*HEADER    TRANSCRIPTION                           26-JAN-15   2RUW              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF5) OF IMMUNE-RELATED 
*TITLE    2 ZINC-FINGER PROTEIN ZFAT                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN ZFAT;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 352-381;                                      
*COMPND   5 SYNONYM: ZINC FINGER GENE IN AITD SUSCEPTIBILITY REGION, ZINC FINGER 
*COMPND   6 PROTEIN 406;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZFAT, KIAA1485, ZFAT1, ZNF406;                                 
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P060718-02                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RUW    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=72,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=91,97,95,96, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=97,103,101,102, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=94,100,98,99, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=87,107,90,91, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=111,116,114,115, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=113,119,117,118, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=109,124,112,113, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=128,133,131,132, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=126,141,129,130, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=155,160,158,159, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=157,163,161,162, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat=160,166,164,165, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=153,175,156,157, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=177,195,180,181, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=209,214,212,213, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=211,217,215,216, &end
#
#  chirality for residue 16 atoms:  CD NZ HE2 HE3
 &rst iat=217,223,221,222, &end
#
#  chirality for residue 16 atoms:  CG CE HD2 HD3
 &rst iat=214,220,218,219, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=207,227,210,211, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=231,236,234,235, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=233,239,237,238, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=239,245,243,244, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=236,242,240,241, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=229,249,232,233, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=253,258,256,257, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=255,261,259,260, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=261,267,265,266, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=258,264,262,263, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=251,271,254,255, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=275,280,278,279, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=273,292,276,277, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=296,301,299,300, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=294,303,297,298, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=305,315,308,309, &end
#
#  chirality for residue 22 atoms:  CA CG1 CG2 HB
 &rst iat=319,323,327,322, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=317,331,320,321, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=335,340,338,339, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=337,343,341,342, &end
#
#  chirality for residue 23 atoms:  CD NZ HE2 HE3
 &rst iat=343,349,347,348, &end
#
#  chirality for residue 23 atoms:  CG CE HD2 HD3
 &rst iat=340,346,344,345, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=333,353,336,337, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=357,362,360,361, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=355,367,358,359, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=371,376,374,375, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=373,378,382,377, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=369,386,372,373, &end
#
#  chirality for residue 26 atoms:  CA CG2 CG1 HB
 &rst iat=390,394,398,393, &end
#
#  chirality for residue 26 atoms:  CB CD1 HG12 HG13
 &rst iat=392,401,399,400, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=388,405,391,392, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=409,414,412,413, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=411,417,415,416, &end
#
#  chirality for residue 27 atoms:  CD NZ HE2 HE3
 &rst iat=417,423,421,422, &end
#
#  chirality for residue 27 atoms:  CG CE HD2 HD3
 &rst iat=414,420,418,419, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=407,427,410,411, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=431,436,434,435, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=429,444,432,433, &end
#
#  chirality for residue 29 atoms:  CA CG2 CG1 HB
 &rst iat=448,452,456,451, &end
#
#  chirality for residue 29 atoms:  CB CD1 HG12 HG13
 &rst iat=450,459,457,458, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=446,463,449,450, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=467,472,470,471, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=469,475,473,474, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=472,478,476,477, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=465,487,468,469, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=491,496,494,495, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=489,499,492,493, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=501,509,504,505, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=513,518,516,517, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=511,526,514,515, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=528,538,531,532, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=550,544,548,549, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=547,541,545,546, &end
#
#  chirality for residue 35 atoms:  CG N HD2 HD3
 &rst iat=544,540,542,543, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=540,552,551,547, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=556,561,559,560, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=558,564,562,563, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=554,569,557,558, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=573,578,576,577, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=571,581,574,575, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=89,87,85,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=111,109,107,89, &end
#
#  trans-omega constraint for residue 11
 &rst iat=128,126,124,111, &end
#
#  trans-omega constraint for residue 12
 &rst iat=145,143,141,128, &end
#
#  trans-omega constraint for residue 13
 &rst iat=155,153,151,145, &end
#
#  trans-omega constraint for residue 14
 &rst iat=179,177,175,155, &end
#
#  trans-omega constraint for residue 15
 &rst iat=199,197,195,179, &end
#
#  trans-omega constraint for residue 16
 &rst iat=209,207,205,199, &end
#
#  trans-omega constraint for residue 17
 &rst iat=231,229,227,209, &end
#
#  trans-omega constraint for residue 18
 &rst iat=253,251,249,231, &end
#
#  trans-omega constraint for residue 19
 &rst iat=275,273,271,253, &end
#
#  trans-omega constraint for residue 20
 &rst iat=296,294,292,275, &end
#
#  trans-omega constraint for residue 21
 &rst iat=307,305,303,296, &end
#
#  trans-omega constraint for residue 22
 &rst iat=319,317,315,307, &end
#
#  trans-omega constraint for residue 23
 &rst iat=335,333,331,319, &end
#
#  trans-omega constraint for residue 24
 &rst iat=357,355,353,335, &end
#
#  trans-omega constraint for residue 25
 &rst iat=371,369,367,357, &end
#
#  trans-omega constraint for residue 26
 &rst iat=390,388,386,371, &end
#
#  trans-omega constraint for residue 27
 &rst iat=409,407,405,390, &end
#
#  trans-omega constraint for residue 28
 &rst iat=431,429,427,409, &end
#
#  trans-omega constraint for residue 29
 &rst iat=448,446,444,431, &end
#
#  trans-omega constraint for residue 30
 &rst iat=467,465,463,448, &end
#
#  trans-omega constraint for residue 31
 &rst iat=491,489,487,467, &end
#
#  trans-omega constraint for residue 32
 &rst iat=503,501,499,491, &end
#
#  trans-omega constraint for residue 33
 &rst iat=513,511,509,503, &end
#
#  trans-omega constraint for residue 34
 &rst iat=530,528,526,513, &end
#
#  trans-omega constraint for residue 35
 &rst iat=550,540,538,530, &end
#
#  trans-omega constraint for residue 36
 &rst iat=556,554,552,550, &end
#
#  trans-omega constraint for residue 37
 &rst iat=573,571,569,556, &end
#
# 8 ILE HA 8 ILE HG12 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  79, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 8 ILE HA 8 ILE HG13 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  80, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 8 ILE HA 8 ILE QD1 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HA 8 ILE QG1 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=  79,  80,
 &end
#
# 8 ILE HA 8 ILE QG2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=  75,  76,  77,
 &end
#
# 8 ILE HA 9 LYS HA 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  90, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 8 ILE HA 9 LYS HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  88, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 8 ILE HA 9 LYS QB 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=  92,  93,
 &end
#
# 8 ILE HB 10 GLN QE2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 122, 123,
 &end
#
# 8 ILE HB 8 ILE QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HN 8 ILE HB 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 8 ILE HN 8 ILE HG12 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  79, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 8 ILE HN 8 ILE HG13 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  80, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 8 ILE HN 8 ILE QG1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=  79,  80,
 &end
#
# 8 ILE QG2 10 GLN QE2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  76,  77,
 igr2= 122, 123,
 &end
#
# 8 ILE QG2 8 ILE HG12 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=  75,  76,  77,
 &end
#
# 8 ILE QG2 8 ILE HG13 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=  75,  76,  77,
 &end
#
# 8 ILE QG2 8 ILE QG1 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=  75,  76,  77,
 igr2=  79,  80,
 &end
#
# 9 LYS HA 9 LYS QD 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=  98,  99,
 &end
#
# 9 LYS HN 9 LYS QG 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=  95,  96,
 &end
#
# 9 LYS QG 9 LYS QE 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=  95,  96,
 igr2= 101, 102,
 &end
#
# 10 GLN HA 10 GLN QG 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 117, 118,
 &end
#
# 10 GLN HA 11 HIS HD2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 140, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 10 GLN HA 11 HIS HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 127, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 10 GLN HA 25 LEU QD2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 383, 384, 385,
 &end
#
# 10 GLN HB2 11 HIS HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 127, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 10 GLN HB2 19 TYR HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 274, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 10 GLN HB2 25 LEU QD2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 383, 384, 385,
 &end
#
# 10 GLN HB3 11 HIS HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 127, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 10 GLN HB3 19 TYR HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 274, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 10 GLN HB3 25 LEU QD2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 383, 384, 385,
 &end
#
# 10 GLN HE21 22 VAL QG2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 328, 329, 330,
 &end
#
# 10 GLN HE22 22 VAL QG2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 123,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 328, 329, 330,
 &end
#
# 10 GLN HG2 22 VAL HA 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 320, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 10 GLN HG2 22 VAL QG2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 328, 329, 330,
 &end
#
# 10 GLN HG2 25 LEU QD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 383, 384, 385,
 &end
#
# 10 GLN HG3 22 VAL HA 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 320, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 10 GLN HG3 22 VAL QG2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 328, 329, 330,
 &end
#
# 10 GLN HG3 25 LEU QD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 383, 384, 385,
 &end
#
# 10 GLN HN 10 GLN QG 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 117, 118,
 &end
#
# 10 GLN QB 19 TYR QB 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 114, 115,
 igr2= 278, 279,
 &end
#
# 10 GLN QB 25 LEU HB2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 114, 115,
 &end
#
# 10 GLN QB 25 LEU QD1 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 114, 115,
 igr2= 379, 380, 381,
 &end
#
# 10 GLN QB 25 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= 114, 115,
 igr2= 383, 384, 385,
 &end
#
# 10 GLN QE2 22 VAL QG2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 122, 123,
 igr2= 328, 329, 330,
 &end
#
# 10 GLN QG 10 GLN QE2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 117, 118,
 igr2= 122, 123,
 &end
#
# 10 GLN QG 22 VAL HA 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 117, 118,
 &end
#
# 11 HIS HA 12 CYM  HB2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 149, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 11 HIS HA 12 CYM  HB3 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 11 HIS HA 12 CYM  HN 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 144, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 11 HIS HA 18 LYS HA 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 254, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 11 HIS HA 18 LYS QB 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 256, 257,
 &end
#
# 11 HIS HA 18 LYS QG 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 259, 260,
 &end
#
# 11 HIS HA 19 TYR HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 274, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 11 HIS HA 19 TYR QD 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 282, 291,
 &end
#
# 11 HIS HA 25 LEU QD1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 379, 380, 381,
 &end
#
# 11 HIS HN 11 HIS QB 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 131, 132,
 &end
#
# 11 HIS QB 11 HIS HE1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 12 CYM  HN 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 16 LYS HA 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 18 LYS HA 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 18 LYS HG2 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 18 LYS HG3 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 18 LYS QG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 131, 132,
 igr2= 259, 260,
 &end
#
# 12 CYM  HA 13 ARG HA 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 156, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 12 CYM  HA 13 ARG HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HA 13 ARG HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HA 25 LEU QD1 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 379, 380, 381,
 &end
#
# 12 CYM  HA 25 LEU QD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 383, 384, 385,
 &end
#
# 12 CYM  HA 28 HIS HD2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 443, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 12 CYM  HA 29 ILE HG12 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HA 29 ILE QD1 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 460, 461, 462,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 198, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 12 CYM  HB2 16 LYS HN 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 208, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 12 CYM  HB2 17 LYS HB2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 234, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 12 CYM  HB2 17 LYS HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 235, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 12 CYM  HB2 17 LYS HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 230, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 12 CYM  HB2 17 LYS QB 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 234, 235,
 &end
#
# 12 CYM  HB2 19 TYR QD 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 282, 291,
 &end
#
# 12 CYM  HB2 19 TYR QE 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 284, 289,
 &end
#
# 12 CYM  HB2 25 LEU QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 379, 380, 381,
 &end
#
# 12 CYM  HB2 25 LEU QD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 383, 384, 385,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 443, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 12 CYM  HB2 29 ILE QD1 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 460, 461, 462,
 &end
#
# 12 CYM  HB3 14 PHE HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 178, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 198, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 12 CYM  HB3 16 LYS HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 210, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 CYM  HB3 16 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 208, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 12 CYM  HB3 17 LYS HB2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 234, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 12 CYM  HB3 17 LYS HB3 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 235, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 12 CYM  HB3 17 LYS HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 230, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 12 CYM  HB3 17 LYS QB 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 234, 235,
 &end
#
# 12 CYM  HB3 19 TYR QE 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 284, 289,
 &end
#
# 12 CYM  HB3 25 LEU QD1 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 379, 380, 381,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 443, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 12 CYM  HN 16 LYS HA 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 210, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 12 CYM  HN 17 LYS HB2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 234, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 12 CYM  HN 17 LYS HB3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 235, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 12 CYM  HN 17 LYS HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 230, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 12 CYM  HN 18 LYS HA 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 254, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 12 CYM  HN 19 TYR QD 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 282, 291,
 &end
#
# 12 CYM  HN 25 LEU QD1 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 379, 380, 381,
 &end
#
# 13 ARG HA 13 ARG HD2 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 164, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 13 ARG HA 13 ARG HD3 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 165, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 13 ARG HA 13 ARG QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 164, 165,
 &end
#
# 13 ARG HA 14 PHE HA 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 180, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 13 ARG HG2 14 PHE HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 178, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 13 ARG HG2 14 PHE QD 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 186, 194,
 &end
#
# 13 ARG HG3 14 PHE HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 178, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 13 ARG HG3 14 PHE QD 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 186, 194,
 &end
#
# 13 ARG HN 14 PHE HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 178, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 13 ARG QB 13 ARG QD 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 158, 159,
 igr2= 164, 165,
 &end
#
# 13 ARG QG 14 PHE HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 161, 162,
 &end
#
# 13 ARG QG 14 PHE QD 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 161, 162,
 igr2= 186, 194,
 &end
#
# 14 PHE HA 14 PHE QD 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 186, 194,
 &end
#
# 14 PHE HB2 15 CYM  HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 14 PHE HB2 33 HIS HE1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 522, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 14 PHE HB3 15 CYM  HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 14 PHE HB3 33 HIS HE1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 522, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 14 PHE HN 14 PHE HB2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 14 PHE HN 14 PHE HB3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 14 PHE HN 14 PHE QB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 182, 183,
 &end
#
# 14 PHE HN 14 PHE QD 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 186, 194,
 &end
#
# 14 PHE HN 15 CYM  HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 198, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 14 PHE HZ 29 ILE QD1 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 460, 461, 462,
 &end
#
# 14 PHE HZ 29 ILE QG2 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 453, 454, 455,
 &end
#
# 14 PHE QB 15 CYM  HB3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 182, 183,
 &end
#
# 14 PHE QB 15 CYM  HN 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 182, 183,
 &end
#
# 14 PHE QB 16 LYS HN 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 182, 183,
 &end
#
# 14 PHE QB 33 HIS HD2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 182, 183,
 &end
#
# 14 PHE QD 15 CYM  HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 186, 194,
 &end
#
# 14 PHE QD 29 ILE HG12 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 186, 194,
 &end
#
# 14 PHE QD 29 ILE QD1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 186, 194,
 igr2= 460, 461, 462,
 &end
#
# 14 PHE QD 29 ILE QG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 186, 194,
 igr2= 453, 454, 455,
 &end
#
# 14 PHE QD 33 HIS HD2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 186, 194,
 &end
#
# 14 PHE QE 29 ILE QD1 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 188, 192,
 igr2= 460, 461, 462,
 &end
#
# 14 PHE QE 29 ILE QG2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 188, 192,
 igr2= 453, 454, 455,
 &end
#
# 15 CYM  HA 16 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 CYM  HA 33 HIS HE1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 522, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 15 CYM  HB2 16 LYS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 15 CYM  HB2 17 LYS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 230, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 15 CYM  HB2 33 HIS HE1 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 522, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 15 CYM  HB3 16 LYS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 15 CYM  HB3 33 HIS HE1 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 522, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 15 CYM  HN 15 CYM  HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 203, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 15 CYM  HN 15 CYM  HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 15 CYM  HN 16 LYS HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 15 CYM  HN 16 LYS HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 208, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 15 CYM  HN 17 LYS HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 230, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 LYS HA 16 LYS HG2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 16 LYS HA 16 LYS HG3 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 216, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 16 LYS HA 16 LYS QD 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 218, 219,
 &end
#
# 16 LYS HA 16 LYS QG 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 215, 216,
 &end
#
# 16 LYS HN 16 LYS HG2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 215, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 16 LYS HN 16 LYS HG3 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 216, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 16 LYS HN 16 LYS QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 218, 219,
 &end
#
# 16 LYS HN 17 LYS HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 230, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 16 LYS HN 17 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 234, 235,
 &end
#
# 17 LYS HA 17 LYS HG2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 17 LYS HA 17 LYS HG3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 238, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 17 LYS HA 17 LYS QD 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 240, 241,
 &end
#
# 17 LYS HA 17 LYS QG 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 237, 238,
 &end
#
# 17 LYS HA 18 LYS HN 2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 252, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 17 LYS HA 18 LYS QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 256, 257,
 &end
#
# 17 LYS HB2 17 LYS QD 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 240, 241,
 &end
#
# 17 LYS HB2 18 LYS HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 252, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 17 LYS HB2 19 TYR QD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 282, 291,
 &end
#
# 17 LYS HB2 19 TYR QE 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 284, 289,
 &end
#
# 17 LYS HB3 17 LYS QD 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 240, 241,
 &end
#
# 17 LYS HB3 18 LYS HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 252, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 17 LYS HB3 19 TYR QD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 282, 291,
 &end
#
# 17 LYS HB3 19 TYR QE 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 284, 289,
 &end
#
# 17 LYS HG2 17 LYS QE 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 243, 244,
 &end
#
# 17 LYS HG2 18 LYS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 252, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 17 LYS HG3 17 LYS QE 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 243, 244,
 &end
#
# 17 LYS HG3 18 LYS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 17 LYS HN 17 LYS HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 17 LYS HN 17 LYS HB3 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 17 LYS HN 17 LYS HG2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 17 LYS HN 17 LYS HG3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 238, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 17 LYS HN 17 LYS QB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 234, 235,
 &end
#
# 17 LYS HN 17 LYS QD 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 240, 241,
 &end
#
# 17 LYS HN 17 LYS QG 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 237, 238,
 &end
#
# 17 LYS HN 18 LYS HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 252, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 17 LYS HN 19 TYR QE 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 284, 289,
 &end
#
# 17 LYS QB 17 LYS QD 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 234, 235,
 igr2= 240, 241,
 &end
#
# 17 LYS QB 18 LYS HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 234, 235,
 &end
#
# 17 LYS QD 18 LYS HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 240, 241,
 &end
#
# 17 LYS QD 19 TYR QE 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 240, 241,
 igr2= 284, 289,
 &end
#
# 17 LYS QD 28 HIS HE1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 240, 241,
 &end
#
# 17 LYS QG 17 LYS QE 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 237, 238,
 igr2= 243, 244,
 &end
#
# 17 LYS QG 18 LYS HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 237, 238,
 &end
#
# 17 LYS QG 19 TYR QE 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 237, 238,
 igr2= 284, 289,
 &end
#
# 18 LYS HA 18 LYS QD 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 262, 263,
 &end
#
# 18 LYS HA 19 TYR HN 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 274, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 18 LYS HA 19 TYR QD 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 282, 291,
 &end
#
# 18 LYS HG2 18 LYS QE 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 265, 266,
 &end
#
# 18 LYS HG2 19 TYR HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 18 LYS HG3 18 LYS QE 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 265, 266,
 &end
#
# 18 LYS HG3 19 TYR HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 274, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 18 LYS HN 18 LYS HG2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 18 LYS HN 18 LYS HG3 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 18 LYS HN 18 LYS QB 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 256, 257,
 &end
#
# 18 LYS HN 18 LYS QD 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 262, 263,
 &end
#
# 18 LYS QB 18 LYS QE 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 256, 257,
 igr2= 265, 266,
 &end
#
# 18 LYS QB 19 TYR HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 256, 257,
 &end
#
# 18 LYS QG 19 TYR HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 259, 260,
 &end
#
# 19 TYR HA 19 TYR QD 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 282, 291,
 &end
#
# 19 TYR HB2 25 LEU HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 372, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 19 TYR HB2 25 LEU HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 374, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 19 TYR HB2 25 LEU HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 370, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 TYR HB2 25 LEU QD1 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 379, 380, 381,
 &end
#
# 19 TYR HB3 25 LEU HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 372, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 19 TYR HB3 25 LEU HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 374, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 19 TYR HB3 25 LEU HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 370, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 TYR HB3 25 LEU QD1 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 379, 380, 381,
 &end
#
# 19 TYR HN 19 TYR HB2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 19 TYR HN 19 TYR HB3 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 279, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 19 TYR HN 19 TYR QB 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 278, 279,
 &end
#
# 19 TYR HN 19 TYR QD 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 282, 291,
 &end
#
# 19 TYR QB 24 ASN QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 278, 279,
 igr2= 360, 361,
 &end
#
# 19 TYR QB 25 LEU HB2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 278, 279,
 &end
#
# 19 TYR QB 25 LEU HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 278, 279,
 &end
#
# 19 TYR QB 25 LEU HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 278, 279,
 &end
#
# 19 TYR QB 25 LEU QD1 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 278, 279,
 igr2= 379, 380, 381,
 &end
#
# 19 TYR QB 25 LEU QD2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 278, 279,
 igr2= 383, 384, 385,
 &end
#
# 19 TYR QD 24 ASN HB2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 24 ASN HB3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 24 ASN QB 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 282, 291,
 igr2= 360, 361,
 &end
#
# 19 TYR QD 25 LEU HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 25 LEU HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 25 LEU HB3 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 25 LEU HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 25 LEU QD1 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 282, 291,
 igr2= 379, 380, 381,
 &end
#
# 19 TYR QD 25 LEU QD2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 282, 291,
 igr2= 383, 384, 385,
 &end
#
# 19 TYR QE 24 ASN QB 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 284, 289,
 igr2= 360, 361,
 &end
#
# 19 TYR QE 25 LEU HA 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 284, 289,
 &end
#
# 19 TYR QE 25 LEU QD1 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 284, 289,
 igr2= 379, 380, 381,
 &end
#
# 19 TYR QE 28 HIS HB2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 284, 289,
 &end
#
# 19 TYR QE 28 HIS HB3 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 284, 289,
 &end
#
# 19 TYR QE 28 HIS HD2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 284, 289,
 &end
#
# 21 ASP HA 22 VAL HA 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 320, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 21 ASP HA 22 VAL QG1 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 324, 325, 326,
 &end
#
# 21 ASP HA 23 LYS HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 334, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 21 ASP HB2 23 LYS HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 334, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 21 ASP HB2 24 ASN HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 356, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 21 ASP HB3 23 LYS HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 334, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 21 ASP HB3 24 ASN HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 356, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 21 ASP QB 23 LYS HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 310, 311,
 &end
#
# 21 ASP QB 24 ASN HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 310, 311,
 &end
#
# 22 VAL HA 22 VAL QG1 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 324, 325, 326,
 &end
#
# 22 VAL HA 22 VAL QG2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 328, 329, 330,
 &end
#
# 22 VAL HA 24 ASN HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 356, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 22 VAL HA 25 LEU HA 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 22 VAL HA 25 LEU HB2 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 374, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 22 VAL HA 25 LEU HB3 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 375, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 22 VAL HA 25 LEU HG 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 377, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 22 VAL HA 25 LEU HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 370, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 22 VAL HA 25 LEU QD2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 383, 384, 385,
 &end
#
# 22 VAL HA 26 ILE HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 389, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 22 VAL HB 23 LYS HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 334, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 22 VAL HB 26 ILE QD1 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 402, 403, 404,
 &end
#
# 22 VAL HN 22 VAL HB 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 22 VAL HN 22 VAL QG1 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 324, 325, 326,
 &end
#
# 22 VAL HN 22 VAL QG2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 328, 329, 330,
 &end
#
# 22 VAL HN 23 LYS HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 22 VAL QG1 23 LYS HA 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS HG2 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS HG3 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS QB 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 324, 325, 326,
 igr2= 338, 339,
 &end
#
# 22 VAL QG1 23 LYS QD 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 324, 325, 326,
 igr2= 344, 345,
 &end
#
# 22 VAL QG1 23 LYS QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 324, 325, 326,
 igr2= 347, 348,
 &end
#
# 22 VAL QG1 23 LYS QG 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 324, 325, 326,
 igr2= 341, 342,
 &end
#
# 22 VAL QG1 26 ILE QG1 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 324, 325, 326,
 igr2= 399, 400,
 &end
#
# 22 VAL QG2 23 LYS HA 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 23 LYS HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 25 LEU HB2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 25 LEU HB3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 25 LEU HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HA 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HB 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE QG1 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 328, 329, 330,
 igr2= 399, 400,
 &end
#
# 23 LYS HA 23 LYS HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 341, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 23 LYS HA 23 LYS HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 342, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 23 LYS HA 23 LYS QD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 344, 345,
 &end
#
# 23 LYS HA 23 LYS QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 341, 342,
 &end
#
# 23 LYS HA 26 ILE HB 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 393, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 23 LYS HA 26 ILE HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 23 LYS HA 26 ILE QD1 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 402, 403, 404,
 &end
#
# 23 LYS HA 26 ILE QG1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 399, 400,
 &end
#
# 23 LYS HA 26 ILE QG2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 395, 396, 397,
 &end
#
# 23 LYS HB2 23 LYS QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 347, 348,
 &end
#
# 23 LYS HB2 24 ASN HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 356, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 23 LYS HB3 23 LYS QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 347, 348,
 &end
#
# 23 LYS HB3 24 ASN HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 356, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 23 LYS HG2 23 LYS QE 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 347, 348,
 &end
#
# 23 LYS HG3 23 LYS QE 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 347, 348,
 &end
#
# 23 LYS HN 23 LYS HB2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 23 LYS HN 23 LYS HB3 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 23 LYS HN 23 LYS HG2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23 LYS HN 23 LYS HG3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23 LYS HN 23 LYS QB 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2= 338, 339,
 &end
#
# 23 LYS HN 23 LYS QG 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 341, 342,
 &end
#
# 23 LYS HN 24 ASN HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 356, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 23 LYS QB 23 LYS QE 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 338, 339,
 igr2= 347, 348,
 &end
#
# 23 LYS QB 24 ASN HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 338, 339,
 &end
#
# 23 LYS QG 24 ASN HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 341, 342,
 &end
#
# 24 ASN HA 27 LYS HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 408, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 24 ASN HA 27 LYS QB 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 412, 413,
 &end
#
# 24 ASN HB2 25 LEU HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 24 ASN HB2 27 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 412, 413,
 &end
#
# 24 ASN HB3 25 LEU HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 370, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 24 ASN HB3 27 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 412, 413,
 &end
#
# 24 ASN HN 24 ASN QB 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 360, 361,
 &end
#
# 24 ASN HN 25 LEU HB3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 375, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 24 ASN HN 25 LEU HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 370, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 24 ASN HN 26 ILE HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 389, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 24 ASN QB 25 LEU HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 360, 361,
 &end
#
# 24 ASN QB 27 LYS QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 360, 361,
 igr2= 412, 413,
 &end
#
# 25 LEU HA 25 LEU HG 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 25 LEU HA 25 LEU QD1 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 379, 380, 381,
 &end
#
# 25 LEU HA 25 LEU QD2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 383, 384, 385,
 &end
#
# 25 LEU HA 28 HIS HB2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 434, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 25 LEU HA 28 HIS HB3 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 435, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 25 LEU HA 28 HIS HD2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 443, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 25 LEU HA 28 HIS HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 430, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 25 LEU HA 29 ILE HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 447, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 25 LEU HB2 25 LEU QD1 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 379, 380, 381,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 383, 384, 385,
 &end
#
# 25 LEU HB2 26 ILE HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 389, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 25 LEU HB3 25 LEU QD1 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 379, 380, 381,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 383, 384, 385,
 &end
#
# 25 LEU HB3 26 ILE HA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 391, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 25 LEU HB3 26 ILE HB 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 393, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 25 LEU HB3 26 ILE HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 389, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 25 LEU HB3 26 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 402, 403, 404,
 &end
#
# 25 LEU HB3 26 ILE QG1 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 399, 400,
 &end
#
# 25 LEU HG 26 ILE HA 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 391, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 25 LEU HG 26 ILE HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 389, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 25 LEU HG 26 ILE QD1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 402, 403, 404,
 &end
#
# 25 LEU HG 28 HIS HB3 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 435, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 25 LEU HG 29 ILE QD1 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 460, 461, 462,
 &end
#
# 25 LEU HN 25 LEU HB2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 25 LEU HN 25 LEU HB3 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 375, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 25 LEU HN 25 LEU HG 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 377, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 25 LEU HN 25 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 379, 380, 381,
 &end
#
# 25 LEU HN 25 LEU QD2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 383, 384, 385,
 &end
#
# 25 LEU HN 26 ILE HB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU HN 26 ILE HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 389, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 25 LEU HN 27 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 412, 413,
 &end
#
# 25 LEU QD1 26 ILE HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 28 HIS HB2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 28 HIS HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 28 HIS HD2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 28 HIS HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 29 ILE HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 29 ILE HB 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 29 ILE HG12 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 29 ILE HG13 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 29 ILE HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 379, 380, 381,
 &end
#
# 25 LEU QD1 29 ILE QD1 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 379, 380, 381,
 igr2= 460, 461, 462,
 &end
#
# 25 LEU QD2 26 ILE HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 383, 384, 385,
 &end
#
# 25 LEU QD2 29 ILE QD1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 383, 384, 385,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE HA 26 ILE HG12 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 399, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 26 ILE HA 26 ILE HG13 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 400, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 26 ILE HA 26 ILE QD1 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 402, 403, 404,
 &end
#
# 26 ILE HA 26 ILE QG2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 395, 396, 397,
 &end
#
# 26 ILE HA 28 HIS HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 430, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 26 ILE HA 29 ILE HB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 451, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 26 ILE HA 29 ILE HG13 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 458, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 26 ILE HA 29 ILE HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 447, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 26 ILE HA 29 ILE QD1 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE HA 29 ILE QG2 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 453, 454, 455,
 &end
#
# 26 ILE HA 30 ARG HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 466, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 26 ILE HB 26 ILE QD1 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 402, 403, 404,
 &end
#
# 26 ILE HB 27 LYS HN 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 408, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 26 ILE HB 29 ILE QD1 5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE HN 26 ILE HB 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 26 ILE HN 26 ILE HG12 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 399, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 26 ILE HN 26 ILE HG13 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 26 ILE HN 26 ILE QD1 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 402, 403, 404,
 &end
#
# 26 ILE HN 26 ILE QG1 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 399, 400,
 &end
#
# 26 ILE HN 26 ILE QG2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 395, 396, 397,
 &end
#
# 26 ILE HN 27 LYS HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 26 ILE QD1 27 LYS HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 402, 403, 404,
 &end
#
# 26 ILE QG1 27 LYS HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 399, 400,
 &end
#
# 26 ILE QG2 26 ILE HG12 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 26 ILE HG13 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 27 LYS HA 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 27 LYS HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 27 LYS QB 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 395, 396, 397,
 igr2= 412, 413,
 &end
#
# 26 ILE QG2 29 ILE HB 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 29 ILE QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 395, 396, 397,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE QG2 30 ARG HG2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 30 ARG HG3 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 30 ARG QB 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 395, 396, 397,
 igr2= 470, 471,
 &end
#
# 26 ILE QG2 30 ARG QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 395, 396, 397,
 igr2= 476, 477,
 &end
#
# 26 ILE QG2 30 ARG QG 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 395, 396, 397,
 igr2= 473, 474,
 &end
#
# 27 LYS HA 27 LYS HG2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 27 LYS HA 27 LYS HG3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 416, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 27 LYS HA 27 LYS QB 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 412, 413,
 &end
#
# 27 LYS HA 27 LYS QG 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 415, 416,
 &end
#
# 27 LYS HA 30 ARG HG2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 473, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 27 LYS HA 30 ARG HG3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 474, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 27 LYS HA 30 ARG HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 466, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 27 LYS HA 30 ARG QB 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 470, 471,
 &end
#
# 27 LYS HA 30 ARG QD 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 476, 477,
 &end
#
# 27 LYS HA 30 ARG QG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 473, 474,
 &end
#
# 27 LYS HA 31 ASP HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 490, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 27 LYS HN 27 LYS HG2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 415, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 27 LYS HN 27 LYS HG3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 416, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 27 LYS HN 27 LYS QB 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 412, 413,
 &end
#
# 27 LYS HN 27 LYS QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 418, 419,
 &end
#
# 27 LYS HN 27 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 421, 422,
 &end
#
# 27 LYS HN 27 LYS QG 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 415, 416,
 &end
#
# 27 LYS HN 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 LYS HN 28 HIS HB3 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 435, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 27 LYS HN 28 HIS HN 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 430, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 27 LYS QB 27 LYS QD 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 412, 413,
 igr2= 418, 419,
 &end
#
# 27 LYS QB 27 LYS QE 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 412, 413,
 igr2= 421, 422,
 &end
#
# 27 LYS QB 28 HIS HN 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 412, 413,
 &end
#
# 27 LYS QB 30 ARG QG 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 412, 413,
 igr2= 473, 474,
 &end
#
# 27 LYS QG 28 HIS HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 415, 416,
 &end
#
# 28 HIS HA 30 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HA 31 ASP HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 490, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 28 HIS HA 31 ASP QB 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 494, 495,
 &end
#
# 28 HIS HA 32 ALA HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 502, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 28 HIS HA 32 ALA QB 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 506, 507, 508,
 &end
#
# 28 HIS HB2 29 ILE HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 447, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 28 HIS HB3 28 HIS HD2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 443, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 28 HIS HB3 29 ILE HG12 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 HIS HB3 29 ILE HG13 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 458, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 28 HIS HB3 29 ILE HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 447, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 28 HIS HD2 29 ILE HA 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 449, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 28 HIS HD2 29 ILE HB 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 451, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 28 HIS HD2 29 ILE HG12 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 457, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 28 HIS HD2 29 ILE HG13 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 458, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 28 HIS HD2 29 ILE HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 28 HIS HD2 29 ILE QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 460, 461, 462,
 &end
#
# 28 HIS HD2 33 HIS HD2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 525, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 28 HIS HE1 32 ALA QB 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 506, 507, 508,
 &end
#
# 28 HIS HN 28 HIS HB2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 28 HIS HN 28 HIS HB3 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 28 HIS HN 28 HIS HD2 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 443, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 28 HIS HN 29 ILE HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 29 ILE HA 29 ILE HG12 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 29 ILE HA 29 ILE HG13 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 458, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 29 ILE HA 29 ILE QD1 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE HA 29 ILE QG2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 453, 454, 455,
 &end
#
# 29 ILE HA 32 ALA HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 502, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 29 ILE HA 32 ALA QB 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 506, 507, 508,
 &end
#
# 29 ILE HA 33 HIS HD2 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 525, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 29 ILE HA 33 HIS HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 512, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 29 ILE HA 33 HIS QB 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 516, 517,
 &end
#
# 29 ILE HB 29 ILE QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE HB 30 ARG HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 466, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 29 ILE HG12 33 HIS HD2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 525, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 29 ILE HG13 30 ARG HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 466, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 29 ILE HG13 33 HIS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 525, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 29 ILE HN 29 ILE HB 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 29 ILE HN 29 ILE HG12 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 457, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 29 ILE HN 29 ILE HG13 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 458, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 29 ILE HN 29 ILE QD1 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE HN 29 ILE QG2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 453, 454, 455,
 &end
#
# 29 ILE HN 30 ARG HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 29 ILE HN 31 ASP HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 490, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 29 ILE HN 33 HIS HD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 525, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 29 ILE QD1 30 ARG HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 460, 461, 462,
 &end
#
# 29 ILE QD1 33 HIS HD2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 460, 461, 462,
 &end
#
# 29 ILE QG2 29 ILE HG12 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 29 ILE HG13 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 30 ARG HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 30 ARG HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HB2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HB3 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HD2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS QB 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 453, 454, 455,
 igr2= 516, 517,
 &end
#
# 29 ILE QG2 34 ASP HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 34 ASP QB 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 453, 454, 455,
 igr2= 533, 534,
 &end
#
# 29 ILE QG2 35 PRO HD2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 542, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 35 PRO HD3 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 35 PRO QD 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 453, 454, 455,
 igr2= 542, 543,
 &end
#
# 29 ILE QG2 35 PRO QG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 453, 454, 455,
 igr2= 545, 546,
 &end
#
# 30 ARG HA 30 ARG HG2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 30 ARG HA 30 ARG HG3 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 474, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 30 ARG HA 30 ARG QD 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 476, 477,
 &end
#
# 30 ARG HA 30 ARG QG 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 473, 474,
 &end
#
# 30 ARG HA 34 ASP HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 533, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 30 ARG HA 34 ASP HB3 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 534, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 30 ARG HA 34 ASP QB 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 533, 534,
 &end
#
# 30 ARG HA 35 PRO QD 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 542, 543,
 &end
#
# 30 ARG HG2 31 ASP HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 490, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 30 ARG HG3 31 ASP HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 490, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 30 ARG HN 30 ARG HG2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 30 ARG HN 30 ARG HG3 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 30 ARG HN 30 ARG QB 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 470, 471,
 &end
#
# 30 ARG HN 30 ARG QD 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 476, 477,
 &end
#
# 30 ARG HN 30 ARG QG 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2= 473, 474,
 &end
#
# 30 ARG HN 31 ASP HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 ARG HN 31 ASP HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 490, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 30 ARG QB 30 ARG QD 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 470, 471,
 igr2= 476, 477,
 &end
#
# 30 ARG QB 31 ASP HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 470, 471,
 &end
#
# 30 ARG QB 31 ASP HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 470, 471,
 &end
#
# 30 ARG QG 31 ASP HA 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 473, 474,
 &end
#
# 31 ASP HA 32 ALA QB 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 506, 507, 508,
 &end
#
# 31 ASP HB2 32 ALA HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 31 ASP HB2 32 ALA QB 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 506, 507, 508,
 &end
#
# 31 ASP HB3 32 ALA HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 502, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 31 ASP HB3 32 ALA QB 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 506, 507, 508,
 &end
#
# 31 ASP HN 31 ASP HB2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 494, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 31 ASP HN 31 ASP HB3 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 495, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 31 ASP HN 31 ASP QB 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 494, 495,
 &end
#
# 31 ASP HN 32 ALA HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 31 ASP HN 32 ALA QB 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 506, 507, 508,
 &end
#
# 31 ASP HN 33 HIS HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 512, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 31 ASP QB 32 ALA HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 494, 495,
 &end
#
# 31 ASP QB 32 ALA QB 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 494, 495,
 igr2= 506, 507, 508,
 &end
#
# 32 ALA HN 32 ALA QB 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 506, 507, 508,
 &end
#
# 32 ALA HN 33 HIS HD2 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 525, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 32 ALA HN 33 HIS HN 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 512, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 32 ALA QB 33 HIS HD2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 506, 507, 508,
 &end
#
# 32 ALA QB 33 HIS HE1 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 506, 507, 508,
 &end
#
# 32 ALA QB 33 HIS HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 512, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 506, 507, 508,
 &end
#
# 32 ALA QB 34 ASP HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 506, 507, 508,
 &end
#
# 33 HIS HB2 34 ASP HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 529, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 33 HIS HB3 34 ASP HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 529, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 33 HIS HN 33 HIS HB2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 516, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 33 HIS HN 33 HIS HB3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 517, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 33 HIS HN 33 HIS HD2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 525, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 33 HIS HN 33 HIS QB 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 516, 517,
 &end
#
# 33 HIS HN 34 ASP HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 529, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 33 HIS HN 34 ASP QB 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 512,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 533, 534,
 &end
#
# 33 HIS QB 33 HIS HD2 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 516, 517,
 &end
#
# 33 HIS QB 34 ASP HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 516, 517,
 &end
#
# 34 ASP HB2 35 PRO HD2 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 542, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 34 ASP HB2 35 PRO HD3 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 34 ASP HB3 35 PRO HD2 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 542, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 34 ASP HB3 35 PRO HD3 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 543, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 34 ASP HN 34 ASP QB 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 533, 534,
 &end
#
# 34 ASP HN 35 PRO HD2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 542, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 34 ASP HN 35 PRO HD3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 34 ASP HN 35 PRO QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 542, 543,
 &end
#
# 34 ASP QB 35 PRO QD 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 533, 534,
 igr2= 542, 543,
 &end
#
# 35 PRO QD 37 ASP HN 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 542, 543,
 &end
#
# 36 GLN HA 36 GLN QG 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 562, 563,
 &end
#
# 36 GLN HB2 37 ASP HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 572, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 36 GLN HB3 37 ASP HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 572, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 36 GLN HN 36 GLN QB 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 559, 560,
 &end
#
# 36 GLN HN 36 GLN QG 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 562, 563,
 &end
#
# 36 GLN HN 37 ASP HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 572, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 36 GLN QB 37 ASP HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 559, 560,
