381  22.857
  299    HB3  LEU  36           3HB      LEU  36   9.935 -11.014  21.959
  300    HG   LEU  36           HG       LEU  36  12.409 -10.619  21.189
  301   HD11  LEU  36          1HD1      LEU  36  12.490 -13.595  21.878
  302   HD12  LEU  36          2HD1      LEU  36  13.697 -12.702  20.922
  303   HD13  LEU  36          3HD1      LEU  36  13.503 -12.351  22.646
  304   HD21  LEU  36          3HD2      LEU  36  10.768 -13.003  20.258
  305   HD22  LEU  36          1HD2      LEU  36  10.524 -11.317  19.752
  306   HD23  LEU  36          2HD2      LEU  36  12.021 -12.172  19.303
  307    H    VAL  37           H        VAL  37  13.626  -9.560  23.313
  308    HA   VAL  37           HA       VAL  37  14.799 -11.723  24.908
  309    HB   VAL  37           HB       VAL  37  15.696 -10.886  22.686
  310   HG11  VAL  37          1HG1      VAL  37  15.569  -8.419  23.526
  311   HG12  VAL  37          2HG1      VAL  37  17.085  -8.807  24.373
  312   HG13  VAL  37          3HG1      VAL  37  17.011  -8.931  22.603
  313   HG21  VAL  37          3HG2      VAL  37  17.606 -10.974  25.049
  314   HG22  VAL  37          1HG2      VAL  37  16.926 -12.388  24.209
  315   HG23  VAL  37          2HG2      VAL  37  18.009 -11.275  23.345
  316    H    SER  38           H        SER  38  13.812  -8.397  25.383
  317    HA   SER  38           HA       SER  38  15.396  -7.762  27.669
  318    HB2  SER  38           2HB      SER  38  12.610  -7.028  26.728
  319    HB3  SER  38           3HB      SER  38  13.290  -6.396  28.249
  320    HG   SER  38           HG       SER  38  14.223  -6.016  25.614
  321    H    ARG  39           H        ARG  39  13.038 -10.203  27.105
  322    HA   ARG  39           HA       ARG  39  12.186 -10.438  29.904
  323    HB2  ARG  39           2HB      ARG  39  11.544 -12.225  27.538
  324    HB3  ARG  39           3HB      ARG  39  10.694 -12.143  29.090
  325    HG2  ARG  39           2HG      ARG  39  10.018  -9.804  28.606
  326    HG3  ARG  39           3HG      ARG  39  10.891  -9.873  27.062
  327    HD2  ARG  39           2HD      ARG  39   9.449 -11.801  26.382
  328    HD3  ARG  39           3HD      ARG  39   8.502 -11.559  27.870
  329    HE   ARG  39           HE       ARG  39   8.706  -9.095  26.419
  330   HH11  ARG  39          1HH1      ARG  39   7.091 -12.237  26.286
  331   HH12  ARG  39          2HH1      ARG  39   5.721 -11.618  25.385
  332   HH21  ARG  39          1HH2      ARG  39   6.913  -8.327  25.244
  333   HH22  ARG  39          2HH2      ARG  39   5.621  -9.415  24.804
  334    H    TYR  40           H        TYR  40  14.924 -11.362  28.198
  335    HA   TYR  40           HA       TYR  40  15.310 -13.758  29.945
  336    HB2  TYR  40           2HB      TYR  40  16.290 -13.276  27.118
  337    HB3  TYR  40           3HB      TYR  40  16.768 -14.632  28.139
  338    HD1  TYR  40           HD1      TYR  40  15.131 -16.395  28.755
  339    HD2  TYR  40           HD2      TYR  40  14.153 -13.242  25.999
  340    HE1  TYR  40           HE1      TYR  40  13.143 -17.676  27.996
  341    HE2  TYR  40           HE2      TYR  40  12.194 -14.525  25.207
  342    HH   TYR  40           HH       TYR  40  11.330 -17.724  26.592
  343    H    VAL  41           H        VAL  41  16.521 -10.637  28.934
  344    HA   VAL  41           HA       VAL  41  18.713 -10.958  30.890
  345    HB   VAL  41           HB       VAL  41  20.194  -9.594  29.324
  346   HG11  VAL  41          1HG1      VAL  41  20.984 -11.553  28.093
  347   HG12  VAL  41          2HG1      VAL  41  20.586 -11.977  29.773
  348   HG13  VAL  41          3HG1      VAL  41  19.471 -12.416  28.462
  349   HG21  VAL  41          3HG2      VAL  41  18.280 -10.621  27.196
  350   HG22  VAL  41          1HG2      VAL  41  18.399  -8.924  27.725
  351   HG23  VAL  41          2HG2      VAL  41  19.780  -9.715  26.936
  352    HA   PRO  42           HA       PRO  42  17.287  -7.024  32.227
  353    HB2  PRO  42           2HB      PRO  42  19.518  -5.912  33.338
  354    HB3  PRO  42           3HB      PRO  42  18.712  -7.345  34.045
  355    HG2  PRO  42           2HG      PRO  42  21.082  -7.301  32.140
  356    HG3  PRO  42           3HG      PRO  42  20.961  -8.151  33.719
  357    HD2  PRO  42           2HD      PRO  42  20.482  -9.446  31.400
  358    HD3  PRO  42           3HD      PRO  42  19.438  -9.748  32.823
  359    H    SER  43           H        SER  43  17.613  -4.647  31.939
  360    HA   SER  43           HA       SER  43  17.902  -4.089  29.156
  361    HB2  SER  43           2HB      SER  43  17.461  -1.758  29.853
  362    HB3  SER  43           3HB      SER  43  16.332  -2.910  30.594
  363    HG   SER  43           HG       SER  43  17.171  -1.409  32.105
  364    H    GLY  44           H        GLY  44  20.329  -4.337  31.575
  365    HA2  GLY  44           2HA      GLY  44  22.119  -2.351  30.352
  366    HA3  GLY  44           3HA      GLY  44  22.468  -3.432  31.717
  367    H    ASP  45           H        ASP  45  21.329  -5.728  29.937
  368    HA   ASP  45           HA       ASP  45  23.817  -6.138  28.341
  369    HB2  ASP  45           2HB      ASP  45  22.100  -8.090  29.910
  370    HB3  ASP  45           3HB      ASP  45  23.374  -8.571  28.784
  371    H    VAL  46           H        VAL  46  20.498  -5.560  28.095
  372    HA   VAL  46           HA       VAL  46  19.806  -7.504  26.129
  373    HB   VAL  46           HB       VAL  46  18.246  -6.196  27.604
  374   HG11  VAL  46          1HG1      VAL  46  17.314  -4.127  26.726
  375   HG12  VAL  46          2HG1      VAL  46  19.017  -3.904  27.172
  376   HG13  VAL  46          3HG1      VAL  46  18.550  -4.070  25.453
  377   HG21  VAL  46          3HG2      VAL  46  17.742  -6.412  24.620
  378   HG22  VAL  46          1HG2      VAL  46  17.443  -7.627  25.907
  379   HG23  VAL  46          2HG2      VAL  46  16.484  -6.138  25.841
  380    HA   PRO  47           HA       PRO  47  20.667  -4.215  22.847
  381    HB2  PRO  47           2HB      PRO  47  22.664  -2.402  23.091
  382    HB3  PRO  47           3HB      PRO  47  21.051  -2.140  23.850
  383    HG2  PRO  47           2HG      PRO  47  23.560  -3.263  25.136
  384    HG3  PRO  47           3HG      PRO  47  22.529  -1.920  25.734