 &end
#
# 37 ASP HN 37 ASP QB 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 576, 577,
 &end
# 584 atoms read from pdb file leap.pdb.
# 10 GLN CHI1:  (10 GLN N)-(10 GLN CA)-(10 GLN CB)-(10 GLN CG) -90.0 -30.0
 &rst     iat =   109,   111,   113,   116,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 10 GLN PHI:  (9 LYS C)-(10 GLN N)-(10 GLN CA)-(10 GLN C) -130.0 -70.0
 &rst     iat =   107,   109,   111,   124,
   r1 = -131.0, r2 = -130.0, r3 = -70.0, r4 = -69.0,
 &end
# 10 GLN PSI:  (10 GLN N)-(10 GLN CA)-(10 GLN C)-(11 HID N) 102.0 162.0
 &rst     iat =   109,   111,   124,   126,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 11 HIS PHI:  (10 GLN C)-(11 HID N)-(11 HID CA)-(11 HID C) -131.0 -71.0
 &rst     iat =   124,   126,   128,   141,
   r1 = -132.0, r2 = -131.0, r3 = -71.0, r4 = -70.0,
 &end
# 11 HIS PSI:  (11 HID N)-(11 HID CA)-(11 HID C)-(12 CYM N)  91.0 151.0
 &rst     iat =   126,   128,   141,   143,
   r1 =  90.0, r2 =  91.0, r3 = 151.0, r4 = 152.0,
 &end
# 14 PHE CHI1:  (14 PHE N)-(14 PHE CA)-(14 PHE CB)-(14 PHE CG) -90.0 -30.0
 &rst     iat =   177,   179,   181,   184,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 15 CYS CHI1:  (15 CYM N)-(15 CYM CA)-(15 CYM CB)-(15 CYM SG)  30.0  90.0
 &rst     iat =   197,   199,   201,   204,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 16 LYS CHI1:  (16 LYS N)-(16 LYS CA)-(16 LYS CB)-(16 LYS CG) -90.0 -30.0
 &rst     iat =   207,   209,   211,   214,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 18 LYS PHI:  (17 LYS C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -132.0 -72.0
 &rst     iat =   249,   251,   253,   271,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 TYR N) 105.0 165.0
 &rst     iat =   251,   253,   271,   273,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end
# 19 TYR PHI:  (18 LYS C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -133.0 -73.0
 &rst     iat =   271,   273,   275,   292,
   r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
 &end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 SER N)  99.0 159.0
 &rst     iat =   273,   275,   292,   294,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end
# 23 LYS PHI:  (22 VAL C)-(23 LYS N)-(23 LYS CA)-(23 LYS C) -94.0 -34.0
 &rst     iat =   331,   333,   335,   353,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 23 LYS PSI:  (23 LYS N)-(23 LYS CA)-(23 LYS C)-(24 ASN N) -66.5  -6.5
 &rst     iat =   333,   335,   353,   355,
   r1 = -67.5, r2 = -66.5, r3 =  -6.5, r4 =  -5.5,
 &end
# 24 ASN PHI:  (23 LYS C)-(24 ASN N)-(24 ASN CA)-(24 ASN C) -96.4 -36.4
 &rst     iat =   353,   355,   357,   367,
   r1 = -97.4, r2 = -96.4, r3 = -36.4, r4 = -35.4,
 &end
# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 LEU N) -68.1  -8.1
 &rst     iat =   355,   357,   367,   369,
   r1 = -69.1, r2 = -68.1, r3 =  -8.1, r4 =  -7.1,
 &end
# 25 LEU PHI:  (24 ASN C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -99.3 -39.3
 &rst     iat =   367,   369,   371,   386,
   r1 = -100.3, r2 = -99.3, r3 = -39.3, r4 = -38.3,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 ILE N) -71.7 -11.7
 &rst     iat =   369,   371,   386,   388,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end
# 26 ILE PHI:  (25 LEU C)-(26 ILE N)-(26 ILE CA)-(26 ILE C) -97.3 -37.3
 &rst     iat =   386,   388,   390,   405,
   r1 = -98.3, r2 = -97.3, r3 = -37.3, r4 = -36.3,
 &end
# 26 ILE PSI:  (26 ILE N)-(26 ILE CA)-(26 ILE C)-(27 LYS N) -70.5 -10.5
 &rst     iat =   388,   390,   405,   407,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end
# 27 LYS PHI:  (26 ILE C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -93.6 -33.6
 &rst     iat =   405,   407,   409,   427,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end
# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 HID N) -67.3  -7.3
 &rst     iat =   407,   409,   427,   429,
   r1 = -68.3, r2 = -67.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 28 HIS PHI:  (27 LYS C)-(28 HID N)-(28 HID CA)-(28 HID C) -96.9 -36.9
 &rst     iat =   427,   429,   431,   444,
   r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 ILE N) -73.7 -13.7
 &rst     iat =   429,   431,   444,   446,
   r1 = -74.7, r2 = -73.7, r3 = -13.7, r4 = -12.7,
 &end
# 29 ILE PHI:  (28 HID C)-(29 ILE N)-(29 ILE CA)-(29 ILE C) -97.5 -37.5
 &rst     iat =   444,   446,   448,   463,
   r1 = -98.5, r2 = -97.5, r3 = -37.5, r4 = -36.5,
 &end
# 29 ILE PSI:  (29 ILE N)-(29 ILE CA)-(29 ILE C)-(30 ARG N) -67.0  -7.0
 &rst     iat =   446,   448,   463,   465,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 30 ARG PHI:  (29 ILE C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -95.9 -35.9
 &rst     iat =   463,   465,   467,   487,
   r1 = -96.9, r2 = -95.9, r3 = -35.9, r4 = -34.9,
 &end
# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 ASP N) -64.6  -4.6
 &rst     iat =   465,   467,   487,   489,
   r1 = -65.6, r2 = -64.6, r3 =  -4.6, r4 =  -3.6,
 &end
# 33 HIS CHI1:  (33 HID N)-(33 HID CA)-(33 HID CB)-(33 HID CG) -90.0 -30.0
 &rst     iat =   511,   513,   515,   518,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 204, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  12 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 441, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 523, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 584, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 584, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  15 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 441, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   33 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 523, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   38  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 584, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   38  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 584, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   33 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 523, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 584, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  33 HID NE2   38  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 584, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1   9.404 -20.716   2.188
    2    H2   GLY   1           2H       GLY   1   9.385 -20.545   3.817
    3    H3   GLY   1           3H       GLY   1  10.452 -21.570   3.115
    4    HA2  GLY   1           1HA      GLY   1  11.578 -19.560   3.810
    5    HA3  GLY   1           2HA      GLY   1  11.615 -19.763   2.049
    6    H    SER   2           H        SER   2  11.709 -17.318   3.836
    7    HA   SER   2           HA       SER   2   9.222 -15.896   3.530
    8    HB2  SER   2           1HB      SER   2  11.994 -14.820   4.159
    9    HB3  SER   2           2HB      SER   2  10.446 -14.002   4.448
   10    HG   SER   2           HG       SER   2  11.241 -15.047   6.337
   11    H    SER   3           H        SER   3  11.959 -16.219   1.373
   12    HA   SER   3           HA       SER   3  11.204 -13.851  -0.236
   13    HB2  SER   3           1HB      SER   3  13.295 -14.346  -1.471
   14    HB3  SER   3           2HB      SER   3  13.531 -14.023   0.254
   15    HG   SER   3           HG       SER   3  14.734 -15.849  -0.468
   16    H    GLY   4           H        GLY   4  10.749 -13.935  -2.439
   17    HA2  GLY   4           1HA      GLY   4  10.733 -15.969  -4.259
   18    HA3  GLY   4           2HA      GLY   4   9.235 -16.262  -3.374
   19    H    SER   5           H        SER   5   9.189 -15.747  -6.069
   20    HA   SER   5           HA       SER   5   8.386 -12.937  -6.506
   21    HB2  SER   5           1HB      SER   5   8.245 -13.640  -8.875
   22    HB3  SER   5           2HB      SER   5   9.831 -13.934  -8.144
   23    HG   SER   5           HG       SER   5   9.082 -15.738  -9.369
   24    H    SER   6           H        SER   6   6.791 -15.701  -5.459
   25    HA   SER   6           HA       SER   6   4.321 -15.464  -6.936
   26    HB2  SER   6           1HB      SER   6   4.957 -17.054  -4.428
   27    HB3  SER   6           2HB      SER   6   3.536 -17.255  -5.473
   28    HG   SER   6           HG       SER   6   5.202 -18.755  -5.978
   29    H    GLY   7           H        GLY   7   4.258 -13.037  -6.335
   30    HA2  GLY   7           1HA      GLY   7   2.023 -12.676  -4.482
   31    HA3  GLY   7           2HA      GLY   7   3.506 -11.878  -3.956
   32    H    ILE   8           H        ILE   8   1.262 -10.413  -4.412
   33    HA   ILE   8           HA       ILE   8   1.306  -9.240  -7.114
   34    HB   ILE   8           HB       ILE   8  -0.567  -7.895  -6.393
   35   HG12  ILE   8          1HG1      ILE   8  -0.323  -9.204  -3.648
   36   HG13  ILE   8          2HG1      ILE   8   0.081  -7.525  -4.021
   37   HG21  ILE   8          1HG2      ILE   8  -0.850 -10.235  -7.244
   38   HG22  ILE   8          2HG2      ILE   8  -0.994 -10.793  -5.563
   39   HG23  ILE   8          3HG2      ILE   8  -2.189  -9.671  -6.245
   40   HD11  ILE   8          3HD1      ILE   8  -2.288  -7.128  -4.717
   41   HD12  ILE   8          1HD1      ILE   8  -2.687  -8.777  -4.175
   42   HD13  ILE   8          2HD1      ILE   8  -2.105  -7.581  -3.012
   43    H    LYS   9           H        LYS   9   1.295  -6.871  -7.381
   44    HA   LYS   9           HA       LYS   9   3.080  -5.396  -5.481
   45    HB2  LYS   9           1HB      LYS   9   3.163  -5.311  -8.521
   46    HB3  LYS   9           2HB      LYS   9   4.006  -4.181  -7.451
   47    HG2  LYS   9           1HG      LYS   9   5.257  -6.072  -6.428
   48    HG3  LYS   9           2HG      LYS   9   4.482  -7.198  -7.550
   49    HD2  LYS   9           1HD      LYS   9   6.258  -4.854  -8.362
   50    HD3  LYS   9           2HD      LYS   9   6.776  -6.542  -8.235
   51    HE2  LYS   9           1HE      LYS   9   5.089  -7.185  -9.959
   52    HE3  LYS   9           2HE      LYS   9   4.625  -5.487 -10.127
   53    HZ1  LYS   9           3HZ      LYS   9   7.332  -6.575 -10.698
   54    HZ2  LYS   9           1HZ      LYS   9   6.904  -5.004 -10.851
   55    HZ3  LYS   9           2HZ      LYS   9   6.236  -6.132 -11.821
   56    H    GLN  10           H        GLN  10   2.237  -3.638  -4.714
   57    HA   GLN  10           HA       GLN  10   0.093  -2.139  -6.154
   58    HB2  GLN  10           1HB      GLN  10   0.168  -2.960  -3.216
   59    HB3  GLN  10           2HB      GLN  10  -0.970  -1.805  -3.899
   60    HG2  GLN  10           1HG      GLN  10  -0.792  -4.722  -4.754
   61    HG3  GLN  10           2HG      GLN  10  -1.919  -4.078  -3.580
   62   HE21  GLN  10          1HE2      GLN  10  -3.084  -5.377  -5.654
   63   HE22  GLN  10          2HE2      GLN  10  -3.802  -4.212  -6.754
   64    H    HIS  11           H        HIS  11  -0.076   0.158  -5.435
   65    HA   HIS  11           HA       HIS  11   2.439   1.199  -4.239
   66    HB2  HIS  11           1HB      HIS  11   2.887   2.682  -5.989
   67    HB3  HIS  11           2HB      HIS  11   2.627   1.122  -6.753
   68    HD1  HIS  11           1HD      HIS  11   1.270   4.650  -6.664
   69    HD2  HIS  11           2HD      HIS  11   0.135   0.847  -8.067
   70    HE1  HIS  11           1HE      HIS  11  -0.563   5.043  -8.396
   71    H    CYS  12           H        CYS  12   2.426   3.202  -3.338
   72    HA   CYS  12           HA       CYS  12  -0.122   4.297  -2.392
   73    HB2  CYS  12           1HB      CYS  12   1.892   4.165  -0.967
   74    HB3  CYS  12           2HB      CYS  12   2.736   5.260  -2.080
   75    H    ARG  13           H        ARG  13  -0.812   6.327  -2.749
   76    HA   ARG  13           HA       ARG  13  -0.201   7.540  -5.428
   77    HB2  ARG  13           1HB      ARG  13  -2.950   7.326  -4.119
   78    HB3  ARG  13           2HB      ARG  13  -2.556   7.970  -5.723
   79    HG2  ARG  13           1HG      ARG  13  -1.444   5.665  -6.132
   80    HG3  ARG  13           2HG      ARG  13  -2.381   5.090  -4.758
   81    HD2  ARG  13           1HD      ARG  13  -4.459   5.499  -5.880
   82    HD3  ARG  13           2HD      ARG  13  -3.657   6.442  -7.159
   83    HE   ARG  13           HE       ARG  13  -2.484   3.854  -7.107
   84   HH11  ARG  13          2HH1      ARG  13  -5.609   5.158  -7.991
   85   HH12  ARG  13          1HH1      ARG  13  -5.804   4.020  -9.298
   86   HH21  ARG  13          2HH2      ARG  13  -2.691   2.593  -8.853
   87   HH22  ARG  13          1HH2      ARG  13  -4.198   2.541  -9.736
   88    H    PHE  14           H        PHE  14   0.349   8.092  -2.388
   89    HA   PHE  14           HA       PHE  14  -0.091  11.058  -2.470
   90    HB2  PHE  14           1HB      PHE  14  -0.276   9.142  -0.133
   91    HB3  PHE  14           2HB      PHE  14  -0.537  10.876  -0.058
   92    HD1  PHE  14           1HD      PHE  14  -1.934   7.626  -1.295
   93    HD2  PHE  14           2HD      PHE  14  -2.655  11.850  -0.744
   94    HE1  PHE  14           1HE      PHE  14  -4.350   7.272  -1.713
   95    HE2  PHE  14           2HE      PHE  14  -5.069  11.488  -1.199
   96    HZ   PHE  14           HZ       PHE  14  -5.919   9.201  -1.686
   97    H    CYS  15           H        CYS  15   2.100   8.418  -1.535
   98    HA   CYS  15           HA       CYS  15   4.319  10.378  -1.531
   99    HB2  CYS  15           1HB      CYS  15   5.393   9.409   0.355
  100    HB3  CYS  15           2HB      CYS  15   3.785   9.967   0.804
  101    H    LYS  16           H        LYS  16   3.111   7.864  -3.100
  102    HA   LYS  16           HA       LYS  16   3.799   6.402  -4.660
  103    HB2  LYS  16           1HB      LYS  16   6.218   8.206  -4.874
  104    HB3  LYS  16           2HB      LYS  16   5.627   7.081  -6.102
  105    HG2  LYS  16           1HG      LYS  16   3.442   8.333  -6.140
  106    HG3  LYS  16           2HG      LYS  16   4.161   9.554  -5.087
  107    HD2  LYS  16           1HD      LYS  16   5.116   8.761  -7.870
  108    HD3  LYS  16           2HD      LYS  16   4.218  10.219  -7.473
  109    HE2  LYS  16           1HE      LYS  16   7.018   9.548  -6.446
  110    HE3  LYS  16           2HE      LYS  16   6.667  10.579  -7.832
  111    HZ1  LYS  16           3HZ      LYS  16   5.472  12.091  -6.340
  112    HZ2  LYS  16           1HZ      LYS  16   7.018  11.914  -5.859
  113    HZ3  LYS  16           2HZ      LYS  16   5.827  11.159  -5.042
  114    H    LYS  17           H        LYS  17   4.732   5.709  -1.887
  115    HA   LYS  17           HA       LYS  17   6.959   3.877  -2.192
  116    HB2  LYS  17           1HB      LYS  17   4.577   3.946  -0.284
  117    HB3  LYS  17           2HB      LYS  17   5.850   2.731  -0.200
  118    HG2  LYS  17           1HG      LYS  17   7.554   4.572   0.081
  119    HG3  LYS  17           2HG      LYS  17   6.216   5.727   0.148
  120    HD2  LYS  17           1HD      LYS  17   6.716   5.246   2.414
  121    HD3  LYS  17           2HD      LYS  17   5.254   4.307   2.056
  122    HE2  LYS  17           1HE      LYS  17   6.750   2.298   1.624
  123    HE3  LYS  17           2HE      LYS  17   8.127   3.276   2.147
  124    HZ1  LYS  17           3HZ      LYS  17   6.969   3.531   4.314
  125    HZ2  LYS  17           1HZ      LYS  17   7.287   1.965   3.980
  126    HZ3  LYS  17           2HZ      LYS  17   5.769   2.531   3.796
  127    H    LYS  18           H        LYS  18   6.669   1.521  -1.937
  128    HA   LYS  18           HA       LYS  18   4.440   0.363  -3.570
  129    HB2  LYS  18           1HB      LYS  18   7.388  -0.317  -3.807
  130    HB3  LYS  18           2HB      LYS  18   6.075  -1.278  -4.505
  131    HG2  LYS  18           1HG      LYS  18   5.308   0.696  -5.809
  132    HG3  LYS  18           2HG      LYS  18   6.670   1.638  -5.192
  133    HD2  LYS  18           1HD      LYS  18   6.907  -0.909  -6.853
  134    HD3  LYS  18           2HD      LYS  18   7.040   0.742  -7.477
  135    HE2  LYS  18           1HE      LYS  18   8.980   1.152  -5.958
  136    HE3  LYS  18           2HE      LYS  18   8.882  -0.522  -5.396
  137    HZ1  LYS  18           3HZ      LYS  18   9.325  -1.246  -7.682
  138    HZ2  LYS  18           1HZ      LYS  18  10.529  -0.279  -7.159
  139    HZ3  LYS  18           2HZ      LYS  18   9.417   0.302  -8.201
  140    H    TYR  19           H        TYR  19   3.649  -1.551  -2.997
  141    HA   TYR  19           HA       TYR  19   4.529  -2.823  -0.445
  142    HB2  TYR  19           1HB      TYR  19   1.842  -1.623  -1.159
  143    HB3  TYR  19           2HB      TYR  19   1.951  -2.954  -0.019
  144    HD1  TYR  19           1HD      TYR  19   2.802   0.627  -0.539
  145    HD2  TYR  19           2HD      TYR  19   2.984  -2.741   2.148
  146    HE1  TYR  19           1HE      TYR  19   3.537   2.134   1.316
  147    HE2  TYR  19           2HE      TYR  19   3.683  -1.240   3.997
  148    HH   TYR  19           HH       TYR  19   4.227   0.877   4.605
  149    H    SER  20           H        SER  20   4.110  -4.980  -0.210
  150    HA   SER  20           HA       SER  20   3.679  -6.512  -2.665
  151    HB2  SER  20           1HB      SER  20   4.301  -7.489   0.139
  152    HB3  SER  20           2HB      SER  20   4.438  -8.412  -1.370
  153    HG   SER  20           HG       SER  20   6.461  -7.557  -0.689
  154    H    ASP  21           H        ASP  21   1.494  -5.359  -0.408
  155    HA   ASP  21           HA       ASP  21  -0.573  -7.243  -1.275
  156    HB2  ASP  21           1HB      ASP  21   0.498  -8.224   0.829
  157    HB3  ASP  21           2HB      ASP  21  -0.114  -6.823   1.704
  158    H    VAL  22           H        VAL  22  -2.615  -6.296  -1.305
  159    HA   VAL  22           HA       VAL  22  -2.718  -3.427  -1.292
  160    HB   VAL  22           HB       VAL  22  -4.026  -5.007  -2.744
  161   HG11  VAL  22          1HG1      VAL  22  -6.181  -5.822  -2.061
  162   HG12  VAL  22          2HG1      VAL  22  -4.955  -6.493  -0.975
  163   HG13  VAL  22          3HG1      VAL  22  -5.994  -5.151  -0.433
  164   HG21  VAL  22          3HG2      VAL  22  -5.596  -2.803  -1.350
  165   HG22  VAL  22          1HG2      VAL  22  -4.445  -2.582  -2.681
  166   HG23  VAL  22          2HG2      VAL  22  -5.941  -3.492  -2.950
  167    H    LYS  23           H        LYS  23  -3.596  -5.817   1.160
  168    HA   LYS  23           HA       LYS  23  -5.058  -3.912   2.852
  169    HB2  LYS  23           1HB      LYS  23  -3.761  -6.567   3.599
  170    HB3  LYS  23           2HB      LYS  23  -4.919  -5.664   4.568
  171    HG2  LYS  23           1HG      LYS  23  -5.482  -6.974   1.870
  172    HG3  LYS  23           2HG      LYS  23  -5.974  -7.564   3.456
  173    HD2  LYS  23           1HD      LYS  23  -7.367  -5.510   3.776
  174    HD3  LYS  23           2HD      LYS  23  -6.933  -4.986   2.131
  175    HE2  LYS  23           1HE      LYS  23  -7.897  -7.069   1.202
  176    HE3  LYS  23           2HE      LYS  23  -8.317  -7.613   2.831
  177    HZ1  LYS  23           3HZ      LYS  23  -9.798  -5.685   3.024
  178    HZ2  LYS  23           1HZ      LYS  23 -10.218  -6.585   1.731
  179    HZ3  LYS  23           2HZ      LYS  23  -9.415  -5.182   1.515
  180    H    ASN  24           H        ASN  24  -1.673  -4.911   2.587
  181    HA   ASN  24           HA       ASN  24  -0.807  -3.409   4.916
  182    HB2  ASN  24           1HB      ASN  24   0.375  -5.387   3.737
  183    HB3  ASN  24           2HB      ASN  24   0.918  -4.210   2.542
  184   HD21  ASN  24          1HD2      ASN  24   3.015  -5.232   3.489
  185   HD22  ASN  24          2HD2      ASN  24   3.698  -4.374   4.861
  186    H    LEU  25           H        LEU  25  -1.012  -2.686   1.403
  187    HA   LEU  25           HA       LEU  25  -0.099   0.017   1.524
  188    HB2  LEU  25           1HB      LEU  25  -0.350  -1.094  -0.597
  189    HB3  LEU  25           2HB      LEU  25  -2.049  -1.431  -0.298
  190    HG   LEU  25           HG       LEU  25  -2.610   0.956  -0.435
  191   HD11  LEU  25          1HD1      LEU  25   0.348   1.326  -1.143
  192   HD12  LEU  25          2HD1      LEU  25  -0.455   1.969   0.303
  193   HD13  LEU  25          3HD1      LEU  25  -0.916   2.564  -1.290
  194   HD21  LEU  25          3HD2      LEU  25  -0.960   0.105  -2.820
  195   HD22  LEU  25          1HD2      LEU  25  -2.330   1.227  -2.798
  196   HD23  LEU  25          2HD2      LEU  25  -2.605  -0.490  -2.464
  197    H    ILE  26           H        ILE  26  -3.473  -1.269   1.893
  198    HA   ILE  26           HA       ILE  26  -4.623   1.303   2.355
  199    HB   ILE  26           HB       ILE  26  -5.554  -1.507   2.952
  200   HG12  ILE  26          1HG1      ILE  26  -6.617   0.606   1.011
  201   HG13  ILE  26          2HG1      ILE  26  -5.319  -0.488   0.564
  202   HG21  ILE  26          1HG2      ILE  26  -6.648  -0.104   4.651
  203   HG22  ILE  26          2HG2      ILE  26  -7.094   1.093   3.415
  204   HG23  ILE  26          3HG2      ILE  26  -7.819  -0.530   3.411
  205   HD11  ILE  26          3HD1      ILE  26  -6.787  -2.441   0.993
  206   HD12  ILE  26          1HD1      ILE  26  -8.140  -1.325   1.313
  207   HD13  ILE  26          2HD1      ILE  26  -7.375  -1.361  -0.286
  208    H    LYS  27           H        LYS  27  -3.281  -1.063   4.683
  209    HA   LYS  27           HA       LYS  27  -3.782   0.424   7.070
  210    HB2  LYS  27           1HB      LYS  27  -3.040  -1.946   6.968
  211    HB3  LYS  27           2HB      LYS  27  -1.469  -1.422   6.355
  212    HG2  LYS  27           1HG      LYS  27  -1.101  -0.158   8.511
  213    HG3  LYS  27           2HG      LYS  27  -2.662  -0.759   9.082
  214    HD2  LYS  27           1HD      LYS  27  -0.925  -2.124  10.036
  215    HD3  LYS  27           2HD      LYS  27  -1.788  -3.109   8.843
  216    HE2  LYS  27           1HE      LYS  27   0.017  -2.643   7.177
  217    HE3  LYS  27           2HE      LYS  27   0.853  -1.639   8.363
  218    HZ1  LYS  27           3HZ      LYS  27   0.326  -4.548   8.679
  219    HZ2  LYS  27           1HZ      LYS  27   1.140  -3.614   9.748
  220    HZ3  LYS  27           2HZ      LYS  27   1.759  -3.890   8.261
  221    H    HIS  28           H        HIS  28  -1.034   0.646   4.763
  222    HA   HIS  28           HA       HIS  28   0.330   2.772   6.131
  223    HB2  HIS  28           1HB      HIS  28   1.538   1.581   4.508
  224    HB3  HIS  28           2HB      HIS  28   0.310   1.769   3.273
  225    HD1  HIS  28           1HD      HIS  28   2.861   4.013   5.125
  226    HD2  HIS  28           2HD      HIS  28   0.498   3.809   1.656
  227    HE1  HIS  28           1HE      HIS  28   3.511   6.029   3.732
  228    H    ILE  29           H        ILE  29  -2.107   2.929   3.463
  229    HA   ILE  29           HA       ILE  29  -2.198   5.744   3.279
  230    HB   ILE  29           HB       ILE  29  -4.296   3.642   2.663
  231   HG12  ILE  29          1HG1      ILE  29  -2.592   5.345   0.780
  232   HG13  ILE  29          2HG1      ILE  29  -2.095   3.756   1.336
  233   HG21  ILE  29          1HG2      ILE  29  -4.379   6.620   1.979
  234   HG22  ILE  29          2HG2      ILE  29  -5.497   5.394   1.352
  235   HG23  ILE  29          3HG2      ILE  29  -5.502   5.758   3.060
  236   HD11  ILE  29          3HD1      ILE  29  -3.081   3.515  -0.844
  237   HD12  ILE  29          1HD1      ILE  29  -4.170   2.764   0.341
  238   HD13  ILE  29          2HD1      ILE  29  -4.551   4.357  -0.357
  239    H    ARG  30           H        ARG  30  -4.359   3.657   5.287
  240    HA   ARG  30           HA       ARG  30  -5.756   5.930   6.386
  241    HB2  ARG  30           1HB      ARG  30  -6.950   4.369   7.694
  242    HB3  ARG  30           2HB      ARG  30  -6.601   3.559   6.161
  243    HG2  ARG  30           1HG      ARG  30  -4.610   2.473   7.352
  244    HG3  ARG  30           2HG      ARG  30  -5.280   3.102   8.862
  245    HD2  ARG  30           1HD      ARG  30  -7.425   1.905   8.358
  246    HD3  ARG  30           2HD      ARG  30  -6.662   1.235   6.902
  247    HE   ARG  30           HE       ARG  30  -5.254   0.756   9.456
  248   HH11  ARG  30          1HH1      ARG  30  -7.577  -0.621   7.224
  249   HH12  ARG  30          2HH1      ARG  30  -7.294  -2.244   7.790
  250   HH21  ARG  30          2HH2      ARG  30  -4.980  -1.334  10.162
  251   HH22  ARG  30          1HH2      ARG  30  -5.867  -2.626   9.412
  252    H    ASP  31           H        ASP  31  -2.693   4.666   7.274
  253    HA   ASP  31           HA       ASP  31  -2.732   5.974   9.931
  254    HB2  ASP  31           1HB      ASP  31  -1.678   3.762   9.619
  255    HB3  ASP  31           2HB      ASP  31  -0.540   4.459   8.468
  256    H    ALA  32           H        ALA  32  -1.048   6.325   6.784
  257    HA   ALA  32           HA       ALA  32   0.412   8.685   7.756
  258    HB1  ALA  32           1HB      ALA  32   1.542   6.798   6.626
  259    HB2  ALA  32           2HB      ALA  32   0.606   7.128   5.149
  260    HB3  ALA  32           3HB      ALA  32   1.762   8.329   5.756
  261    H    HIS  33           H        HIS  33  -2.311   8.138   5.590
  262    HA   HIS  33           HA       HIS  33  -2.116  10.964   4.585
  263    HB2  HIS  33           1HB      HIS  33  -2.982   8.520   3.008
  264    HB3  HIS  33           2HB      HIS  33  -2.774  10.159   2.402
  265    HD1  HIS  33           1HD      HIS  33   0.099  10.915   3.236
  266    HD2  HIS  33           2HD      HIS  33  -1.079   7.062   2.054
  267    HE1  HIS  33           1HE      HIS  33   2.214   9.763   2.435
  268    H    ASP  34           H        ASP  34  -4.337   8.262   5.186
  269    HA   ASP  34           HA       ASP  34  -6.587   8.081   5.272
  270    HB2  ASP  34           1HB      ASP  34  -5.809   8.540   7.519
  271    HB3  ASP  34           2HB      ASP  34  -6.115  10.258   7.303
  272    HA   PRO  35           HA       PRO  35  -7.640  11.626   2.463
  273    HB2  PRO  35           1HB      PRO  35  -8.378  10.236   0.228
  274    HB3  PRO  35           2HB      PRO  35  -6.672  10.519   0.684
  275    HG2  PRO  35           1HG      PRO  35  -8.363   8.062   1.283
  276    HG3  PRO  35           2HG      PRO  35  -6.745   8.119   0.506
  277    HD2  PRO  35           1HD      PRO  35  -7.012   7.653   3.157
  278    HD3  PRO  35           2HD      PRO  35  -5.684   8.686   2.541
  279    H    GLN  36           H        GLN  36  -9.490   9.348   4.084
  280    HA   GLN  36           HA       GLN  36 -12.095   9.939   2.878
  281    HB2  GLN  36           1HB      GLN  36 -11.388   8.477   5.451
  282    HB3  GLN  36           2HB      GLN  36 -12.965   8.503   4.668
  283    HG2  GLN  36           1HG      GLN  36 -10.421   7.231   3.561
  284    HG3  GLN  36           2HG      GLN  36 -11.826   6.399   4.211
  285   HE21  GLN  36          1HE2      GLN  36 -13.971   6.761   2.987
  286   HE22  GLN  36          2HE2      GLN  36 -13.835   6.959   1.246
  287    H    ASP  37           H        ASP  37 -10.116  11.622   5.078
  288    HA   ASP  37           HA       ASP  37 -12.111  12.772   6.824
  289    HB2  ASP  37           1HB      ASP  37  -9.745  12.595   7.426
  290    HB3  ASP  37           2HB      ASP  37  -9.301  13.673   6.108
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1   5.063  -1.519 -22.660
    2    H2   GLY   1           2H       GLY   1   4.205  -0.499 -21.709
    3    H3   GLY   1           3H       GLY   1   4.171  -0.322 -23.337
    4    HA2  GLY   1           1HA      GLY   1   2.122  -1.328 -22.578
    5    HA3  GLY   1           2HA      GLY   1   3.045  -2.417 -23.628
    6    H    SER   2           H        SER   2   1.058  -3.144 -21.653
    7    HA   SER   2           HA       SER   2   2.593  -5.146 -20.122
    8    HB2  SER   2           1HB      SER   2   1.393  -4.655 -18.032
    9    HB3  SER   2           2HB      SER   2   2.421  -3.306 -18.534
   10    HG   SER   2           HG       SER   2   0.337  -2.596 -17.874
   11    H    SER   3           H        SER   3   1.152  -6.774 -19.114
   12    HA   SER   3           HA       SER   3  -1.513  -7.160 -20.370
   13    HB2  SER   3           1HB      SER   3   0.257  -8.090 -21.913
   14    HB3  SER   3           2HB      SER   3   0.735  -9.198 -20.615
   15    HG   SER   3           HG       SER   3  -0.788 -10.102 -22.130
   16    H    GLY   4           H        GLY   4  -2.360  -9.439 -19.535
   17    HA2  GLY   4           1HA      GLY   4  -2.525  -9.445 -16.654
   18    HA3  GLY   4           2HA      GLY   4  -3.041 -10.742 -17.742
   19    H    SER   5           H        SER   5  -0.286 -11.003 -18.907
   20    HA   SER   5           HA       SER   5   0.943 -12.817 -17.007
   21    HB2  SER   5           1HB      SER   5   2.651 -13.071 -18.787
   22    HB3  SER   5           2HB      SER   5   0.995 -13.313 -19.365
   23    HG   SER   5           HG       SER   5   2.240 -11.963 -20.767
   24    H    SER   6           H        SER   6   1.243  -9.380 -17.421
   25    HA   SER   6           HA       SER   6   3.953  -9.124 -16.396
   26    HB2  SER   6           1HB      SER   6   1.718  -7.069 -16.379
   27    HB3  SER   6           2HB      SER   6   3.448  -6.762 -16.215
   28    HG   SER   6           HG       SER   6   3.723  -7.550 -18.361
   29    H    GLY   7           H        GLY   7   0.977  -9.929 -14.887
   30    HA2  GLY   7           1HA      GLY   7   0.503 -10.444 -12.686
   31    HA3  GLY   7           2HA      GLY   7   2.132  -9.969 -12.219
   32    H    ILE   8           H        ILE   8   0.487  -9.339 -10.406
   33    HA   ILE   8           HA       ILE   8  -0.635  -6.615 -10.764
   34    HB   ILE   8           HB       ILE   8  -1.689  -6.921  -8.597
   35   HG12  ILE   8          1HG1      ILE   8  -0.589  -9.770  -8.608
   36   HG13  ILE   8          2HG1      ILE   8  -0.004  -8.466  -7.572
   37   HG21  ILE   8          1HG2      ILE   8  -2.780  -7.578 -10.749
   38   HG22  ILE   8          2HG2      ILE   8  -2.271  -9.256 -10.465
   39   HG23  ILE   8          3HG2      ILE   8  -3.400  -8.457  -9.351
   40   HD11  ILE   8          3HD1      ILE   8  -2.787  -9.691  -7.504
   41   HD12  ILE   8          1HD1      ILE   8  -1.505  -9.841  -6.293
   42   HD13  ILE   8          2HD1      ILE   8  -2.280  -8.267  -6.559
   43    H    LYS   9           H        LYS   9  -0.281  -4.953  -9.247
   44    HA   LYS   9           HA       LYS   9   2.196  -4.987  -7.616
   45    HB2  LYS   9           1HB      LYS   9   2.823  -4.264  -9.922
   46    HB3  LYS   9           2HB      LYS   9   1.639  -2.957  -9.831
   47    HG2  LYS   9           1HG      LYS   9   2.912  -1.917  -7.976
   48    HG3  LYS   9           2HG      LYS   9   4.058  -3.275  -7.991
   49    HD2  LYS   9           1HD      LYS   9   4.685  -2.710 -10.329
   50    HD3  LYS   9           2HD      LYS   9   3.533  -1.358 -10.310
   51    HE2  LYS   9           1HE      LYS   9   4.791  -0.316  -8.436
   52    HE3  LYS   9           2HE      LYS   9   5.935  -1.668  -8.453
   53    HZ1  LYS   9           3HZ      LYS   9   5.488   0.204 -10.722
   54    HZ2  LYS   9           1HZ      LYS   9   6.550  -1.036 -10.726
   55    HZ3  LYS   9           2HZ      LYS   9   6.779   0.233  -9.728
   56    H    GLN  10           H        GLN  10   2.153  -3.524  -5.905
   57    HA   GLN  10           HA       GLN  10  -0.270  -1.806  -5.573
   58    HB2  GLN  10           1HB      GLN  10   0.982  -3.605  -3.460
   59    HB3  GLN  10           2HB      GLN  10  -0.276  -2.415  -3.155
   60    HG2  GLN  10           1HG      GLN  10  -0.550  -4.867  -4.954
   61    HG3  GLN  10           2HG      GLN  10  -1.161  -4.720  -3.321
   62   HE21  GLN  10          1HE2      GLN  10  -2.885  -5.400  -5.441
   63   HE22  GLN  10          2HE2      GLN  10  -3.980  -4.049  -5.686
   64    H    HIS  11           H        HIS  11   0.224   0.239  -5.274
   65    HA   HIS  11           HA       HIS  11   2.567   0.991  -3.681
   66    HB2  HIS  11           1HB      HIS  11   3.456   2.545  -5.273
   67    HB3  HIS  11           2HB      HIS  11   3.386   0.959  -6.025
   68    HD1  HIS  11           1HD      HIS  11   1.571   4.382  -6.146
   69    HD2  HIS  11           2HD      HIS  11   1.893   0.733  -8.232
   70    HE1  HIS  11           1HE      HIS  11   0.395   4.726  -8.382
   71    H    CYS  12           H        CYS  12   2.519   3.093  -2.842
   72    HA   CYS  12           HA       CYS  12  -0.057   4.164  -2.151
   73    HB2  CYS  12           1HB      CYS  12   1.862   4.208  -0.693
   74    HB3  CYS  12           2HB      CYS  12   2.752   5.249  -1.826
   75    H    ARG  13           H        ARG  13  -1.020   5.971  -2.702
   76    HA   ARG  13           HA       ARG  13  -0.706   7.028  -5.464
   77    HB2  ARG  13           1HB      ARG  13  -2.885   6.266  -4.729
   78    HB3  ARG  13           2HB      ARG  13  -2.804   7.252  -3.270
   79    HG2  ARG  13           1HG      ARG  13  -2.995   9.311  -4.586
   80    HG3  ARG  13           2HG      ARG  13  -2.997   8.372  -6.100
   81    HD2  ARG  13           1HD      ARG  13  -5.074   7.274  -5.484
   82    HD3  ARG  13           2HD      ARG  13  -4.988   7.936  -3.843
   83    HE   ARG  13           HE       ARG  13  -5.109   9.961  -5.965
   84   HH11  ARG  13          2HH1      ARG  13  -7.059   8.006  -3.816
   85   HH12  ARG  13          1HH1      ARG  13  -8.344   9.184  -3.723
   86   HH21  ARG  13          1HH2      ARG  13  -6.872  11.344  -5.981
   87   HH22  ARG  13          2HH2      ARG  13  -8.329  10.910  -5.119
   88    H    PHE  14           H        PHE  14  -0.141   7.999  -2.155
   89    HA   PHE  14           HA       PHE  14   0.010  10.876  -2.902
   90    HB2  PHE  14           1HB      PHE  14  -0.134   9.577  -0.182
   91    HB3  PHE  14           2HB      PHE  14  -0.371  11.277  -0.552
   92    HD1  PHE  14           2HD      PHE  14  -2.404  11.912  -2.045
   93    HD2  PHE  14           1HD      PHE  14  -1.934   8.025  -0.235
   94    HE1  PHE  14           2HE      PHE  14  -4.820  11.448  -2.401
   95    HE2  PHE  14           1HE      PHE  14  -4.346   7.568  -0.586
   96    HZ   PHE  14           HZ       PHE  14  -5.790   9.276  -1.678
   97    H    CYS  15           H        CYS  15   2.054   8.321  -1.532
   98    HA   CYS  15           HA       CYS  15   4.372  10.170  -1.766
   99    HB2  CYS  15           1HB      CYS  15   5.382   9.413   0.199
  100    HB3  CYS  15           2HB      CYS  15   3.773  10.019   0.570
  101    H    LYS  16           H        LYS  16   3.104   7.606  -3.143
  102    HA   LYS  16           HA       LYS  16   3.777   6.041  -4.633
  103    HB2  LYS  16           1HB      LYS  16   6.225   7.796  -4.923
  104    HB3  LYS  16           2HB      LYS  16   5.582   6.680  -6.118
  105    HG2  LYS  16           1HG      LYS  16   4.255   9.247  -5.160
  106    HG3  LYS  16           2HG      LYS  16   5.039   8.952  -6.711
  107    HD2  LYS  16           1HD      LYS  16   3.308   7.113  -7.117
  108    HD3  LYS  16           2HD      LYS  16   2.429   7.733  -5.714
  109    HE2  LYS  16           1HE      LYS  16   3.192   9.379  -8.169
  110    HE3  LYS  16           2HE      LYS  16   1.635   8.574  -7.962
  111    HZ1  LYS  16           3HZ      LYS  16   1.542  10.910  -7.306
  112    HZ2  LYS  16           1HZ      LYS  16   2.666  10.689  -6.147
  113    HZ3  LYS  16           2HZ      LYS  16   1.196   9.956  -6.032
  114    H    LYS  17           H        LYS  17   4.872   5.585  -1.809
  115    HA   LYS  17           HA       LYS  17   7.103   3.775  -2.056
  116    HB2  LYS  17           1HB      LYS  17   4.849   4.059  -0.028
  117    HB3  LYS  17           2HB      LYS  17   6.184   2.912   0.166
  118    HG2  LYS  17           1HG      LYS  17   7.801   4.765   0.152
  119    HG3  LYS  17           2HG      LYS  17   6.483   5.914  -0.156
  120    HD2  LYS  17           1HD      LYS  17   5.425   5.207   2.022
  121    HD3  LYS  17           2HD      LYS  17   6.826   4.178   2.325
  122    HE2  LYS  17           1HE      LYS  17   6.998   6.294   3.546
  123    HE3  LYS  17           2HE      LYS  17   8.310   6.138   2.375
  124    HZ1  LYS  17           3HZ      LYS  17   7.210   7.679   0.938
  125    HZ2  LYS  17           1HZ      LYS  17   7.161   8.367   2.421
  126    HZ3  LYS  17           2HZ      LYS  17   5.820   7.654   1.779
  127    H    LYS  18           H        LYS  18   7.098   1.520  -1.965
  128    HA   LYS  18           HA       LYS  18   4.844   0.202  -3.452
  129    HB2  LYS  18           1HB      LYS  18   7.777  -0.569  -3.275
  130    HB3  LYS  18           2HB      LYS  18   6.524  -1.488  -4.122
  131    HG2  LYS  18           1HG      LYS  18   6.055   0.507  -5.560
  132    HG3  LYS  18           2HG      LYS  18   7.401   1.359  -4.802
  133    HD2  LYS  18           1HD      LYS  18   7.571  -1.240  -6.387
  134    HD3  LYS  18           2HD      LYS  18   8.012   0.351  -6.993
  135    HE2  LYS  18           1HE      LYS  18   9.386  -1.073  -4.664
  136    HE3  LYS  18           2HE      LYS  18   9.951  -1.091  -6.332
  137    HZ1  LYS  18           3HZ      LYS  18   9.703   1.359  -4.669
  138    HZ2  LYS  18           1HZ      LYS  18  10.204   1.328  -6.226
  139    HZ3  LYS  18           2HZ      LYS  18  11.096   0.612  -5.067
  140    H    TYR  19           H        TYR  19   3.970  -1.723  -2.844
  141    HA   TYR  19           HA       TYR  19   4.571  -2.712  -0.089
  142    HB2  TYR  19           1HB      TYR  19   1.897  -1.851  -1.238
  143    HB3  TYR  19           2HB      TYR  19   2.060  -2.818   0.227
  144    HD1  TYR  19           1HD      TYR  19   2.587   0.530  -1.245
  145    HD2  TYR  19           2HD      TYR  19   3.099  -1.921   2.269
  146    HE1  TYR  19           1HE      TYR  19   3.305   2.530   0.054
  147    HE2  TYR  19           2HE      TYR  19   3.810   0.075   3.562
  148    HH   TYR  19           HH       TYR  19   4.358   2.300   3.465
  149    H    SER  20           H        SER  20   3.955  -4.778   0.456
  150    HA   SER  20           HA       SER  20   4.179  -6.737  -1.681
  151    HB2  SER  20           1HB      SER  20   4.265  -8.311   0.276
  152    HB3  SER  20           2HB      SER  20   5.476  -7.019   0.304
  153    HG   SER  20           HG       SER  20   4.501  -7.234   2.334
  154    H    ASP  21           H        ASP  21   1.511  -5.405   0.094
  155    HA   ASP  21           HA       ASP  21  -0.409  -7.215  -1.205
  156    HB2  ASP  21           1HB      ASP  21   0.357  -8.266   1.020
  157    HB3  ASP  21           2HB      ASP  21  -0.411  -6.903   1.826
  158    H    VAL  22           H        VAL  22  -2.549  -6.316  -1.258
  159    HA   VAL  22           HA       VAL  22  -2.698  -3.445  -1.254
  160    HB   VAL  22           HB       VAL  22  -4.019  -5.026  -2.677
  161   HG11  VAL  22          1HG1      VAL  22  -6.131  -5.913  -1.931
  162   HG12  VAL  22          2HG1      VAL  22  -4.844  -6.572  -0.909
  163   HG13  VAL  22          3HG1      VAL  22  -5.895  -5.272  -0.297
  164   HG21  VAL  22          3HG2      VAL  22  -5.618  -2.905  -1.194
  165   HG22  VAL  22          1HG2      VAL  22  -4.506  -2.616  -2.546
  166   HG23  VAL  22          2HG2      VAL  22  -5.977  -3.569  -2.802
  167    H    LYS  23           H        LYS  23  -3.474  -5.865   1.190
  168    HA   LYS  23           HA       LYS  23  -4.876  -4.071   3.010
  169    HB2  LYS  23           1HB      LYS  23  -3.405  -6.690   3.508
  170    HB3  LYS  23           2HB      LYS  23  -4.412  -5.849   4.694
  171    HG2  LYS  23           1HG      LYS  23  -6.375  -6.025   3.212
  172    HG3  LYS  23           2HG      LYS  23  -5.425  -6.870   1.995
  173    HD2  LYS  23           1HD      LYS  23  -6.021  -7.854   4.814
  174    HD3  LYS  23           2HD      LYS  23  -6.811  -8.406   3.342
  175    HE2  LYS  23           1HE      LYS  23  -3.871  -8.798   4.067
  176    HE3  LYS  23           2HE      LYS  23  -5.141 -10.022   4.129
  177    HZ1  LYS  23           3HZ      LYS  23  -4.092  -8.703   1.681
  178    HZ2  LYS  23           1HZ      LYS  23  -5.390  -9.725   1.682
  179    HZ3  LYS  23           2HZ      LYS  23  -3.897 -10.254   2.093
  180    H    ASN  24           H        ASN  24  -1.447  -4.951   2.618
  181    HA   ASN  24           HA       ASN  24  -0.516  -3.400   4.893
  182    HB2  ASN  24           1HB      ASN  24   0.917  -4.440   2.406
  183    HB3  ASN  24           2HB      ASN  24   1.719  -3.650   3.759
  184   HD21  ASN  24          1HD2      ASN  24   2.426  -6.284   2.967
  185   HD22  ASN  24          2HD2      ASN  24   1.926  -7.341   4.275
  186    H    LEU  25           H        LEU  25  -0.921  -2.675   1.412
  187    HA   LEU  25           HA       LEU  25  -0.050   0.042   1.506
  188    HB2  LEU  25           1HB      LEU  25  -0.292  -1.110  -0.580
  189    HB3  LEU  25           2HB      LEU  25  -1.980  -1.487  -0.267
  190    HG   LEU  25           HG       LEU  25  -2.627   0.855  -0.493
  191   HD11  LEU  25          1HD1      LEU  25  -1.028   2.527  -1.309
  192   HD12  LEU  25          2HD1      LEU  25   0.311   1.373  -1.153
  193   HD13  LEU  25          3HD1      LEU  25  -0.531   1.975   0.286
  194   HD21  LEU  25          3HD2      LEU  25  -0.859  -0.067  -2.787
  195   HD22  LEU  25          1HD2      LEU  25  -2.183   1.110  -2.882
  196   HD23  LEU  25          2HD2      LEU  25  -2.538  -0.585  -2.497
  197    H    ILE  26           H        ILE  26  -3.399  -1.301   1.964
  198    HA   ILE  26           HA       ILE  26  -4.564   1.267   2.437
  199    HB   ILE  26           HB       ILE  26  -5.474  -1.545   3.063
  200   HG12  ILE  26          1HG1      ILE  26  -6.545   0.549   1.103
  201   HG13  ILE  26          2HG1      ILE  26  -5.276  -0.578   0.659
  202   HG21  ILE  26          1HG2      ILE  26  -7.004   1.066   3.504
  203   HG22  ILE  26          2HG2      ILE  26  -7.734  -0.555   3.538
  204   HG23  ILE  26          3HG2      ILE  26  -6.549  -0.111   4.756
  205   HD11  ILE  26          3HD1      ILE  26  -6.783  -2.493   1.155
  206   HD12  ILE  26          1HD1      ILE  26  -8.105  -1.338   1.462
  207   HD13  ILE  26          2HD1      ILE  26  -7.363  -1.430  -0.143
  208    H    LYS  27           H        LYS  27  -3.161  -1.093   4.740
  209    HA   LYS  27           HA       LYS  27  -3.702   0.383   7.144
  210    HB2  LYS  27           1HB      LYS  27  -1.532  -1.602   6.358
  211    HB3  LYS  27           2HB      LYS  27  -1.620  -0.895   7.974
  212    HG2  LYS  27           1HG      LYS  27  -3.793  -1.837   8.393
  213    HG3  LYS  27           2HG      LYS  27  -3.959  -2.397   6.727
  214    HD2  LYS  27           1HD      LYS  27  -1.998  -3.908   7.045
  215    HD3  LYS  27           2HD      LYS  27  -1.867  -3.361   8.732
  216    HE2  LYS  27           1HE      LYS  27  -4.181  -4.189   9.158
  217    HE3  LYS  27           2HE      LYS  27  -4.285  -4.748   7.483
  218    HZ1  LYS  27           3HZ      LYS  27  -2.412  -6.254   7.952
  219    HZ2  LYS  27           1HZ      LYS  27  -3.648  -6.555   8.975
  220    HZ3  LYS  27           2HZ      LYS  27  -2.337  -5.741   9.501
  221    H    HIS  28           H        HIS  28  -1.054   0.725   4.770
  222    HA   HIS  28           HA       HIS  28   0.296   2.843   6.220
  223    HB2  HIS  28           1HB      HIS  28   1.568   1.730   4.576
  224    HB3  HIS  28           2HB      HIS  28   0.333   1.902   3.340
  225    HD1  HIS  28           1HD      HIS  28   2.650   4.292   5.347
  226    HD2  HIS  28           2HD      HIS  28   0.556   3.911   1.722
  227    HE1  HIS  28           1HE      HIS  28   3.253   6.341   3.988
  228    H    ILE  29           H        ILE  29  -2.073   2.958   3.482
  229    HA   ILE  29           HA       ILE  29  -2.238   5.754   3.298
  230    HB   ILE  29           HB       ILE  29  -4.305   3.620   2.685
  231   HG12  ILE  29          1HG1      ILE  29  -2.599   5.336   0.814
  232   HG13  ILE  29          2HG1      ILE  29  -2.112   3.740   1.361
  233   HG21  ILE  29          1HG2      ILE  29  -5.526   5.351   1.358
  234   HG22  ILE  29          2HG2      ILE  29  -5.547   5.721   3.064
  235   HG23  ILE  29          3HG2      ILE  29  -4.426   6.594   1.988
  236   HD11  ILE  29          3HD1      ILE  29  -4.548   4.376  -0.350
  237   HD12  ILE  29          1HD1      ILE  29  -3.090   3.508  -0.822
  238   HD13  ILE  29          2HD1      ILE  29  -4.204   2.775   0.353
  239    H    ARG  30           H        ARG  30  -4.360   3.653   5.317
  240    HA   ARG  30           HA       ARG  30  -5.869   5.873   6.354
  241    HB2  ARG  30           1HB      ARG  30  -6.977   4.285   7.698
  242    HB3  ARG  30           2HB      ARG  30  -6.568   3.440   6.199
  243    HG2  ARG  30           1HG      ARG  30  -4.538   2.490   7.433
  244    HG3  ARG  30           2HG      ARG  30  -5.214   3.185   8.913
  245    HD2  ARG  30           1HD      ARG  30  -7.348   1.909   8.438
  246    HD3  ARG  30           2HD      ARG  30  -6.488   1.091   7.116
  247    HE   ARG  30           HE       ARG  30  -4.970   0.875   9.542
  248   HH11  ARG  30          2HH1      ARG  30  -7.923  -0.436   8.192
  249   HH12  ARG  30          1HH1      ARG  30  -7.879  -1.843   9.217
  250   HH21  ARG  30          2HH2      ARG  30  -4.987  -0.933  10.841
  251   HH22  ARG  30          1HH2      ARG  30  -6.263  -2.103  10.684
  252    H    ASP  31           H        ASP  31  -2.735   4.875   7.250
  253    HA   ASP  31           HA       ASP  31  -2.883   6.225   9.899
  254    HB2  ASP  31           1HB      ASP  31  -1.807   4.005   9.706
  255    HB3  ASP  31           2HB      ASP  31  -0.639   4.665   8.566
  256    H    ALA  32           H        ALA  32  -1.160   6.449   6.772
  257    HA   ALA  32           HA       ALA  32   0.304   8.839   7.636
  258    HB1  ALA  32           1HB      ALA  32   1.586   8.431   5.587
  259    HB2  ALA  32           2HB      ALA  32   1.416   6.938   6.534
  260    HB3  ALA  32           3HB      ALA  32   0.421   7.191   5.081
  261    H    HIS  33           H        HIS  33  -2.448   8.226   5.505
  262    HA   HIS  33           HA       HIS  33  -2.317  11.057   4.503
  263    HB2  HIS  33           1HB      HIS  33  -3.060   8.604   2.879
  264    HB3  HIS  33           2HB      HIS  33  -2.903  10.257   2.298
  265    HD1  HIS  33           1HD      HIS  33  -0.117  11.191   2.875
  266    HD2  HIS  33           2HD      HIS  33  -1.048   7.146   2.242
  267    HE1  HIS  33           1HE      HIS  33   2.058  10.083   2.155
  268    H    ASP  34           H        ASP  34  -4.460   8.266   5.036
  269    HA   ASP  34           HA       ASP  34  -6.711   8.021   5.108
  270    HB2  ASP  34           1HB      ASP  34  -5.939   8.514   7.358
  271    HB3  ASP  34           2HB      ASP  34  -6.284  10.221   7.132
  272    HA   PRO  35           HA       PRO  35  -7.707  11.617   2.328
  273    HB2  PRO  35           1HB      PRO  35  -8.238  10.327  -0.009
  274    HB3  PRO  35           2HB      PRO  35  -6.569  10.595   0.582
  275    HG2  PRO  35           1HG      PRO  35  -8.287   8.107   0.960
  276    HG3  PRO  35           2HG      PRO  35  -6.626   8.192   0.299
  277    HD2  PRO  35           1HD      PRO  35  -7.062   7.631   2.907
  278    HD3  PRO  35           2HD      PRO  35  -5.703   8.691   2.416
  279    H    GLN  36           H        GLN  36  -9.632  12.435   1.503
  280    HA   GLN  36           HA       GLN  36 -12.158  11.080   2.293
  281    HB2  GLN  36           1HB      GLN  36 -11.535  13.949   1.497
  282    HB3  GLN  36           2HB      GLN  36 -13.140  13.359   1.914
  283    HG2  GLN  36           1HG      GLN  36 -10.749  13.349   3.810
  284    HG3  GLN  36           2HG      GLN  36 -12.034  14.549   3.783
  285   HE21  GLN  36          1HE2      GLN  36 -14.328  13.729   4.206
  286   HE22  GLN  36          2HE2      GLN  36 -14.479  12.361   5.300
  287    H    ASP  37           H        ASP  37 -10.338  10.909  -0.371
  288    HA   ASP  37           HA       ASP  37 -12.602  10.733  -2.307
  289    HB2  ASP  37           1HB      ASP  37 -11.599  12.896  -2.689
  290    HB3  ASP  37           2HB      ASP  37  -9.975  12.218  -2.659
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1   2.311 -20.905   5.728
    2    H2   GLY   1           2H       GLY   1   2.504 -19.952   4.408
    3    H3   GLY   1           3H       GLY   1   1.287 -19.654   5.461
    4    HA2  GLY   1           1HA      GLY   1   2.841 -19.085   7.206
    5    HA3  GLY   1           2HA      GLY   1   4.164 -19.420   6.073
    6    H    SER   2           H        SER   2   4.030 -16.985   7.323
    7    HA   SER   2           HA       SER   2   2.649 -14.986   5.725
    8    HB2  SER   2           1HB      SER   2   4.768 -14.622   7.870
    9    HB3  SER   2           2HB      SER   2   3.642 -13.392   7.273
   10    HG   SER   2           HG       SER   2   1.921 -14.610   8.124
   11    H    SER   3           H        SER   3   5.565 -16.583   5.122
   12    HA   SER   3           HA       SER   3   7.118 -14.405   3.984
   13    HB2  SER   3           1HB      SER   3   8.566 -16.271   3.189
   14    HB3  SER   3           2HB      SER   3   8.248 -16.299   4.929
   15    HG   SER   3           HG       SER   3   8.018 -18.376   3.949
   16    H    GLY   4           H        GLY   4   7.919 -14.554   1.693
   17    HA2  GLY   4           1HA      GLY   4   7.610 -14.765  -0.617
   18    HA3  GLY   4           2HA      GLY   4   6.103 -15.628  -0.347
   19    H    SER   5           H        SER   5   4.892 -14.487  -1.811
   20    HA   SER   5           HA       SER   5   4.190 -11.651  -1.252
   21    HB2  SER   5           1HB      SER   5   6.059 -11.577  -2.854
   22    HB3  SER   5           2HB      SER   5   5.227 -12.732  -3.903
   23    HG   SER   5           HG       SER   5   4.423 -10.073  -3.257
   24    H    SER   6           H        SER   6   2.196 -10.992  -2.136
   25    HA   SER   6           HA       SER   6   0.215 -13.042  -2.801
   26    HB2  SER   6           1HB      SER   6   0.021 -10.007  -2.777
   27    HB3  SER   6           2HB      SER   6  -1.336 -11.134  -2.970
   28    HG   SER   6           HG       SER   6  -1.118 -10.441  -0.823
   29    H    GLY   7           H        GLY   7   2.635 -11.847  -4.656
   30    HA2  GLY   7           1HA      GLY   7   3.031 -12.268  -6.914
   31    HA3  GLY   7           2HA      GLY   7   1.318 -12.600  -7.171
   32    H    ILE   8           H        ILE   8  -0.042 -10.444  -6.595
   33    HA   ILE   8           HA       ILE   8   0.833  -8.390  -8.517
   34    HB   ILE   8           HB       ILE   8  -1.695  -8.520  -6.838
   35   HG12  ILE   8          1HG1      ILE   8  -1.693 -10.472  -8.254
   36   HG13  ILE   8          2HG1      ILE   8  -2.850  -9.304  -8.855
   37   HG21  ILE   8          1HG2      ILE   8  -0.952  -6.812  -9.257
   38   HG22  ILE   8          2HG2      ILE   8  -2.581  -6.935  -8.558
   39   HG23  ILE   8          3HG2      ILE   8  -1.264  -6.251  -7.604
   40   HD11  ILE   8          3HD1      ILE   8  -1.266  -8.650 -10.668
   41   HD12  ILE   8          1HD1      ILE   8  -0.096  -9.848 -10.058
   42   HD13  ILE   8          2HD1      ILE   8  -1.659 -10.376 -10.699
   43    H    LYS   9           H        LYS   9   2.189  -6.874  -7.917
   44    HA   LYS   9           HA       LYS   9   2.464  -5.918  -5.132
   45    HB2  LYS   9           1HB      LYS   9   3.915  -5.326  -7.736
   46    HB3  LYS   9           2HB      LYS   9   4.138  -4.322  -6.311
   47    HG2  LYS   9           1HG      LYS   9   5.911  -5.963  -6.501
   48    HG3  LYS   9           2HG      LYS   9   4.996  -6.171  -5.006
   49    HD2  LYS   9           1HD      LYS   9   3.891  -8.139  -5.848
   50    HD3  LYS   9           2HD      LYS   9   4.497  -7.849  -7.498
   51    HE2  LYS   9           1HE      LYS   9   6.785  -8.262  -6.786
   52    HE3  LYS   9           2HE      LYS   9   6.284  -8.411  -5.094
   53    HZ1  LYS   9           3HZ      LYS   9   6.561 -10.577  -6.273
   54    HZ2  LYS   9           1HZ      LYS   9   5.288 -10.208  -7.238
   55    HZ3  LYS   9           2HZ      LYS   9   5.077 -10.388  -5.616
   56    H    GLN  10           H        GLN  10   2.288  -3.736  -4.525
   57    HA   GLN  10           HA       GLN  10   0.280  -2.105  -6.035
   58    HB2  GLN  10           1HB      GLN  10   0.314  -2.802  -3.066
   59    HB3  GLN  10           2HB      GLN  10  -0.765  -1.628  -3.806
   60    HG2  GLN  10           1HG      GLN  10  -0.715  -4.606  -4.462
   61    HG3  GLN  10           2HG      GLN  10  -1.849  -3.809  -3.393
   62   HE21  GLN  10          1HE2      GLN  10  -2.890  -5.279  -5.468
   63   HE22  GLN  10          2HE2      GLN  10  -3.576  -4.172  -6.648
   64    H    HIS  11           H        HIS  11   0.230   0.199  -5.373
   65    HA   HIS  11           HA       HIS  11   2.544   1.124  -3.834
   66    HB2  HIS  11           1HB      HIS  11   3.346   2.699  -5.444
   67    HB3  HIS  11           2HB      HIS  11   3.374   1.095  -6.159
   68    HD1  HIS  11           1HD      HIS  11   1.358   4.397  -6.375
   69    HD2  HIS  11           2HD      HIS  11   1.945   0.738  -8.384
   70    HE1  HIS  11           1HE      HIS  11   0.199   4.624  -8.638
   71    H    CYS  12           H        CYS  12   2.420   3.174  -2.969
   72    HA   CYS  12           HA       CYS  12  -0.174   4.230  -2.320
   73    HB2  CYS  12           1HB      CYS  12   1.714   4.274  -0.832
   74    HB3  CYS  12           2HB      CYS  12   2.642   5.277  -1.957
   75    H    ARG  13           H        ARG  13  -0.959   6.264  -2.740
   76    HA   ARG  13           HA       ARG  13  -0.637   7.247  -5.555
   77    HB2  ARG  13           1HB      ARG  13  -2.876   6.555  -4.811
   78    HB3  ARG  13           2HB      ARG  13  -2.798   7.663  -3.439
   79    HG2  ARG  13           1HG      ARG  13  -2.785   9.602  -4.964
   80    HG3  ARG  13           2HG      ARG  13  -2.774   8.511  -6.369
   81    HD2  ARG  13           1HD      ARG  13  -4.950   7.577  -5.657
   82    HD3  ARG  13           2HD      ARG  13  -4.944   8.635  -4.231
   83    HE   ARG  13           HE       ARG  13  -4.651  10.264  -6.543
   84   HH11  ARG  13          2HH1      ARG  13  -7.153   8.295  -5.079
   85   HH12  ARG  13          1HH1      ARG  13  -8.437   9.247  -5.772
   86   HH21  ARG  13          2HH2      ARG  13  -6.339  11.435  -7.398
   87   HH22  ARG  13          1HH2      ARG  13  -7.980  10.977  -7.050
   88    H    PHE  14           H        PHE  14  -0.377   8.250  -2.200
   89    HA   PHE  14           HA       PHE  14  -0.071  11.094  -2.921
   90    HB2  PHE  14           1HB      PHE  14  -0.241   9.781  -0.204
   91    HB3  PHE  14           2HB      PHE  14  -0.493  11.476  -0.577
   92    HD1  PHE  14           2HD      PHE  14  -2.500  12.030  -2.209
   93    HD2  PHE  14           1HD      PHE  14  -2.057   8.268  -0.146
   94    HE1  PHE  14           2HE      PHE  14  -4.920  11.561  -2.532
   95    HE2  PHE  14           1HE      PHE  14  -4.474   7.809  -0.459
   96    HZ   PHE  14           HZ       PHE  14  -5.910   9.453  -1.651
   97    H    CYS  15           H        CYS  15   1.915   8.508  -1.567
   98    HA   CYS  15           HA       CYS  15   4.281  10.294  -1.811
   99    HB2  CYS  15           1HB      CYS  15   5.299   9.500   0.140
  100    HB3  CYS  15           2HB      CYS  15   3.698  10.098   0.548
  101    H    LYS  16           H        LYS  16   2.861   7.602  -2.998
  102    HA   LYS  16           HA       LYS  16   3.451   5.961  -4.430
  103    HB2  LYS  16           1HB      LYS  16   5.489   8.063  -5.178
  104    HB3  LYS  16           2HB      LYS  16   5.073   6.662  -6.179
  105    HG2  LYS  16           1HG      LYS  16   2.725   7.351  -6.285
  106    HG3  LYS  16           2HG      LYS  16   3.049   8.743  -5.236
  107    HD2  LYS  16           1HD      LYS  16   4.522   9.735  -6.925
  108    HD3  LYS  16           2HD      LYS  16   4.364   8.298  -7.942
  109    HE2  LYS  16           1HE      LYS  16   2.946  10.026  -8.833
  110    HE3  LYS  16           2HE      LYS  16   1.945   8.711  -8.220
  111    HZ1  LYS  16           3HZ      LYS  16   2.478  11.225  -6.718
  112    HZ2  LYS  16           1HZ      LYS  16   1.413  10.050  -6.280
  113    HZ3  LYS  16           2HZ      LYS  16   1.136  10.954  -7.601
  114    H    LYS  17           H        LYS  17   4.660   5.605  -1.835
  115    HA   LYS  17           HA       LYS  17   6.994   3.906  -2.112
  116    HB2  LYS  17           1HB      LYS  17   4.737   4.141  -0.076
  117    HB3  LYS  17           2HB      LYS  17   6.064   2.991   0.106
  118    HG2  LYS  17           1HG      LYS  17   7.690   4.844   0.125
  119    HG3  LYS  17           2HG      LYS  17   6.375   5.998  -0.185
  120    HD2  LYS  17           1HD      LYS  17   5.302   5.285   1.981
  121    HD3  LYS  17           2HD      LYS  17   6.696   4.249   2.290
  122    HE2  LYS  17           1HE      LYS  17   6.863   6.357   3.525
  123    HE3  LYS  17           2HE      LYS  17   8.188   6.198   2.368
  124    HZ1  LYS  17           3HZ      LYS  17   5.717   7.730   1.738
  125    HZ2  LYS  17           1HZ      LYS  17   7.127   7.760   0.933
  126    HZ3  LYS  17           2HZ      LYS  17   7.043   8.434   2.419
  127    H    LYS  18           H        LYS  18   7.018   1.618  -2.004
  128    HA   LYS  18           HA       LYS  18   4.776   0.304  -3.502
  129    HB2  LYS  18           1HB      LYS  18   7.723  -0.407  -3.352
  130    HB3  LYS  18           2HB      LYS  18   6.483  -1.388  -4.147
  131    HG2  LYS  18           1HG      LYS  18   5.940   0.479  -5.678
  132    HG3  LYS  18           2HG      LYS  18   7.132   1.505  -4.875
  133    HD2  LYS  18           1HD      LYS  18   8.087   0.689  -6.916
  134    HD3  LYS  18           2HD      LYS  18   8.945  -0.048  -5.557
  135    HE2  LYS  18           1HE      LYS  18   7.622  -2.133  -5.850
  136    HE3  LYS  18           2HE      LYS  18   6.720  -1.381  -7.173
  137    HZ1  LYS  18           3HZ      LYS  18   9.650  -1.896  -7.186
  138    HZ2  LYS  18           1HZ      LYS  18   8.815  -1.205  -8.410
  139    HZ3  LYS  18           2HZ      LYS  18   8.538  -2.761  -8.009
  140    H    TYR  19           H        TYR  19   3.867  -1.558  -2.926
  141    HA   TYR  19           HA       TYR  19   4.441  -2.713  -0.241
  142    HB2  TYR  19           1HB      TYR  19   1.768  -1.713  -1.293
  143    HB3  TYR  19           2HB      TYR  19   1.952  -2.722   0.140
  144    HD1  TYR  19           2HD      TYR  19   3.220  -1.911   2.128
  145    HD2  TYR  19           1HD      TYR  19   2.367   0.668  -1.227
  146    HE1  TYR  19           2HE      TYR  19   4.002   0.045   3.438
  147    HE2  TYR  19           1HE      TYR  19   3.172   2.628   0.089
  148    HH   TYR  19           HH       TYR  19   4.502   2.275   3.394
  149    H    SER  20           H        SER  20   3.829  -4.809   0.135
  150    HA   SER  20           HA       SER  20   3.971  -6.584  -2.150
  151    HB2  SER  20           1HB      SER  20   4.023  -8.319  -0.335
  152    HB3  SER  20           2HB      SER  20   5.247  -7.049  -0.172
  153    HG   SER  20           HG       SER  20   4.212  -7.449   1.814
  154    H    ASP  21           H        ASP  21   1.316  -5.322  -0.326
  155    HA   ASP  21           HA       ASP  21  -0.634  -7.013  -1.720
  156    HB2  ASP  21           1HB      ASP  21   0.109  -8.302   0.351
  157    HB3  ASP  21           2HB      ASP  21  -0.525  -6.979   1.330
  158    H    VAL  22           H        VAL  22  -2.815  -6.169  -1.550
  159    HA   VAL  22           HA       VAL  22  -2.969  -3.308  -1.423
  160    HB   VAL  22           HB       VAL  22  -4.347  -4.862  -2.831
  161   HG11  VAL  22          1HG1      VAL  22  -5.114  -6.432  -1.056
  162   HG12  VAL  22          2HG1      VAL  22  -6.132  -5.136  -0.384
  163   HG13  VAL  22          3HG1      VAL  22  -6.433  -5.749  -2.017
  164   HG21  VAL  22          3HG2      VAL  22  -6.302  -3.393  -2.848
  165   HG22  VAL  22          1HG2      VAL  22  -5.867  -2.753  -1.250
  166   HG23  VAL  22          2HG2      VAL  22  -4.815  -2.453  -2.647
  167    H    LYS  23           H        LYS  23  -3.663  -5.789   1.008
  168    HA   LYS  23           HA       LYS  23  -4.932  -3.946   2.892
  169    HB2  LYS  23           1HB      LYS  23  -3.531  -6.608   3.387
  170    HB3  LYS  23           2HB      LYS  23  -4.515  -5.745   4.556
  171    HG2  LYS  23           1HG      LYS  23  -5.482  -6.952   1.925
  172    HG3  LYS  23           2HG      LYS  23  -5.756  -7.595   3.535
  173    HD2  LYS  23           1HD      LYS  23  -6.897  -4.990   2.429
  174    HD3  LYS  23           2HD      LYS  23  -7.754  -6.516   2.648
  175    HE2  LYS  23           1HE      LYS  23  -7.295  -6.397   5.112
  176    HE3  LYS  23           2HE      LYS  23  -6.551  -4.811   4.876
  177    HZ1  LYS  23           3HZ      LYS  23  -9.379  -5.485   4.252
  178    HZ2  LYS  23           1HZ      LYS  23  -8.702  -4.016   4.019
  179    HZ3  LYS  23           2HZ      LYS  23  -8.880  -4.607   5.530
  180    H    ASN  24           H        ASN  24  -1.551  -4.844   2.280
  181    HA   ASN  24           HA       ASN  24  -0.514  -3.315   4.541
  182    HB2  ASN  24           1HB      ASN  24   0.778  -4.457   2.032
  183    HB3  ASN  24           2HB      ASN  24   1.665  -3.503   3.216
  184   HD21  ASN  24          1HD2      ASN  24   2.217  -6.304   2.538
  185   HD22  ASN  24          2HD2      ASN  24   1.965  -7.167   4.043
  186    H    LEU  25           H        LEU  25  -1.124  -2.551   1.093
  187    HA   LEU  25           HA       LEU  25  -0.252   0.170   1.230
  188    HB2  LEU  25           1HB      LEU  25  -0.600  -0.880  -0.894
  189    HB3  LEU  25           2HB      LEU  25  -2.271  -1.280  -0.509
  190    HG   LEU  25           HG       LEU  25  -2.924   1.074  -0.559
  191   HD11  LEU  25          1HD1      LEU  25  -0.792   2.157   0.152
  192   HD12  LEU  25          2HD1      LEU  25  -1.357   2.786  -1.390
  193   HD13  LEU  25          3HD1      LEU  25  -0.019   1.616  -1.349
  194   HD21  LEU  25          3HD2      LEU  25  -2.929  -0.269  -2.658
  195   HD22  LEU  25          1HD2      LEU  25  -1.310   0.379  -3.028
  196   HD23  LEU  25          2HD2      LEU  25  -2.698   1.468  -2.928
  197    H    ILE  26           H        ILE  26  -3.577  -1.187   1.790
  198    HA   ILE  26           HA       ILE  26  -4.727   1.355   2.407
  199    HB   ILE  26           HB       ILE  26  -5.580  -1.484   2.997
  200   HG12  ILE  26          1HG1      ILE  26  -6.749   0.641   1.131
  201   HG13  ILE  26          2HG1      ILE  26  -5.493  -0.471   0.612
  202   HG21  ILE  26          1HG2      ILE  26  -7.827  -0.538   3.596
  203   HG22  ILE  26          2HG2      ILE  26  -6.595  -0.109   4.772
  204   HG23  ILE  26          3HG2      ILE  26  -7.123   1.093   3.573
  205   HD11  ILE  26          3HD1      ILE  26  -6.965  -2.403   1.131
  206   HD12  ILE  26          1HD1      ILE  26  -8.282  -1.263   1.514
  207   HD13  ILE  26          2HD1      ILE  26  -7.604  -1.318  -0.121
  208    H    LYS  27           H        LYS  27  -3.235  -1.079   4.547
  209    HA   LYS  27           HA       LYS  27  -3.626   0.257   7.044
  210    HB2  LYS  27           1HB      LYS  27  -2.986  -2.082   6.805
  211    HB3  LYS  27           2HB      LYS  27  -1.477  -1.620   6.007
  212    HG2  LYS  27           1HG      LYS  27  -0.590  -0.695   8.072
  213    HG3  LYS  27           2HG      LYS  27  -2.149  -0.903   8.888
  214    HD2  LYS  27           1HD      LYS  27  -0.496  -2.660   9.508
  215    HD3  LYS  27           2HD      LYS  27  -1.963  -3.324   8.774
  216    HE2  LYS  27           1HE      LYS  27  -0.794  -3.513   6.593
  217    HE3  LYS  27           2HE      LYS  27   0.683  -2.858   7.314
  218    HZ1  LYS  27           3HZ      LYS  27   0.820  -4.823   8.699
  219    HZ2  LYS  27           1HZ      LYS  27   0.613  -5.308   7.141
  220    HZ3  LYS  27           2HZ      LYS  27  -0.635  -5.376   8.187
  221    H    HIS  28           H        HIS  28  -1.096   0.707   4.553
  222    HA   HIS  28           HA       HIS  28   0.345   2.742   6.034
  223    HB2  HIS  28           1HB      HIS  28   1.526   1.682   4.291
  224    HB3  HIS  28           2HB      HIS  28   0.239   1.916   3.122
  225    HD1  HIS  28           1HD      HIS  28   2.633   4.227   5.132
  226    HD2  HIS  28           2HD      HIS  28   0.463   3.948   1.542