  385    HD2  PRO  47           2HD      PRO  47  22.244  -4.476  26.606
  386    HD3  PRO  47           3HD      PRO  47  20.825  -3.402  26.395
  387    H    ASP  48           H        ASP  48  23.312  -5.630  24.729
  388    HA   ASP  48           HA       ASP  48  25.067  -5.893  22.407
  389    HB2  ASP  48           2HB      ASP  48  25.894  -5.569  24.744
  390    HB3  ASP  48           3HB      ASP  48  25.217  -7.149  25.174
  391    H    VAL  49           H        VAL  49  22.644  -7.815  24.120
  392    HA   VAL  49           HA       VAL  49  23.359 -10.309  22.794
  393    HB   VAL  49           HB       VAL  49  20.998  -9.401  24.482
  394   HG11  VAL  49          1HG1      VAL  49  21.636 -12.184  23.414
  395   HG12  VAL  49          2HG1      VAL  49  20.399 -11.795  24.631
  396   HG13  VAL  49          3HG1      VAL  49  20.224 -11.190  22.971
  397   HG21  VAL  49          3HG2      VAL  49  23.204  -9.651  25.625
  398   HG22  VAL  49          1HG2      VAL  49  22.036 -10.876  26.161
  399   HG23  VAL  49          2HG2      VAL  49  23.317 -11.311  25.004
  400    H    VAL  50           H        VAL  50  21.213  -7.550  22.130
  401    HA   VAL  50           HA       VAL  50  19.812  -8.879  19.966
  402    HB   VAL  50           HB       VAL  50  20.199  -5.971  20.765
  403   HG11  VAL  50          1HG1      VAL  50  18.395  -5.460  19.131
  404   HG12  VAL  50          2HG1      VAL  50  19.880  -6.023  18.334
  405   HG13  VAL  50          3HG1      VAL  50  18.500  -7.126  18.516
  406   HG21  VAL  50          3HG2      VAL  50  17.848  -6.147  21.424
  407   HG22  VAL  50          1HG2      VAL  50  17.758  -7.795  20.768
  408   HG23  VAL  50          2HG2      VAL  50  18.759  -7.465  22.198
  409    H    GLN  51           H        GLN  51  22.841  -7.000  20.295
  410    HA   GLN  51           HA       GLN  51  23.241  -6.807  17.431
  411    HB2  GLN  51           2HB      GLN  51  24.263  -5.259  19.056
  412    HB3  GLN  51           3HB      GLN  51  25.208  -6.600  19.741
  413    HG2  GLN  51           2HG      GLN  51  26.344  -6.940  17.601
  414    HG3  GLN  51           3HG      GLN  51  25.343  -5.701  16.830
  415   HE21  GLN  51          2HE2      GLN  51  27.807  -5.105  16.391
  416   HE22  GLN  51          1HE2      GLN  51  28.471  -3.934  17.509
  417    H    GLU  52           H        GLU  52  24.365  -9.084  20.021
  418    HA   GLU  52           HA       GLU  52  26.001 -10.600  18.223
  419    HB2  GLU  52           2HB      GLU  52  26.194 -10.657  20.687
  420    HB3  GLU  52           3HB      GLU  52  24.613 -11.475  20.791
  421    HG2  GLU  52           2HG      GLU  52  25.481 -13.359  19.463
  422    HG3  GLU  52           3HG      GLU  52  27.041 -12.542  19.286
  423    H    ALA  53           H        ALA  53  22.517 -10.581  18.929
  424    HA   ALA  53           HA       ALA  53  21.989 -13.136  17.722
  425    HB1  ALA  53           1HB      ALA  53  19.642 -12.377  17.803
  426    HB2  ALA  53           2HB      ALA  53  20.475 -12.087  19.346
  427    HB3  ALA  53           3HB      ALA  53  20.183 -10.737  18.219
  428    H    PHE  54           H        PHE  54  22.345  -9.814  16.463
  429    HA   PHE  54           HA       PHE  54  21.301 -10.628  13.842
  430    HB2  PHE  54           2HB      PHE  54  22.538  -8.065  14.893
  431    HB3  PHE  54           3HB      PHE  54  22.008  -8.278  13.233
  432    HD1  PHE  54           HD2      PHE  54  19.461  -9.945  13.865
  433    HD2  PHE  54           HD1      PHE  54  21.033  -6.281  15.503
  434    HE1  PHE  54           HE2      PHE  54  17.179  -9.235  14.491
  435    HE2  PHE  54           HE1      PHE  54  18.740  -5.556  16.061
  436    HZ   PHE  54           HZ       PHE  54  16.809  -7.038  15.558
  437    H    ILE  55           H        ILE  55  24.460 -10.272  15.418
  438    HA   ILE  55           HA       ILE  55  25.948 -10.529  12.942
  439    HB   ILE  55           HB       ILE  55  26.669 -11.069  15.850
  440   HG12  ILE  55          2HG1      ILE  55  27.377  -8.724  14.018
  441   HG13  ILE  55          3HG1      ILE  55  26.092  -8.690  15.216
  442   HG21  ILE  55          1HG2      ILE  55  28.471 -10.888  13.395
  443   HG22  ILE  55          2HG2      ILE  55  29.031 -11.051  15.076
  444   HG23  ILE  55          3HG2      ILE  55  28.127 -12.366  14.319
  445   HD11  ILE  55          3HD1      ILE  55  29.061  -9.073  15.777
  446   HD12  ILE  55          1HD1      ILE  55  28.069  -7.653  16.142
  447   HD13  ILE  55          2HD1      ILE  55  27.772  -9.180  17.006
  448    H    LYS  56           H        LYS  56  24.628 -12.744  15.406
  449    HA   LYS  56           HA       LYS  56  25.792 -15.126  14.269
  450    HB2  LYS  56           2HB      LYS  56  25.202 -14.815  16.647
  451    HB3  LYS  56           3HB      LYS  56  23.489 -14.679  16.211
  452    HG2  LYS  56           2HG      LYS  56  23.569 -17.007  15.305
  453    HG3  LYS  56           3HG      LYS  56  25.266 -17.128  15.830
  454    HD2  LYS  56           2HD      LYS  56  22.869 -16.564  17.626
  455    HD3  LYS  56           3HD      LYS  56  23.696 -18.131  17.486
  456    HE2  LYS  56           2HE      LYS  56  25.784 -17.122  18.319
  457    HE3  LYS  56           3HE      LYS  56  24.999 -15.532  18.408
  458    HZ1  LYS  56           3HZ      LYS  56  23.461 -16.447  19.991
  459    HZ2  LYS  56           1HZ      LYS  56  24.226 -17.905  19.955
  460    HZ3  LYS  56           2HZ      LYS  56  25.007 -16.580  20.531
  461    H    ALA  57           H        ALA  57  22.734 -13.336  13.870
  462    HA   ALA  57           HA       ALA  57  21.358 -15.442  12.487
  463    HB1  ALA  57           1HB      ALA  57  20.132 -13.602  13.503
  464    HB2  ALA  57           2HB      ALA  57  20.962 -12.423  12.452
  465    HB3  ALA  57           3HB      ALA  57  19.842 -13.612  11.755
  466    H    TYR  58           H        TYR  58  23.312 -12.600  11.331
  467    HA   TYR  58           HA       TYR  58  22.716 -12.963   8.597
  468    HB2  TYR  58           2HB      TYR  58  23.824 -10.984   9.657
  469    HB3  TYR  58           3HB      TYR  58  25.285 -11.949   9.875
  470    HD1  TYR  58           HD1      TYR  58  22.872 -11.007   7.141