  227    HE1  HIS  28           1HE      HIS  28   3.221   6.306   3.811
  228    H    ILE  29           H        ILE  29  -2.157   2.998   3.423
  229    HA   ILE  29           HA       ILE  29  -2.298   5.805   3.363
  230    HB   ILE  29           HB       ILE  29  -4.417   3.715   2.775
  231   HG12  ILE  29          1HG1      ILE  29  -2.819   5.495   0.873
  232   HG13  ILE  29          2HG1      ILE  29  -2.286   3.890   1.345
  233   HG21  ILE  29          1HG2      ILE  29  -5.688   5.511   1.585
  234   HG22  ILE  29          2HG2      ILE  29  -5.621   5.806   3.304
  235   HG23  ILE  29          3HG2      ILE  29  -4.551   6.719   2.214
  236   HD11  ILE  29          3HD1      ILE  29  -4.392   2.915   0.415
  237   HD12  ILE  29          1HD1      ILE  29  -4.839   4.530  -0.187
  238   HD13  ILE  29          2HD1      ILE  29  -3.389   3.739  -0.796
  239    H    ARG  30           H        ARG  30  -4.331   3.633   5.399
  240    HA   ARG  30           HA       ARG  30  -5.752   5.808   6.627
  241    HB2  ARG  30           1HB      ARG  30  -6.775   4.163   7.983
  242    HB3  ARG  30           2HB      ARG  30  -6.501   3.410   6.405
  243    HG2  ARG  30           1HG      ARG  30  -4.393   2.376   7.397
  244    HG3  ARG  30           2HG      ARG  30  -4.933   2.943   8.973
  245    HD2  ARG  30           1HD      ARG  30  -6.451   1.058   7.124
  246    HD3  ARG  30           2HD      ARG  30  -5.557   0.572   8.557
  247    HE   ARG  30           HE       ARG  30  -8.212   1.801   8.436
  248   HH11  ARG  30          2HH1      ARG  30  -5.534   1.191  10.623
  249   HH12  ARG  30          1HH1      ARG  30  -6.536   1.382  12.034
  250   HH21  ARG  30          2HH2      ARG  30  -9.415   2.035  10.277
  251   HH22  ARG  30          1HH2      ARG  30  -8.672   1.844  11.837
  252    H    ASP  31           H        ASP  31  -2.570   4.822   7.258
  253    HA   ASP  31           HA       ASP  31  -2.557   6.054   9.972
  254    HB2  ASP  31           1HB      ASP  31  -1.516   3.832   9.650
  255    HB3  ASP  31           2HB      ASP  31  -0.408   4.519   8.467
  256    H    ALA  32           H        ALA  32  -1.011   6.361   6.760
  257    HA   ALA  32           HA       ALA  32   0.520   8.711   7.620
  258    HB1  ALA  32           1HB      ALA  32   1.555   6.826   6.418
  259    HB2  ALA  32           2HB      ALA  32   0.497   7.131   5.021
  260    HB3  ALA  32           3HB      ALA  32   1.703   8.341   5.506
  261    H    HIS  33           H        HIS  33  -2.330   8.183   5.601
  262    HA   HIS  33           HA       HIS  33  -2.201  11.034   4.648
  263    HB2  HIS  33           1HB      HIS  33  -3.076   8.615   3.036
  264    HB3  HIS  33           2HB      HIS  33  -2.946  10.277   2.471
  265    HD1  HIS  33           1HD      HIS  33  -0.111  11.173   2.985
  266    HD2  HIS  33           2HD      HIS  33  -1.127   7.179   2.175
  267    HE1  HIS  33           1HE      HIS  33   2.016  10.079   2.120
  268    H    ASP  34           H        ASP  34  -4.339   8.283   5.286
  269    HA   ASP  34           HA       ASP  34  -6.571   8.050   5.543
  270    HB2  ASP  34           1HB      ASP  34  -5.631   8.391   7.717
  271    HB3  ASP  34           2HB      ASP  34  -5.890  10.128   7.610
  272    HA   PRO  35           HA       PRO  35  -8.326  11.517   3.049
  273    HB2  PRO  35           1HB      PRO  35  -9.666  10.012   1.195
  274    HB3  PRO  35           2HB      PRO  35  -7.913  10.359   1.098
  275    HG2  PRO  35           1HG      PRO  35  -9.258   7.884   2.235
  276    HG3  PRO  35           2HG      PRO  35  -7.920   7.965   1.041
  277    HD2  PRO  35           1HD      PRO  35  -7.452   7.577   3.681
  278    HD3  PRO  35           2HD      PRO  35  -6.356   8.599   2.701
  279    H    GLN  36           H        GLN  36  -9.637   9.110   5.075
  280    HA   GLN  36           HA       GLN  36 -11.569   8.778   6.142
  281    HB2  GLN  36           1HB      GLN  36 -10.667  11.085   6.834
  282    HB3  GLN  36           2HB      GLN  36 -12.043  11.757   5.953
  283    HG2  GLN  36           1HG      GLN  36 -13.574  10.402   7.431
  284    HG3  GLN  36           2HG      GLN  36 -12.162   9.756   8.264
  285   HE21  GLN  36          1HE2      GLN  36 -13.738  10.797  10.033
  286   HE22  GLN  36          2HE2      GLN  36 -13.295  12.441  10.473
  287    H    ASP  37           H        ASP  37 -11.906   8.169   3.489
  288    HA   ASP  37           HA       ASP  37 -14.831   8.476   3.105
  289    HB2  ASP  37           1HB      ASP  37 -13.795  10.251   1.750
  290    HB3  ASP  37           2HB      ASP  37 -12.752   9.070   0.965
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1  -2.850 -14.981 -18.194
    2    H2   GLY   1           2H       GLY   1  -3.636 -16.175 -18.995
    3    H3   GLY   1           3H       GLY   1  -2.000 -16.097 -19.036
    4    HA2  GLY   1           1HA      GLY   1  -3.621 -16.640 -16.634
    5    HA3  GLY   1           2HA      GLY   1  -2.718 -17.858 -17.552
    6    H    SER   2           H        SER   2  -2.324 -17.410 -14.797
    7    HA   SER   2           HA       SER   2   0.003 -15.695 -14.371
    8    HB2  SER   2           1HB      SER   2  -0.215 -16.413 -12.047
    9    HB3  SER   2           2HB      SER   2  -1.793 -15.935 -12.700
   10    HG   SER   2           HG       SER   2  -1.959 -17.911 -11.578
   11    H    SER   3           H        SER   3  -0.308 -18.917 -15.426
   12    HA   SER   3           HA       SER   3   0.900 -20.792 -15.424
   13    HB2  SER   3           1HB      SER   3   3.216 -20.720 -15.976
   14    HB3  SER   3           2HB      SER   3   2.359 -19.422 -16.807
   15    HG   SER   3           HG       SER   3   3.089 -18.143 -14.823
   16    H    GLY   4           H        GLY   4   0.214 -19.609 -12.728
   17    HA2  GLY   4           1HA      GLY   4   0.225 -20.486 -10.603
   18    HA3  GLY   4           2HA      GLY   4   1.418 -21.688 -11.089
   19    H    SER   5           H        SER   5   2.620 -18.594 -11.867
   20    HA   SER   5           HA       SER   5   3.908 -18.193  -9.197
   21    HB2  SER   5           1HB      SER   5   6.119 -18.107 -10.206
   22    HB3  SER   5           2HB      SER   5   5.360 -19.684 -10.483
   23    HG   SER   5           HG       SER   5   6.340 -18.865 -12.388
   24    H    SER   6           H        SER   6   2.803 -16.687 -12.177
   25    HA   SER   6           HA       SER   6   4.094 -14.127 -11.630
   26    HB2  SER   6           1HB      SER   6   3.528 -15.013 -13.917
   27    HB3  SER   6           2HB      SER   6   1.822 -14.685 -13.550
   28    HG   SER   6           HG       SER   6   2.902 -12.940 -14.649
   29    H    GLY   7           H        GLY   7   2.919 -12.117 -11.311
   30    HA2  GLY   7           1HA      GLY   7   0.275 -11.922 -10.248
   31    HA3  GLY   7           2HA      GLY   7   1.419 -12.079  -8.914
   32    H    ILE   8           H        ILE   8   0.411  -9.920  -8.468
   33    HA   ILE   8           HA       ILE   8   1.934  -7.693  -9.747
   34    HB   ILE   8           HB       ILE   8  -0.028  -6.237  -9.507
   35   HG12  ILE   8          1HG1      ILE   8  -1.644  -8.763  -8.932
   36   HG13  ILE   8          2HG1      ILE   8  -1.233  -7.531  -7.737
   37   HG21  ILE   8          1HG2      ILE   8   0.561  -7.379 -11.652
   38   HG22  ILE   8          2HG2      ILE   8  -0.646  -8.630 -11.278
   39   HG23  ILE   8          3HG2      ILE   8  -1.142  -6.940 -11.515
   40   HD11  ILE   8          3HD1      ILE   8  -2.474  -5.831  -9.094
   41   HD12  ILE   8          1HD1      ILE   8  -3.009  -7.143 -10.174
   42   HD13  ILE   8          2HD1      ILE   8  -3.485  -7.149  -8.470
   43    H    LYS   9           H        LYS   9   2.176  -5.803  -8.510
   44    HA   LYS   9           HA       LYS   9   1.723  -5.944  -5.570
   45    HB2  LYS   9           1HB      LYS   9   4.318  -5.056  -6.915
   46    HB3  LYS   9           2HB      LYS   9   3.890  -4.733  -5.231
   47    HG2  LYS   9           1HG      LYS   9   3.586  -7.264  -4.943
   48    HG3  LYS   9           2HG      LYS   9   4.381  -7.444  -6.517
   49    HD2  LYS   9           1HD      LYS   9   6.382  -6.257  -5.641
   50    HD3  LYS   9           2HD      LYS   9   5.554  -6.006  -4.091
   51    HE2  LYS   9           1HE      LYS   9   5.283  -8.568  -3.991
   52    HE3  LYS   9           2HE      LYS   9   6.433  -8.644  -5.334
   53    HZ1  LYS   9           3HZ      LYS   9   7.580  -8.842  -3.215
   54    HZ2  LYS   9           1HZ      LYS   9   6.922  -7.458  -2.652
   55    HZ3  LYS   9           2HZ      LYS   9   8.017  -7.414  -3.880
   56    H    GLN  10           H        GLN  10   1.876  -3.746  -4.582
   57    HA   GLN  10           HA       GLN  10   0.433  -1.782  -6.332
   58    HB2  GLN  10           1HB      GLN  10   0.027  -2.603  -3.430
   59    HB3  GLN  10           2HB      GLN  10  -0.678  -1.152  -4.125
   60    HG2  GLN  10           1HG      GLN  10  -1.189  -3.962  -5.177
   61    HG3  GLN  10           2HG      GLN  10  -2.249  -3.088  -4.078
   62   HE21  GLN  10          1HE2      GLN  10  -2.301  -3.980  -7.170
   63   HE22  GLN  10          2HE2      GLN  10  -3.001  -2.541  -7.889
   64    H    HIS  11           H        HIS  11   0.565   0.460  -5.720
   65    HA   HIS  11           HA       HIS  11   2.805   1.197  -3.949
   66    HB2  HIS  11           1HB      HIS  11   3.659   2.879  -5.390
   67    HB3  HIS  11           2HB      HIS  11   3.634   1.370  -6.291
   68    HD1  HIS  11           1HD      HIS  11   1.693   4.735  -6.098
   69    HD2  HIS  11           2HD      HIS  11   2.183   1.324  -8.530
   70    HE1  HIS  11           1HE      HIS  11   0.516   5.245  -8.297
   71    H    CYS  12           H        CYS  12   2.606   3.170  -2.882
   72    HA   CYS  12           HA       CYS  12  -0.013   4.046  -2.201
   73    HB2  CYS  12           1HB      CYS  12   1.878   4.185  -0.703
   74    HB3  CYS  12           2HB      CYS  12   2.693   5.339  -1.772
   75    H    ARG  13           H        ARG  13  -1.211   5.640  -2.731
   76    HA   ARG  13           HA       ARG  13  -1.034   6.728  -5.461
   77    HB2  ARG  13           1HB      ARG  13  -3.116   7.359  -3.340
   78    HB3  ARG  13           2HB      ARG  13  -3.289   7.425  -5.087
   79    HG2  ARG  13           1HG      ARG  13  -3.110   4.919  -3.349
   80    HG3  ARG  13           2HG      ARG  13  -4.506   5.578  -4.170
   81    HD2  ARG  13           1HD      ARG  13  -3.240   5.208  -6.376
   82    HD3  ARG  13           2HD      ARG  13  -2.038   4.317  -5.439
   83    HE   ARG  13           HE       ARG  13  -4.952   3.583  -5.600
   84   HH11  ARG  13          2HH1      ARG  13  -1.624   2.339  -5.416
   85   HH12  ARG  13          1HH1      ARG  13  -2.211   0.730  -5.812
   86   HH21  ARG  13          2HH2      ARG  13  -5.474   1.436  -5.968
   87   HH22  ARG  13          1HH2      ARG  13  -4.179   0.259  -6.034
   88    H    PHE  14           H        PHE  14  -0.423   7.768  -2.262
   89    HA   PHE  14           HA       PHE  14  -0.376  10.662  -2.959
   90    HB2  PHE  14           1HB      PHE  14  -0.346   9.303  -0.263
   91    HB3  PHE  14           2HB      PHE  14  -0.609  11.010  -0.570
   92    HD1  PHE  14           2HD      PHE  14  -2.724  11.688  -1.906
   93    HD2  PHE  14           1HD      PHE  14  -2.150   7.752  -0.236
   94    HE1  PHE  14           2HE      PHE  14  -5.163  11.249  -2.093
   95    HE2  PHE  14           1HE      PHE  14  -4.589   7.319  -0.418
   96    HZ   PHE  14           HZ       PHE  14  -6.095   9.064  -1.360
   97    H    CYS  15           H        CYS  15   1.844   8.152  -1.727
   98    HA   CYS  15           HA       CYS  15   4.067  10.104  -2.033
   99    HB2  CYS  15           1HB      CYS  15   5.150   9.454  -0.050
  100    HB3  CYS  15           2HB      CYS  15   3.530  10.036   0.318
  101    H    LYS  16           H        LYS  16   2.959   7.378  -3.292
  102    HA   LYS  16           HA       LYS  16   3.753   5.744  -4.630
  103    HB2  LYS  16           1HB      LYS  16   6.060   7.662  -5.019
  104    HB3  LYS  16           2HB      LYS  16   5.627   6.323  -6.088
  105    HG2  LYS  16           1HG      LYS  16   3.391   7.345  -6.477
  106    HG3  LYS  16           2HG      LYS  16   3.864   8.734  -5.478
  107    HD2  LYS  16           1HD      LYS  16   5.746   9.211  -7.023
  108    HD3  LYS  16           2HD      LYS  16   5.261   7.832  -8.035
  109    HE2  LYS  16           1HE      LYS  16   3.042   8.887  -8.405
  110    HE3  LYS  16           2HE      LYS  16   3.520  10.257  -7.396
  111    HZ1  LYS  16           3HZ      LYS  16   3.833  10.745  -9.753
  112    HZ2  LYS  16           1HZ      LYS  16   4.843   9.478  -9.942
  113    HZ3  LYS  16           2HZ      LYS  16   5.284  10.745  -9.008
  114    H    LYS  17           H        LYS  17   4.817   5.594  -1.730
  115    HA   LYS  17           HA       LYS  17   7.051   3.779  -1.789
  116    HB2  LYS  17           1HB      LYS  17   4.698   4.132   0.116
  117    HB3  LYS  17           2HB      LYS  17   6.005   2.975   0.406
  118    HG2  LYS  17           1HG      LYS  17   7.650   4.820   0.361
  119    HG3  LYS  17           2HG      LYS  17   6.333   5.968   0.056
  120    HD2  LYS  17           1HD      LYS  17   5.266   5.169   2.223
  121    HD3  LYS  17           2HD      LYS  17   6.745   4.263   2.554
  122    HE2  LYS  17           1HE      LYS  17   6.544   7.283   2.106
  123    HE3  LYS  17           2HE      LYS  17   6.611   6.503   3.690
  124    HZ1  LYS  17           3HZ      LYS  17   8.773   6.400   1.655
  125    HZ2  LYS  17           1HZ      LYS  17   8.819   5.641   3.103
  126    HZ3  LYS  17           2HZ      LYS  17   8.801   7.269   3.032
  127    H    LYS  18           H        LYS  18   7.075   1.541  -1.712
  128    HA   LYS  18           HA       LYS  18   4.907   0.264  -3.350
  129    HB2  LYS  18           1HB      LYS  18   7.838  -0.466  -3.066
  130    HB3  LYS  18           2HB      LYS  18   6.639  -1.405  -3.971
  131    HG2  LYS  18           1HG      LYS  18   6.181   0.549  -5.432
  132    HG3  LYS  18           2HG      LYS  18   7.349   1.514  -4.525
  133    HD2  LYS  18           1HD      LYS  18   8.389   0.790  -6.556
  134    HD3  LYS  18           2HD      LYS  18   9.168  -0.041  -5.203
  135    HE2  LYS  18           1HE      LYS  18   7.824  -2.077  -5.678
  136    HE3  LYS  18           2HE      LYS  18   6.994  -1.231  -6.991
  137    HZ1  LYS  18           3HZ      LYS  18   9.143  -1.028  -8.126
  138    HZ2  LYS  18           1HZ      LYS  18   8.820  -2.599  -7.830
  139    HZ3  LYS  18           2HZ      LYS  18   9.911  -1.805  -6.911
  140    H    TYR  19           H        TYR  19   3.846  -1.515  -2.842
  141    HA   TYR  19           HA       TYR  19   4.376  -2.888  -0.247
  142    HB2  TYR  19           1HB      TYR  19   1.736  -1.717  -1.196
  143    HB3  TYR  19           2HB      TYR  19   1.919  -2.777   0.197
  144    HD1  TYR  19           2HD      TYR  19   3.279  -2.059   2.181
  145    HD2  TYR  19           1HD      TYR  19   2.354   0.644  -1.056
  146    HE1  TYR  19           2HE      TYR  19   4.082  -0.144   3.551
  147    HE2  TYR  19           1HE      TYR  19   3.170   2.556   0.323
  148    HH   TYR  19           HH       TYR  19   4.537   2.090   3.597
  149    H    SER  20           H        SER  20   4.222  -5.032  -0.288
  150    HA   SER  20           HA       SER  20   3.729  -6.461  -2.732
  151    HB2  SER  20           1HB      SER  20   4.069  -7.465   0.113
  152    HB3  SER  20           2HB      SER  20   4.147  -8.466  -1.349
  153    HG   SER  20           HG       SER  20   6.197  -7.577  -0.380
  154    H    ASP  21           H        ASP  21   1.521  -5.435  -0.305
  155    HA   ASP  21           HA       ASP  21  -0.650  -7.112  -1.449
  156    HB2  ASP  21           1HB      ASP  21   0.010  -6.831   1.513
  157    HB3  ASP  21           2HB      ASP  21  -1.537  -7.401   0.903
  158    H    VAL  22           H        VAL  22  -2.597  -6.085  -1.607
  159    HA   VAL  22           HA       VAL  22  -2.706  -3.240  -1.440
  160    HB   VAL  22           HB       VAL  22  -4.018  -4.718  -2.963
  161   HG11  VAL  22          1HG1      VAL  22  -5.953  -5.062  -0.637
  162   HG12  VAL  22          2HG1      VAL  22  -6.166  -5.610  -2.307
  163   HG13  VAL  22          3HG1      VAL  22  -4.911  -6.344  -1.302
  164   HG21  VAL  22          3HG2      VAL  22  -5.956  -3.249  -3.084
  165   HG22  VAL  22          1HG2      VAL  22  -5.659  -2.666  -1.435
  166   HG23  VAL  22          2HG2      VAL  22  -4.495  -2.312  -2.729
  167    H    LYS  23           H        LYS  23  -3.632  -5.708   0.885
  168    HA   LYS  23           HA       LYS  23  -5.021  -4.003   2.761
  169    HB2  LYS  23           1HB      LYS  23  -3.467  -6.597   3.185
  170    HB3  LYS  23           2HB      LYS  23  -4.475  -5.807   4.408
  171    HG2  LYS  23           1HG      LYS  23  -6.462  -6.021   2.939
  172    HG3  LYS  23           2HG      LYS  23  -5.475  -6.842   1.714
  173    HD2  LYS  23           1HD      LYS  23  -4.960  -8.652   3.325
  174    HD3  LYS  23           2HD      LYS  23  -5.949  -7.837   4.558
  175    HE2  LYS  23           1HE      LYS  23  -7.938  -8.020   3.077
  176    HE3  LYS  23           2HE      LYS  23  -6.954  -8.830   1.851
  177    HZ1  LYS  23           3HZ      LYS  23  -7.476  -9.883   4.583
  178    HZ2  LYS  23           1HZ      LYS  23  -6.567 -10.633   3.450
  179    HZ3  LYS  23           2HZ      LYS  23  -8.168 -10.433   3.212
  180    H    ASN  24           H        ASN  24  -1.557  -4.762   2.383
  181    HA   ASN  24           HA       ASN  24  -0.737  -3.248   4.729
  182    HB2  ASN  24           1HB      ASN  24   0.808  -4.265   2.302
  183    HB3  ASN  24           2HB      ASN  24   1.542  -3.441   3.674
  184   HD21  ASN  24          1HD2      ASN  24   2.618  -5.797   3.255
  185   HD22  ASN  24          2HD2      ASN  24   2.009  -6.989   4.392
  186    H    LEU  25           H        LEU  25  -1.045  -2.468   1.241
  187    HA   LEU  25           HA       LEU  25  -0.208   0.260   1.427
  188    HB2  LEU  25           1HB      LEU  25  -0.439  -0.723  -0.732
  189    HB3  LEU  25           2HB      LEU  25  -2.097  -1.224  -0.424
  190    HG   LEU  25           HG       LEU  25  -2.872   1.102  -0.435
  191   HD11  LEU  25          1HD1      LEU  25   0.005   1.805  -1.202
  192   HD12  LEU  25          2HD1      LEU  25  -0.757   2.232   0.337
  193   HD13  LEU  25          3HD1      LEU  25  -1.391   2.911  -1.153
  194   HD21  LEU  25          3HD2      LEU  25  -2.653   1.548  -2.774
  195   HD22  LEU  25          1HD2      LEU  25  -2.755  -0.209  -2.561
  196   HD23  LEU  25          2HD2      LEU  25  -1.182   0.569  -2.887
  197    H    ILE  26           H        ILE  26  -3.534  -1.142   1.818
  198    HA   ILE  26           HA       ILE  26  -4.785   1.355   2.374
  199    HB   ILE  26           HB       ILE  26  -5.525  -1.509   2.996
  200   HG12  ILE  26          1HG1      ILE  26  -6.817   0.540   1.130
  201   HG13  ILE  26          2HG1      ILE  26  -5.472  -0.462   0.610
  202   HG21  ILE  26          1HG2      ILE  26  -7.816  -0.675   3.583
  203   HG22  ILE  26          2HG2      ILE  26  -6.609  -0.192   4.765
  204   HG23  ILE  26          3HG2      ILE  26  -7.192   0.988   3.572
  205   HD11  ILE  26          3HD1      ILE  26  -8.187  -1.493   1.501
  206   HD12  ILE  26          1HD1      ILE  26  -7.512  -1.469  -0.138
  207   HD13  ILE  26          2HD1      ILE  26  -6.780  -2.512   1.096
  208    H    LYS  27           H        LYS  27  -3.309  -0.985   4.662
  209    HA   LYS  27           HA       LYS  27  -3.853   0.531   7.046
  210    HB2  LYS  27           1HB      LYS  27  -1.689  -1.491   6.323
  211    HB3  LYS  27           2HB      LYS  27  -1.830  -0.775   7.934
  212    HG2  LYS  27           1HG      LYS  27  -4.060  -1.676   8.245
  213    HG3  LYS  27           2HG      LYS  27  -4.106  -2.294   6.587
  214    HD2  LYS  27           1HD      LYS  27  -2.186  -3.794   7.087
  215    HD3  LYS  27           2HD      LYS  27  -2.154  -3.185   8.758
  216    HE2  LYS  27           1HE      LYS  27  -4.492  -3.985   9.078
  217    HE3  LYS  27           2HE      LYS  27  -4.504  -4.607   7.422
  218    HZ1  LYS  27           3HZ      LYS  27  -2.678  -6.107   8.053
  219    HZ2  LYS  27           1HZ      LYS  27  -3.969  -6.357   9.019
  220    HZ3  LYS  27           2HZ      LYS  27  -2.681  -5.534   9.584
  221    H    HIS  28           H        HIS  28  -1.095   0.742   4.753
  222    HA   HIS  28           HA       HIS  28   0.278   2.845   6.158
  223    HB2  HIS  28           1HB      HIS  28   1.491   1.710   4.475
  224    HB3  HIS  28           2HB      HIS  28   0.239   1.938   3.267
  225    HD1  HIS  28           1HD      HIS  28   2.684   4.218   5.247
  226    HD2  HIS  28           2HD      HIS  28   0.448   3.992   1.696
  227    HE1  HIS  28           1HE      HIS  28   3.274   6.301   3.929
  228    H    ILE  29           H        ILE  29  -2.225   3.013   3.555
  229    HA   ILE  29           HA       ILE  29  -2.338   5.824   3.368
  230    HB   ILE  29           HB       ILE  29  -4.441   3.704   2.853
  231   HG12  ILE  29          1HG1      ILE  29  -2.887   5.501   0.931
  232   HG13  ILE  29          2HG1      ILE  29  -2.345   3.898   1.404
  233   HG21  ILE  29          1HG2      ILE  29  -5.680   5.751   3.392
  234   HG22  ILE  29          2HG2      ILE  29  -4.649   6.696   2.285
  235   HG23  ILE  29          3HG2      ILE  29  -5.769   5.460   1.675
  236   HD11  ILE  29          3HD1      ILE  29  -4.915   4.525  -0.109
  237   HD12  ILE  29          1HD1      ILE  29  -3.467   3.750  -0.738
  238   HD13  ILE  29          2HD1      ILE  29  -4.448   2.912   0.484
  239    H    ARG  30           H        ARG  30  -4.394   3.747   5.485
  240    HA   ARG  30           HA       ARG  30  -5.617   6.054   6.722
  241    HB2  ARG  30           1HB      ARG  30  -6.746   4.539   8.161
  242    HB3  ARG  30           2HB      ARG  30  -6.667   3.847   6.532
  243    HG2  ARG  30           1HG      ARG  30  -4.944   2.309   7.196
  244    HG3  ARG  30           2HG      ARG  30  -4.815   3.022   8.797
  245    HD2  ARG  30           1HD      ARG  30  -6.104   0.907   8.782
  246    HD3  ARG  30           2HD      ARG  30  -7.028   2.280   9.401
  247    HE   ARG  30           HE       ARG  30  -8.008   2.421   7.005
  248   HH11  ARG  30          2HH1      ARG  30  -7.299  -0.700   8.478
  249   HH12  ARG  30          1HH1      ARG  30  -8.550  -1.470   7.541
  250   HH21  ARG  30          2HH2      ARG  30  -9.487   1.476   5.988
  251   HH22  ARG  30          1HH2      ARG  30  -9.813  -0.246   6.127
  252    H    ASP  31           H        ASP  31  -2.523   4.804   7.318
  253    HA   ASP  31           HA       ASP  31  -2.344   6.027  10.018
  254    HB2  ASP  31           1HB      ASP  31  -1.292   3.839   9.550
  255    HB3  ASP  31           2HB      ASP  31  -0.271   4.586   8.326
  256    H    ALA  32           H        ALA  32  -0.999   6.487   6.736
  257    HA   ALA  32           HA       ALA  32   0.499   8.870   7.617
  258    HB1  ALA  32           1HB      ALA  32   0.541   7.277   5.028
  259    HB2  ALA  32           2HB      ALA  32   1.698   8.536   5.509
  260    HB3  ALA  32           3HB      ALA  32   1.605   7.022   6.430
  261    H    HIS  33           H        HIS  33  -2.338   8.254   5.610
  262    HA   HIS  33           HA       HIS  33  -2.289  11.098   4.633
  263    HB2  HIS  33           1HB      HIS  33  -3.140   8.649   3.057
  264    HB3  HIS  33           2HB      HIS  33  -3.022  10.304   2.470
  265    HD1  HIS  33           1HD      HIS  33  -0.217  11.247   2.816
  266    HD2  HIS  33           2HD      HIS  33  -1.157   7.186   2.323
  267    HE1  HIS  33           1HE      HIS  33   1.917  10.136   1.985
  268    H    ASP  34           H        ASP  34  -4.346   8.326   5.418
  269    HA   ASP  34           HA       ASP  34  -6.560   8.052   5.765
  270    HB2  ASP  34           1HB      ASP  34  -5.526   8.691   7.878
  271    HB3  ASP  34           2HB      ASP  34  -5.954  10.375   7.601
  272    HA   PRO  35           HA       PRO  35  -8.237  11.480   3.079
  273    HB2  PRO  35           1HB      PRO  35  -8.836  10.105   0.804
  274    HB3  PRO  35           2HB      PRO  35  -7.180  10.670   1.183
  275    HG2  PRO  35           1HG      PRO  35  -8.348   7.903   1.645
  276    HG3  PRO  35           2HG      PRO  35  -6.796   8.330   0.865
  277    HD2  PRO  35           1HD      PRO  35  -6.951   7.630   3.500
  278    HD3  PRO  35           2HD      PRO  35  -5.788   8.857   2.910
  279    H    GLN  36           H        GLN  36  -9.530   8.184   3.541
  280    HA   GLN  36           HA       GLN  36 -12.235   9.208   4.152
  281    HB2  GLN  36           1HB      GLN  36 -11.643   7.266   1.875
  282    HB3  GLN  36           2HB      GLN  36 -13.228   7.424   2.615
  283    HG2  GLN  36           1HG      GLN  36 -11.791   9.679   1.154
  284    HG3  GLN  36           2HG      GLN  36 -12.996   8.616   0.457
  285   HE21  GLN  36          1HE2      GLN  36 -12.529  11.244   2.816
  286   HE22  GLN  36          2HE2      GLN  36 -14.249  11.646   2.921
  287    H    ASP  37           H        ASP  37 -10.410   6.155   3.557
  288    HA   ASP  37           HA       ASP  37 -11.094   5.046   6.202
  289    HB2  ASP  37           1HB      ASP  37 -13.067   4.555   4.769
  290    HB3  ASP  37           2HB      ASP  37 -12.017   3.796   3.580
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -12.518 -15.651 -15.362
    2    H2   GLY   1           2H       GLY   1 -13.896 -15.525 -16.239
    3    H3   GLY   1           3H       GLY   1 -13.119 -16.964 -16.139
    4    HA2  GLY   1           1HA      GLY   1 -15.073 -16.980 -14.732
    5    HA3  GLY   1           2HA      GLY   1 -13.578 -17.146 -13.793
    6    H    SER   2           H        SER   2 -16.293 -16.041 -13.086
    7    HA   SER   2           HA       SER   2 -16.322 -13.235 -12.986
    8    HB2  SER   2           1HB      SER   2 -17.661 -15.168 -11.061
    9    HB3  SER   2           2HB      SER   2 -18.166 -13.506 -11.411
   10    HG   SER   2           HG       SER   2 -18.650 -14.134 -13.533
   11    H    SER   3           H        SER   3 -14.479 -15.334 -10.918
   12    HA   SER   3           HA       SER   3 -14.165 -13.493  -8.686
   13    HB2  SER   3           1HB      SER   3 -12.362 -15.114  -8.043
   14    HB3  SER   3           2HB      SER   3 -13.963 -15.835  -8.278
   15    HG   SER   3           HG       SER   3 -12.280 -17.047  -9.299
   16    H    GLY   4           H        GLY   4 -12.805 -13.546 -11.850
   17    HA2  GLY   4           1HA      GLY   4 -11.277 -12.131 -12.847
   18    HA3  GLY   4           2HA      GLY   4 -11.088 -11.276 -11.320
   19    H    SER   5           H        SER   5  -8.857 -11.166 -12.200
   20    HA   SER   5           HA       SER   5  -7.147 -13.431 -11.270
   21    HB2  SER   5           1HB      SER   5  -6.844 -11.970 -13.924
   22    HB3  SER   5           2HB      SER   5  -5.698 -13.140 -13.247
   23    HG   SER   5           HG       SER   5  -7.138 -14.094 -14.770
   24    H    SER   6           H        SER   6  -5.143 -12.876 -10.480
   25    HA   SER   6           HA       SER   6  -4.695 -10.165  -9.541
   26    HB2  SER   6           1HB      SER   6  -2.870 -12.600  -9.491
   27    HB3  SER   6           2HB      SER   6  -2.637 -11.099  -8.577
   28    HG   SER   6           HG       SER   6  -3.657 -12.743  -7.325
   29    H    GLY   7           H        GLY   7  -2.718  -8.929  -9.910
   30    HA2  GLY   7           1HA      GLY   7  -0.681  -9.333 -11.667
   31    HA3  GLY   7           2HA      GLY   7  -1.953  -8.763 -12.748
   32    H    ILE   8           H        ILE   8  -2.934  -6.917 -10.441
   33    HA   ILE   8           HA       ILE   8  -1.372  -4.610 -11.263
   34    HB   ILE   8           HB       ILE   8  -3.521  -4.798  -9.127
   35   HG12  ILE   8          1HG1      ILE   8  -4.512  -5.548 -11.196
   36   HG13  ILE   8          2HG1      ILE   8  -5.092  -3.944 -10.807
   37   HG21  ILE   8          1HG2      ILE   8  -3.791  -2.352  -9.575
   38   HG22  ILE   8          2HG2      ILE   8  -2.225  -2.753  -8.873
   39   HG23  ILE   8          3HG2      ILE   8  -2.345  -2.402 -10.605
   40   HD11  ILE   8          3HD1      ILE   8  -2.985  -4.602 -12.918
   41   HD12  ILE   8          1HD1      ILE   8  -4.674  -4.160 -13.204
   42   HD13  ILE   8          2HD1      ILE   8  -3.563  -2.966 -12.519
   43    H    LYS   9           H        LYS   9   0.478  -3.956 -10.442
   44    HA   LYS   9           HA       LYS   9   1.599  -4.982  -7.952
   45    HB2  LYS   9           1HB      LYS   9   2.570  -2.808  -9.855
   46    HB3  LYS   9           2HB      LYS   9   3.482  -3.436  -8.476
   47    HG2  LYS   9           1HG      LYS   9   3.449  -5.712  -9.472
   48    HG3  LYS   9           2HG      LYS   9   2.555  -5.089 -10.872
   49    HD2  LYS   9           1HD      LYS   9   4.440  -3.556 -11.395
   50    HD3  LYS   9           2HD      LYS   9   5.346  -4.209 -10.010
   51    HE2  LYS   9           1HE      LYS   9   5.253  -6.476 -11.021
   52    HE3  LYS   9           2HE      LYS   9   4.337  -5.835 -12.390
   53    HZ1  LYS   9           3HZ      LYS   9   7.111  -5.034 -11.677
   54    HZ2  LYS   9           1HZ      LYS   9   6.260  -4.441 -12.942
   55    HZ3  LYS   9           2HZ      LYS   9   6.699  -6.012 -12.916
   56    H    GLN  10           H        GLN  10   1.629  -4.085  -5.971
   57    HA   GLN  10           HA       GLN  10  -0.223  -1.833  -5.538
   58    HB2  GLN  10           1HB      GLN  10   1.073  -3.731  -3.552
   59    HB3  GLN  10           2HB      GLN  10  -0.156  -2.525  -3.182
   60    HG2  GLN  10           1HG      GLN  10  -0.488  -4.989  -4.946
   61    HG3  GLN  10           2HG      GLN  10  -1.202  -4.710  -3.372
   62   HE21  GLN  10          1HE2      GLN  10  -1.980  -4.726  -6.629
   63   HE22  GLN  10          2HE2      GLN  10  -3.322  -3.588  -6.538
   64    H    HIS  11           H        HIS  11   0.389   0.166  -5.337
   65    HA   HIS  11           HA       HIS  11   2.708   0.842  -3.684
   66    HB2  HIS  11           1HB      HIS  11   3.702   2.384  -5.209
   67    HB3  HIS  11           2HB      HIS  11   3.585   0.834  -6.022
   68    HD1  HIS  11           1HD      HIS  11   1.925   4.347  -6.072
   69    HD2  HIS  11           2HD      HIS  11   2.174   0.763  -8.285
   70    HE1  HIS  11           1HE      HIS  11   0.937   4.849  -8.362
   71    H    CYS  12           H        CYS  12   2.663   2.952  -2.812
   72    HA   CYS  12           HA       CYS  12   0.094   3.925  -2.073
   73    HB2  CYS  12           1HB      CYS  12   2.054   4.068  -0.684
   74    HB3  CYS  12           2HB      CYS  12   2.832   5.184  -1.826
   75    H    ARG  13           H        ARG  13  -1.022   5.609  -2.504
   76    HA   ARG  13           HA       ARG  13  -1.117   6.602  -5.289
   77    HB2  ARG  13           1HB      ARG  13  -2.855   7.285  -2.886
   78    HB3  ARG  13           2HB      ARG  13  -3.246   7.561  -4.570
   79    HG2  ARG  13           1HG      ARG  13  -3.067   4.830  -3.205
   80    HG3  ARG  13           2HG      ARG  13  -4.512   5.758  -3.537
   81    HD2  ARG  13           1HD      ARG  13  -4.553   4.299  -5.302
   82    HD3  ARG  13           2HD      ARG  13  -3.745   5.691  -6.040
   83    HE   ARG  13           HE       ARG  13  -1.855   3.800  -4.878
   84   HH11  ARG  13          2HH1      ARG  13  -3.814   4.242  -7.762
   85   HH12  ARG  13          1HH1      ARG  13  -2.842   3.126  -8.682
   86   HH21  ARG  13          2HH2      ARG  13  -0.694   2.454  -6.077
   87   HH22  ARG  13          1HH2      ARG  13  -1.041   2.202  -7.774
   88    H    PHE  14           H        PHE  14  -0.169   7.720  -2.142
   89    HA   PHE  14           HA       PHE  14  -0.099  10.580  -3.009
   90    HB2  PHE  14           1HB      PHE  14  -0.202   9.392  -0.232
   91    HB3  PHE  14           2HB      PHE  14  -0.379  11.087  -0.652
   92    HD1  PHE  14           2HD      PHE  14  -2.376  11.681  -2.283
   93    HD2  PHE  14           1HD      PHE  14  -2.114   8.017  -0.022
   94    HE1  PHE  14           2HE      PHE  14  -4.817  11.319  -2.579
   95    HE2  PHE  14           1HE      PHE  14  -4.553   7.663  -0.314
   96    HZ   PHE  14           HZ       PHE  14  -5.905   9.305  -1.607
   97    H    CYS  15           H        CYS  15   2.008   8.093  -1.594
   98    HA   CYS  15           HA       CYS  15   4.277   9.990  -1.918
   99    HB2  CYS  15           1HB      CYS  15   5.361   9.286   0.022
  100    HB3  CYS  15           2HB      CYS  15   3.757   9.873   0.430
  101    H    LYS  16           H        LYS  16   3.054   7.423  -3.273
  102    HA   LYS  16           HA       LYS  16   3.734   5.842  -4.744
  103    HB2  LYS  16           1HB      LYS  16   6.061   7.752  -5.081
  104    HB3  LYS  16           2HB      LYS  16   5.578   6.495  -6.225
  105    HG2  LYS  16           1HG      LYS  16   3.357   7.572  -6.502
  106    HG3  LYS  16           2HG      LYS  16   3.828   8.841  -5.367
  107    HD2  LYS  16           1HD      LYS  16   4.065   9.700  -7.587
  108    HD3  LYS  16           2HD      LYS  16   5.678   9.520  -6.881
  109    HE2  LYS  16           1HE      LYS  16   5.990   7.395  -8.137
  110    HE3  LYS  16           2HE      LYS  16   4.357   7.539  -8.798
  111    HZ1  LYS  16           3HZ      LYS  16   6.567   9.467  -9.287
  112    HZ2  LYS  16           1HZ      LYS  16   5.059   9.597  -9.902
  113    HZ3  LYS  16           2HZ      LYS  16   6.023   8.365 -10.360
  114    H    LYS  17           H        LYS  17   4.949   5.505  -1.923
  115    HA   LYS  17           HA       LYS  17   7.214   3.765  -2.176
  116    HB2  LYS  17           1HB      LYS  17   4.967   3.959  -0.130
  117    HB3  LYS  17           2HB      LYS  17   6.353   2.875   0.057
  118    HG2  LYS  17           1HG      LYS  17   7.901   4.795  -0.021
  119    HG3  LYS  17           2HG      LYS  17   6.523   5.886  -0.271
  120    HD2  LYS  17           1HD      LYS  17   5.578   5.103   1.934
  121    HD3  LYS  17           2HD      LYS  17   7.034   4.129   2.163
  122    HE2  LYS  17           1HE      LYS  17   7.149   6.240   3.421
  123    HE3  LYS  17           2HE      LYS  17   8.434   6.146   2.213
  124    HZ1  LYS  17           3HZ      LYS  17   7.245   7.664   0.827
  125    HZ2  LYS  17           1HZ      LYS  17   7.200   8.329   2.319
  126    HZ3  LYS  17           2HZ      LYS  17   5.874   7.575   1.692
  127    H    LYS  18           H        LYS  18   7.370   1.576  -2.208
  128    HA   LYS  18           HA       LYS  18   5.210   0.118  -3.666
  129    HB2  LYS  18           1HB      LYS  18   8.097  -0.664  -3.102
  130    HB3  LYS  18           2HB      LYS  18   6.934  -1.624  -4.025
  131    HG2  LYS  18           1HG      LYS  18   6.700   0.227  -5.669
  132    HG3  LYS  18           2HG      LYS  18   7.907   1.171  -4.773
  133    HD2  LYS  18           1HD      LYS  18   9.562  -0.675  -5.113
  134    HD3  LYS  18           2HD      LYS  18   8.388  -1.531  -6.117
  135    HE2  LYS  18           1HE      LYS  18   9.484   1.270  -6.670
  136    HE3  LYS  18           2HE      LYS  18  10.118  -0.213  -7.386
  137    HZ1  LYS  18           3HZ      LYS  18   7.935  -0.579  -8.415
  138    HZ2  LYS  18           1HZ      LYS  18   8.563   0.849  -8.887
  139    HZ3  LYS  18           2HZ      LYS  18   7.362   0.821  -7.787
  140    H    TYR  19           H        TYR  19   4.164  -1.679  -2.940
  141    HA   TYR  19           HA       TYR  19   4.566  -2.447  -0.083
  142    HB2  TYR  19           1HB      TYR  19   2.127  -1.348  -1.448
  143    HB3  TYR  19           2HB      TYR  19   1.911  -2.587  -0.217
  144    HD1  TYR  19           1HD      TYR  19   3.072   0.895  -0.793
  145    HD2  TYR  19           2HD      TYR  19   2.585  -2.279   2.081
  146    HE1  TYR  19           1HE      TYR  19   3.711   2.454   1.046
  147    HE2  TYR  19           2HE      TYR  19   3.192  -0.721   3.919
  148    HH   TYR  19           HH       TYR  19   4.156   2.671   3.286
  149    H    SER  20           H        SER  20   4.030  -4.432   0.609
  150    HA   SER  20           HA       SER  20   4.424  -6.572  -1.299
  151    HB2  SER  20           1HB      SER  20   4.406  -7.959   0.790
  152    HB3  SER  20           2HB      SER  20   5.569  -6.623   0.802
  153    HG   SER  20           HG       SER  20   4.325  -6.851   2.758
  154    H    ASP  21           H        ASP  21   1.607  -5.268   0.317
  155    HA   ASP  21           HA       ASP  21  -0.185  -7.161  -1.048
  156    HB2  ASP  21           1HB      ASP  21   0.529  -8.172   1.205
  157    HB3  ASP  21           2HB      ASP  21  -0.299  -6.827   1.981
  158    H    VAL  22           H        VAL  22  -2.339  -6.349  -1.211
  159    HA   VAL  22           HA       VAL  22  -2.625  -3.496  -1.265
  160    HB   VAL  22           HB       VAL  22  -3.815  -5.114  -2.711
  161   HG11  VAL  22          1HG1      VAL  22  -5.867  -6.187  -2.031
  162   HG12  VAL  22          2HG1      VAL  22  -4.552  -6.767  -1.000
  163   HG13  VAL  22          3HG1      VAL  22  -5.714  -5.571  -0.379
  164   HG21  VAL  22          3HG2      VAL  22  -5.856  -3.820  -2.890
  165   HG22  VAL  22          1HG2      VAL  22  -5.668  -3.207  -1.232
  166   HG23  VAL  22          2HG2      VAL  22  -4.510  -2.741  -2.489
  167    H    LYS  23           H        LYS  23  -3.423  -5.894   1.197
  168    HA   LYS  23           HA       LYS  23  -4.966  -4.111   2.917
  169    HB2  LYS  23           1HB      LYS  23  -3.457  -6.680   3.543
  170    HB3  LYS  23           2HB      LYS  23  -4.567  -5.853   4.643
  171    HG2  LYS  23           1HG      LYS  23  -6.420  -6.119   3.035
  172    HG3  LYS  23           2HG      LYS  23  -5.362  -6.956   1.903
  173    HD2  LYS  23           1HD      LYS  23  -6.120  -7.901   4.694
  174    HD3  LYS  23           2HD      LYS  23  -6.779  -8.515   3.182
  175    HE2  LYS  23           1HE      LYS  23  -3.891  -8.782   4.134
  176    HE3  LYS  23           2HE      LYS  23  -5.115 -10.052   4.122
  177    HZ1  LYS  23           3HZ      LYS  23  -3.711 -10.272   2.192
  178    HZ2  LYS  23           1HZ      LYS  23  -3.929  -8.736   1.735
  179    HZ3  LYS  23           2HZ      LYS  23  -5.184  -9.805   1.658
  180    H    ASN  24           H        ASN  24  -1.513  -4.932   2.717
  181    HA   ASN  24           HA       ASN  24  -0.691  -3.382   5.017
  182    HB2  ASN  24           1HB      ASN  24   0.576  -5.275   3.868
  183    HB3  ASN  24           2HB      ASN  24   0.943  -4.152   2.558
  184   HD21  ASN  24          1HD2      ASN  24   3.181  -4.940   3.299
  185   HD22  ASN  24          2HD2      ASN  24   3.927  -3.961   4.556
  186    H    LEU  25           H        LEU  25  -0.901  -2.664   1.511
  187    HA   LEU  25           HA       LEU  25  -0.108   0.071   1.601
  188    HB2  LEU  25           1HB      LEU  25  -0.195  -1.114  -0.466
  189    HB3  LEU  25           2HB      LEU  25  -1.876  -1.570  -0.237
  190    HG   LEU  25           HG       LEU  25  -2.637   0.709  -0.592
  191   HD11  LEU  25          1HD1      LEU  25  -0.661   1.977   0.299
  192   HD12  LEU  25          2HD1      LEU  25  -1.129   2.465  -1.323
  193   HD13  LEU  25          3HD1      LEU  25   0.296   1.420  -1.086
  194   HD21  LEU  25          3HD2      LEU  25  -0.641  -0.153  -2.722
  195   HD22  LEU  25          1HD2      LEU  25  -2.023   0.936  -2.954
  196   HD23  LEU  25          2HD2      LEU  25  -2.304  -0.765  -2.544
  197    H    ILE  26           H        ILE  26  -3.451  -1.326   1.883
  198    HA   ILE  26           HA       ILE  26  -4.710   1.212   2.248
  199    HB   ILE  26           HB       ILE  26  -5.536  -1.618   2.910
  200   HG12  ILE  26          1HG1      ILE  26  -6.659   0.421   0.922
  201   HG13  ILE  26          2HG1      ILE  26  -5.343  -0.665   0.506
  202   HG21  ILE  26          1HG2      ILE  26  -7.166   0.932   3.332
  203   HG22  ILE  26          2HG2      ILE  26  -7.837  -0.717   3.351
  204   HG23  ILE  26          3HG2      ILE  26  -6.678  -0.238   4.586
  205   HD11  ILE  26          3HD1      ILE  26  -6.794  -2.628   1.006
  206   HD12  ILE  26          1HD1      ILE  26  -8.160  -1.513   1.268
  207   HD13  ILE  26          2HD1      ILE  26  -7.380  -1.604  -0.320
  208    H    LYS  27           H        LYS  27  -3.375  -1.057   4.686
  209    HA   LYS  27           HA       LYS  27  -4.037   0.510   6.998
  210    HB2  LYS  27           1HB      LYS  27  -1.882  -1.555   6.437
  211    HB3  LYS  27           2HB      LYS  27  -2.039  -0.755   8.006
  212    HG2  LYS  27           1HG      LYS  27  -4.322  -1.557   8.282
  213    HG3  LYS  27           2HG      LYS  27  -4.313  -2.292   6.673
  214    HD2  LYS  27           1HD      LYS  27  -2.475  -3.811   7.367
  215    HD3  LYS  27           2HD      LYS  27  -2.479  -3.071   8.984
  216    HE2  LYS  27           1HE      LYS  27  -4.867  -3.753   9.264
  217    HE3  LYS  27           2HE      LYS  27  -4.824  -4.525   7.674
  218    HZ1  LYS  27           3HZ      LYS  27  -3.090  -6.023   8.530
  219    HZ2  LYS  27           1HZ      LYS  27  -4.432  -6.133   9.453
  220    HZ3  LYS  27           2HZ      LYS  27  -3.139  -5.304   9.998
  221    H    HIS  28           H        HIS  28  -1.200   0.706   4.815
  222    HA   HIS  28           HA       HIS  28   0.104   2.845   6.227
  223    HB2  HIS  28           1HB      HIS  28   1.366   1.670   4.619
  224    HB3  HIS  28           2HB      HIS  28   0.172   1.886   3.354
  225    HD1  HIS  28           1HD      HIS  28   2.573   4.163   5.384
  226    HD2  HIS  28           2HD      HIS  28   0.550   3.858   1.714
  227    HE1  HIS  28           1HE      HIS  28   3.350   6.144   4.007
  228    H    ILE  29           H        ILE  29  -2.307   2.968   3.523
  229    HA   ILE  29           HA       ILE  29  -2.369   5.795   3.329
  230    HB   ILE  29           HB       ILE  29  -4.477   3.717   2.674
  231   HG12  ILE  29          1HG1      ILE  29  -2.731   5.412   0.825
  232   HG13  ILE  29          2HG1      ILE  29  -2.232   3.831   1.401
  233   HG21  ILE  29          1HG2      ILE  29  -4.511   6.709   2.041
  234   HG22  ILE  29          2HG2      ILE  29  -5.619   5.511   1.341
  235   HG23  ILE  29          3HG2      ILE  29  -5.678   5.837   3.060
  236   HD11  ILE  29          3HD1      ILE  29  -4.263   2.807   0.372
  237   HD12  ILE  29          1HD1      ILE  29  -4.670   4.394  -0.330
  238   HD13  ILE  29          2HD1      ILE  29  -3.175   3.580  -0.798
  239    H    ARG  30           H        ARG  30  -4.529   3.714   5.332
  240    HA   ARG  30           HA       ARG  30  -5.918   5.986   6.440
  241    HB2  ARG  30           1HB      ARG  30  -7.043   4.444   7.875
  242    HB3  ARG  30           2HB      ARG  30  -6.879   3.726   6.269
  243    HG2  ARG  30           1HG      ARG  30  -5.014   2.345   7.059
  244    HG3  ARG  30           2HG      ARG  30  -5.097   3.070   8.654
  245    HD2  ARG  30           1HD      ARG  30  -6.171   0.900   8.689
  246    HD3  ARG  30           2HD      ARG  30  -7.355   2.184   8.991
  247    HE   ARG  30           HE       ARG  30  -7.309   1.569   6.191
  248   HH11  ARG  30          2HH1      ARG  30  -8.406   0.099   9.177
  249   HH12  ARG  30          1HH1      ARG  30  -9.719  -0.736   8.395
  250   HH21  ARG  30          2HH2      ARG  30  -9.055   0.513   5.265
  251   HH22  ARG  30          1HH2      ARG  30 -10.054  -0.519   6.240
  252    H    ASP  31           H        ASP  31  -2.824   4.824   7.251
  253    HA   ASP  31           HA       ASP  31  -2.841   6.104   9.937
  254    HB2  ASP  31           1HB      ASP  31  -1.855   3.858   9.627
  255    HB3  ASP  31           2HB      ASP  31  -0.694   4.522   8.481
  256    H    ALA  32           H        ALA  32  -1.180   6.401   6.781
  257    HA   ALA  32           HA       ALA  32   0.343   8.734   7.733
  258    HB1  ALA  32           1HB      ALA  32   1.704   8.301   5.754
  259    HB2  ALA  32           2HB      ALA  32   1.447   6.800   6.666
  260    HB3  ALA  32           3HB      ALA  32   0.529   7.106   5.172
  261    H    HIS  33           H        HIS  33  -2.369   8.204   5.539
  262    HA   HIS  33           HA       HIS  33  -2.082  11.011   4.501
  263    HB2  HIS  33           1HB      HIS  33  -2.974   8.554   2.960
  264    HB3  HIS  33           2HB      HIS  33  -2.805  10.190   2.329
  265    HD1  HIS  33           1HD      HIS  33  -0.003  11.102   2.831
  266    HD2  HIS  33           2HD      HIS  33  -0.989   7.058   2.279
  267    HE1  HIS  33           1HE      HIS  33   2.148   9.960   2.096
  268    H    ASP  34           H        ASP  34  -4.359   8.462   5.382
  269    HA   ASP  34           HA       ASP  34  -6.635   8.404   5.484
  270    HB2  ASP  34           1HB      ASP  34  -7.385   9.411   7.487
  271    HB3  ASP  34           2HB      ASP  34  -5.772   8.758   7.664
  272    HA   PRO  35           HA       PRO  35  -7.624  11.864   2.607
  273    HB2  PRO  35           1HB      PRO  35  -8.941   9.653   1.057
  274    HB3  PRO  35           2HB      PRO  35  -7.905  10.991   0.467
  275    HG2  PRO  35           1HG      PRO  35  -6.901   8.485   0.681
  276    HG3  PRO  35           2HG      PRO  35  -5.922   9.888   1.239
  277    HD2  PRO  35           1HD      PRO  35  -7.693   8.070   2.904
  278    HD3  PRO  35           2HD      PRO  35  -5.977   8.502   3.161
  279    H    GLN  36           H        GLN  36  -9.611  12.836   1.944
  280    HA   GLN  36           HA       GLN  36 -12.129  11.824   3.201
  281    HB2  GLN  36           1HB      GLN  36 -11.118  14.689   3.093
  282    HB3  GLN  36           2HB      GLN  36 -12.712  14.205   3.671
  283    HG2  GLN  36           1HG      GLN  36 -10.103  13.299   4.971
  284    HG3  GLN  36           2HG      GLN  36 -11.045  14.691   5.472
  285   HE21  GLN  36          1HE2      GLN  36 -11.184  11.093   5.211
  286   HE22  GLN  36          2HE2      GLN  36 -12.437  10.947   6.444
  287    H    ASP  37           H        ASP  37 -10.996  11.575   0.445
  288    HA   ASP  37           HA       ASP  37 -13.363  12.475  -1.099
  289    HB2  ASP  37           1HB      ASP  37 -11.704  14.279  -1.348
  290    HB3  ASP  37           2HB      ASP  37 -10.491  13.117  -1.870
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1   4.181 -17.539   3.381
    2    H2   GLY   1           2H       GLY   1   5.577 -18.392   3.290
    3    H3   GLY   1           3H       GLY   1   4.253 -18.892   2.463
    4    HA2  GLY   1           1HA      GLY   1   5.740 -16.399   1.952
    5    HA3  GLY   1           2HA      GLY   1   5.841 -17.868   0.965
    6    H    SER   2           H        SER   2   5.094 -15.316  -0.018
    7    HA   SER   2           HA       SER   2   2.219 -15.061  -0.219
    8    HB2  SER   2           1HB      SER   2   4.425 -13.590  -1.694
    9    HB3  SER   2           2HB      SER   2   2.728 -13.089  -1.578
   10    HG   SER   2           HG       SER   2   2.994 -12.855   0.668
   11    H    SER   3           H        SER   3   2.976 -17.603  -1.258
   12    HA   SER   3           HA       SER   3   3.341 -17.799  -4.029
   13    HB2  SER   3           1HB      SER   3   1.783 -19.689  -2.227
   14    HB3  SER   3           2HB      SER   3   2.483 -20.078  -3.811
   15    HG   SER   3           HG       SER   3   3.858 -20.720  -2.087
   16    H    GLY   4           H        GLY   4   2.128 -17.435  -5.760
   17    HA2  GLY   4           1HA      GLY   4   0.283 -17.168  -7.146
   18    HA3  GLY   4           2HA      GLY   4  -0.796 -17.559  -5.809
   19    H    SER   5           H        SER   5   0.821 -15.247  -4.298
   20    HA   SER   5           HA       SER   5  -0.905 -13.016  -5.263
   21    HB2  SER   5           1HB      SER   5   0.629 -13.334  -2.663
   22    HB3  SER   5           2HB      SER   5  -0.445 -11.992  -3.096
   23    HG   SER   5           HG       SER   5  -1.523 -13.577  -1.832
   24    H    SER   6           H        SER   6   2.528 -13.865  -4.869
   25    HA   SER   6           HA       SER   6   3.702 -11.337  -5.184
   26    HB2  SER   6           1HB      SER   6   4.698 -14.020  -6.220
   27    HB3  SER   6           2HB      SER   6   5.685 -12.563  -6.000
   28    HG   SER   6           HG       SER   6   5.841 -13.986  -4.213
   29    H    GLY   7           H        GLY   7   1.960 -13.060  -7.634
   30    HA2  GLY   7           1HA      GLY   7   3.223 -12.052 -10.003
   31    HA3  GLY   7           2HA      GLY   7   1.581 -12.686  -9.865
   32    H    ILE   8           H        ILE   8   1.289 -10.363  -7.691
   33    HA   ILE   8           HA       ILE   8   1.070  -8.047  -9.559
   34    HB   ILE   8           HB       ILE   8  -0.866  -7.233  -8.283
   35   HG12  ILE   8          1HG1      ILE   8  -1.057 -10.027  -7.075
   36   HG13  ILE   8          2HG1      ILE   8  -0.498  -8.601  -6.198
   37   HG21  ILE   8          1HG2      ILE   8  -1.055  -8.431 -10.466
   38   HG22  ILE   8          2HG2      ILE   8  -1.369  -9.941  -9.583
   39   HG23  ILE   8          3HG2      ILE   8  -2.500  -8.575  -9.464
   40   HD11  ILE   8          3HD1      ILE   8  -2.806  -8.989  -5.645
   41   HD12  ILE   8          1HD1      ILE   8  -2.705  -7.502  -6.609
   42   HD13  ILE   8          2HD1      ILE   8  -3.282  -9.018  -7.349
   43    H    LYS   9           H        LYS   9   1.410  -6.011  -8.698
   44    HA   LYS   9           HA       LYS   9   2.806  -5.802  -6.055
   45    HB2  LYS   9           1HB      LYS   9   3.623  -4.401  -8.638
   46    HB3  LYS   9           2HB      LYS   9   4.393  -4.217  -7.068
   47    HG2  LYS   9           1HG      LYS   9   4.383  -6.743  -8.772
   48    HG3  LYS   9           2HG      LYS   9   5.710  -5.595  -8.598
   49    HD2  LYS   9           1HD      LYS   9   5.785  -6.113  -6.134
   50    HD3  LYS   9           2HD      LYS   9   4.601  -7.393  -6.394
   51    HE2  LYS   9           1HE      LYS   9   7.363  -7.200  -7.670
   52    HE3  LYS   9           2HE      LYS   9   6.922  -8.243  -6.319
   53    HZ1  LYS   9           3HZ      LYS   9   5.375  -9.422  -7.812
   54    HZ2  LYS   9           1HZ      LYS   9   6.896  -9.472  -8.394
   55    HZ3  LYS   9           2HZ      LYS   9   5.812  -8.462  -9.067
   56    H    GLN  10           H        GLN  10   2.682  -3.692  -5.079
   57    HA   GLN  10           HA       GLN  10   0.633  -1.834  -6.208
   58    HB2  GLN  10           1HB      GLN  10   0.808  -2.839  -3.340
   59    HB3  GLN  10           2HB      GLN  10  -0.156  -1.454  -3.835
   60    HG2  GLN  10           1HG      GLN  10  -0.543  -4.298  -4.870
   61    HG3  GLN  10           2HG      GLN  10  -1.473  -3.549  -3.589
   62   HE21  GLN  10          1HE2      GLN  10  -2.734  -4.597  -5.901
   63   HE22  GLN  10          2HE2      GLN  10  -3.418  -3.235  -6.772
   64    H    HIS  11           H        HIS  11   0.883   0.323  -5.755
   65    HA   HIS  11           HA       HIS  11   3.136   1.162  -4.044
   66    HB2  HIS  11           1HB      HIS  11   3.883   2.865  -5.515
   67    HB3  HIS  11           2HB      HIS  11   3.901   1.352  -6.407
   68    HD1  HIS  11           1HD      HIS  11   1.686   4.568  -6.142
   69    HD2  HIS  11           2HD      HIS  11   2.564   1.316  -8.681
   70    HE1  HIS  11           1HE      HIS  11   0.527   5.050  -8.351
   71    H    CYS  12           H        CYS  12   2.802   3.133  -2.923
   72    HA   CYS  12           HA       CYS  12   0.132   3.747  -2.250
   73    HB2  CYS  12           1HB      CYS  12   2.040   4.064  -0.793
   74    HB3  CYS  12           2HB      CYS  12   2.702   5.305  -1.872
   75    H    ARG  13           H        ARG  13  -1.199   5.319  -2.576
   76    HA   ARG  13           HA       ARG  13  -1.425   6.390  -5.302
   77    HB2  ARG  13           1HB      ARG  13  -3.131   6.957  -2.842
   78    HB3  ARG  13           2HB      ARG  13  -3.584   7.183  -4.521
   79    HG2  ARG  13           1HG      ARG  13  -3.171   4.505  -3.114
   80    HG3  ARG  13           2HG      ARG  13  -4.684   5.290  -3.490
   81    HD2  ARG  13           1HD      ARG  13  -4.727   4.107  -5.375
   82    HD3  ARG  13           2HD      ARG  13  -3.497   5.196  -6.000
   83    HE   ARG  13           HE       ARG  13  -1.788   3.545  -5.066
   84   HH11  ARG  13          1HH1      ARG  13  -4.938   2.316  -6.074
   85   HH12  ARG  13          2HH1      ARG  13  -4.302   0.704  -6.277
   86   HH21  ARG  13          2HH2      ARG  13  -1.134   1.535  -5.277
   87   HH22  ARG  13          1HH2      ARG  13  -2.199   0.241  -5.804
   88    H    PHE  14           H        PHE  14  -0.440   7.547  -2.194
   89    HA   PHE  14           HA       PHE  14  -0.532  10.408  -3.040
   90    HB2  PHE  14           1HB      PHE  14  -0.339   9.181  -0.290
   91    HB3  PHE  14           2HB      PHE  14  -0.609  10.877  -0.654
   92    HD1  PHE  14           2HD      PHE  14  -2.796  11.544  -1.835
   93    HD2  PHE  14           1HD      PHE  14  -2.148   7.637  -0.127
   94    HE1  PHE  14           2HE      PHE  14  -5.250  11.144  -1.808
   95    HE2  PHE  14           1HE      PHE  14  -4.601   7.243  -0.100
   96    HZ   PHE  14           HZ       PHE  14  -6.152   8.996  -0.938
   97    H    CYS  15           H        CYS  15   1.801   7.999  -1.826
   98    HA   CYS  15           HA       CYS  15   3.958  10.004  -2.271
   99    HB2  CYS  15           1HB      CYS  15   5.156   9.361  -0.352
  100    HB3  CYS  15           2HB      CYS  15   3.544   9.896   0.105
  101    H    LYS  16           H        LYS  16   2.829   7.229  -3.453
  102    HA   LYS  16           HA       LYS  16   3.579   5.514  -4.721
  103    HB2  LYS  16           1HB      LYS  16   5.777   7.481  -5.401
  104    HB3  LYS  16           2HB      LYS  16   5.351   6.039  -6.329
  105    HG2  LYS  16           1HG      LYS  16   3.058   6.926  -6.693
  106    HG3  LYS  16           2HG      LYS  16   3.476   8.381  -5.781
  107    HD2  LYS  16           1HD      LYS  16   3.608   8.898  -8.112
  108    HD3  LYS  16           2HD      LYS  16   5.247   8.917  -7.445
  109    HE2  LYS  16           1HE      LYS  16   5.649   6.643  -8.369
  110    HE3  LYS  16           2HE      LYS  16   3.993   6.596  -8.989
  111    HZ1  LYS  16           3HZ      LYS  16   4.549   8.493 -10.418
  112    HZ2  LYS  16           1HZ      LYS  16   5.571   7.257 -10.714
  113    HZ3  LYS  16           2HZ      LYS  16   6.077   8.539  -9.840
  114    H    LYS  17           H        LYS  17   4.772   5.569  -1.900
  115    HA   LYS  17           HA       LYS  17   7.101   3.932  -1.903
  116    HB2  LYS  17           1HB      LYS  17   5.978   5.056   0.072
  117    HB3  LYS  17           2HB      LYS  17   4.733   3.822   0.028
  118    HG2  LYS  17           1HG      LYS  17   6.334   2.073   0.524
  119    HG3  LYS  17           2HG      LYS  17   7.705   3.174   0.290
  120    HD2  LYS  17           1HD      LYS  17   7.041   4.499   2.233
  121    HD3  LYS  17           2HD      LYS  17   5.619   3.490   2.501
  122    HE2  LYS  17           1HE      LYS  17   8.506   2.488   2.560
  123    HE3  LYS  17           2HE      LYS  17   7.594   2.983   3.988
  124    HZ1  LYS  17           3HZ      LYS  17   5.976   1.239   3.500
  125    HZ2  LYS  17           1HZ      LYS  17   7.467   0.594   3.695
  126    HZ3  LYS  17           2HZ      LYS  17   6.836   0.738   2.195
  127    H    LYS  18           H        LYS  18   7.419   1.786  -2.240
  128    HA   LYS  18           HA       LYS  18   5.332   0.204  -3.564
  129    HB2  LYS  18           1HB      LYS  18   8.183  -0.504  -2.770
  130    HB3  LYS  18           2HB      LYS  18   7.085  -1.570  -3.660
  131    HG2  LYS  18           1HG      LYS  18   6.879   0.128  -5.465
  132    HG3  LYS  18           2HG      LYS  18   8.021   1.176  -4.601
  133    HD2  LYS  18           1HD      LYS  18   9.777  -0.581  -4.787
  134    HD3  LYS  18           2HD      LYS  18   8.621  -1.645  -5.594
  135    HE2  LYS  18           1HE      LYS  18   9.991  -0.700  -7.298
  136    HE3  LYS  18           2HE      LYS  18   8.387   0.021  -7.444
  137    HZ1  LYS  18           3HZ      LYS  18  10.731   1.317  -6.142
  138    HZ2  LYS  18           1HZ      LYS  18   9.256   2.005  -6.315
  139    HZ3  LYS  18           2HZ      LYS  18  10.166   1.679  -7.627
  140    H    TYR  19           H        TYR  19   4.161  -1.435  -2.850
  141    HA   TYR  19           HA       TYR  19   4.470  -2.436  -0.069
  142    HB2  TYR  19           1HB      TYR  19   2.106  -1.007  -1.259
  143    HB3  TYR  19           2HB      TYR  19   1.802  -2.356  -0.172
  144    HD1  TYR  19           2HD      TYR  19   2.602  -2.383   2.135
  145    HD2  TYR  19           1HD      TYR  19   3.109   1.114  -0.351
  146    HE1  TYR  19           2HE      TYR  19   3.275  -1.065   4.132
  147    HE2  TYR  19           1HE      TYR  19   3.741   2.433   1.659
  148    HH   TYR  19           HH       TYR  19   4.010   0.951   4.914
  149    H    SER  20           H        SER  20   3.732  -4.465   0.387
  150    HA   SER  20           HA       SER  20   4.084  -6.343  -1.779
  151    HB2  SER  20           1HB      SER  20   3.981  -7.997   0.096
  152    HB3  SER  20           2HB      SER  20   5.164  -6.699   0.330
  153    HG   SER  20           HG       SER  20   4.007  -6.984   2.224
  154    H    ASP  21           H        ASP  21   1.265  -5.129  -0.125
  155    HA   ASP  21           HA       ASP  21  -0.539  -6.753  -1.779
  156    HB2  ASP  21           1HB      ASP  21  -0.060  -8.157   0.264
  157    HB3  ASP  21           2HB      ASP  21  -0.679  -6.847   1.269
  158    H    VAL  22           H        VAL  22  -2.689  -5.850  -1.861
  159    HA   VAL  22           HA       VAL  22  -2.802  -3.012  -1.666
  160    HB   VAL  22           HB       VAL  22  -4.140  -4.427  -3.193
  161   HG11  VAL  22          1HG1      VAL  22  -6.253  -5.381  -2.560
  162   HG12  VAL  22          2HG1      VAL  22  -4.988  -6.122  -1.571
  163   HG13  VAL  22          3HG1      VAL  22  -6.052  -4.877  -0.874
  164   HG21  VAL  22          3HG2      VAL  22  -6.099  -2.960  -3.204
  165   HG22  VAL  22          1HG2      VAL  22  -5.770  -2.456  -1.532
  166   HG23  VAL  22          2HG2      VAL  22  -4.638  -2.029  -2.831
  167    H    LYS  23           H        LYS  23  -3.859  -5.493   0.669
  168    HA   LYS  23           HA       LYS  23  -5.166  -3.510   2.393
  169    HB2  LYS  23           1HB      LYS  23  -4.240  -6.342   3.062
  170    HB3  LYS  23           2HB      LYS  23  -5.326  -5.352   4.030
  171    HG2  LYS  23           1HG      LYS  23  -5.913  -6.457   1.248
  172    HG3  LYS  23           2HG      LYS  23  -6.546  -7.053   2.780
  173    HD2  LYS  23           1HD      LYS  23  -7.694  -4.858   3.146
  174    HD3  LYS  23           2HD      LYS  23  -7.130  -4.324   1.545
  175    HE2  LYS  23           1HE      LYS  23  -8.295  -6.237   0.487
  176    HE3  LYS  23           2HE      LYS  23  -8.846  -6.790   2.073
  177    HZ1  LYS  23           3HZ      LYS  23 -10.562  -5.499   0.950
  178    HZ2  LYS  23           1HZ      LYS  23  -9.591  -4.195   0.825
  179    HZ3  LYS  23           2HZ      LYS  23 -10.095  -4.708   2.296
  180    H    ASN  24           H        ASN  24  -1.887  -4.826   2.227
  181    HA   ASN  24           HA       ASN  24  -0.963  -3.498   4.659
  182    HB2  ASN  24           1HB      ASN  24   0.483  -4.574   2.203
  183    HB3  ASN  24           2HB      ASN  24   1.307  -3.800   3.553
  184   HD21  ASN  24          1HD2      ASN  24   1.828  -6.481   2.761
  185   HD22  ASN  24          2HD2      ASN  24   1.316  -7.489   4.108
  186    H    LEU  25           H        LEU  25  -1.322  -2.490   1.252
  187    HA   LEU  25           HA       LEU  25  -0.298   0.163   1.725
  188    HB2  LEU  25           1HB      LEU  25  -0.337  -0.716  -0.501
  189    HB3  LEU  25           2HB      LEU  25  -2.070  -1.021  -0.426
  190    HG   LEU  25           HG       LEU  25  -2.570   1.350  -0.389
  191   HD11  LEU  25          1HD1      LEU  25  -0.914   3.073  -0.593
  192   HD12  LEU  25          2HD1      LEU  25   0.415   1.879  -0.696
  193   HD13  LEU  25          3HD1      LEU  25  -0.482   2.129   0.809
  194   HD21  LEU  25          3HD2      LEU  25  -0.590   0.651  -2.584
  195   HD22  LEU  25          1HD2      LEU  25  -1.819   1.934  -2.644
  196   HD23  LEU  25          2HD2      LEU  25  -2.318   0.234  -2.563
  197    H    ILE  26           H        ILE  26  -3.705  -1.136   1.862
  198    HA   ILE  26           HA       ILE  26  -4.941   1.291   2.574
  199    HB   ILE  26           HB       ILE  26  -5.626  -1.489   3.584
  200   HG12  ILE  26          1HG1      ILE  26  -6.105  -1.893   1.405
  201   HG13  ILE  26          2HG1      ILE  26  -7.593  -1.131   1.839
  202   HG21  ILE  26          1HG2      ILE  26  -7.896  -0.557   3.971
  203   HG22  ILE  26          2HG2      ILE  26  -6.683   0.212   4.979
  204   HG23  ILE  26          3HG2      ILE  26  -7.284   1.056   3.530
  205   HD11  ILE  26          3HD1      ILE  26  -5.280   0.088   0.311
  206   HD12  ILE  26          1HD1      ILE  26  -6.894  -0.307  -0.283
  207   HD13  ILE  26          2HD1      ILE  26  -6.692   1.033   0.874
  208    H    LYS  27           H        LYS  27  -3.344  -1.089   4.719
  209    HA   LYS  27           HA       LYS  27  -3.662   0.276   7.204
  210    HB2  LYS  27           1HB      LYS  27  -1.594  -1.673   6.130
  211    HB3  LYS  27           2HB      LYS  27  -1.543  -1.086   7.792
  212    HG2  LYS  27           1HG      LYS  27  -3.535  -2.157   8.401
  213    HG3  LYS  27           2HG      LYS  27  -4.102  -2.314   6.740
  214    HD2  LYS  27           1HD      LYS  27  -3.427  -4.480   7.701
  215    HD3  LYS  27           2HD      LYS  27  -2.519  -4.061   6.253
  216    HE2  LYS  27           1HE      LYS  27  -0.619  -3.281   7.709
  217    HE3  LYS  27           2HE      LYS  27  -1.529  -3.825   9.126
  218    HZ1  LYS  27           3HZ      LYS  27   0.037  -5.524   8.365
  219    HZ2  LYS  27           1HZ      LYS  27  -0.635  -5.571   6.876
  220    HZ3  LYS  27           2HZ      LYS  27  -1.483  -6.084   8.182
  221    H    HIS  28           H        HIS  28  -1.244   0.806   4.659
  222    HA   HIS  28           HA       HIS  28   0.252   2.818   6.152
  223    HB2  HIS  28           1HB      HIS  28   1.368   1.663   4.423
  224    HB3  HIS  28           2HB      HIS  28   0.115   1.980   3.243
  225    HD1  HIS  28           1HD      HIS  28   2.977   3.855   5.001
  226    HD2  HIS  28           2HD      HIS  28   0.268   4.162   1.808
  227    HE1  HIS  28           1HE      HIS  28   3.708   5.890   3.673
  228    H    ILE  29           H        ILE  29  -2.327   3.009   3.636
  229    HA   ILE  29           HA       ILE  29  -2.449   5.843   3.498
  230    HB   ILE  29           HB       ILE  29  -4.496   3.685   2.909
  231   HG12  ILE  29          1HG1      ILE  29  -2.942   5.498   1.004
  232   HG13  ILE  29          2HG1      ILE  29  -2.321   3.945   1.536
  233   HG21  ILE  29          1HG2      ILE  29  -5.794   5.714   3.390
  234   HG22  ILE  29          2HG2      ILE  29  -4.732   6.678   2.342
  235   HG23  ILE  29          3HG2      ILE  29  -5.795   5.428   1.662
  236   HD11  ILE  29          3HD1      ILE  29  -4.325   2.803   0.604
  237   HD12  ILE  29          1HD1      ILE  29  -4.874   4.363  -0.061
  238   HD13  ILE  29          2HD1      ILE  29  -3.351   3.659  -0.614
  239    H    ARG  30           H        ARG  30  -4.368   3.634   5.588
  240    HA   ARG  30           HA       ARG  30  -5.796   5.790   6.861
  241    HB2  ARG  30           1HB      ARG  30  -6.762   4.181   8.261
  242    HB3  ARG  30           2HB      ARG  30  -6.568   3.410   6.681
  243    HG2  ARG  30           1HG      ARG  30  -4.526   2.250   7.554
  244    HG3  ARG  30           2HG      ARG  30  -4.811   2.978   9.137
  245    HD2  ARG  30           1HD      ARG  30  -7.111   1.912   9.145
  246    HD3  ARG  30           2HD      ARG  30  -6.688   1.104   7.638
  247    HE   ARG  30           HE       ARG  30  -5.463  -0.448   8.819