  471    HD2  TYR  58           HD2      TYR  58  26.948 -11.791   8.271
  472    HE1  TYR  58           HE1      TYR  58  23.610 -10.360   4.875
  473    HE2  TYR  58           HE2      TYR  58  27.702 -11.174   5.988
  474    HH   TYR  58           HH       TYR  58  25.407 -10.117   3.442
  475    H    ARG  59           H        ARG  59  25.214 -14.461  10.645
  476    HA   ARG  59           HA       ARG  59  26.620 -15.755   8.476
  477    HB2  ARG  59           2HB      ARG  59  26.521 -16.226  11.479
  478    HB3  ARG  59           3HB      ARG  59  27.678 -17.007  10.374
  479    HG2  ARG  59           2HG      ARG  59  28.657 -14.890   9.773
  480    HG3  ARG  59           3HG      ARG  59  27.397 -13.977  10.636
  481    HD2  ARG  59           2HD      ARG  59  28.110 -14.891  12.770
  482    HD3  ARG  59           3HD      ARG  59  29.269 -15.962  11.960
  483    HE   ARG  59           HE       ARG  59  29.883 -13.307  11.203
  484   HH11  ARG  59          1HH1      ARG  59  29.880 -15.289  14.130
  485   HH12  ARG  59          2HH1      ARG  59  31.171 -14.384  14.889
  486   HH21  ARG  59          1HH2      ARG  59  31.556 -12.144  12.211
  487   HH22  ARG  59          2HH2      ARG  59  32.127 -12.606  13.796
  488    H    ALA  60           H        ALA  60  23.809 -16.550  10.429
  489    HA   ALA  60           HA       ALA  60  23.759 -19.323   9.416
  490    HB1  ALA  60           1HB      ALA  60  21.898 -17.808  11.291
  491    HB2  ALA  60           2HB      ALA  60  21.831 -19.549  10.924
  492    HB3  ALA  60           3HB      ALA  60  23.233 -18.873  11.781
  493    H    LEU  61           H        LEU  61  22.652 -16.215   8.447
  494    HA   LEU  61           HA       LEU  61  20.114 -17.016   7.349
  495    HB2  LEU  61           2HB      LEU  61  20.825 -14.698   8.164
  496    HB3  LEU  61           3HB      LEU  61  21.819 -14.577   6.697
  497    HG   LEU  61           HG       LEU  61  19.727 -14.938   5.339
  498   HD11  LEU  61          1HD1      LEU  61  18.479 -14.672   8.100
  499   HD12  LEU  61          2HD1      LEU  61  17.568 -14.520   6.570
  500   HD13  LEU  61          3HD1      LEU  61  18.319 -16.072   7.010
  501   HD21  LEU  61          3HD2      LEU  61  20.640 -12.702   5.813
  502   HD22  LEU  61          1HD2      LEU  61  18.859 -12.669   5.773
  503   HD23  LEU  61          2HD2      LEU  61  19.718 -12.630   7.336
  504    H    ASP  62           H        ASP  62  23.450 -16.931   6.231
  505    HA   ASP  62           HA       ASP  62  22.890 -17.124   3.420
  506    HB2  ASP  62           2HB      ASP  62  25.057 -16.428   4.411
  507    HB3  ASP  62           3HB      ASP  62  25.287 -18.067   5.038
  508    H    SER  63           H        SER  63  22.413 -19.285   6.040
  509    HA   SER  63           HA       SER  63  22.363 -21.644   4.229
  510    HB2  SER  63           2HB      SER  63  22.630 -21.485   7.252
  511    HB3  SER  63           3HB      SER  63  22.605 -22.975   6.278
  512    HG   SER  63           HG       SER  63  24.737 -22.269   6.747
  513    H    PHE  64           H        PHE  64  20.297 -19.340   5.522
  514    HA   PHE  64           HA       PHE  64  18.166 -21.102   6.376
  515    HB2  PHE  64           2HB      PHE  64  18.334 -18.761   7.130
  516    HB3  PHE  64           3HB      PHE  64  18.137 -18.202   5.472
  517    HD1  PHE  64           HD1      PHE  64  16.260 -20.851   7.403
  518    HD2  PHE  64           HD2      PHE  64  16.117 -17.056   5.384
  519    HE1  PHE  64           HE1      PHE  64  13.800 -20.775   7.714
  520    HE2  PHE  64           HE2      PHE  64  13.642 -16.982   5.725
  521    HZ   PHE  64           HZ       PHE  64  12.503 -18.841   6.893
  522    H    ARG  65           H        ARG  65  16.625 -22.104   5.167
  523    HA   ARG  65           HA       ARG  65  16.698 -21.597   2.228
  524    HB2  ARG  65           2HB      ARG  65  17.807 -23.803   3.466
  525    HB3  ARG  65           3HB      ARG  65  16.165 -24.365   3.140
  526    HG2  ARG  65           2HG      ARG  65  17.144 -24.938   1.147
  527    HG3  ARG  65           3HG      ARG  65  16.665 -23.286   0.727
  528    HD2  ARG  65           2HD      ARG  65  19.395 -24.245   1.691
  529    HD3  ARG  65           3HD      ARG  65  18.999 -23.687   0.055
  530    HE   ARG  65           HE       ARG  65  18.368 -21.552   1.747
  531   HH11  ARG  65          1HH1      ARG  65  21.259 -23.415   0.933
  532   HH12  ARG  65          2HH1      ARG  65  22.347 -22.092   1.298
  533   HH21  ARG  65          1HH2      ARG  65  19.789 -19.870   2.205
  534   HH22  ARG  65          2HH2      ARG  65  21.518 -20.083   2.008
  535    H    GLY  66           H        GLY  66  14.752 -21.451   4.923
  536    HA2  GLY  66           2HA      GLY  66  12.330 -22.595   3.813
  537    HA3  GLY  66           3HA      GLY  66  12.462 -21.510   5.215
  538    H    ASP  67           H        ASP  67  13.809 -19.369   4.028
  539    HA   ASP  67           HA       ASP  67  13.392 -17.386   3.099
  540    HB2  ASP  67           2HB      ASP  67  12.719 -19.112   0.704
  541    HB3  ASP  67           3HB      ASP  67  13.161 -17.400   0.657
  542    H    SER  68           H        SER  68  10.894 -18.772   4.308
  543    HA   SER  68           HA       SER  68   9.000 -16.747   3.259
  544    HB2  SER  68           2HB      SER  68   8.384 -19.714   3.569
  545    HB3  SER  68           3HB      SER  68   7.193 -18.447   3.208
  546    HG   SER  68           HG       SER  68   7.951 -19.514   1.329
  547    H    ALA  69           H        ALA  69  10.575 -17.997   5.899
  548    HA   ALA  69           HA       ALA  69   8.497 -16.945   7.709
  549    HB1  ALA  69           1HB      ALA  69   9.809 -19.678   8.019
  550    HB2  ALA  69           2HB      ALA  69   8.732 -18.904   9.208
  551    HB3  ALA  69           3HB      ALA  69   8.105 -19.375   7.611
  552    H    PHE  70           H        PHE  70  10.503 -15.378   7.104
  553    HA   PHE  70           HA       PHE  70  12.974 -15.894   8.452
  554    HB2  PHE  70           2HB      PHE  70  12.822 -14.342   6.582
  555    HB3  PHE  70           3HB      PHE  70  11.667 -13.339   7.461
  556    HD1  PHE  70           HD1      PHE  70  15.151 -14.725   7.809