  248   HH11  ARG  30          2HH1      ARG  30  -6.007   2.228  11.025
  249   HH12  ARG  30          1HH1      ARG  30  -5.370   1.347  12.384
  250   HH21  ARG  30          2HH2      ARG  30  -4.658  -1.502  10.608
  251   HH22  ARG  30          1HH2      ARG  30  -4.627  -0.694  12.145
  252    H    ASP  31           H        ASP  31  -2.575   5.048   7.266
  253    HA   ASP  31           HA       ASP  31  -2.501   6.229  10.012
  254    HB2  ASP  31           1HB      ASP  31  -1.479   3.997   9.733
  255    HB3  ASP  31           2HB      ASP  31  -0.393   4.641   8.504
  256    H    ALA  32           H        ALA  32  -0.949   6.447   6.787
  257    HA   ALA  32           HA       ALA  32   0.469   8.912   7.551
  258    HB1  ALA  32           1HB      ALA  32   1.737   8.458   5.500
  259    HB2  ALA  32           2HB      ALA  32   1.649   7.012   6.525
  260    HB3  ALA  32           3HB      ALA  32   0.623   7.141   5.079
  261    H    HIS  33           H        HIS  33  -2.326   8.106   5.567
  262    HA   HIS  33           HA       HIS  33  -2.381  10.869   4.427
  263    HB2  HIS  33           1HB      HIS  33  -2.991   8.325   2.895
  264    HB3  HIS  33           2HB      HIS  33  -2.938   9.964   2.257
  265    HD1  HIS  33           1HD      HIS  33  -0.241  11.094   2.595
  266    HD2  HIS  33           2HD      HIS  33  -0.903   6.955   2.357
  267    HE1  HIS  33           1HE      HIS  33   1.968  10.082   1.829
  268    H    ASP  34           H        ASP  34  -3.949   9.372   6.617
  269    HA   ASP  34           HA       ASP  34  -6.463   8.627   5.835
  270    HB2  ASP  34           1HB      ASP  34  -5.438   8.197   7.998
  271    HB3  ASP  34           2HB      ASP  34  -5.600   9.891   8.450
  272    HA   PRO  35           HA       PRO  35  -8.084  12.635   4.581
  273    HB2  PRO  35           1HB      PRO  35 -10.471  11.868   3.494
  274    HB3  PRO  35           2HB      PRO  35  -8.888  11.514   2.737
  275    HG2  PRO  35           1HG      PRO  35 -10.539   9.690   4.521
  276    HG3  PRO  35           2HG      PRO  35  -9.816   9.314   2.921
  277    HD2  PRO  35           1HD      PRO  35  -8.565   8.643   5.244
  278    HD3  PRO  35           2HD      PRO  35  -7.630   9.215   3.836
  279    H    GLN  36           H        GLN  36  -9.820  14.109   4.966
  280    HA   GLN  36           HA       GLN  36 -10.671  14.131   7.711
  281    HB2  GLN  36           1HB      GLN  36 -11.317  16.356   7.327
  282    HB3  GLN  36           2HB      GLN  36  -9.823  16.108   6.446
  283    HG2  GLN  36           1HG      GLN  36 -12.620  16.126   5.195
  284    HG3  GLN  36           2HG      GLN  36 -11.557  17.512   5.286
  285   HE21  GLN  36          1HE2      GLN  36 -12.527  16.755   2.811
  286   HE22  GLN  36          2HE2      GLN  36 -11.194  16.094   1.874
  287    H    ASP  37           H        ASP  37 -12.209  12.709   5.082
  288    HA   ASP  37           HA       ASP  37 -14.852  12.630   6.436
  289    HB2  ASP  37           1HB      ASP  37 -14.981  14.478   4.816
  290    HB3  ASP  37           2HB      ASP  37 -14.423  13.423   3.529
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  20.489 -17.924 -11.744
    2    H2   GLY   1           2H       GLY   1  20.829 -19.392 -11.099
    3    H3   GLY   1           3H       GLY   1  19.409 -18.652 -10.752
    4    HA2  GLY   1           1HA      GLY   1  20.226 -19.650 -13.406
    5    HA3  GLY   1           2HA      GLY   1  19.043 -20.422 -12.335
    6    H    SER   2           H        SER   2  17.393 -20.250 -13.908
    7    HA   SER   2           HA       SER   2  16.605 -17.829 -15.203
    8    HB2  SER   2           1HB      SER   2  14.962 -20.323 -14.630
    9    HB3  SER   2           2HB      SER   2  14.592 -19.071 -15.830
   10    HG   SER   2           HG       SER   2  15.663 -20.881 -16.764
   11    H    SER   3           H        SER   3  14.701 -16.563 -14.953
   12    HA   SER   3           HA       SER   3  14.122 -15.646 -12.330
   13    HB2  SER   3           1HB      SER   3  12.514 -15.244 -14.880
   14    HB3  SER   3           2HB      SER   3  12.409 -14.265 -13.404
   15    HG   SER   3           HG       SER   3  13.779 -13.311 -14.991
   16    H    GLY   4           H        GLY   4  12.298 -15.761 -11.029
   17    HA2  GLY   4           1HA      GLY   4  10.095 -17.649 -11.599
   18    HA3  GLY   4           2HA      GLY   4  11.222 -18.122 -10.324
   19    H    SER   5           H        SER   5  10.259 -14.759 -10.941
   20    HA   SER   5           HA       SER   5   9.644 -14.207  -8.233
   21    HB2  SER   5           1HB      SER   5   8.800 -12.651 -10.703
   22    HB3  SER   5           2HB      SER   5   8.888 -12.035  -9.041
   23    HG   SER   5           HG       SER   5  10.767 -11.508 -10.258
   24    H    SER   6           H        SER   6   7.737 -13.719  -7.147
   25    HA   SER   6           HA       SER   6   5.114 -14.490  -8.301
   26    HB2  SER   6           1HB      SER   6   4.672 -16.028  -6.450
   27    HB3  SER   6           2HB      SER   6   6.075 -16.555  -7.385
   28    HG   SER   6           HG       SER   6   6.458 -16.671  -5.125
   29    H    GLY   7           H        GLY   7   3.330 -14.152  -6.655
   30    HA2  GLY   7           1HA      GLY   7   2.246 -12.918  -4.997
   31    HA3  GLY   7           2HA      GLY   7   3.744 -12.093  -4.596
   32    H    ILE   8           H        ILE   8   1.887 -10.449  -4.466
   33    HA   ILE   8           HA       ILE   8   1.188  -9.157  -7.054
   34    HB   ILE   8           HB       ILE   8   0.051  -8.662  -4.280
   35   HG12  ILE   8          1HG1      ILE   8  -0.493 -10.958  -4.840
   36   HG13  ILE   8          2HG1      ILE   8  -1.920  -9.958  -4.944
   37   HG21  ILE   8          1HG2      ILE   8  -1.886  -7.705  -5.564
   38   HG22  ILE   8          2HG2      ILE   8  -0.402  -6.762  -5.664
   39   HG23  ILE   8          3HG2      ILE   8  -0.897  -7.784  -7.035
   40   HD11  ILE   8          3HD1      ILE   8  -0.297 -10.959  -7.330
   41   HD12  ILE   8          1HD1      ILE   8  -1.853 -11.586  -6.769
   42   HD13  ILE   8          2HD1      ILE   8  -1.759  -9.948  -7.429
   43    H    LYS   9           H        LYS   9   1.405  -6.878  -7.323
   44    HA   LYS   9           HA       LYS   9   3.197  -5.427  -5.424
   45    HB2  LYS   9           1HB      LYS   9   3.408  -5.391  -8.459
   46    HB3  LYS   9           2HB      LYS   9   4.226  -4.260  -7.373
   47    HG2  LYS   9           1HG      LYS   9   5.382  -6.172  -6.261
   48    HG3  LYS   9           2HG      LYS   9   4.654  -7.283  -7.427
   49    HD2  LYS   9           1HD      LYS   9   6.517  -4.969  -8.123
   50    HD3  LYS   9           2HD      LYS   9   6.993  -6.668  -7.981
   51    HE2  LYS   9           1HE      LYS   9   5.401  -7.265  -9.805
   52    HE3  LYS   9           2HE      LYS   9   4.972  -5.558  -9.982
   53    HZ1  LYS   9           3HZ      LYS   9   7.295  -5.103 -10.568
   54    HZ2  LYS   9           1HZ      LYS   9   6.668  -6.211 -11.588
   55    HZ3  LYS   9           2HZ      LYS   9   7.691  -6.682 -10.408
   56    H    GLN  10           H        GLN  10   2.431  -3.580  -4.765
   57    HA   GLN  10           HA       GLN  10   0.348  -2.080  -6.297
   58    HB2  GLN  10           1HB      GLN  10   0.346  -2.657  -3.302
   59    HB3  GLN  10           2HB      GLN  10  -0.801  -1.628  -4.153
   60    HG2  GLN  10           1HG      GLN  10  -0.500  -4.628  -4.573
   61    HG3  GLN  10           2HG      GLN  10  -1.720  -3.849  -3.590
   62   HE21  GLN  10          1HE2      GLN  10  -2.565  -5.553  -5.596
   63   HE22  GLN  10          2HE2      GLN  10  -3.311  -4.591  -6.862
   64    H    HIS  11           H        HIS  11   0.243   0.234  -5.730
   65    HA   HIS  11           HA       HIS  11   2.529   1.249  -4.163
   66    HB2  HIS  11           1HB      HIS  11   3.225   2.853  -5.737
   67    HB3  HIS  11           2HB      HIS  11   3.198   1.303  -6.563
   68    HD1  HIS  11           1HD      HIS  11   1.141   4.590  -6.385
   69    HD2  HIS  11           2HD      HIS  11   1.662   1.126  -8.730
   70    HE1  HIS  11           1HE      HIS  11  -0.166   4.978  -8.543
   71    H    CYS  12           H        CYS  12   2.347   3.255  -3.249
   72    HA   CYS  12           HA       CYS  12  -0.280   4.165  -2.463
   73    HB2  CYS  12           1HB      CYS  12   1.736   4.169  -1.033
   74    HB3  CYS  12           2HB      CYS  12   2.476   5.384  -2.091
   75    H    ARG  13           H        ARG  13  -1.204   6.099  -2.815
   76    HA   ARG  13           HA       ARG  13  -0.938   7.306  -5.530
   77    HB2  ARG  13           1HB      ARG  13  -3.096   6.473  -4.760
   78    HB3  ARG  13           2HB      ARG  13  -3.049   7.544  -3.356
   79    HG2  ARG  13           1HG      ARG  13  -3.178   9.519  -4.763
   80    HG3  ARG  13           2HG      ARG  13  -3.003   8.551  -6.236
   81    HD2  ARG  13           1HD      ARG  13  -5.288   8.316  -4.243
   82    HD3  ARG  13           2HD      ARG  13  -5.354   9.311  -5.695
   83    HE   ARG  13           HE       ARG  13  -5.590   6.396  -5.518
   84   HH11  ARG  13          2HH1      ARG  13  -4.960   9.012  -7.770
   85   HH12  ARG  13          1HH1      ARG  13  -5.386   8.040  -9.150
   86   HH21  ARG  13          2HH2      ARG  13  -6.111   5.221  -7.323
   87   HH22  ARG  13          1HH2      ARG  13  -6.020   5.953  -8.897
   88    H    PHE  14           H        PHE  14  -0.213   8.043  -2.214
   89    HA   PHE  14           HA       PHE  14  -0.118  10.974  -2.762
   90    HB2  PHE  14           1HB      PHE  14  -0.211   9.493  -0.136
   91    HB3  PHE  14           2HB      PHE  14  -0.456  11.209  -0.387
   92    HD1  PHE  14           2HD      PHE  14  -2.504  11.908  -1.884
   93    HD2  PHE  14           1HD      PHE  14  -2.033   7.967  -0.197
   94    HE1  PHE  14           2HE      PHE  14  -4.934  11.481  -2.187
   95    HE2  PHE  14           1HE      PHE  14  -4.461   7.549  -0.489
   96    HZ   PHE  14           HZ       PHE  14  -5.914   9.304  -1.488
   97    H    CYS  15           H        CYS  15   1.984   8.362  -1.648
   98    HA   CYS  15           HA       CYS  15   4.288  10.259  -1.687
   99    HB2  CYS  15           1HB      CYS  15   5.259   9.233   0.230
  100    HB3  CYS  15           2HB      CYS  15   3.641   9.807   0.620
  101    H    LYS  16           H        LYS  16   3.049   7.706  -3.258
  102    HA   LYS  16           HA       LYS  16   3.749   6.104  -4.673
  103    HB2  LYS  16           1HB      LYS  16   6.278   7.746  -4.968
  104    HB3  LYS  16           2HB      LYS  16   5.608   6.619  -6.133
  105    HG2  LYS  16           1HG      LYS  16   4.439   9.298  -5.291
  106    HG3  LYS  16           2HG      LYS  16   5.172   8.897  -6.831
  107    HD2  LYS  16           1HD      LYS  16   2.525   7.855  -5.741
  108    HD3  LYS  16           2HD      LYS  16   2.735   9.021  -7.031
  109    HE2  LYS  16           1HE      LYS  16   3.642   6.105  -7.154
  110    HE3  LYS  16           2HE      LYS  16   2.126   6.724  -7.809
  111    HZ1  LYS  16           3HZ      LYS  16   3.412   8.159  -9.299
  112    HZ2  LYS  16           1HZ      LYS  16   3.811   6.597  -9.537
  113    HZ3  LYS  16           2HZ      LYS  16   4.825   7.577  -8.719
  114    H    LYS  17           H        LYS  17   4.697   5.751  -1.766
  115    HA   LYS  17           HA       LYS  17   6.836   3.822  -1.863
  116    HB2  LYS  17           1HB      LYS  17   4.444   4.186  -0.010
  117    HB3  LYS  17           2HB      LYS  17   5.562   2.832   0.160
  118    HG2  LYS  17           1HG      LYS  17   7.473   4.457   0.341
  119    HG3  LYS  17           2HG      LYS  17   6.287   5.769   0.332
  120    HD2  LYS  17           1HD      LYS  17   6.744   5.360   2.629
  121    HD3  LYS  17           2HD      LYS  17   5.163   4.650   2.297
  122    HE2  LYS  17           1HE      LYS  17   6.310   3.130   3.709
  123    HE3  LYS  17           2HE      LYS  17   6.234   2.391   2.116
  124    HZ1  LYS  17           3HZ      LYS  17   8.604   3.800   3.246
  125    HZ2  LYS  17           1HZ      LYS  17   8.562   3.099   1.769
  126    HZ3  LYS  17           2HZ      LYS  17   8.447   2.184   3.115
  127    H    LYS  18           H        LYS  18   6.573   1.534  -1.558
  128    HA   LYS  18           HA       LYS  18   4.508   0.341  -3.382
  129    HB2  LYS  18           1HB      LYS  18   7.521   0.172  -3.574
  130    HB3  LYS  18           2HB      LYS  18   6.477  -1.067  -4.287
  131    HG2  LYS  18           1HG      LYS  18   5.392   0.448  -5.731
  132    HG3  LYS  18           2HG      LYS  18   5.991   1.875  -4.903
  133    HD2  LYS  18           1HD      LYS  18   7.832  -0.072  -6.330
  134    HD3  LYS  18           2HD      LYS  18   7.086   1.298  -7.148
  135    HE2  LYS  18           1HE      LYS  18   8.817   1.583  -4.649
  136    HE3  LYS  18           2HE      LYS  18   9.457   1.655  -6.291
  137    HZ1  LYS  18           3HZ      LYS  18   8.990   3.872  -5.462
  138    HZ2  LYS  18           1HZ      LYS  18   7.413   3.542  -5.207
  139    HZ3  LYS  18           2HZ      LYS  18   8.016   3.561  -6.728
  140    H    TYR  19           H        TYR  19   3.769  -1.589  -2.992
  141    HA   TYR  19           HA       TYR  19   4.540  -2.965  -0.453
  142    HB2  TYR  19           1HB      TYR  19   1.850  -1.863  -1.328
  143    HB3  TYR  19           2HB      TYR  19   1.994  -3.113  -0.102
  144    HD1  TYR  19           1HD      TYR  19   2.653   0.470  -0.832
  145    HD2  TYR  19           2HD      TYR  19   3.011  -2.712   2.055
  146    HE1  TYR  19           1HE      TYR  19   3.319   2.125   0.925
  147    HE2  TYR  19           2HE      TYR  19   3.616  -1.073   3.807
  148    HH   TYR  19           HH       TYR  19   4.146   1.111   4.259
  149    H    SER  20           H        SER  20   4.017  -5.116  -0.233
  150    HA   SER  20           HA       SER  20   3.749  -6.677  -2.695
  151    HB2  SER  20           1HB      SER  20   4.211  -8.581  -1.152
  152    HB3  SER  20           2HB      SER  20   5.448  -7.312  -1.129
  153    HG   SER  20           HG       SER  20   4.843  -7.996   0.993
  154    H    ASP  21           H        ASP  21   1.515  -5.441  -0.452
  155    HA   ASP  21           HA       ASP  21  -0.631  -7.188  -1.455
  156    HB2  ASP  21           1HB      ASP  21   0.390  -8.264   0.630
  157    HB3  ASP  21           2HB      ASP  21  -0.174  -6.864   1.539
  158    H    VAL  22           H        VAL  22  -2.615  -6.162  -1.511
  159    HA   VAL  22           HA       VAL  22  -2.638  -3.297  -1.396
  160    HB   VAL  22           HB       VAL  22  -3.970  -4.788  -2.911
  161   HG11  VAL  22          1HG1      VAL  22  -6.151  -5.583  -2.273
  162   HG12  VAL  22          2HG1      VAL  22  -4.946  -6.318  -1.205
  163   HG13  VAL  22          3HG1      VAL  22  -5.961  -4.977  -0.621
  164   HG21  VAL  22          3HG2      VAL  22  -5.850  -3.234  -3.089
  165   HG22  VAL  22          1HG2      VAL  22  -5.522  -2.609  -1.460
  166   HG23  VAL  22          2HG2      VAL  22  -4.344  -2.360  -2.765
  167    H    LYS  23           H        LYS  23  -3.567  -5.727   0.968
  168    HA   LYS  23           HA       LYS  23  -5.039  -3.888   2.711
  169    HB2  LYS  23           1HB      LYS  23  -3.785  -6.603   3.278
  170    HB3  LYS  23           2HB      LYS  23  -4.802  -5.700   4.399
  171    HG2  LYS  23           1HG      LYS  23  -6.684  -5.736   2.871
  172    HG3  LYS  23           2HG      LYS  23  -5.755  -6.555   1.620
  173    HD2  LYS  23           1HD      LYS  23  -5.969  -7.898   4.319
  174    HD3  LYS  23           2HD      LYS  23  -7.401  -7.829   3.302
  175    HE2  LYS  23           1HE      LYS  23  -6.314  -9.917   2.885
  176    HE3  LYS  23           2HE      LYS  23  -6.214  -8.911   1.439
  177    HZ1  LYS  23           3HZ      LYS  23  -3.905  -8.422   1.977
  178    HZ2  LYS  23           1HZ      LYS  23  -4.105 -10.026   1.943
  179    HZ3  LYS  23           2HZ      LYS  23  -3.997  -9.273   3.387
  180    H    ASN  24           H        ASN  24  -1.636  -4.932   2.520
  181    HA   ASN  24           HA       ASN  24  -0.783  -3.476   4.868
  182    HB2  ASN  24           1HB      ASN  24   0.427  -5.380   3.624
  183    HB3  ASN  24           2HB      ASN  24   0.920  -4.165   2.439
  184   HD21  ASN  24          1HD2      ASN  24   3.005  -5.308   3.410
  185   HD22  ASN  24          2HD2      ASN  24   3.743  -4.400   4.720
  186    H    LEU  25           H        LEU  25  -0.958  -2.632   1.385
  187    HA   LEU  25           HA       LEU  25  -0.070   0.068   1.600
  188    HB2  LEU  25           1HB      LEU  25  -0.227  -0.989  -0.537
  189    HB3  LEU  25           2HB      LEU  25  -1.925  -1.381  -0.311
  190    HG   LEU  25           HG       LEU  25  -2.556   0.983  -0.448
  191   HD11  LEU  25          1HD1      LEU  25   0.393   1.500  -1.094
  192   HD12  LEU  25          2HD1      LEU  25  -0.410   1.996   0.407
  193   HD13  LEU  25          3HD1      LEU  25  -0.934   2.682  -1.123
  194   HD21  LEU  25          3HD2      LEU  25  -2.118   1.302  -2.810
  195   HD22  LEU  25          1HD2      LEU  25  -2.438  -0.411  -2.493
  196   HD23  LEU  25          2HD2      LEU  25  -0.767   0.155  -2.754
  197    H    ILE  26           H        ILE  26  -3.436  -1.249   1.938
  198    HA   ILE  26           HA       ILE  26  -4.599   1.322   2.427
  199    HB   ILE  26           HB       ILE  26  -5.533  -1.499   2.958
  200   HG12  ILE  26          1HG1      ILE  26  -6.605   0.652   1.069
  201   HG13  ILE  26          2HG1      ILE  26  -5.293  -0.410   0.596
  202   HG21  ILE  26          1HG2      ILE  26  -6.632  -0.141   4.689
  203   HG22  ILE  26          2HG2      ILE  26  -7.066   1.093   3.482
  204   HG23  ILE  26          3HG2      ILE  26  -7.799  -0.525   3.431
  205   HD11  ILE  26          3HD1      ILE  26  -6.732  -2.395   0.967
  206   HD12  ILE  26          1HD1      ILE  26  -8.100  -1.310   1.322
  207   HD13  ILE  26          2HD1      ILE  26  -7.340  -1.288  -0.280
  208    H    LYS  27           H        LYS  27  -3.278  -1.089   4.737
  209    HA   LYS  27           HA       LYS  27  -3.828   0.415   7.130
  210    HB2  LYS  27           1HB      LYS  27  -1.643  -1.589   6.407
  211    HB3  LYS  27           2HB      LYS  27  -1.779  -0.893   8.007
  212    HG2  LYS  27           1HG      LYS  27  -3.936  -2.560   6.643
  213    HG3  LYS  27           2HG      LYS  27  -2.776  -3.162   7.812
  214    HD2  LYS  27           1HD      LYS  27  -4.998  -1.148   8.289
  215    HD3  LYS  27           2HD      LYS  27  -4.951  -2.803   8.851
  216    HE2  LYS  27           1HE      LYS  27  -3.037  -0.598   9.752
  217    HE3  LYS  27           2HE      LYS  27  -4.473  -1.121  10.630
  218    HZ1  LYS  27           3HZ      LYS  27  -3.485  -3.336  10.835
  219    HZ2  LYS  27           1HZ      LYS  27  -2.505  -2.215  11.497
  220    HZ3  LYS  27           2HZ      LYS  27  -2.134  -2.860  10.046
  221    H    HIS  28           H        HIS  28  -1.146   0.679   4.793
  222    HA   HIS  28           HA       HIS  28   0.239   2.776   6.222
  223    HB2  HIS  28           1HB      HIS  28   1.495   1.653   4.611
  224    HB3  HIS  28           2HB      HIS  28   0.262   1.765   3.374
  225    HD1  HIS  28           1HD      HIS  28   2.738   4.141   5.162
  226    HD2  HIS  28           2HD      HIS  28   0.360   3.781   1.717
  227    HE1  HIS  28           1HE      HIS  28   3.309   6.143   3.719
  228    H    ILE  29           H        ILE  29  -2.134   2.983   3.483
  229    HA   ILE  29           HA       ILE  29  -2.220   5.789   3.356
  230    HB   ILE  29           HB       ILE  29  -4.350   3.729   2.700
  231   HG12  ILE  29          1HG1      ILE  29  -2.618   5.405   0.822
  232   HG13  ILE  29          2HG1      ILE  29  -2.122   3.821   1.392
  233   HG21  ILE  29          1HG2      ILE  29  -5.487   5.527   1.371
  234   HG22  ILE  29          2HG2      ILE  29  -5.528   5.863   3.084
  235   HG23  ILE  29          3HG2      ILE  29  -4.362   6.719   2.050
  236   HD11  ILE  29          3HD1      ILE  29  -4.180   2.811   0.401
  237   HD12  ILE  29          1HD1      ILE  29  -4.586   4.398  -0.298
  238   HD13  ILE  29          2HD1      ILE  29  -3.108   3.573  -0.792
  239    H    ARG  30           H        ARG  30  -4.362   3.688   5.349
  240    HA   ARG  30           HA       ARG  30  -5.803   5.935   6.436
  241    HB2  ARG  30           1HB      ARG  30  -6.991   4.387   7.723
  242    HB3  ARG  30           2HB      ARG  30  -6.629   3.566   6.196
  243    HG2  ARG  30           1HG      ARG  30  -4.678   2.455   7.384
  244    HG3  ARG  30           2HG      ARG  30  -5.289   3.121   8.895
  245    HD2  ARG  30           1HD      ARG  30  -6.780   1.220   7.039
  246    HD3  ARG  30           2HD      ARG  30  -6.020   0.807   8.570
  247    HE   ARG  30           HE       ARG  30  -7.647   2.070   9.786
  248   HH11  ARG  30          2HH1      ARG  30  -8.557   1.749   6.410
  249   HH12  ARG  30          1HH1      ARG  30 -10.226   2.118   6.743
  250   HH21  ARG  30          2HH2      ARG  30  -9.781   2.527  10.123
  251   HH22  ARG  30          1HH2      ARG  30 -10.892   2.543   8.787
  252    H    ASP  31           H        ASP  31  -2.693   4.927   7.230
  253    HA   ASP  31           HA       ASP  31  -2.821   6.172   9.940
  254    HB2  ASP  31           1HB      ASP  31  -1.846   3.905   9.733
  255    HB3  ASP  31           2HB      ASP  31  -0.635   4.526   8.614
  256    H    ALA  32           H        ALA  32  -1.042   6.346   6.841
  257    HA   ALA  32           HA       ALA  32   0.529   8.647   7.737
  258    HB1  ALA  32           1HB      ALA  32   1.520   6.697   6.583
  259    HB2  ALA  32           2HB      ALA  32   0.545   7.059   5.139
  260    HB3  ALA  32           3HB      ALA  32   1.786   8.206   5.685
  261    H    HIS  33           H        HIS  33  -2.280   8.211   5.647
  262    HA   HIS  33           HA       HIS  33  -2.010  11.041   4.667
  263    HB2  HIS  33           1HB      HIS  33  -3.017   8.654   3.085
  264    HB3  HIS  33           2HB      HIS  33  -2.796  10.301   2.503
  265    HD1  HIS  33           1HD      HIS  33   0.113  11.000   3.166
  266    HD2  HIS  33           2HD      HIS  33  -1.176   7.147   2.104
  267    HE1  HIS  33           1HE      HIS  33   2.173   9.798   2.296
  268    H    ASP  34           H        ASP  34  -4.323   8.394   5.196
  269    HA   ASP  34           HA       ASP  34  -6.595   8.343   5.375
  270    HB2  ASP  34           1HB      ASP  34  -5.536   8.445   7.595
  271    HB3  ASP  34           2HB      ASP  34  -5.815  10.183   7.628
  272    HA   PRO  35           HA       PRO  35  -7.796  12.243   3.127
  273    HB2  PRO  35           1HB      PRO  35  -9.421  10.146   1.690
  274    HB3  PRO  35           2HB      PRO  35  -8.576  11.576   1.020
  275    HG2  PRO  35           1HG      PRO  35  -7.496   9.099   0.768
  276    HG3  PRO  35           2HG      PRO  35  -6.452  10.494   1.202
  277    HD2  PRO  35           1HD      PRO  35  -7.659   8.417   3.066
  278    HD3  PRO  35           2HD      PRO  35  -5.980   9.031   2.982
  279    H    GLN  36           H        GLN  36  -9.537  13.458   3.677
  280    HA   GLN  36           HA       GLN  36 -11.538  12.309   5.516
  281    HB2  GLN  36           1HB      GLN  36 -10.906  15.195   4.813
  282    HB3  GLN  36           2HB      GLN  36 -12.011  14.661   6.080
  283    HG2  GLN  36           1HG      GLN  36  -9.003  14.150   6.028
  284    HG3  GLN  36           2HG      GLN  36  -9.841  15.346   7.002
  285   HE21  GLN  36          1HE2      GLN  36  -8.721  12.077   6.957
  286   HE22  GLN  36          2HE2      GLN  36  -9.538  11.577   8.424
  287    H    ASP  37           H        ASP  37 -11.633  12.060   2.445
  288    HA   ASP  37           HA       ASP  37 -14.023  13.511   1.599
  289    HB2  ASP  37           1HB      ASP  37 -12.171  13.049   0.063
  290    HB3  ASP  37           2HB      ASP  37 -12.412  11.316   0.255
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1   7.388 -17.388 -20.484
    2    H2   GLY   1           2H       GLY   1   6.368 -16.559 -19.505
    3    H3   GLY   1           3H       GLY   1   6.295 -18.193 -19.567
    4    HA2  GLY   1           1HA      GLY   1   8.481 -18.400 -18.591
    5    HA3  GLY   1           2HA      GLY   1   8.580 -16.630 -18.545
    6    H    SER   2           H        SER   2   8.652 -18.669 -16.340
    7    HA   SER   2           HA       SER   2   6.192 -18.728 -14.907
    8    HB2  SER   2           1HB      SER   2   7.610 -19.511 -13.021
    9    HB3  SER   2           2HB      SER   2   7.905 -20.373 -14.539
   10    HG   SER   2           HG       SER   2   9.862 -19.763 -13.485
   11    H    SER   3           H        SER   3   8.552 -16.159 -15.075
   12    HA   SER   3           HA       SER   3   7.931 -14.722 -12.684
   13    HB2  SER   3           1HB      SER   3   8.744 -12.753 -13.998
   14    HB3  SER   3           2HB      SER   3   9.846 -14.140 -14.008
   15    HG   SER   3           HG       SER   3   9.557 -13.229 -16.109
   16    H    GLY   4           H        GLY   4   6.116 -15.092 -15.694
   17    HA2  GLY   4           1HA      GLY   4   4.272 -12.912 -15.379
   18    HA3  GLY   4           2HA      GLY   4   4.039 -14.374 -16.344
   19    H    SER   5           H        SER   5   4.507 -15.924 -13.635
   20    HA   SER   5           HA       SER   5   1.693 -15.960 -12.778
   21    HB2  SER   5           1HB      SER   5   4.044 -17.640 -11.848
   22    HB3  SER   5           2HB      SER   5   2.333 -17.918 -11.482
   23    HG   SER   5           HG       SER   5   3.039 -19.208 -13.237
   24    H    SER   6           H        SER   6   4.282 -14.042 -11.842
   25    HA   SER   6           HA       SER   6   3.965 -14.055  -8.967
   26    HB2  SER   6           1HB      SER   6   5.983 -13.225 -10.248
   27    HB3  SER   6           2HB      SER   6   5.028 -11.805 -10.706
   28    HG   SER   6           HG       SER   6   5.871 -12.658  -8.124
   29    H    GLY   7           H        GLY   7   2.883 -12.579  -7.624
   30    HA2  GLY   7           1HA      GLY   7   0.276 -11.711  -8.484
   31    HA3  GLY   7           2HA      GLY   7   1.016 -11.399  -6.916
   32    H    ILE   8           H        ILE   8  -0.620  -9.583  -8.473
   33    HA   ILE   8           HA       ILE   8   1.047  -7.618  -9.799
   34    HB   ILE   8           HB       ILE   8  -1.822  -7.401  -8.813
   35   HG12  ILE   8          1HG1      ILE   8  -0.698  -8.048 -11.585
   36   HG13  ILE   8          2HG1      ILE   8  -1.456  -9.210 -10.499
   37   HG21  ILE   8          1HG2      ILE   8  -1.992  -5.468 -10.349
   38   HG22  ILE   8          2HG2      ILE   8  -0.758  -5.164  -9.146
   39   HG23  ILE   8          3HG2      ILE   8  -0.280  -5.644 -10.788
   40   HD11  ILE   8          3HD1      ILE   8  -3.587  -7.886 -10.608
   41   HD12  ILE   8          1HD1      ILE   8  -2.836  -6.888 -11.881
   42   HD13  ILE   8          2HD1      ILE   8  -3.072  -8.620 -12.140
   43    H    LYS   9           H        LYS   9   2.341  -6.191  -8.884
   44    HA   LYS   9           HA       LYS   9   2.395  -5.759  -6.001
   45    HB2  LYS   9           1HB      LYS   9   4.006  -4.277  -8.106
   46    HB3  LYS   9           2HB      LYS   9   4.363  -4.436  -6.390
   47    HG2  LYS   9           1HG      LYS   9   4.504  -6.599  -8.519
   48    HG3  LYS   9           2HG      LYS   9   5.846  -5.860  -7.652
   49    HD2  LYS   9           1HD      LYS   9   5.036  -6.866  -5.523
   50    HD3  LYS   9           2HD      LYS   9   3.714  -7.654  -6.391
   51    HE2  LYS   9           1HE      LYS   9   6.693  -8.149  -6.826
   52    HE3  LYS   9           2HE      LYS   9   5.566  -9.199  -5.963
   53    HZ1  LYS   9           3HZ      LYS   9   5.562  -8.620  -8.867
   54    HZ2  LYS   9           1HZ      LYS   9   4.286  -9.320  -8.121
   55    HZ3  LYS   9           2HZ      LYS   9   5.724 -10.081  -8.146
   56    H    GLN  10           H        GLN  10   2.187  -3.820  -4.880
   57    HA   GLN  10           HA       GLN  10   0.087  -2.014  -6.020
   58    HB2  GLN  10           1HB      GLN  10   0.534  -2.882  -3.139
   59    HB3  GLN  10           2HB      GLN  10  -0.797  -1.912  -3.758
   60    HG2  GLN  10           1HG      GLN  10  -0.264  -4.841  -4.414
   61    HG3  GLN  10           2HG      GLN  10  -1.490  -4.224  -3.329
   62   HE21  GLN  10          1HE2      GLN  10  -1.341  -5.615  -6.249
   63   HE22  GLN  10          2HE2      GLN  10  -2.656  -4.744  -7.035
   64    H    HIS  11           H        HIS  11   0.098   0.242  -5.341
   65    HA   HIS  11           HA       HIS  11   2.470   1.151  -3.871
   66    HB2  HIS  11           1HB      HIS  11   3.232   2.732  -5.446
   67    HB3  HIS  11           2HB      HIS  11   3.124   1.192  -6.283
   68    HD1  HIS  11           1HD      HIS  11   1.371   4.633  -6.134
   69    HD2  HIS  11           2HD      HIS  11   1.408   1.047  -8.352
   70    HE1  HIS  11           1HE      HIS  11   0.016   5.081  -8.247
   71    H    CYS  12           H        CYS  12   2.395   3.167  -2.951
   72    HA   CYS  12           HA       CYS  12  -0.169   4.209  -2.142
   73    HB2  CYS  12           1HB      CYS  12   1.818   4.214  -0.732
   74    HB3  CYS  12           2HB      CYS  12   2.650   5.296  -1.864
   75    H    ARG  13           H        ARG  13  -1.235   5.947  -2.721
   76    HA   ARG  13           HA       ARG  13  -0.861   7.126  -5.412
   77    HB2  ARG  13           1HB      ARG  13  -3.068   6.382  -4.641
   78    HB3  ARG  13           2HB      ARG  13  -2.978   7.446  -3.235
   79    HG2  ARG  13           1HG      ARG  13  -3.061   9.432  -4.677
   80    HG3  ARG  13           2HG      ARG  13  -3.023   8.404  -6.128
   81    HD2  ARG  13           1HD      ARG  13  -5.174   7.388  -5.463
   82    HD3  ARG  13           2HD      ARG  13  -5.183   8.361  -3.977
   83    HE   ARG  13           HE       ARG  13  -4.943  10.076  -6.267
   84   HH11  ARG  13          2HH1      ARG  13  -7.387   8.155  -4.648
   85   HH12  ARG  13          1HH1      ARG  13  -8.688   9.169  -5.210
   86   HH21  ARG  13          1HH2      ARG  13  -6.654  11.316  -6.965
   87   HH22  ARG  13          2HH2      ARG  13  -8.276  10.900  -6.501
   88    H    PHE  14           H        PHE  14  -0.213   7.985  -2.102
   89    HA   PHE  14           HA       PHE  14  -0.051  10.884  -2.760
   90    HB2  PHE  14           1HB      PHE  14  -0.174   9.501  -0.084
   91    HB3  PHE  14           2HB      PHE  14  -0.383  11.216  -0.393
   92    HD1  PHE  14           2HD      PHE  14  -2.402  11.909  -1.916
   93    HD2  PHE  14           1HD      PHE  14  -2.025   8.015  -0.103
   94    HE1  PHE  14           2HE      PHE  14  -4.829  11.504  -2.271
   95    HE2  PHE  14           1HE      PHE  14  -4.449   7.616  -0.451
   96    HZ   PHE  14           HZ       PHE  14  -5.852   9.356  -1.546
   97    H    CYS  15           H        CYS  15   2.003   8.276  -1.507
   98    HA   CYS  15           HA       CYS  15   4.326  10.119  -1.751
   99    HB2  CYS  15           1HB      CYS  15   5.369   9.314   0.186
  100    HB3  CYS  15           2HB      CYS  15   3.777   9.940   0.593
  101    H    LYS  16           H        LYS  16   3.037   7.556  -3.144
  102    HA   LYS  16           HA       LYS  16   3.710   5.985  -4.634
  103    HB2  LYS  16           1HB      LYS  16   5.844   8.097  -4.925
  104    HB3  LYS  16           2HB      LYS  16   5.858   6.661  -5.926
  105    HG2  LYS  16           1HG      LYS  16   4.799   8.376  -7.140
  106    HG3  LYS  16           2HG      LYS  16   3.610   7.129  -6.773
  107    HD2  LYS  16           1HD      LYS  16   2.549   8.546  -5.099
  108    HD3  LYS  16           2HD      LYS  16   3.860   9.747  -5.224
  109    HE2  LYS  16           1HE      LYS  16   3.269  10.117  -7.611
  110    HE3  LYS  16           2HE      LYS  16   1.965   8.932  -7.477
  111    HZ1  LYS  16           3HZ      LYS  16   2.108  11.463  -5.922
  112    HZ2  LYS  16           1HZ      LYS  16   0.880  10.370  -5.856
  113    HZ3  LYS  16           2HZ      LYS  16   1.156  11.215  -7.225
  114    H    LYS  17           H        LYS  17   4.807   5.577  -1.806
  115    HA   LYS  17           HA       LYS  17   6.992   3.718  -2.012
  116    HB2  LYS  17           1HB      LYS  17   4.666   3.994  -0.060
  117    HB3  LYS  17           2HB      LYS  17   5.970   2.814   0.148
  118    HG2  LYS  17           1HG      LYS  17   7.631   4.626   0.217
  119    HG3  LYS  17           2HG      LYS  17   6.343   5.813  -0.080
  120    HD2  LYS  17           1HD      LYS  17   5.237   5.079   2.058
  121    HD3  LYS  17           2HD      LYS  17   6.597   3.993   2.350
  122    HE2  LYS  17           1HE      LYS  17   6.804   6.075   3.640
  123    HE3  LYS  17           2HE      LYS  17   8.147   5.885   2.509
  124    HZ1  LYS  17           3HZ      LYS  17   7.183   7.512   1.080
  125    HZ2  LYS  17           1HZ      LYS  17   7.088   8.164   2.576
  126    HZ3  LYS  17           2HZ      LYS  17   5.753   7.523   1.850
  127    H    LYS  18           H        LYS  18   6.951   1.470  -2.009
  128    HA   LYS  18           HA       LYS  18   4.672   0.258  -3.547
  129    HB2  LYS  18           1HB      LYS  18   7.641  -0.342  -3.740
  130    HB3  LYS  18           2HB      LYS  18   6.360  -1.257  -4.551
  131    HG2  LYS  18           1HG      LYS  18   5.623   0.805  -5.733
  132    HG3  LYS  18           2HG      LYS  18   6.943   1.710  -4.969
  133    HD2  LYS  18           1HD      LYS  18   8.601   0.207  -6.040
  134    HD3  LYS  18           2HD      LYS  18   7.278  -0.687  -6.824
  135    HE2  LYS  18           1HE      LYS  18   6.553   1.394  -7.970
  136    HE3  LYS  18           2HE      LYS  18   7.856   2.291  -7.181
  137    HZ1  LYS  18           3HZ      LYS  18   9.455   0.864  -8.350
  138    HZ2  LYS  18           1HZ      LYS  18   8.484   1.611  -9.427
  139    HZ3  LYS  18           2HZ      LYS  18   8.250   0.035  -9.080
  140    H    TYR  19           H        TYR  19   3.868  -1.663  -3.095
  141    HA   TYR  19           HA       TYR  19   4.697  -3.081  -0.604
  142    HB2  TYR  19           1HB      TYR  19   1.905  -2.091  -1.310
  143    HB3  TYR  19           2HB      TYR  19   2.308  -3.108   0.066
  144    HD1  TYR  19           1HD      TYR  19   2.552   0.308  -1.352
  145    HD2  TYR  19           2HD      TYR  19   3.468  -2.209   2.031
  146    HE1  TYR  19           1HE      TYR  19   3.191   2.321  -0.020
  147    HE2  TYR  19           2HE      TYR  19   4.080  -0.195   3.361
  148    HH   TYR  19           HH       TYR  19   4.354   2.072   3.353
  149    H    SER  20           H        SER  20   4.300  -5.265  -0.543
  150    HA   SER  20           HA       SER  20   3.615  -6.630  -3.053
  151    HB2  SER  20           1HB      SER  20   4.360  -7.761  -0.335
  152    HB3  SER  20           2HB      SER  20   4.261  -8.661  -1.860
  153    HG   SER  20           HG       SER  20   6.415  -8.011  -1.353
  154    H    ASP  21           H        ASP  21   1.700  -5.407  -0.618
  155    HA   ASP  21           HA       ASP  21  -0.557  -7.255  -1.146
  156    HB2  ASP  21           1HB      ASP  21   0.413  -8.270   0.789
  157    HB3  ASP  21           2HB      ASP  21   0.751  -6.712   1.532
  158    H    VAL  22           H        VAL  22  -2.490  -6.269  -1.178
  159    HA   VAL  22           HA       VAL  22  -2.601  -3.381  -1.204
  160    HB   VAL  22           HB       VAL  22  -3.866  -4.981  -2.680
  161   HG11  VAL  22          1HG1      VAL  22  -5.868  -5.119  -0.395
  162   HG12  VAL  22          2HG1      VAL  22  -6.036  -5.793  -2.024
  163   HG13  VAL  22          3HG1      VAL  22  -4.823  -6.462  -0.922
  164   HG21  VAL  22          3HG2      VAL  22  -4.288  -2.570  -2.653
  165   HG22  VAL  22          1HG2      VAL  22  -5.782  -3.478  -2.924
  166   HG23  VAL  22          2HG2      VAL  22  -5.455  -2.768  -1.328
  167    H    LYS  23           H        LYS  23  -3.449  -5.814   1.218
  168    HA   LYS  23           HA       LYS  23  -5.001  -3.986   2.886
  169    HB2  LYS  23           1HB      LYS  23  -3.650  -6.596   3.641
  170    HB3  LYS  23           2HB      LYS  23  -4.798  -5.698   4.630
  171    HG2  LYS  23           1HG      LYS  23  -6.546  -5.964   2.915
  172    HG3  LYS  23           2HG      LYS  23  -5.431  -6.852   1.869
  173    HD2  LYS  23           1HD      LYS  23  -6.279  -7.747   4.654
  174    HD3  LYS  23           2HD      LYS  23  -6.994  -8.314   3.135
  175    HE2  LYS  23           1HE      LYS  23  -4.759  -9.155   2.404
  176    HE3  LYS  23           2HE      LYS  23  -4.068  -8.648   3.947
  177    HZ1  LYS  23           3HZ      LYS  23  -5.588 -10.196   5.064
  178    HZ2  LYS  23           1HZ      LYS  23  -4.665 -10.997   3.984
  179    HZ3  LYS  23           2HZ      LYS  23  -6.224 -10.670   3.635
  180    H    ASN  24           H        ASN  24  -1.568  -5.058   3.008
  181    HA   ASN  24           HA       ASN  24  -0.772  -3.282   5.111
  182    HB2  ASN  24           1HB      ASN  24   0.662  -4.687   2.845
  183    HB3  ASN  24           2HB      ASN  24   1.504  -3.447   3.765
  184   HD21  ASN  24          1HD2      ASN  24  -0.257  -6.554   4.184
  185   HD22  ASN  24          2HD2      ASN  24   0.601  -6.956   5.677
  186    H    LEU  25           H        LEU  25  -1.001  -2.655   1.566
  187    HA   LEU  25           HA       LEU  25  -0.115   0.057   1.681
  188    HB2  LEU  25           1HB      LEU  25  -0.251  -1.055  -0.424
  189    HB3  LEU  25           2HB      LEU  25  -1.944  -1.467  -0.189
  190    HG   LEU  25           HG       LEU  25  -2.611   0.888  -0.390
  191   HD11  LEU  25          1HD1      LEU  25   0.333   1.414  -1.035
  192   HD12  LEU  25          2HD1      LEU  25  -0.506   1.988   0.418
  193   HD13  LEU  25          3HD1      LEU  25  -1.008   2.568  -1.165
  194   HD21  LEU  25          3HD2      LEU  25  -0.821   0.041  -2.683
  195   HD22  LEU  25          1HD2      LEU  25  -2.212   1.139  -2.756
  196   HD23  LEU  25          2HD2      LEU  25  -2.470  -0.576  -2.394
  197    H    ILE  26           H        ILE  26  -3.485  -1.253   2.020
  198    HA   ILE  26           HA       ILE  26  -4.667   1.327   2.400
  199    HB   ILE  26           HB       ILE  26  -5.585  -1.476   3.058
  200   HG12  ILE  26          1HG1      ILE  26  -6.629   0.555   1.022
  201   HG13  ILE  26          2HG1      ILE  26  -5.309  -0.537   0.638
  202   HG21  ILE  26          1HG2      ILE  26  -7.864  -0.487   3.430
  203   HG22  ILE  26          2HG2      ILE  26  -6.723  -0.022   4.682
  204   HG23  ILE  26          3HG2      ILE  26  -7.140   1.135   3.395
  205   HD11  ILE  26          3HD1      ILE  26  -8.131  -1.387   1.375
  206   HD12  ILE  26          1HD1      ILE  26  -7.345  -1.469  -0.212
  207   HD13  ILE  26          2HD1      ILE  26  -6.758  -2.494   1.112
  208    H    LYS  27           H        LYS  27  -3.341  -0.991   4.782
  209    HA   LYS  27           HA       LYS  27  -3.913   0.559   7.140
  210    HB2  LYS  27           1HB      LYS  27  -1.757  -1.481   6.448
  211    HB3  LYS  27           2HB      LYS  27  -1.863  -0.760   8.040
  212    HG2  LYS  27           1HG      LYS  27  -4.196  -2.245   6.758
  213    HG3  LYS  27           2HG      LYS  27  -2.955  -3.059   7.702
  214    HD2  LYS  27           1HD      LYS  27  -4.744  -0.835   8.773
  215    HD3  LYS  27           2HD      LYS  27  -5.034  -2.566   8.972
  216    HE2  LYS  27           1HE      LYS  27  -2.830  -2.788  10.134
  217    HE3  LYS  27           2HE      LYS  27  -2.604  -1.039  10.013
  218    HZ1  LYS  27           3HZ      LYS  27  -4.618  -0.753  11.361
  219    HZ2  LYS  27           1HZ      LYS  27  -3.533  -1.668  12.164
  220    HZ3  LYS  27           2HZ      LYS  27  -4.828  -2.371  11.468
  221    H    HIS  28           H        HIS  28  -1.152   0.734   4.859
  222    HA   HIS  28           HA       HIS  28   0.212   2.853   6.260
  223    HB2  HIS  28           1HB      HIS  28   1.468   1.685   4.643
  224    HB3  HIS  28           2HB      HIS  28   0.247   1.868   3.397
  225    HD1  HIS  28           1HD      HIS  28   2.665   4.194   5.350
  226    HD2  HIS  28           2HD      HIS  28   0.479   3.883   1.772
  227    HE1  HIS  28           1HE      HIS  28   3.296   6.228   3.980
  228    H    ILE  29           H        ILE  29  -2.151   3.006   3.518
  229    HA   ILE  29           HA       ILE  29  -2.233   5.807   3.318
  230    HB   ILE  29           HB       ILE  29  -4.348   3.727   2.692
  231   HG12  ILE  29          1HG1      ILE  29  -2.595   5.402   0.828
  232   HG13  ILE  29          2HG1      ILE  29  -2.133   3.805   1.392
  233   HG21  ILE  29          1HG2      ILE  29  -5.549   5.848   3.058
  234   HG22  ILE  29          2HG2      ILE  29  -4.392   6.709   2.015
  235   HG23  ILE  29          3HG2      ILE  29  -5.505   5.498   1.349
  236   HD11  ILE  29          3HD1      ILE  29  -4.209   2.847   0.369
  237   HD12  ILE  29          1HD1      ILE  29  -4.554   4.448  -0.336
  238   HD13  ILE  29          2HD1      ILE  29  -3.093   3.580  -0.802
  239    H    ARG  30           H        ARG  30  -4.429   3.771   5.323
  240    HA   ARG  30           HA       ARG  30  -5.826   6.071   6.368
  241    HB2  ARG  30           1HB      ARG  30  -7.064   4.548   7.659
  242    HB3  ARG  30           2HB      ARG  30  -6.698   3.719   6.137
  243    HG2  ARG  30           1HG      ARG  30  -4.767   2.591   7.359
  244    HG3  ARG  30           2HG      ARG  30  -5.427   3.240   8.858
  245    HD2  ARG  30           1HD      ARG  30  -6.872   1.388   6.914
  246    HD3  ARG  30           2HD      ARG  30  -6.157   0.921   8.448
  247    HE   ARG  30           HE       ARG  30  -7.806   2.175   9.658
  248   HH11  ARG  30          2HH1      ARG  30  -8.629   1.929   6.252
  249   HH12  ARG  30          1HH1      ARG  30 -10.303   2.304   6.550
  250   HH21  ARG  30          2HH2      ARG  30  -9.945   2.643   9.947
  251   HH22  ARG  30          1HH2      ARG  30 -11.019   2.695   8.582
  252    H    ASP  31           H        ASP  31  -2.767   4.913   7.264
  253    HA   ASP  31           HA       ASP  31  -2.886   6.216   9.936
  254    HB2  ASP  31           1HB      ASP  31  -1.869   3.973   9.716
  255    HB3  ASP  31           2HB      ASP  31  -0.679   4.618   8.588
  256    H    ALA  32           H        ALA  32  -1.121   6.442   6.830
  257    HA   ALA  32           HA       ALA  32   0.394   8.777   7.749
  258    HB1  ALA  32           1HB      ALA  32   1.460   6.862   6.619
  259    HB2  ALA  32           2HB      ALA  32   0.492   7.182   5.160
  260    HB3  ALA  32           3HB      ALA  32   1.690   8.371   5.712
  261    H    HIS  33           H        HIS  33  -2.354   8.273   5.590
  262    HA   HIS  33           HA       HIS  33  -2.139  11.113   4.626
  263    HB2  HIS  33           1HB      HIS  33  -2.997   8.707   2.990
  264    HB3  HIS  33           2HB      HIS  33  -2.782  10.358   2.425
  265    HD1  HIS  33           1HD      HIS  33   0.044  11.177   3.000
  266    HD2  HIS  33           2HD      HIS  33  -1.049   7.184   2.300
  267    HE1  HIS  33           1HE      HIS  33   2.170   9.996   2.252
  268    H    ASP  34           H        ASP  34  -4.368   8.392   5.150
  269    HA   ASP  34           HA       ASP  34  -6.622   8.227   5.306
  270    HB2  ASP  34           1HB      ASP  34  -5.754   8.676   7.534
  271    HB3  ASP  34           2HB      ASP  34  -6.049  10.395   7.328
  272    HA   PRO  35           HA       PRO  35  -7.685  11.862   2.569
  273    HB2  PRO  35           1HB      PRO  35  -8.480  10.529   0.326
  274    HB3  PRO  35           2HB      PRO  35  -6.758  10.824   0.717
  275    HG2  PRO  35           1HG      PRO  35  -8.388   8.324   1.310
  276    HG3  PRO  35           2HG      PRO  35  -6.802   8.425   0.487
  277    HD2  PRO  35           1HD      PRO  35  -6.974   7.883   3.128
  278    HD3  PRO  35           2HD      PRO  35  -5.682   8.957   2.503
  279    H    GLN  36           H        GLN  36  -9.691  12.693   1.972
  280    HA   GLN  36           HA       GLN  36 -11.950  11.688   3.463
  281    HB2  GLN  36           1HB      GLN  36 -12.990  13.729   2.978
  282    HB3  GLN  36           2HB      GLN  36 -11.308  14.097   3.290
  283    HG2  GLN  36           1HG      GLN  36 -12.581  13.914   0.509
  284    HG3  GLN  36           2HG      GLN  36 -12.387  15.392   1.424
  285   HE21  GLN  36          1HE2      GLN  36 -11.345  15.346  -1.102
  286   HE22  GLN  36          2HE2      GLN  36  -9.590  15.296  -0.996
  287    H    ASP  37           H        ASP  37 -10.925  10.812   0.410
  288    HA   ASP  37           HA       ASP  37 -13.570   9.768  -0.413
  289    HB2  ASP  37           1HB      ASP  37 -13.412  11.979  -1.481
  290    HB3  ASP  37           2HB      ASP  37 -11.844  11.563  -2.162
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  13.581 -12.324   3.030
    2    H2   GLY   1           2H       GLY   1  14.343 -13.772   3.026
    3    H3   GLY   1           3H       GLY   1  13.223 -13.440   4.175
    4    HA2  GLY   1           1HA      GLY   1  12.284 -14.929   2.545
    5    HA3  GLY   1           2HA      GLY   1  11.468 -13.355   2.532
    6    H    SER   2           H        SER   2  10.820 -14.044   0.346
    7    HA   SER   2           HA       SER   2  12.693 -13.079  -1.727
    8    HB2  SER   2           1HB      SER   2  12.333 -15.043  -3.149
    9    HB3  SER   2           2HB      SER   2  13.133 -15.488  -1.636
   10    HG   SER   2           HG       SER   2  11.434 -16.936  -2.163
   11    H    SER   3           H        SER   3  11.618 -12.841  -3.853
   12    HA   SER   3           HA       SER   3   9.063 -11.495  -3.575
   13    HB2  SER   3           1HB      SER   3  10.781 -11.974  -6.034
   14    HB3  SER   3           2HB      SER   3   9.407 -10.855  -5.910
   15    HG   SER   3           HG       SER   3  11.427  -9.799  -5.587
   16    H    GLY   4           H        GLY   4   8.102 -13.665  -2.850
   17    HA2  GLY   4           1HA      GLY   4   7.367 -15.693  -4.732
   18    HA3  GLY   4           2HA      GLY   4   6.584 -15.377  -3.186
   19    H    SER   5           H        SER   5   5.095 -16.277  -5.287
   20    HA   SER   5           HA       SER   5   3.972 -14.234  -6.962
   21    HB2  SER   5           1HB      SER   5   2.346 -16.012  -7.571
   22    HB3  SER   5           2HB      SER   5   4.038 -16.527  -7.677
   23    HG   SER   5           HG       SER   5   2.712 -18.088  -6.618
   24    H    SER   6           H        SER   6   3.065 -15.339  -3.753
   25    HA   SER   6           HA       SER   6   0.332 -14.504  -3.799
   26    HB2  SER   6           1HB      SER   6   1.376 -16.152  -2.222
   27    HB3  SER   6           2HB      SER   6   2.107 -14.786  -1.355
   28    HG   SER   6           HG       SER   6   0.067 -15.468  -0.474
   29    H    GLY   7           H        GLY   7  -0.701 -12.811  -2.640
   30    HA2  GLY   7           1HA      GLY   7  -1.047 -10.658  -1.895
   31    HA3  GLY   7           2HA      GLY   7   0.687 -10.369  -1.830
   32    H    ILE   8           H        ILE   8  -1.584  -8.747  -2.847
   33    HA   ILE   8           HA       ILE   8  -1.133  -8.521  -5.768
   34    HB   ILE   8           HB       ILE   8  -2.998  -6.939  -3.960
   35   HG12  ILE   8          1HG1      ILE   8  -3.587  -9.358  -5.733
   36   HG13  ILE   8          2HG1      ILE   8  -3.565  -9.362  -3.969
   37   HG21  ILE   8          1HG2      ILE   8  -2.957  -7.240  -7.004
   38   HG22  ILE   8          2HG2      ILE   8  -4.073  -6.237  -6.054
   39   HG23  ILE   8          3HG2      ILE   8  -2.372  -5.812  -6.129
   40   HD11  ILE   8          3HD1      ILE   8  -5.568  -7.908  -5.725
   41   HD12  ILE   8          1HD1      ILE   8  -5.843  -9.283  -4.649
   42   HD13  ILE   8          2HD1      ILE   8  -5.439  -7.700  -3.958
   43    H    LYS   9           H        LYS   9   0.786  -7.570  -6.248
   44    HA   LYS   9           HA       LYS   9   2.124  -5.645  -4.589
   45    HB2  LYS   9           1HB      LYS   9   2.554  -6.496  -7.478
   46    HB3  LYS   9           2HB      LYS   9   3.530  -5.261  -6.697
   47    HG2  LYS   9           1HG      LYS   9   4.704  -7.345  -6.634
   48    HG3  LYS   9           2HG      LYS   9   4.299  -6.846  -4.991
   49    HD2  LYS   9           1HD      LYS   9   2.559  -8.513  -4.826
   50    HD3  LYS   9           2HD      LYS   9   2.663  -8.875  -6.568
   51    HE2  LYS   9           1HE      LYS   9   4.988  -9.692  -6.227
   52    HE3  LYS   9           2HE      LYS   9   4.839  -9.378  -4.491
   53    HZ1  LYS   9           3HZ      LYS   9   3.059 -11.015  -4.385
   54    HZ2  LYS   9           1HZ      LYS   9   4.357 -11.708  -5.087
   55    HZ3  LYS   9           2HZ      LYS   9   3.078 -11.237  -6.003
   56    H    GLN  10           H        GLN  10   1.950  -3.557  -4.377
   57    HA   GLN  10           HA       GLN  10   0.440  -1.873  -6.323
   58    HB2  GLN  10           1HB      GLN  10  -0.222  -2.462  -3.407
   59    HB3  GLN  10           2HB      GLN  10  -0.751  -0.983  -4.186
   60    HG2  GLN  10           1HG      GLN  10  -1.475  -3.762  -5.177
   61    HG3  GLN  10           2HG      GLN  10  -2.483  -2.754  -4.154
   62   HE21  GLN  10          1HE2      GLN  10  -3.702  -3.540  -6.408
   63   HE22  GLN  10          2HE2      GLN  10  -3.754  -2.223  -7.570
   64    H    HIS  11           H        HIS  11   0.492   0.452  -5.784
   65    HA   HIS  11           HA       HIS  11   2.664   1.262  -3.963
   66    HB2  HIS  11           1HB      HIS  11   3.644   2.834  -5.414
   67    HB3  HIS  11           2HB      HIS  11   3.597   1.306  -6.280
   68    HD1  HIS  11           1HD      HIS  11   1.730   4.727  -6.238
   69    HD2  HIS  11           2HD      HIS  11   2.342   1.296  -8.615
   70    HE1  HIS  11           1HE      HIS  11   0.745   5.254  -8.524
   71    H    CYS  12           H        CYS  12   2.475   3.269  -3.011
   72    HA   CYS  12           HA       CYS  12  -0.139   4.199  -2.403
   73    HB2  CYS  12           1HB      CYS  12   1.764   4.262  -0.891
   74    HB3  CYS  12           2HB      CYS  12   2.610   5.401  -1.945
   75    H    ARG  13           H        ARG  13  -1.215   5.987  -2.866
   76    HA   ARG  13           HA       ARG  13  -0.915   7.189  -5.555
   77    HB2  ARG  13           1HB      ARG  13  -3.080   6.346  -4.754
   78    HB3  ARG  13           2HB      ARG  13  -3.023   7.426  -3.357
   79    HG2  ARG  13           1HG      ARG  13  -3.227   9.391  -4.796
   80    HG3  ARG  13           2HG      ARG  13  -3.104   8.377  -6.248
   81    HD2  ARG  13           1HD      ARG  13  -5.222   7.224  -5.585
   82    HD3  ARG  13           2HD      ARG  13  -5.299   8.222  -4.135
   83    HE   ARG  13           HE       ARG  13  -6.002  10.057  -5.376
   84   HH11  ARG  13          2HH1      ARG  13  -5.117   7.547  -7.662
   85   HH12  ARG  13          1HH1      ARG  13  -5.840   8.395  -9.003
   86   HH21  ARG  13          2HH2      ARG  13  -6.898  11.074  -7.127
   87   HH22  ARG  13          1HH2      ARG  13  -6.818  10.337  -8.700
   88    H    PHE  14           H        PHE  14  -0.196   8.021  -2.278
   89    HA   PHE  14           HA       PHE  14  -0.114  10.943  -2.886
   90    HB2  PHE  14           1HB      PHE  14  -0.249   9.504  -0.237
   91    HB3  PHE  14           2HB      PHE  14  -0.455  11.225  -0.507
   92    HD1  PHE  14           2HD      PHE  14  -2.460  11.932  -2.075
   93    HD2  PHE  14           1HD      PHE  14  -2.110   8.044  -0.236
   94    HE1  PHE  14           2HE      PHE  14  -4.888  11.539  -2.430
   95    HE2  PHE  14           1HE      PHE  14  -4.536   7.662  -0.583
   96    HZ   PHE  14           HZ       PHE  14  -5.928   9.404  -1.690
   97    H    CYS  15           H        CYS  15   1.974   8.342  -1.710
   98    HA   CYS  15           HA       CYS  15   4.275  10.220  -1.884
   99    HB2  CYS  15           1HB      CYS  15   5.307   9.357   0.070
  100    HB3  CYS  15           2HB      CYS  15   3.711   9.989   0.462
  101    H    LYS  16           H        LYS  16   3.019   7.589  -3.269
  102    HA   LYS  16           HA       LYS  16   3.709   5.946  -4.651
  103    HB2  LYS  16           1HB      LYS  16   6.121   7.737  -5.033
  104    HB3  LYS  16           2HB      LYS  16   5.599   6.444  -6.118
  105    HG2  LYS  16           1HG      LYS  16   3.428   7.606  -6.474
  106    HG3  LYS  16           2HG      LYS  16   3.987   8.946  -5.452
  107    HD2  LYS  16           1HD      LYS  16   5.886   9.339  -7.000
  108    HD3  LYS  16           2HD      LYS  16   5.314   8.011  -8.036
  109    HE2  LYS  16           1HE      LYS  16   3.160   9.204  -8.371
  110    HE3  LYS  16           2HE      LYS  16   3.723  10.523  -7.337
  111    HZ1  LYS  16           3HZ      LYS  16   4.053  11.040  -9.686
  112    HZ2  LYS  16           1HZ      LYS  16   4.985   9.719  -9.907
  113    HZ3  LYS  16           2HZ      LYS  16   5.505  10.939  -8.950
  114    H    LYS  17           H        LYS  17   4.821   5.736  -1.755
  115    HA   LYS  17           HA       LYS  17   6.960   3.829  -1.845
  116    HB2  LYS  17           1HB      LYS  17   4.654   4.316   0.087
  117    HB3  LYS  17           2HB      LYS  17   5.842   3.031   0.339
  118    HG2  LYS  17           1HG      LYS  17   7.671   4.711   0.266
  119    HG3  LYS  17           2HG      LYS  17   6.461   5.992   0.063
  120    HD2  LYS  17           1HD      LYS  17   5.454   5.339   2.264
  121    HD3  LYS  17           2HD      LYS  17   6.732   4.118   2.454
  122    HE2  LYS  17           1HE      LYS  17   8.449   5.931   2.272
  123    HE3  LYS  17           2HE      LYS  17   7.153   7.128   2.140
  124    HZ1  LYS  17           3HZ      LYS  17   7.606   5.366   4.493
  125    HZ2  LYS  17           1HZ      LYS  17   6.421   6.488   4.373
  126    HZ3  LYS  17           2HZ      LYS  17   7.984   6.951   4.419
  127    H    LYS  18           H        LYS  18   6.978   1.638  -1.895
  128    HA   LYS  18           HA       LYS  18   4.709   0.353  -3.371
  129    HB2  LYS  18           1HB      LYS  18   7.657  -0.372  -3.288
  130    HB3  LYS  18           2HB      LYS  18   6.403  -1.281  -4.145
  131    HG2  LYS  18           1HG      LYS  18   5.870   0.722  -5.516
  132    HG3  LYS  18           2HG      LYS  18   7.155   1.627  -4.694
  133    HD2  LYS  18           1HD      LYS  18   8.834  -0.006  -5.516
  134    HD3  LYS  18           2HD      LYS  18   7.547  -0.900  -6.357
  135    HE2  LYS  18           1HE      LYS  18   7.016   1.126  -7.693
  136    HE3  LYS  18           2HE      LYS  18   8.286   2.023  -6.850
  137    HZ1  LYS  18           3HZ      LYS  18   9.913   0.460  -7.777
  138    HZ2  LYS  18           1HZ      LYS  18   9.074   1.169  -8.982
  139    HZ3  LYS  18           2HZ      LYS  18   8.741  -0.370  -8.557
  140    H    TYR  19           H        TYR  19   3.749  -1.478  -2.789
  141    HA   TYR  19           HA       TYR  19   4.495  -2.789  -0.212
  142    HB2  TYR  19           1HB      TYR  19   1.773  -1.732  -1.054
  143    HB3  TYR  19           2HB      TYR  19   2.035  -2.807   0.314
  144    HD1  TYR  19           2HD      TYR  19   3.303  -2.080   2.307
  145    HD2  TYR  19           1HD      TYR  19   2.452   0.647  -0.930
  146    HE1  TYR  19           2HE      TYR  19   4.091  -0.185   3.701
  147    HE2  TYR  19           1HE      TYR  19   3.264   2.547   0.471
  148    HH   TYR  19           HH       TYR  19   4.583   2.047   3.763
  149    H    SER  20           H        SER  20   4.261  -4.945  -0.106
  150    HA   SER  20           HA       SER  20   3.989  -6.450  -2.524
  151    HB2  SER  20           1HB      SER  20   4.032  -7.454   0.344
  152    HB3  SER  20           2HB      SER  20   4.391  -8.393  -1.118
  153    HG   SER  20           HG       SER  20   6.301  -7.634  -0.077
  154    H    ASP  21           H        ASP  21   1.550  -5.418  -0.318
  155    HA   ASP  21           HA       ASP  21  -0.433  -6.910  -1.858
  156    HB2  ASP  21           1HB      ASP  21   0.029  -8.373   0.114
  157    HB3  ASP  21           2HB      ASP  21  -0.518  -7.058   1.164
  158    H    VAL  22           H        VAL  22  -2.493  -5.960  -1.894
  159    HA   VAL  22           HA       VAL  22  -2.641  -3.142  -1.616
  160    HB   VAL  22           HB       VAL  22  -3.962  -4.579  -3.151
  161   HG11  VAL  22          1HG1      VAL  22  -6.062  -5.563  -2.501
  162   HG12  VAL  22          2HG1      VAL  22  -4.767  -6.298  -1.546
  163   HG13  VAL  22          3HG1      VAL  22  -5.839  -5.080  -0.813
  164   HG21  VAL  22          3HG2      VAL  22  -5.941  -3.146  -3.156
  165   HG22  VAL  22          1HG2      VAL  22  -5.621  -2.643  -1.484
  166   HG23  VAL  22          2HG2      VAL  22  -4.499  -2.188  -2.778
  167    H    LYS  23           H        LYS  23  -3.586  -5.690   0.695
  168    HA   LYS  23           HA       LYS  23  -4.912  -3.841   2.528
  169    HB2  LYS  23           1HB      LYS  23  -3.663  -6.557   3.107
  170    HB3  LYS  23           2HB      LYS  23  -4.736  -5.664   4.176
  171    HG2  LYS  23           1HG      LYS  23  -5.504  -6.788   1.445
  172    HG3  LYS  23           2HG      LYS  23  -5.892  -7.484   3.016
  173    HD2  LYS  23           1HD      LYS  23  -7.229  -5.429   3.573
  174    HD3  LYS  23           2HD      LYS  23  -6.850  -4.783   1.971
  175    HE2  LYS  23           1HE      LYS  23  -9.031  -5.702   1.825
  176    HE3  LYS  23           2HE      LYS  23  -7.948  -6.756   0.913
  177    HZ1  LYS  23           3HZ      LYS  23  -9.484  -8.015   2.326
  178    HZ2  LYS  23           1HZ      LYS  23  -8.927  -7.290   3.675
  179    HZ3  LYS  23           2HZ      LYS  23  -7.954  -8.288   2.815
  180    H    ASN  24           H        ASN  24  -1.525  -4.869   2.170
  181    HA   ASN  24           HA       ASN  24  -0.632  -3.443   4.550
  182    HB2  ASN  24           1HB      ASN  24   0.866  -4.445   2.092
  183    HB3  ASN  24           2HB      ASN  24   1.633  -3.671   3.476
  184   HD21  ASN  24          1HD2      ASN  24   2.581  -6.100   2.937
  185   HD22  ASN  24          2HD2      ASN  24   1.959  -7.270   4.089
  186    H    LEU  25           H        LEU  25  -0.981  -2.522   1.096
  187    HA   LEU  25           HA       LEU  25  -0.063   0.176   1.429
  188    HB2  LEU  25           1HB      LEU  25  -0.298  -0.689  -0.788
  189    HB3  LEU  25           2HB      LEU  25  -1.979  -1.136  -0.526
  190    HG   LEU  25           HG       LEU  25  -2.652   1.215  -0.402
  191   HD11  LEU  25          1HD1      LEU  25  -1.095   3.019  -0.948
  192   HD12  LEU  25          2HD1      LEU  25   0.250   1.870  -1.140
  193   HD13  LEU  25          3HD1      LEU  25  -0.458   2.175   0.451
  194   HD21  LEU  25          3HD2      LEU  25  -0.959   0.728  -2.862
  195   HD22  LEU  25          1HD2      LEU  25  -2.358   1.801  -2.719
  196   HD23  LEU  25          2HD2      LEU  25  -2.587   0.048  -2.595
  197    H    ILE  26           H        ILE  26  -3.403  -1.201   1.787
  198    HA   ILE  26           HA       ILE  26  -4.589   1.312   2.429
  199    HB   ILE  26           HB       ILE  26  -5.434  -1.545   2.914
  200   HG12  ILE  26          1HG1      ILE  26  -6.634   0.626   1.126
  201   HG13  ILE  26          2HG1      ILE  26  -5.300  -0.374   0.577
  202   HG21  ILE  26          1HG2      ILE  26  -6.504  -0.263   4.721
  203   HG22  ILE  26          2HG2      ILE  26  -7.015   0.989   3.567
  204   HG23  ILE  26          3HG2      ILE  26  -7.706  -0.647   3.494
  205   HD11  ILE  26          3HD1      ILE  26  -7.348  -1.288  -0.257
  206   HD12  ILE  26          1HD1      ILE  26  -6.643  -2.418   0.915
  207   HD13  ILE  26          2HD1      ILE  26  -8.042  -1.409   1.372
  208    H    LYS  27           H        LYS  27  -3.111  -1.128   4.588
  209    HA   LYS  27           HA       LYS  27  -3.593   0.235   7.075
  210    HB2  LYS  27           1HB      LYS  27  -1.418  -1.677   6.141
  211    HB3  LYS  27           2HB      LYS  27  -1.504  -1.071   7.796
  212    HG2  LYS  27           1HG      LYS  27  -3.642  -2.096   8.188
  213    HG3  LYS  27           2HG      LYS  27  -3.833  -2.535   6.487
  214    HD2  LYS  27           1HD      LYS  27  -1.824  -4.011   6.650
  215    HD3  LYS  27           2HD      LYS  27  -1.688  -3.608   8.374
  216    HE2  LYS  27           1HE      LYS  27  -3.956  -4.547   8.763
  217    HE3  LYS  27           2HE      LYS  27  -4.098  -4.927   7.042
  218    HZ1  LYS  27           3HZ      LYS  27  -2.070  -6.085   8.883
  219    HZ2  LYS  27           1HZ      LYS  27  -2.181  -6.427   7.288
  220    HZ3  LYS  27           2HZ      LYS  27  -3.379  -6.869   8.308
  221    H    HIS  28           H        HIS  28  -1.058   0.723   4.620
  222    HA   HIS  28           HA       HIS  28   0.343   2.771   6.133
  223    HB2  HIS  28           1HB      HIS  28   1.596   1.735   4.447
  224    HB3  HIS  28           2HB      HIS  28   0.338   1.893   3.239
  225    HD1  HIS  28           1HD      HIS  28   2.683   4.290   5.189
  226    HD2  HIS  28           2HD      HIS  28   0.448   3.937   1.648
  227    HE1  HIS  28           1HE      HIS  28   3.208   6.364   3.832
  228    H    ILE  29           H        ILE  29  -2.110   2.987   3.474
  229    HA   ILE  29           HA       ILE  29  -2.283   5.793   3.403
  230    HB   ILE  29           HB       ILE  29  -4.386   3.691   2.790
  231   HG12  ILE  29          1HG1      ILE  29  -2.725   5.439   0.909
  232   HG13  ILE  29          2HG1      ILE  29  -2.246   3.819   1.389
  233   HG21  ILE  29          1HG2      ILE  29  -4.489   6.684   2.169
  234   HG22  ILE  29          2HG2      ILE  29  -5.637   5.472   1.569
  235   HG23  ILE  29          3HG2      ILE  29  -5.576   5.814   3.278
  236   HD11  ILE  29          3HD1      ILE  29  -4.744   4.533  -0.200
  237   HD12  ILE  29          1HD1      ILE  29  -3.308   3.694  -0.774
  238   HD13  ILE  29          2HD1      ILE  29  -4.364   2.905   0.416
  239    H    ARG  30           H        ARG  30  -4.320   3.590   5.398
  240    HA   ARG  30           HA       ARG  30  -5.808   5.733   6.591
  241    HB2  ARG  30           1HB      ARG  30  -6.820   4.076   7.940
  242    HB3  ARG  30           2HB      ARG  30  -6.514   3.334   6.365
  243    HG2  ARG  30           1HG      ARG  30  -4.402   2.328   7.382
  244    HG3  ARG  30           2HG      ARG  30  -4.973   2.873   8.953
  245    HD2  ARG  30           1HD      ARG  30  -6.485   1.014   7.076
  246    HD3  ARG  30           2HD      ARG  30  -5.533   0.500   8.480
  247    HE   ARG  30           HE       ARG  30  -7.363   2.369   9.473
  248   HH11  ARG  30          2HH1      ARG  30  -7.624  -0.779   7.955
  249   HH12  ARG  30          1HH1      ARG  30  -9.132  -1.136   8.752
  250   HH21  ARG  30          2HH2      ARG  30  -9.290   1.852  10.446
  251   HH22  ARG  30          1HH2      ARG  30 -10.041   0.317  10.127
  252    H    ASP  31           H        ASP  31  -2.618   4.852   7.278
  253    HA   ASP  31           HA       ASP  31  -2.695   6.101   9.988
  254    HB2  ASP  31           1HB      ASP  31  -1.639   3.875   9.736
  255    HB3  ASP  31           2HB      ASP  31  -0.496   4.547   8.577
  256    H    ALA  32           H        ALA  32  -1.048   6.356   6.821
  257    HA   ALA  32           HA       ALA  32   0.463   8.714   7.684
  258    HB1  ALA  32           1HB      ALA  32   0.480   7.121   5.092
  259    HB2  ALA  32           2HB      ALA  32   1.682   8.328   5.595
  260    HB3  ALA  32           3HB      ALA  32   1.512   6.817   6.510
  261    H    HIS  33           H        HIS  33  -2.358   8.181   5.628
  262    HA   HIS  33           HA       HIS  33  -2.220  11.030   4.677
  263    HB2  HIS  33           1HB      HIS  33  -3.069   8.616   3.045
  264    HB3  HIS  33           2HB      HIS  33  -2.944  10.281   2.489
  265    HD1  HIS  33           1HD      HIS  33  -0.128  11.203   2.931
  266    HD2  HIS  33           2HD      HIS  33  -1.106   7.178   2.242
  267    HE1  HIS  33           1HE      HIS  33   1.998  10.114   2.051
  268    H    ASP  34           H        ASP  34  -4.359   8.263   5.255