  557    HD2  PHE  70           HD2      PHE  70  12.448 -11.480   8.636
  558    HE1  PHE  70           HE1      PHE  70  17.000 -13.441   8.841
  559    HE2  PHE  70           HE2      PHE  70  14.301 -10.202   9.666
  560    HZ   PHE  70           HZ       PHE  70  16.585 -11.188   9.771
  561    H    TYR  71           H        TYR  71   9.921 -14.350   9.549
  562    HA   TYR  71           HA       TYR  71  11.200 -13.017  11.758
  563    HB2  TYR  71           2HB      TYR  71   8.934 -12.597  12.553
  564    HB3  TYR  71           3HB      TYR  71   9.130 -12.189  10.852
  565    HD1  TYR  71           HD1      TYR  71   7.623 -14.577  13.227
  566    HD2  TYR  71           HD2      TYR  71   7.899 -13.345   9.121
  567    HE1  TYR  71           HE1      TYR  71   5.627 -15.955  12.685
  568    HE2  TYR  71           HE2      TYR  71   5.915 -14.733   8.561
  569    HH   TYR  71           HH       TYR  71   4.188 -16.652  11.045
  570    H    THR  72           H        THR  72   9.417 -16.172  11.518
  571    HA   THR  72           HA       THR  72   9.641 -16.699  14.342
  572    HB   THR  72           HB       THR  72   9.374 -18.652  12.019
  573    HG1  THR  72           1HG      THR  72   7.166 -18.437  12.453
  574   HG21  THR  72          1HG2      THR  72   8.658 -18.856  14.976
  575   HG22  THR  72          2HG2      THR  72   8.250 -20.066  13.741
  576   HG23  THR  72          3HG2      THR  72   9.951 -19.755  14.146
  577    H    TRP  73           H        TRP  73  11.687 -17.221  11.507
  578    HA   TRP  73           HA       TRP  73  13.563 -19.003  12.776
  579    HB2  TRP  73           2HB      TRP  73  13.193 -18.969  10.375
  580    HB3  TRP  73           3HB      TRP  73  13.641 -17.263  10.290
  581    HD1  TRP  73           HD1      TRP  73  15.122 -20.715  10.337
  582    HE1  TRP  73           HE1      TRP  73  17.653 -20.607   9.993
  583    HE3  TRP  73           HE3      TRP  73  15.773 -15.646  10.735
  584    HZ2  TRP  73           HZ2      TRP  73  19.713 -18.590   9.995
  585    HZ3  TRP  73           HZ3      TRP  73  18.032 -14.678  10.587
  586    HH2  TRP  73           HH2      TRP  73  20.005 -16.135  10.249
  587    H    LEU  74           H        LEU  74  13.205 -15.478  12.573
  588    HA   LEU  74           HA       LEU  74  15.940 -15.004  13.483
  589    HB2  LEU  74           2HB      LEU  74  14.858 -13.493  11.869
  590    HB3  LEU  74           3HB      LEU  74  13.559 -13.169  13.031
  591    HG   LEU  74           HG       LEU  74  15.233 -12.176  14.597
  592   HD11  LEU  74          1HD1      LEU  74  17.166 -12.591  12.276
  593   HD12  LEU  74          2HD1      LEU  74  17.492 -11.622  13.729
  594   HD13  LEU  74          3HD1      LEU  74  17.257 -13.370  13.879
  595   HD21  LEU  74          3HD2      LEU  74  15.584 -10.120  13.325
  596   HD22  LEU  74          1HD2      LEU  74  15.295 -10.988  11.800
  597   HD23  LEU  74          2HD2      LEU  74  13.974 -10.794  12.978
  598    H    TYR  75           H        TYR  75  12.604 -14.956  14.847
  599    HA   TYR  75           HA       TYR  75  13.282 -13.692  17.300
  600    HB2  TYR  75           2HB      TYR  75  11.191 -15.824  16.713
  601    HB3  TYR  75           3HB      TYR  75  11.258 -14.846  18.177
  602    HD1  TYR  75           HD1      TYR  75  12.115 -12.262  16.382
  603    HD2  TYR  75           HD2      TYR  75   8.879 -15.098  16.385
  604    HE1  TYR  75           HE1      TYR  75  10.643 -10.575  15.344
  605    HE2  TYR  75           HE2      TYR  75   7.398 -13.408  15.317
  606    HH   TYR  75           HH       TYR  75   8.560 -10.114  14.522
  607    H    ARG  76           H        ARG  76  13.704 -17.063  16.211
  608    HA   ARG  76           HA       ARG  76  14.309 -17.969  18.904
  609    HB2  ARG  76           2HB      ARG  76  14.864 -20.087  17.903
  610    HB3  ARG  76           3HB      ARG  76  13.333 -19.484  17.247
  611    HG2  ARG  76           2HG      ARG  76  14.469 -18.753  15.197
  612    HG3  ARG  76           3HG      ARG  76  16.044 -19.245  15.869
  613    HD2  ARG  76           2HD      ARG  76  15.158 -21.578  16.082
  614    HD3  ARG  76           3HD      ARG  76  13.687 -21.054  15.235
  615    HE   ARG  76           HE       ARG  76  15.865 -20.279  13.635
  616   HH11  ARG  76          1HH1      ARG  76  14.446 -23.286  14.846
  617   HH12  ARG  76          2HH1      ARG  76  15.013 -24.237  13.492
  618   HH21  ARG  76          1HH2      ARG  76  16.613 -21.557  11.895
  619   HH22  ARG  76          2HH2      ARG  76  16.226 -23.259  11.824
  620    H    ILE  77           H        ILE  77  16.217 -16.427  16.357
  621    HA   ILE  77           HA       ILE  77  18.752 -17.419  17.319
  622    HB   ILE  77           HB       ILE  77  18.197 -14.766  15.942
  623   HG12  ILE  77          2HG1      ILE  77  17.277 -16.530  14.538
  624   HG13  ILE  77          3HG1      ILE  77  18.724 -15.817  13.821
  625   HG21  ILE  77          1HG2      ILE  77  20.416 -14.891  16.920
  626   HG22  ILE  77          2HG2      ILE  77  20.686 -16.498  16.212
  627   HG23  ILE  77          3HG2      ILE  77  20.562 -15.064  15.166
  628   HD11  ILE  77          3HD1      ILE  77  18.685 -18.264  13.538
  629   HD12  ILE  77          1HD1      ILE  77  20.069 -17.763  14.525
  630   HD13  ILE  77          2HD1      ILE  77  18.627 -18.479  15.300
  631    H    ALA  78           H        ALA  78  16.620 -14.677  18.180
  632    HA   ALA  78           HA       ALA  78  18.667 -13.360  19.732
  633    HB1  ALA  78           1HB      ALA  78  15.652 -12.955  19.615
  634    HB2  ALA  78           2HB      ALA  78  16.826 -11.828  20.340
  635    HB3  ALA  78           3HB      ALA  78  16.855 -12.142  18.591
  636    H    VAL  79           H        VAL  79  15.903 -15.524  20.570
  637    HA   VAL  79           HA       VAL  79  16.357 -15.082  23.412
  638    HB   VAL  79           HB       VAL  79  14.145 -15.593  22.588
  639   HG11  VAL  79          1HG1      VAL  79  15.234 -18.339  21.857
  640   HG12  VAL  79          2HG1      VAL  79  13.544 -17.813  21.762
  641   HG13  VAL  79          3HG1      VAL  79  14.765 -17.073  20.694
  642   HG21  VAL  79          3HG2      VAL  79  15.221 -17.910  24.253
  643   HG22  VAL  79          1HG2      VAL  79  14.834 -16.302  24.891
  644   HG23  VAL  79          2HG2      VAL  79  13.546 -17.323  24.200
  645    H    ASN  80           H        ASN  80  17.503 -17.447  20.998
  646    HA   ASN  80           HA       ASN  80  18.607 -19.185  23.053
  647    HB2  ASN  80           2HB      ASN  80  19.039 -18.981  20.045
  648    HB3  ASN  80           3HB      ASN  80  19.796 -20.211  21.066
  649   HD21  ASN  80          2HD2      ASN  80  18.259 -21.100  19.016
  650   HD22  ASN  80          1HD2      ASN  80  16.755 -21.762  19.630
  651    H    THR  81           H        THR  81  19.633 -16.225  21.478
  652    HA   THR  81           HA       THR  81  22.442 -16.639  22.131
  653    HB   THR  81           HB       THR  81  20.906 -14.152  21.271
  654    HG1  THR  81           1HG      THR  81  21.019 -15.662  19.660
  655   HG21  THR  81          1HG2      THR  81  22.978 -13.520  22.474
  656   HG22  THR  81          2HG2      THR  81  23.906 -14.676  21.501
  657   HG23  THR  81          3HG2      THR  81  23.153 -13.255  20.730
  658    H    ALA  82           H        ALA  82  19.589 -15.245  23.710
  659    HA   ALA  82           HA       ALA  82  21.077 -13.885  25.780
  660    HB1  ALA  82           1HB      ALA  82  18.191 -14.868  25.654
  661    HB2  ALA  82           2HB      ALA  82  18.834 -13.723  26.844
  662    HB3  ALA  82           3HB      ALA  82  18.778 -13.272  25.122
  663    H    LYS  83           H        LYS  83  19.863 -17.175  25.275
  664    HA   LYS  83           HA       LYS  83  20.230 -17.942  28.063
  665    HB2  LYS  83           2HB      LYS  83  19.651 -19.499  25.521
  666    HB3  LYS  83           3HB      LYS  83  19.759 -20.232  27.135
  667    HG2  LYS  83           2HG      LYS  83  17.937 -18.819  27.959
  668    HG3  LYS  83           3HG      LYS  83  17.868 -17.951  26.416
  669    HD2  LYS  83           2HD      LYS  83  17.254 -20.054  25.251
  670    HD3  LYS  83           3HD      LYS  83  17.322 -20.923  26.803
  671    HE2  LYS  83           2HE      LYS  83  15.555 -19.457  27.710
  672    HE3  LYS  83           3HE      LYS  83  15.485 -18.576  26.179
  673    HZ1  LYS  83           3HZ      LYS  83  14.816 -20.614  25.103
  674    HZ2  LYS  83           1HZ      LYS  83  14.880 -21.438  26.522
  675    HZ3  LYS  83           2HZ      LYS  83  13.773 -20.241  26.318
  676    H    ASN  84           H        ASN  84  22.233 -18.023  25.093
  677    HA   ASN  84           HA       ASN  84  24.201 -19.645  26.533
  678    HB2  ASN  84           2HB      ASN  84  25.401 -19.847  24.606
  679    HB3  ASN  84           3HB      ASN  84  23.740 -19.767  24.005
  680   HD21  ASN  84          2HD2      ASN  84  26.587 -17.643  24.716
  681   HD22  ASN  84          1HD2      ASN  84  26.348 -16.604  23.323
  682    H    TYR  85           H        TYR  85  23.374 -16.305  26.274
  683    HA   TYR  85           HA       TYR  85  26.049 -15.270  26.729
  684    HB2  TYR  85           2HB      TYR  85  24.262 -14.018  25.581
  685    HB3  TYR  85           3HB      TYR  85  23.286 -14.034  27.053
  686    HD1  TYR  85           HD2      TYR  85  26.393 -12.741  25.489
  687    HD2  TYR  85           HD1      TYR  85  23.665 -12.440  28.804
  688    HE1  TYR  85           HE2      TYR  85  27.458 -10.611  26.163
  689    HE2  TYR  85           HE1      TYR  85  24.726 -10.314  29.494
  690    HH   TYR  85           HH       TYR  85  26.322  -8.735  29.005
  691    H    LEU  86           H        LEU  86  23.226 -16.125  28.759
  692    HA   LEU  86           HA       LEU  86  24.537 -15.076  31.158
  693    HB2  LEU  86           2HB      LEU  86  21.981 -16.662  30.734
  694    HB3  LEU  86           3HB      LEU  86  22.541 -16.045  32.302
  695    HG   LEU  86           HG       LEU  86  21.861 -14.330  29.879
  696   HD11  LEU  86          1HD1      LEU  86  19.983 -13.594  31.334
  697   HD12  LEU  86          2HD1      LEU  86  19.894 -15.334  30.963
  698   HD13  LEU  86          3HD1      LEU  86  20.474 -14.789  32.553
  699   HD21  LEU  86          3HD2      LEU  86  22.084 -12.447  31.509
  700   HD22  LEU  86          1HD2      LEU  86  22.713 -13.593  32.711
  701   HD23  LEU  86          2HD2      LEU  86  23.631 -13.268  31.224
  702    H    VAL  87           H        VAL  87  24.350 -18.246  29.547
  703    HA   VAL  87           HA       VAL  87  25.270 -19.589  31.973
  704    HB   VAL  87           HB       VAL  87  23.839 -20.638  30.179
  705   HG11  VAL  87          1HG1      VAL  87  25.220 -19.777  28.255
  706   HG12  VAL  87          2HG1      VAL  87  26.496 -20.927  28.709
  707   HG13  VAL  87          3HG1      VAL  87  24.907 -21.530  28.197
  708   HG21  VAL  87          3HG2      VAL  87  25.016 -21.945  31.919
  709   HG22  VAL  87          1HG2      VAL  87  24.927 -22.831  30.380
  710   HG23  VAL  87          2HG2      VAL  87  26.449 -22.056  30.869
  711    H    ALA  88           H        ALA  88  26.707 -17.969  29.194
  712    HA   ALA  88           HA       ALA  88  29.287 -19.222  29.477
  713    HB1  ALA  88           1HB      ALA  88  30.011 -17.406  27.930
  714    HB2  ALA  88           2HB      ALA  88  28.532 -18.215  27.357
  715    HB3  ALA  88           3HB      ALA  88  28.436 -16.615  28.137
  716    H    GLN  89           H        GLN  89  27.609 -16.746  31.205
  717    HA   GLN  89           HA       GLN  89  30.157 -15.861  32.485
  718    HB2  GLN  89           2HB      GLN  89  27.436 -14.518  32.325
  719    HB3  GLN  89           3HB      GLN  89  28.855 -13.881  33.188
  720    HG2  GLN  89           2HG      GLN  89  30.133 -13.831  31.070
  721    HG3  GLN  89           3HG      GLN  89  28.735 -14.481  30.199
  722   HE21  GLN  89          2HE2      GLN  89  26.828 -13.187  29.947
  723   HE22  GLN  89          1HE2      GLN  89  26.911 -11.443  30.102
  724    H    GLY  90           H        GLY  90  27.212 -17.656  32.945
  725    HA2  GLY  90           2HA      GLY  90  27.242 -17.483  35.858
  726    HA3  GLY  90           3HA      GLY  90  26.232 -18.536  34.845
  727    H    ARG  91           H        ARG  91  28.947 -19.286  33.443
  728    HA   ARG  91           HA       ARG  91  29.785 -21.310  35.467
  729    HB2  ARG  91           2HB      ARG  91  29.962 -21.364  32.431
  730    HB3  ARG  91           3HB      ARG  91  30.549 -22.634  33.505
  731    HG2  ARG  91           2HG      ARG  91  27.649 -21.718  33.260
  732    HG3  ARG  91           3HG      ARG  91  28.335 -23.186  32.554
  733    HD2  ARG  91           2HD      ARG  91  28.158 -22.558  35.533
  734    HD3  ARG  91           3HD      ARG  91  27.114 -23.669  34.625
  735    HE   ARG  91           HE       ARG  91  29.851 -24.413  34.258
  736   HH11  ARG  91          1HH1      ARG  91  27.288 -24.451  36.693
  737   HH12  ARG  91          2HH1      ARG  91  27.930 -25.848  37.521
  738   HH21  ARG  91          1HH2      ARG  91  30.672 -26.239  35.354
  739   HH22  ARG  91          2HH2      ARG  91  29.841 -26.859  36.762
  740    H    ARG  92           H        ARG  92  30.722 -18.361  34.458
  741    HA   ARG  92           HA       ARG  92  33.546 -18.872  33.916
  742    HB2  ARG  92           2HB      ARG  92  32.287 -17.017  32.889
  743    HB3  ARG  92           3HB      ARG  92  31.999 -16.312  34.492
  744    HG2  ARG  92           2HG      ARG  92  34.395 -15.928  34.793
  745    HG3  ARG  92           3HG      ARG  92  34.756 -16.790  33.283
  746    HD2  ARG  92           2HD      ARG  92  34.817 -14.354  32.949
  747    HD3  ARG  92           3HD      ARG  92  33.523 -15.106  31.995
  748    HE   ARG  92           HE       ARG  92  32.658 -14.142  34.615
  749   HH11  ARG  92          1HH1      ARG  92  33.208 -13.235  31.242
  750   HH12  ARG  92          2HH1      ARG  92  32.064 -11.907  31.294
  751   HH21  ARG  92          1HH2      ARG  92  31.165 -12.413  34.642
  752   HH22  ARG  92          2HH2      ARG  92  30.916 -11.451  33.206
  753    H    LEU  93           H        LEU  93  31.561 -18.387  36.749
  754    HA   LEU  93           HA       LEU  93  33.866 -17.701  38.444
  755    HB2  LEU  93           2HB      LEU  93  31.664 -16.623  38.747
  756    HB3  LEU  93           3HB      LEU  93  30.926 -18.199  39.068
  757    HG   LEU  93           HG       LEU  93  32.297 -18.445  41.107
  758   HD11  LEU  93          1HD1      LEU  93  33.355 -15.677  40.368
  759   HD12  LEU  93          2HD1      LEU  93  33.623 -16.501  41.921
  760   HD13  LEU  93          3HD1      LEU  93  34.306 -17.183  40.436
  761   HD21  LEU  93          3HD2      LEU  93  30.884 -15.761  40.898
  762   HD22  LEU  93          1HD2      LEU  93  30.112 -17.331  41.239
  763   HD23  LEU  93          2HD2      LEU  93  31.255 -16.630  42.406
  764    H    GLU  94           H        GLU  94  32.314 -20.519  37.230
  765    HA   GLU  94           HA       GLU  94  32.895 -22.217  39.532
  766    HB2  GLU  94           2HB      GLU  94  31.968 -22.863  36.709
  767    HB3  GLU  94           3HB      GLU  94  32.037 -24.013  38.056
  768    HG2  GLU  94           2HG      GLU  94  30.341 -21.480  37.975
  769    HG3  GLU  94           3HG      GLU  94  29.751 -23.119  37.710
  770    H    LEU  95           H        LEU  95  34.906 -20.783  37.360
  771    HA   LEU  95           HA       LEU  95  36.536 -23.111  36.654
  772    HB2  LEU  95           2HB      LEU  95  37.016 -20.127  36.294
  773    HB3  LEU  95           3HB      LEU  95  37.951 -21.428  35.547
  774    HG   LEU  95           HG       LEU  95  34.997 -20.859  35.065
  775   HD11  LEU  95          1HD1      LEU  95  37.449 -20.498  33.290
  776   HD12  LEU  95          2HD1      LEU  95  35.763 -20.184  32.820
  777   HD13  LEU  95          3HD1      LEU  95  36.536 -19.191  34.076
  778   HD21  LEU  95          3HD2      LEU  95  35.478 -23.261  34.832
  779   HD22  LEU  95          1HD2      LEU  95  35.235 -22.527  33.235
  780   HD23  LEU  95          2HD2      LEU  95  36.880 -22.897  33.799
  781    H    VAL  96           H        VAL  96  36.178 -21.230  39.448
  782    HA   VAL  96           HA       VAL  96  38.831 -22.096  40.419
  783    HB   VAL  96           HB       VAL  96  39.044 -19.907  41.608
  784   HG11  VAL  96          1HG1      VAL  96  38.943 -19.700  38.572
  785   HG12  VAL  96          2HG1      VAL  96  39.873 -18.658  39.668
  786   HG13  VAL  96          3HG1      VAL  96  40.290 -20.378  39.520
  787   HG21  VAL  96          3HG2      VAL  96  36.830 -18.993  39.715
  788   HG22  VAL  96          1HG2      VAL  96  36.673 -19.183  41.476
  789   HG23  VAL  96          2HG2      VAL  96  37.779 -17.968  40.810
  790    HA   PRO  97           HA       PRO  97  36.375 -23.222  43.944
  791    HB2  PRO  97           2HB      PRO  97  38.276 -23.572  45.840
  792    HB3  PRO  97           3HB      PRO  97  38.243 -24.604  44.371
  793    HG2  PRO  97           2HG      PRO  97  39.911 -22.111  44.847
  794    HG3  PRO  97           3HG      PRO  97  40.477 -23.720  44.292
  795    HD2  PRO  97           2HD      PRO  97  39.900 -21.686  42.553
  796    HD3  PRO  97           3HD      PRO  97  39.561 -23.395  42.142
  797    H    ARG  98           H        ARG  98  37.979 -20.237  43.630
  798    HA   ARG  98           HA       ARG  98  37.398 -19.241  46.324
  799    HB2  ARG  98           2HB      ARG  98  38.430 -17.822  43.837
  800    HB3  ARG  98           3HB      ARG  98  38.398 -17.156  45.475
  801    HG2  ARG  98           2HG      ARG  98  40.014 -19.565  44.530
  802    HG3  ARG  98           3HG      ARG  98  40.646 -17.958  44.904
  803    HD2  ARG  98           2HD      ARG  98  39.305 -19.842  46.886
  804    HD3  ARG  98           3HD      ARG  98  41.046 -19.542  46.750
  805    HE   ARG  98           HE       ARG  98  39.873 -17.026  47.109
  806   HH11  ARG  98          1HH1      ARG  98  40.096 -20.060  48.908
  807   HH12  ARG  98          2HH1      ARG  98  39.994 -19.277  50.468
  808   HH21  ARG  98          1HH2      ARG  98  39.728 -16.034  49.154
  809   HH22  ARG  98          2HH2      ARG  98  39.773 -17.008  50.606
  810    H    GLY  99           H        GLY  99  36.233 -17.148  46.573
  811    HA2  GLY  99           2HA      GLY  99  34.476 -15.704  46.179
  812    HA3  GLY  99           3HA      GLY  99  34.227 -16.447  44.587
  813    H    SER 100           H        SER 100  34.315 -18.974  46.796
  814    HA   SER 100           HA       SER 100  31.466 -18.759  47.571
  815    HB2  SER 100           2HB      SER 100  32.649 -21.064  45.976
  816    HB3  SER 100           3HB      SER 100  31.026 -21.034  46.709
  817    HG   SER 100           HG       SER 100  30.991 -20.421  44.512
  818    H    HIS 101           H        HIS 101  30.893 -20.048  49.340
  819    HA   HIS 101           HA       HIS 101  32.805 -21.898  50.543
  820    HB2  HIS 101           2HB      HIS 101  33.617 -19.673  51.316
  821    HB3  HIS 101           3HB      HIS 101  32.008 -19.325  51.965
  822    HD2  HIS 101           HD2      HIS 101  32.068 -19.568  54.526
  823    HE1  HIS 101           HE1      HIS 101  34.567 -22.990  54.899
  824    HE2  HIS 101           HE2      HIS 101  33.186 -21.275  56.175
  825    H    HIS 102           H        HIS 102  31.827 -23.013  52.419
  826    HA   HIS 102           HA       HIS 102  28.959 -22.559  52.878
  827    HB2  HIS 102           2HB      HIS 102  28.274 -24.771  52.265
  828    HB3  HIS 102           3HB      HIS 102  29.069 -24.041  50.867
  829    HD2  HIS 102           HD2      HIS 102  31.494 -25.051  50.150
  830    HE1  HIS 102           HE1      HIS 102  31.341 -28.488  52.653
  831    HE2  HIS 102           HE2      HIS 102  32.568 -27.373  50.719
  832    H    HIS 103           H        HIS 103  28.122 -24.097  54.557
  833    HA   HIS 103           HA       HIS 103  30.194 -25.172  56.355
  834    HB2  HIS 103           2HB      HIS 103  29.767 -22.773  56.969
  835    HB3  HIS 103           3HB      HIS 103  28.076 -23.189  57.272
  836    HD2  HIS 103           HD2      HIS 103  31.344 -25.050  58.407
  837    HE1  HIS 103           HE1      HIS 103  29.091 -24.138  61.896
  838    HE2  HIS 103           HE2      HIS 103  31.193 -25.272  61.004
  839    H    HIS 104           H        HIS 104  28.201 -26.322  54.563
  840    HA   HIS 104           HA       HIS 104  26.555 -27.859  54.443
  841    HB2  HIS 104           2HB      HIS 104  27.328 -28.469  57.309
  842    HB3  HIS 104           3HB      HIS 104  26.414 -29.520  56.221
  843    HD2  HIS 104           HD2      HIS 104  27.797 -30.391  53.945
  844    HE1  HIS 104           HE1      HIS 104  31.640 -29.955  55.712
  845    HE2  HIS 104           HE2      HIS 104  30.346 -30.980  53.773
  846    H    HIS 105           H        HIS 105  24.510 -28.804  55.688
  847    HA   HIS 105           HA       HIS 105  23.054 -26.543  56.936
  848    HB2  HIS 105           2HB      HIS 105  21.171 -26.853  55.466
  849    HB3  HIS 105           3HB      HIS 105  22.610 -26.533  54.503
  850    HD2  HIS 105           HD2      HIS 105  19.766 -28.282  53.811
  851    HE1  HIS 105           HE1      HIS 105  22.590 -31.352  52.975
  852    HE2  HIS 105           HE2      HIS 105  20.180 -30.589  52.638
  853    H    HIS 106           H        HIS 106  24.233 -29.304  57.714
  854    HA   HIS 106           HA       HIS 106  21.812 -30.247  59.144
  855    HB2  HIS 106           2HB      HIS 106  22.422 -32.559  58.696
  856    HB3  HIS 106           3HB      HIS 106  22.145 -31.692  57.183
  857    HD2  HIS 106           HD2      HIS 106  24.867 -33.467  59.198
  858    HE1  HIS 106           HE1      HIS 106  26.671 -32.362  55.510
  859    HE2  HIS 106           HE2      HIS 106  26.972 -33.704  57.656
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -1.983  -8.943  -3.380
    2    H2   MET   1           H2       MET   1  -2.175  -7.646  -2.376
    3    H3   MET   1           H3       MET   1  -1.084  -8.816  -2.007
    4    HA   MET   1           HA       MET   1   0.254  -8.275  -3.899
    5    HB2  MET   1           2HB      MET   1  -1.817  -6.087  -4.324
    6    HB3  MET   1           3HB      MET   1  -0.269  -6.237  -5.186
    7    HG2  MET   1           2HG      MET   1  -0.956  -8.456  -6.024
    8    HG3  MET   1           3HG      MET   1  -2.520  -8.281  -5.211
    9    HE1  MET   1           1HE      MET   1  -3.760  -8.856  -7.444
   10    HE2  MET   1           2HE      MET   1  -3.467  -8.026  -8.985
   11    HE3  MET   1           3HE      MET   1  -2.189  -9.031  -8.267
   12    H    SER   2           H        SER   2   1.780  -6.406  -3.921
   13    HA   SER   2           HA       SER   2   1.661  -4.697  -1.501
   14    HB2  SER   2           2HB      SER   2   3.988  -6.515  -2.224
   15    HB3  SER   2           3HB      SER   2   3.964  -5.329  -0.899
   16    HG   SER   2           HG       SER   2   2.249  -6.513   0.029
   17    H    GLU   3           H        GLU   3   3.354  -2.998  -1.553
   18    HA   GLU   3           HA       GLU   3   4.298  -2.376  -4.294
   19    HB2  GLU   3           2HB      GLU   3   3.579  -0.084  -4.081
   20    HB3  GLU   3           3HB      GLU   3   2.190  -1.152  -3.868
   21    HG2  GLU   3           2HG      GLU   3   3.764   0.132  -1.585
   22    HG3  GLU   3           3HG      GLU   3   2.273   0.780  -2.264
   23    H    GLN   4           H        GLN   4   5.322  -3.168  -1.343
   24    HA   GLN   4           HA       GLN   4   7.791  -1.586  -1.622
   25    HB2  GLN   4           2HB      GLN   4   6.432  -0.276  -0.120
   26    HB3  GLN   4           3HB      GLN   4   6.097  -1.688   0.903
   27    HG2  GLN   4           2HG      GLN   4   8.474  -1.804   1.536
   28    HG3  GLN   4           3HG      GLN   4   8.855  -0.488   0.413
   29   HE21  GLN   4          2HE2      GLN   4   9.744   0.066   2.794
   30   HE22  GLN   4          1HE2      GLN   4   8.689   1.144   3.691
   31    H    LEU   5           H        LEU   5   9.551  -2.468  -0.357
   32    HA   LEU   5           HA       LEU   5   9.707  -5.306  -0.741
   33    HB2  LEU   5           2HB      LEU   5  11.647  -3.478   0.713
   34    HB3  LEU   5           3HB      LEU   5  12.008  -5.019  -0.079
   35    HG   LEU   5           HG       LEU   5  11.142  -2.422  -1.423
   36   HD11  LEU   5          1HD1      LEU   5  13.492  -2.507  -0.630
   37   HD12  LEU   5          2HD1      LEU   5  13.732  -4.026  -1.522
   38   HD13  LEU   5          3HD1      LEU   5  13.405  -2.517  -2.409
   39   HD21  LEU   5          3HD2      LEU   5  11.830  -5.117  -2.685
   40   HD22  LEU   5          1HD2      LEU   5  10.215  -4.362  -2.651
   41   HD23  LEU   5          2HD2      LEU   5  11.536  -3.603  -3.559
   42    H    THR   6           H        THR   6  10.428  -6.847   0.811
   43    HA   THR   6           HA       THR   6   9.469  -6.451   3.591
   44    HB   THR   6           HB       THR   6   7.544  -7.300   2.364
   45    HG1  THR   6           1HG      THR   6   7.251  -9.206   3.489
   46   HG21  THR   6          1HG2      THR   6   9.506  -9.378   1.352
   47   HG22  THR   6          2HG2      THR   6   7.730  -9.548   1.217
   48   HG23  THR   6          3HG2      THR   6   8.564  -8.218   0.391
   49    H    ASP   7           H        ASP   7   9.865  -8.693   4.737
   50    HA   ASP   7           HA       ASP   7  12.671  -9.100   4.817
   51    HB2  ASP   7           2HB      ASP   7  12.138 -10.945   6.339
   52    HB3  ASP   7           3HB      ASP   7  11.171  -9.508   6.704
   53    H    GLN   8           H        GLN   8  10.280 -10.361   2.636
   54    HA   GLN   8           HA       GLN   8  11.596 -12.863   2.070
   55    HB2  GLN   8           2HB      GLN   8   9.235 -12.464   1.502
   56    HB3  GLN   8           3HB      GLN   8   9.709 -11.177   0.378
   57    HG2  GLN   8           2HG      GLN   8   9.230 -13.255  -0.836
   58    HG3  GLN   8           3HG      GLN   8  10.918 -12.790  -1.017
   59   HE21  GLN   8          2HE2      GLN   8  12.568 -13.992   0.104
   60   HE22  GLN   8          1HE2      GLN   8  12.253 -15.617   0.686
   61    H    VAL   9           H        VAL   9  11.589  -9.674   0.391
   62    HA   VAL   9           HA       VAL   9  13.628 -10.589  -1.495
   63    HB   VAL   9           HB       VAL   9  11.904  -9.202  -2.363
   64   HG11  VAL   9          1HG1      VAL   9  12.604  -7.174  -0.219
   65   HG12  VAL   9          2HG1      VAL   9  11.440  -6.936  -1.548
   66   HG13  VAL   9          3HG1      VAL   9  11.113  -8.151  -0.306
   67   HG21  VAL   9          3HG2      VAL   9  14.320  -7.376  -1.992
   68   HG22  VAL   9          1HG2      VAL   9  14.220  -8.687  -3.200
   69   HG23  VAL   9          2HG2      VAL   9  13.113  -7.300  -3.285
   70    H    LEU  10           H        LEU  10  13.526  -8.769   1.539
   71    HA   LEU  10           HA       LEU  10  16.143  -7.593   1.254
   72    HB2  LEU  10           2HB      LEU  10  14.129  -8.033   3.429
   73    HB3  LEU  10           3HB      LEU  10  15.797  -7.706   3.910
   74    HG   LEU  10           HG       LEU  10  15.867  -5.618   2.810
   75   HD11  LEU  10          1HD1      LEU  10  13.098  -6.168   1.679
   76   HD12  LEU  10          2HD1      LEU  10  14.016  -4.651   1.540
   77   HD13  LEU  10          3HD1      LEU  10  14.624  -6.110   0.745
   78   HD21  LEU  10          3HD2      LEU  10  14.695  -5.702   4.998
   79   HD22  LEU  10          1HD2      LEU  10  14.033  -4.417   3.960
   80   HD23  LEU  10          2HD2      LEU  10  13.152  -5.956   4.154
   81    H    VAL  11           H        VAL  11  14.983 -10.799   2.337
   82    HA   VAL  11           HA       VAL  11  17.633 -11.473   3.376
   83    HB   VAL  11           HB       VAL  11  15.120 -13.104   2.926
   84   HG11  VAL  11          1HG1      VAL  11  16.341 -14.861   4.243
   85   HG12  VAL  11          2HG1      VAL  11  16.998 -14.620   2.610
   86   HG13  VAL  11          3HG1      VAL  11  17.843 -13.930   4.018
   87   HG21  VAL  11          3HG2      VAL  11  16.647 -12.248   5.431
   88   HG22  VAL  11          1HG2      VAL  11  15.175 -11.458   4.832
   89   HG23  VAL  11          2HG2      VAL  11  15.116 -13.149   5.383
   90    H    GLU  12           H        GLU  12  15.889 -11.743   0.283
   91    HA   GLU  12           HA       GLU  12  17.791 -13.590  -0.893
   92    HB2  GLU  12           2HB      GLU  12  15.768 -11.621  -2.020
   93    HB3  GLU  12           3HB      GLU  12  16.798 -12.648  -3.040
   94    HG2  GLU  12           2HG      GLU  12  15.886 -14.662  -1.934
   95    HG3  GLU  12           3HG      GLU  12  14.842 -13.643  -0.929
   96    H    ARG  13           H        ARG  13  17.541 -10.040  -0.588
   97    HA   ARG  13           HA       ARG  13  19.585  -9.459  -2.519
   98    HB2  ARG  13           2HB      ARG  13  17.775  -7.934  -1.871
   99    HB3  ARG  13           3HB      ARG  13  18.415  -7.823  -0.232
  100    HG2  ARG  13           2HG      ARG  13  20.412  -6.725  -0.990
  101    HG3  ARG  13           3HG      ARG  13  20.024  -7.045  -2.699
  102    HD2  ARG  13           2HD      ARG  13  18.335  -5.337  -0.826
  103    HD3  ARG  13           3HD      ARG  13  19.515  -4.692  -1.988
  104    HE   ARG  13           HE       ARG  13  17.821  -6.323  -3.484
  105   HH11  ARG  13          1HH1      ARG  13  17.456  -3.464  -1.440
  106   HH12  ARG  13          2HH1      ARG  13  16.052  -2.883  -2.301
  107   HH21  ARG  13          1HH2      ARG  13  16.002  -5.539  -4.602
  108   HH22  ARG  13          2HH2      ARG  13  15.243  -4.046  -4.098
  109    H    VAL  14           H        VAL  14  19.661  -9.958   1.038
  110    HA   VAL  14           HA       VAL  14  22.447  -9.198   1.240
  111    HB   VAL  14           HB       VAL  14  22.325 -10.126   3.493
  112   HG11  VAL  14          1HG1      VAL  14  19.914  -8.477   2.615
  113   HG12  VAL  14          2HG1      VAL  14  20.411  -8.708   4.299
  114   HG13  VAL  14          3HG1      VAL  14  21.500  -7.877   3.149
  115   HG21  VAL  14          3HG2      VAL  14  19.547 -11.049   2.692
  116   HG22  VAL  14          1HG2      VAL  14  20.929 -12.095   3.123
  117   HG23  VAL  14          2HG2      VAL  14  20.204 -11.028   4.345
  118    H    GLN  15           H        GLN  15  20.759 -12.164   0.364
  119    HA   GLN  15           HA       GLN  15  23.121 -13.847   0.659
  120    HB2  GLN  15           2HB      GLN  15  20.427 -14.220  -0.692
  121    HB3  GLN  15           3HB      GLN  15  21.685 -15.468  -0.649
  122    HG2  GLN  15           2HG      GLN  15  21.668 -15.490   1.799
  123    HG3  GLN  15           3HG      GLN  15  20.506 -14.182   1.851
  124   HE21  GLN  15          2HE2      GLN  15  19.858 -16.523   3.163
  125   HE22  GLN  15          1HE2      GLN  15  18.602 -17.374   2.285
  126    H    LYS  16           H        LYS  16  21.964 -11.557  -1.648
  127    HA   LYS  16           HA