  269    HA   ASP  34           HA       ASP  34  -6.613   8.021   5.324
  270    HB2  ASP  34           1HB      ASP  34  -5.737   8.338   7.585
  271    HB3  ASP  34           2HB      ASP  34  -6.118  10.054   7.485
  272    HA   PRO  35           HA       PRO  35  -7.888  11.641   2.681
  273    HB2  PRO  35           1HB      PRO  35  -9.180   9.314   1.254
  274    HB3  PRO  35           2HB      PRO  35  -8.395  10.769   0.561
  275    HG2  PRO  35           1HG      PRO  35  -7.081   8.400   0.613
  276    HG3  PRO  35           2HG      PRO  35  -6.220   9.914   1.050
  277    HD2  PRO  35           1HD      PRO  35  -7.405   7.839   2.925
  278    HD3  PRO  35           2HD      PRO  35  -5.813   8.645   2.961
  279    H    GLN  36           H        GLN  36  -9.882  12.665   2.517
  280    HA   GLN  36           HA       GLN  36 -11.973  11.796   4.362
  281    HB2  GLN  36           1HB      GLN  36 -12.925  13.978   4.034
  282    HB3  GLN  36           2HB      GLN  36 -11.194  14.108   4.326
  283    HG2  GLN  36           1HG      GLN  36 -10.804  14.464   1.888
  284    HG3  GLN  36           2HG      GLN  36 -12.536  14.291   1.583
  285   HE21  GLN  36          1HE2      GLN  36 -10.115  16.359   3.293
  286   HE22  GLN  36          2HE2      GLN  36 -11.142  17.785   3.270
  287    H    ASP  37           H        ASP  37 -11.461  10.994   1.208
  288    HA   ASP  37           HA       ASP  37 -12.648  10.335  -0.605
  289    HB2  ASP  37           1HB      ASP  37 -12.928   8.481   0.940
  290    HB3  ASP  37           2HB      ASP  37 -14.425   9.175   1.554
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1   9.436 -15.915 -20.586
    2    H2   GLY   1           2H       GLY   1   9.748 -16.423 -22.112
    3    H3   GLY   1           3H       GLY   1  10.306 -17.283 -20.834
    4    HA2  GLY   1           1HA      GLY   1   8.402 -18.390 -21.812
    5    HA3  GLY   1           2HA      GLY   1   8.083 -17.866 -20.148
    6    H    SER   2           H        SER   2   6.342 -18.277 -22.649
    7    HA   SER   2           HA       SER   2   5.501 -15.829 -23.716
    8    HB2  SER   2           1HB      SER   2   3.870 -18.380 -23.443
    9    HB3  SER   2           2HB      SER   2   3.624 -17.079 -24.627
   10    HG   SER   2           HG       SER   2   4.821 -18.829 -25.512
   11    H    SER   3           H        SER   3   4.642 -17.048 -20.584
   12    HA   SER   3           HA       SER   3   2.154 -15.582 -20.231
   13    HB2  SER   3           1HB      SER   3   2.478 -16.163 -17.866
   14    HB3  SER   3           2HB      SER   3   2.731 -17.576 -18.908
   15    HG   SER   3           HG       SER   3   4.399 -17.413 -17.366
   16    H    GLY   4           H        GLY   4   5.478 -14.607 -20.278
   17    HA2  GLY   4           1HA      GLY   4   6.509 -12.597 -19.839
   18    HA3  GLY   4           2HA      GLY   4   4.945 -11.876 -19.440
   19    H    SER   5           H        SER   5   5.482 -14.703 -17.588
   20    HA   SER   5           HA       SER   5   5.644 -15.028 -15.353
   21    HB2  SER   5           1HB      SER   5   8.068 -13.219 -15.595
   22    HB3  SER   5           2HB      SER   5   7.729 -14.353 -14.277
   23    HG   SER   5           HG       SER   5   8.119 -15.006 -17.027
   24    H    SER   6           H        SER   6   3.675 -13.208 -15.845
   25    HA   SER   6           HA       SER   6   3.895 -10.755 -14.397
   26    HB2  SER   6           1HB      SER   6   1.468 -10.577 -14.789
   27    HB3  SER   6           2HB      SER   6   2.375 -10.994 -16.250
   28    HG   SER   6           HG       SER   6   0.488 -12.281 -16.012
   29    H    GLY   7           H        GLY   7   2.633 -10.025 -12.605
   30    HA2  GLY   7           1HA      GLY   7   1.351 -11.729 -10.692
   31    HA3  GLY   7           2HA      GLY   7   3.009 -11.385 -10.183
   32    H    ILE   8           H        ILE   8   1.100 -10.531  -8.521
   33    HA   ILE   8           HA       ILE   8   0.110  -7.875  -9.168
   34    HB   ILE   8           HB       ILE   8  -0.847  -7.848  -6.931
   35   HG12  ILE   8          1HG1      ILE   8   0.363 -10.622  -6.525
   36   HG13  ILE   8          2HG1      ILE   8   0.924  -9.148  -5.734
   37   HG21  ILE   8          1HG2      ILE   8  -1.987  -8.881  -8.903
   38   HG22  ILE   8          2HG2      ILE   8  -1.403 -10.473  -8.377
   39   HG23  ILE   8          3HG2      ILE   8  -2.522  -9.544  -7.359
   40   HD11  ILE   8          3HD1      ILE   8  -0.476 -10.348  -4.197
   41   HD12  ILE   8          1HD1      ILE   8  -1.325  -8.867  -4.683
   42   HD13  ILE   8          2HD1      ILE   8  -1.802 -10.444  -5.366
   43    H    LYS   9           H        LYS   9   0.528  -5.935  -8.242
   44    HA   LYS   9           HA       LYS   9   2.682  -5.516  -6.286
   45    HB2  LYS   9           1HB      LYS   9   3.794  -5.530  -8.547
   46    HB3  LYS   9           2HB      LYS   9   2.802  -4.139  -9.001
   47    HG2  LYS   9           1HG      LYS   9   3.782  -2.836  -7.117
   48    HG3  LYS   9           2HG      LYS   9   4.751  -4.238  -6.639
   49    HD2  LYS   9           1HD      LYS   9   4.932  -2.781  -9.309
   50    HD3  LYS   9           2HD      LYS   9   6.008  -2.524  -7.925
   51    HE2  LYS   9           1HE      LYS   9   6.728  -4.905  -8.040
   52    HE3  LYS   9           2HE      LYS   9   5.684  -5.151  -9.445
   53    HZ1  LYS   9           3HZ      LYS   9   7.965  -4.700 -10.120
   54    HZ2  LYS   9           1HZ      LYS   9   7.978  -3.266  -9.343
   55    HZ3  LYS   9           2HZ      LYS   9   7.007  -3.488 -10.639
   56    H    GLN  10           H        GLN  10   2.331  -3.640  -5.085
   57    HA   GLN  10           HA       GLN  10   0.006  -1.908  -5.821
   58    HB2  GLN  10           1HB      GLN  10   0.581  -3.263  -3.156
   59    HB3  GLN  10           2HB      GLN  10  -0.570  -1.952  -3.344
   60    HG2  GLN  10           1HG      GLN  10  -0.748  -4.630  -4.798
   61    HG3  GLN  10           2HG      GLN  10  -1.618  -4.208  -3.344
   62   HE21  GLN  10          1HE2      GLN  10  -3.113  -5.038  -5.494
   63   HE22  GLN  10          2HE2      GLN  10  -3.970  -3.654  -6.153
   64    H    HIS  11           H        HIS  11   0.176   0.243  -5.366
   65    HA   HIS  11           HA       HIS  11   2.487   1.194  -3.809
   66    HB2  HIS  11           1HB      HIS  11   3.321   2.664  -5.452
   67    HB3  HIS  11           2HB      HIS  11   3.200   1.084  -6.211
   68    HD1  HIS  11           1HD      HIS  11   1.495   4.555  -6.273
   69    HD2  HIS  11           2HD      HIS  11   1.560   0.872  -8.326
   70    HE1  HIS  11           1HE      HIS  11   0.218   4.922  -8.449
   71    H    CYS  12           H        CYS  12   2.387   3.265  -3.018
   72    HA   CYS  12           HA       CYS  12  -0.206   4.328  -2.335
   73    HB2  CYS  12           1HB      CYS  12   1.767   4.322  -0.879
   74    HB3  CYS  12           2HB      CYS  12   2.602   5.424  -1.994
   75    H    ARG  13           H        ARG  13  -1.157   6.150  -2.931
   76    HA   ARG  13           HA       ARG  13  -0.682   7.263  -5.649
   77    HB2  ARG  13           1HB      ARG  13  -2.902   6.483  -4.963
   78    HB3  ARG  13           2HB      ARG  13  -2.920   7.626  -3.617
   79    HG2  ARG  13           1HG      ARG  13  -2.948   9.525  -5.123
   80    HG3  ARG  13           2HG      ARG  13  -2.687   8.490  -6.535
   81    HD2  ARG  13           1HD      ARG  13  -5.098   8.347  -4.686
   82    HD3  ARG  13           2HD      ARG  13  -5.045   9.292  -6.189
   83    HE   ARG  13           HE       ARG  13  -4.308   6.670  -6.887
   84   HH11  ARG  13          2HH1      ARG  13  -7.205   8.225  -5.681
   85   HH12  ARG  13          1HH1      ARG  13  -8.256   7.042  -6.412
   86   HH21  ARG  13          2HH2      ARG  13  -5.703   5.192  -7.787
   87   HH22  ARG  13          1HH2      ARG  13  -7.419   5.374  -7.575
   88    H    PHE  14           H        PHE  14  -0.129   8.108  -2.339
   89    HA   PHE  14           HA       PHE  14  -0.011  11.023  -2.945
   90    HB2  PHE  14           1HB      PHE  14  -0.172   9.602  -0.289
   91    HB3  PHE  14           2HB      PHE  14  -0.447  11.307  -0.597
   92    HD1  PHE  14           2HD      PHE  14  -2.440  11.868  -2.269
   93    HD2  PHE  14           1HD      PHE  14  -1.966   8.069  -0.281
   94    HE1  PHE  14           2HE      PHE  14  -4.836  11.351  -2.676
   95    HE2  PHE  14           1HE      PHE  14  -4.358   7.558  -0.684
   96    HZ   PHE  14           HZ       PHE  14  -5.798   9.196  -1.887
   97    H    CYS  15           H        CYS  15   2.048   8.436  -1.686
   98    HA   CYS  15           HA       CYS  15   4.356  10.318  -1.793
   99    HB2  CYS  15           1HB      CYS  15   5.320   9.443   0.183
  100    HB3  CYS  15           2HB      CYS  15   3.704  10.052   0.530
  101    H    LYS  16           H        LYS  16   3.141   7.726  -3.256
  102    HA   LYS  16           HA       LYS  16   3.857   6.117  -4.657
  103    HB2  LYS  16           1HB      LYS  16   6.323   7.861  -4.905
  104    HB3  LYS  16           2HB      LYS  16   5.809   6.611  -6.041
  105    HG2  LYS  16           1HG      LYS  16   3.679   7.841  -6.438
  106    HG3  LYS  16           2HG      LYS  16   4.248   9.139  -5.369
  107    HD2  LYS  16           1HD      LYS  16   6.198   9.525  -6.865
  108    HD3  LYS  16           2HD      LYS  16   5.663   8.198  -7.900
  109    HE2  LYS  16           1HE      LYS  16   4.986  10.210  -8.970
  110    HE3  LYS  16           2HE      LYS  16   3.531   9.423  -8.356
  111    HZ1  LYS  16           3HZ      LYS  16   3.556  10.996  -6.487
  112    HZ2  LYS  16           1HZ      LYS  16   3.556  11.818  -7.894
  113    HZ3  LYS  16           2HZ      LYS  16   4.934  11.693  -7.034
  114    H    LYS  17           H        LYS  17   4.818   5.808  -1.733
  115    HA   LYS  17           HA       LYS  17   6.917   3.836  -1.800
  116    HB2  LYS  17           1HB      LYS  17   4.583   4.311   0.106
  117    HB3  LYS  17           2HB      LYS  17   5.755   3.012   0.325
  118    HG2  LYS  17           1HG      LYS  17   7.600   4.780   0.243
  119    HG3  LYS  17           2HG      LYS  17   6.312   5.993   0.297
  120    HD2  LYS  17           1HD      LYS  17   7.007   5.732   2.536
  121    HD3  LYS  17           2HD      LYS  17   5.485   4.821   2.422
  122    HE2  LYS  17           1HE      LYS  17   6.740   2.710   2.217
  123    HE3  LYS  17           2HE      LYS  17   8.274   3.596   2.213
  124    HZ1  LYS  17           3HZ      LYS  17   7.763   2.708   4.413
  125    HZ2  LYS  17           1HZ      LYS  17   6.351   3.528   4.474
  126    HZ3  LYS  17           2HZ      LYS  17   7.774   4.339   4.477
  127    H    LYS  18           H        LYS  18   6.599   1.557  -1.346
  128    HA   LYS  18           HA       LYS  18   4.482   0.354  -3.111
  129    HB2  LYS  18           1HB      LYS  18   7.476  -0.125  -3.314
  130    HB3  LYS  18           2HB      LYS  18   6.229  -1.024  -4.200
  131    HG2  LYS  18           1HG      LYS  18   5.452   1.045  -5.287
  132    HG3  LYS  18           2HG      LYS  18   6.628   1.994  -4.369
  133    HD2  LYS  18           1HD      LYS  18   8.491   0.796  -5.483
  134    HD3  LYS  18           2HD      LYS  18   7.308  -0.114  -6.435
  135    HE2  LYS  18           1HE      LYS  18   8.122   1.730  -7.777
  136    HE3  LYS  18           2HE      LYS  18   6.424   2.009  -7.383
  137    HZ1  LYS  18           3HZ      LYS  18   7.141   3.596  -5.662
  138    HZ2  LYS  18           1HZ      LYS  18   7.790   4.014  -7.100
  139    HZ3  LYS  18           2HZ      LYS  18   8.720   3.284  -5.980
  140    H    TYR  19           H        TYR  19   3.700  -1.560  -2.630
  141    HA   TYR  19           HA       TYR  19   4.570  -2.882  -0.101
  142    HB2  TYR  19           1HB      TYR  19   1.835  -1.771  -0.809
  143    HB3  TYR  19           2HB      TYR  19   2.097  -2.925   0.492
  144    HD1  TYR  19           2HD      TYR  19   3.471  -2.362   2.468
  145    HD2  TYR  19           1HD      TYR  19   2.552   0.592  -0.543
  146    HE1  TYR  19           2HE      TYR  19   4.284  -0.569   3.982
  147    HE2  TYR  19           1HE      TYR  19   3.393   2.390   0.981
  148    HH   TYR  19           HH       TYR  19   4.674   1.634   4.244
  149    H    SER  20           H        SER  20   3.828  -4.962   0.293
  150    HA   SER  20           HA       SER  20   3.877  -6.685  -2.036
  151    HB2  SER  20           1HB      SER  20   3.965  -8.454  -0.242
  152    HB3  SER  20           2HB      SER  20   5.221  -7.210  -0.128
  153    HG   SER  20           HG       SER  20   4.263  -7.617   1.903
  154    H    ASP  21           H        ASP  21   1.299  -5.425  -0.121
  155    HA   ASP  21           HA       ASP  21  -0.700  -7.156  -1.429
  156    HB2  ASP  21           1HB      ASP  21   0.098  -8.203   0.802
  157    HB3  ASP  21           2HB      ASP  21  -0.674  -6.838   1.600
  158    H    VAL  22           H        VAL  22  -2.791  -6.175  -1.447
  159    HA   VAL  22           HA       VAL  22  -2.884  -3.280  -1.371
  160    HB   VAL  22           HB       VAL  22  -4.244  -4.762  -2.862
  161   HG11  VAL  22          1HG1      VAL  22  -6.055  -5.169  -0.446
  162   HG12  VAL  22          2HG1      VAL  22  -6.344  -5.697  -2.112
  163   HG13  VAL  22          3HG1      VAL  22  -5.029  -6.424  -1.178
  164   HG21  VAL  22          3HG2      VAL  22  -5.819  -2.749  -1.218
  165   HG22  VAL  22          1HG2      VAL  22  -4.736  -2.371  -2.574
  166   HG23  VAL  22          2HG2      VAL  22  -6.207  -3.317  -2.854
  167    H    LYS  23           H        LYS  23  -3.636  -5.831   0.921
  168    HA   LYS  23           HA       LYS  23  -4.996  -4.297   2.949
  169    HB2  LYS  23           1HB      LYS  23  -3.165  -6.708   3.195
  170    HB3  LYS  23           2HB      LYS  23  -4.251  -6.115   4.459
  171    HG2  LYS  23           1HG      LYS  23  -6.222  -6.621   3.119
  172    HG3  LYS  23           2HG      LYS  23  -5.240  -6.999   1.711
  173    HD2  LYS  23           1HD      LYS  23  -4.114  -8.769   3.404
  174    HD3  LYS  23           2HD      LYS  23  -5.672  -8.588   4.217
  175    HE2  LYS  23           1HE      LYS  23  -5.904 -10.443   2.724
  176    HE3  LYS  23           2HE      LYS  23  -6.773  -9.101   1.968
  177    HZ1  LYS  23           3HZ      LYS  23  -4.009  -9.994   1.268
  178    HZ2  LYS  23           1HZ      LYS  23  -4.689  -8.707   0.632
  179    HZ3  LYS  23           2HZ      LYS  23  -5.349 -10.193   0.334
  180    H    ASN  24           H        ASN  24  -1.537  -4.937   2.383
  181    HA   ASN  24           HA       ASN  24  -0.591  -3.451   4.687
  182    HB2  ASN  24           1HB      ASN  24   0.814  -4.455   2.168
  183    HB3  ASN  24           2HB      ASN  24   1.635  -3.720   3.541
  184   HD21  ASN  24          1HD2      ASN  24   2.273  -6.362   2.652
  185   HD22  ASN  24          2HD2      ASN  24   1.767  -7.431   3.944
  186    H    LEU  25           H        LEU  25  -0.981  -2.643   1.216
  187    HA   LEU  25           HA       LEU  25  -0.077   0.057   1.349
  188    HB2  LEU  25           1HB      LEU  25  -0.439  -1.037  -0.771
  189    HB3  LEU  25           2HB      LEU  25  -2.125  -1.367  -0.386
  190    HG   LEU  25           HG       LEU  25  -2.688   1.008  -0.490
  191   HD11  LEU  25          1HD1      LEU  25   0.240   1.409  -1.288
  192   HD12  LEU  25          2HD1      LEU  25  -0.519   2.024   0.195
  193   HD13  LEU  25          3HD1      LEU  25  -1.043   2.635  -1.369
  194   HD21  LEU  25          3HD2      LEU  25  -2.757  -0.387  -2.549
  195   HD22  LEU  25          1HD2      LEU  25  -1.119   0.186  -2.950
  196   HD23  LEU  25          2HD2      LEU  25  -2.464   1.333  -2.865
  197    H    ILE  26           H        ILE  26  -3.414  -1.257   1.893
  198    HA   ILE  26           HA       ILE  26  -4.540   1.311   2.484
  199    HB   ILE  26           HB       ILE  26  -5.445  -1.521   3.024
  200   HG12  ILE  26          1HG1      ILE  26  -6.569   0.670   1.204
  201   HG13  ILE  26          2HG1      ILE  26  -5.331  -0.451   0.665
  202   HG21  ILE  26          1HG2      ILE  26  -6.969   1.056   3.642
  203   HG22  ILE  26          2HG2      ILE  26  -7.679  -0.572   3.634
  204   HG23  ILE  26          3HG2      ILE  26  -6.452  -0.170   4.822
  205   HD11  ILE  26          3HD1      ILE  26  -8.142  -1.210   1.526
  206   HD12  ILE  26          1HD1      ILE  26  -7.446  -1.247  -0.102
  207   HD13  ILE  26          2HD1      ILE  26  -6.843  -2.369   1.137
  208    H    LYS  27           H        LYS  27  -3.057  -1.126   4.657
  209    HA   LYS  27           HA       LYS  27  -3.530   0.302   7.092
  210    HB2  LYS  27           1HB      LYS  27  -2.493  -2.136   6.463
  211    HB3  LYS  27           2HB      LYS  27  -0.994  -1.298   6.804
  212    HG2  LYS  27           1HG      LYS  27  -3.426  -1.599   8.635
  213    HG3  LYS  27           2HG      LYS  27  -1.952  -2.548   8.725
  214    HD2  LYS  27           1HD      LYS  27  -2.225   0.413   9.376
  215    HD3  LYS  27           2HD      LYS  27  -2.019  -0.922  10.505
  216    HE2  LYS  27           1HE      LYS  27   0.202  -1.445   9.435
  217    HE3  LYS  27           2HE      LYS  27   0.015  -0.000   8.429
  218    HZ1  LYS  27           3HZ      LYS  27   0.134  -0.015  11.396
  219    HZ2  LYS  27           1HZ      LYS  27  -0.104   1.323  10.488
  220    HZ3  LYS  27           2HZ      LYS  27   1.315   0.511  10.397
  221    H    HIS  28           H        HIS  28  -0.927   0.664   4.671
  222    HA   HIS  28           HA       HIS  28   0.489   2.748   6.099
  223    HB2  HIS  28           1HB      HIS  28   1.667   1.694   4.362
  224    HB3  HIS  28           2HB      HIS  28   0.367   1.873   3.203
  225    HD1  HIS  28           1HD      HIS  28   2.831   4.213   5.066
  226    HD2  HIS  28           2HD      HIS  28   0.420   3.950   1.634
  227    HE1  HIS  28           1HE      HIS  28   3.307   6.313   3.731
  228    H    ILE  29           H        ILE  29  -2.003   2.953   3.486
  229    HA   ILE  29           HA       ILE  29  -2.207   5.748   3.414
  230    HB   ILE  29           HB       ILE  29  -4.256   3.597   2.810
  231   HG12  ILE  29          1HG1      ILE  29  -2.667   5.404   0.923
  232   HG13  ILE  29          2HG1      ILE  29  -2.102   3.819   1.425
  233   HG21  ILE  29          1HG2      ILE  29  -4.463   6.584   2.211
  234   HG22  ILE  29          2HG2      ILE  29  -5.553   5.337   1.575
  235   HG23  ILE  29          3HG2      ILE  29  -5.527   5.650   3.293
  236   HD11  ILE  29          3HD1      ILE  29  -4.624   4.380  -0.181
  237   HD12  ILE  29          1HD1      ILE  29  -3.144   3.592  -0.728
  238   HD13  ILE  29          2HD1      ILE  29  -4.177   2.786   0.474
  239    H    ARG  30           H        ARG  30  -4.197   3.549   5.467
  240    HA   ARG  30           HA       ARG  30  -5.730   5.679   6.597
  241    HB2  ARG  30           1HB      ARG  30  -6.624   4.100   8.133
  242    HB3  ARG  30           2HB      ARG  30  -6.521   3.399   6.527
  243    HG2  ARG  30           1HG      ARG  30  -5.359   1.698   7.245
  244    HG3  ARG  30           2HG      ARG  30  -4.090   2.711   7.923
  245    HD2  ARG  30           1HD      ARG  30  -6.674   1.986   9.362
  246    HD3  ARG  30           2HD      ARG  30  -5.149   1.122   9.547
  247    HE   ARG  30           HE       ARG  30  -4.111   3.206  10.418
  248   HH11  ARG  30          2HH1      ARG  30  -7.623   3.100  10.703
  249   HH12  ARG  30          1HH1      ARG  30  -7.594   4.282  11.983
  250   HH21  ARG  30          2HH2      ARG  30  -4.146   4.581  11.902
  251   HH22  ARG  30          1HH2      ARG  30  -5.631   5.134  12.686
  252    H    ASP  31           H        ASP  31  -2.507   4.807   7.392
  253    HA   ASP  31           HA       ASP  31  -2.611   6.329   9.957
  254    HB2  ASP  31           1HB      ASP  31  -0.514   4.551   8.666
  255    HB3  ASP  31           2HB      ASP  31  -0.189   5.567  10.063
  256    H    ALA  32           H        ALA  32  -1.087   6.437   6.713
  257    HA   ALA  32           HA       ALA  32   0.458   8.815   7.456
  258    HB1  ALA  32           1HB      ALA  32   1.472   6.901   6.298
  259    HB2  ALA  32           2HB      ALA  32   0.377   7.142   4.917
  260    HB3  ALA  32           3HB      ALA  32   1.583   8.380   5.323
  261    H    HIS  33           H        HIS  33  -2.424   8.214   5.496
  262    HA   HIS  33           HA       HIS  33  -2.372  11.061   4.525
  263    HB2  HIS  33           1HB      HIS  33  -3.121   8.633   2.863
  264    HB3  HIS  33           2HB      HIS  33  -2.981  10.300   2.316
  265    HD1  HIS  33           1HD      HIS  33  -0.195  11.232   2.808
  266    HD2  HIS  33           2HD      HIS  33  -1.107   7.173   2.226
  267    HE1  HIS  33           1HE      HIS  33   1.979  10.132   2.078
  268    H    ASP  34           H        ASP  34  -4.377   8.204   5.108
  269    HA   ASP  34           HA       ASP  34  -6.588   7.831   5.156
  270    HB2  ASP  34           1HB      ASP  34  -5.792   8.334   7.423
  271    HB3  ASP  34           2HB      ASP  34  -6.381   9.989   7.262
  272    HA   PRO  35           HA       PRO  35  -8.397  11.279   2.610
  273    HB2  PRO  35           1HB      PRO  35  -8.586  10.079   0.200
  274    HB3  PRO  35           2HB      PRO  35  -7.000  10.633   0.821
  275    HG2  PRO  35           1HG      PRO  35  -8.181   7.832   0.999
  276    HG3  PRO  35           2HG      PRO  35  -6.574   8.304   0.363
  277    HD2  PRO  35           1HD      PRO  35  -6.982   7.485   2.954
  278    HD3  PRO  35           2HD      PRO  35  -5.730   8.695   2.512
  279    H    GLN  36           H        GLN  36  -9.436   8.546   4.072
  280    HA   GLN  36           HA       GLN  36 -11.737   7.723   2.574
  281    HB2  GLN  36           1HB      GLN  36 -10.996   7.230   5.486
  282    HB3  GLN  36           2HB      GLN  36 -12.177   6.317   4.546
  283    HG2  GLN  36           1HG      GLN  36 -10.396   5.527   3.020
  284    HG3  GLN  36           2HG      GLN  36  -9.185   6.430   3.939
  285   HE21  GLN  36          1HE2      GLN  36  -9.052   5.893   6.363
  286   HE22  GLN  36          2HE2      GLN  36  -9.273   4.183   6.769
  287    H    ASP  37           H        ASP  37 -11.321  10.360   4.719
  288    HA   ASP  37           HA       ASP  37 -14.242  10.914   4.824
  289    HB2  ASP  37           1HB      ASP  37 -13.689   9.776   6.934
  290    HB3  ASP  37           2HB      ASP  37 -12.409  10.943   7.250
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  19.444  -7.813 -11.987
    2    H2   GLY   1           2H       GLY   1  18.062  -8.351 -11.290
    3    H3   GLY   1           3H       GLY   1  18.473  -6.770 -11.178
    4    HA2  GLY   1           1HA      GLY   1  18.209  -6.460 -13.547
    5    HA3  GLY   1           2HA      GLY   1  17.784  -8.176 -13.678
    6    H    SER   2           H        SER   2  16.196  -5.813 -14.418
    7    HA   SER   2           HA       SER   2  14.103  -5.334 -12.520
    8    HB2  SER   2           1HB      SER   2  14.050  -5.019 -15.543
    9    HB3  SER   2           2HB      SER   2  12.951  -4.252 -14.385
   10    HG   SER   2           HG       SER   2  14.711  -3.093 -13.535
   11    H    SER   3           H        SER   3  11.917  -5.972 -12.520
   12    HA   SER   3           HA       SER   3  11.346  -8.726 -13.290
   13    HB2  SER   3           1HB      SER   3   9.140  -8.249 -12.230
   14    HB3  SER   3           2HB      SER   3  10.532  -7.951 -11.178
   15    HG   SER   3           HG       SER   3   8.968  -6.248 -11.106
   16    H    GLY   4           H        GLY   4   9.402  -9.348 -14.466
   17    HA2  GLY   4           1HA      GLY   4   7.896  -7.625 -16.159
   18    HA3  GLY   4           2HA      GLY   4   9.228  -8.293 -17.107
   19    H    SER   5           H        SER   5   6.076  -8.769 -16.288
   20    HA   SER   5           HA       SER   5   4.574 -10.446 -16.136
   21    HB2  SER   5           1HB      SER   5   6.403 -11.886 -18.079
   22    HB3  SER   5           2HB      SER   5   4.692 -12.241 -17.780
   23    HG   SER   5           HG       SER   5   4.998 -10.887 -19.616
   24    H    SER   6           H        SER   6   6.883 -10.571 -14.209
   25    HA   SER   6           HA       SER   6   6.849 -13.446 -13.426
   26    HB2  SER   6           1HB      SER   6   9.025 -12.913 -12.365
   27    HB3  SER   6           2HB      SER   6   9.009 -12.677 -14.118
   28    HG   SER   6           HG       SER   6   9.991 -10.971 -12.758
   29    H    GLY   7           H        GLY   7   5.616 -10.459 -12.359
   30    HA2  GLY   7           1HA      GLY   7   4.341 -11.421 -10.071
   31    HA3  GLY   7           2HA      GLY   7   5.867 -10.738  -9.503
   32    H    ILE   8           H        ILE   8   3.721  -9.599  -8.501
   33    HA   ILE   8           HA       ILE   8   3.616  -6.906  -9.742
   34    HB   ILE   8           HB       ILE   8   1.211  -6.700  -9.176
   35   HG12  ILE   8          1HG1      ILE   8   1.200  -9.740  -8.913
   36   HG13  ILE   8          2HG1      ILE   8   1.054  -8.609  -7.566
   37   HG21  ILE   8          1HG2      ILE   8   1.718  -8.862 -11.249
   38   HG22  ILE   8          2HG2      ILE   8   0.401  -7.668 -11.214
   39   HG23  ILE   8          3HG2      ILE   8   2.058  -7.133 -11.487
   40   HD11  ILE   8          3HD1      ILE   8  -1.028  -7.679  -8.597
   41   HD12  ILE   8          1HD1      ILE   8  -0.933  -8.950  -9.842
   42   HD13  ILE   8          2HD1      ILE   8  -1.141  -9.391  -8.141
   43    H    LYS   9           H        LYS   9   3.189  -5.210  -8.376
   44    HA   LYS   9           HA       LYS   9   2.842  -5.622  -5.469
   45    HB2  LYS   9           1HB      LYS   9   5.086  -3.946  -6.679
   46    HB3  LYS   9           2HB      LYS   9   4.497  -3.757  -5.023
   47    HG2  LYS   9           1HG      LYS   9   5.008  -6.190  -4.608
   48    HG3  LYS   9           2HG      LYS   9   5.801  -6.252  -6.183
   49    HD2  LYS   9           1HD      LYS   9   6.554  -4.440  -3.848
   50    HD3  LYS   9           2HD      LYS   9   7.393  -5.919  -4.291
   51    HE2  LYS   9           1HE      LYS   9   7.173  -3.442  -6.068
   52    HE3  LYS   9           2HE      LYS   9   8.540  -3.814  -5.019
   53    HZ1  LYS   9           3HZ      LYS   9   7.657  -5.505  -7.297
   54    HZ2  LYS   9           1HZ      LYS   9   8.902  -5.856  -6.297
   55    HZ3  LYS   9           2HZ      LYS   9   8.980  -4.552  -7.272
   56    H    GLN  10           H        GLN  10   1.978  -3.802  -4.418
   57    HA   GLN  10           HA       GLN  10   0.337  -2.015  -6.162
   58    HB2  GLN  10           1HB      GLN  10   0.146  -2.601  -3.176
   59    HB3  GLN  10           2HB      GLN  10  -0.964  -1.617  -4.122
   60    HG2  GLN  10           1HG      GLN  10  -0.510  -4.621  -4.375
   61    HG3  GLN  10           2HG      GLN  10  -1.929  -3.823  -3.727
   62   HE21  GLN  10          1HE2      GLN  10  -1.611  -5.737  -6.084
   63   HE22  GLN  10          2HE2      GLN  10  -2.353  -4.862  -7.413
   64    H    HIS  11           H        HIS  11   0.255   0.308  -5.657
   65    HA   HIS  11           HA       HIS  11   2.502   1.276  -3.995
   66    HB2  HIS  11           1HB      HIS  11   3.307   2.823  -5.549
   67    HB3  HIS  11           2HB      HIS  11   3.208   1.287  -6.397
   68    HD1  HIS  11           1HD      HIS  11   1.413   4.721  -6.256
   69    HD2  HIS  11           2HD      HIS  11   1.617   1.182  -8.541
   70    HE1  HIS  11           1HE      HIS  11   0.155   5.189  -8.421
   71    H    CYS  12           H        CYS  12   2.340   3.248  -3.036
   72    HA   CYS  12           HA       CYS  12  -0.239   4.241  -2.322
   73    HB2  CYS  12           1HB      CYS  12   1.724   4.299  -0.887
   74    HB3  CYS  12           2HB      CYS  12   2.550   5.390  -2.013
   75    H    ARG  13           H        ARG  13  -1.363   5.917  -2.900
   76    HA   ARG  13           HA       ARG  13  -1.091   7.109  -5.581
   77    HB2  ARG  13           1HB      ARG  13  -3.244   6.309  -4.716
   78    HB3  ARG  13           2HB      ARG  13  -3.128   7.386  -3.321
   79    HG2  ARG  13           1HG      ARG  13  -3.354   9.356  -4.753
   80    HG3  ARG  13           2HG      ARG  13  -3.305   8.339  -6.208
   81    HD2  ARG  13           1HD      ARG  13  -5.411   7.219  -5.457
   82    HD3  ARG  13           2HD      ARG  13  -5.413   8.217  -4.005
   83    HE   ARG  13           HE       ARG  13  -6.137  10.064  -5.215
   84   HH11  ARG  13          2HH1      ARG  13  -5.393   7.541  -7.538
   85   HH12  ARG  13          1HH1      ARG  13  -6.159   8.401  -8.844
   86   HH21  ARG  13          2HH2      ARG  13  -7.092  11.096  -6.926
   87   HH22  ARG  13          1HH2      ARG  13  -7.092  10.359  -8.501
   88    H    PHE  14           H        PHE  14  -0.270   7.981  -2.337
   89    HA   PHE  14           HA       PHE  14  -0.189  10.894  -2.984
   90    HB2  PHE  14           1HB      PHE  14  -0.232   9.507  -0.307
   91    HB3  PHE  14           2HB      PHE  14  -0.470  11.218  -0.610
   92    HD1  PHE  14           2HD      PHE  14  -2.565  11.892  -2.034
   93    HD2  PHE  14           1HD      PHE  14  -2.055   7.995  -0.255
   94    HE1  PHE  14           2HE      PHE  14  -5.009  11.480  -2.223
   95    HE2  PHE  14           1HE      PHE  14  -4.497   7.592  -0.435
   96    HZ   PHE  14           HZ       PHE  14  -5.977   9.331  -1.423
   97    H    CYS  15           H        CYS  15   1.903   8.285  -1.780
   98    HA   CYS  15           HA       CYS  15   4.214  10.137  -2.022
   99    HB2  CYS  15           1HB      CYS  15   5.208   9.446  -0.024
  100    HB3  CYS  15           2HB      CYS  15   3.593  10.058   0.316
  101    H    LYS  16           H        LYS  16   3.004   7.527  -3.357
  102    HA   LYS  16           HA       LYS  16   3.711   5.866  -4.712
  103    HB2  LYS  16           1HB      LYS  16   6.145   7.647  -5.003
  104    HB3  LYS  16           2HB      LYS  16   5.661   6.358  -6.111
  105    HG2  LYS  16           1HG      LYS  16   3.512   7.529  -6.561
  106    HG3  LYS  16           2HG      LYS  16   3.992   8.829  -5.466
  107    HD2  LYS  16           1HD      LYS  16   4.386   9.567  -7.700
  108    HD3  LYS  16           2HD      LYS  16   5.953   9.329  -6.915
  109    HE2  LYS  16           1HE      LYS  16   6.199   7.139  -8.063
  110    HE3  LYS  16           2HE      LYS  16   4.602   7.337  -8.799
  111    HZ1  LYS  16           3HZ      LYS  16   6.372   8.001 -10.324
  112    HZ2  LYS  16           1HZ      LYS  16   6.932   9.122  -9.279
  113    HZ3  LYS  16           2HZ      LYS  16   5.459   9.302  -9.963
  114    H    LYS  17           H        LYS  17   4.738   5.629  -1.808
  115    HA   LYS  17           HA       LYS  17   6.842   3.675  -1.796
  116    HB2  LYS  17           1HB      LYS  17   4.463   4.227   0.033
  117    HB3  LYS  17           2HB      LYS  17   5.667   2.981   0.377
  118    HG2  LYS  17           1HG      LYS  17   7.460   4.670   0.382
  119    HG3  LYS  17           2HG      LYS  17   6.279   5.922  -0.051
  120    HD2  LYS  17           1HD      LYS  17   5.047   5.382   2.104
  121    HD3  LYS  17           2HD      LYS  17   6.372   4.302   2.529
  122    HE2  LYS  17           1HE      LYS  17   6.606   6.473   3.638
  123    HE3  LYS  17           2HE      LYS  17   7.959   6.180   2.542
  124    HZ1  LYS  17           3HZ      LYS  17   5.589   7.780   1.722
  125    HZ2  LYS  17           1HZ      LYS  17   7.029   7.700   0.978
  126    HZ3  LYS  17           2HZ      LYS  17   6.919   8.468   2.418
  127    H    LYS  18           H        LYS  18   6.685   1.414  -1.595
  128    HA   LYS  18           HA       LYS  18   4.415   0.241  -3.166
  129    HB2  LYS  18           1HB      LYS  18   7.382  -0.316  -3.444
  130    HB3  LYS  18           2HB      LYS  18   6.096  -1.199  -4.289
  131    HG2  LYS  18           1HG      LYS  18   5.328   0.852  -5.382
  132    HG3  LYS  18           2HG      LYS  18   6.495   1.817  -4.472
  133    HD2  LYS  18           1HD      LYS  18   8.367   0.611  -5.589
  134    HD3  LYS  18           2HD      LYS  18   7.177  -0.285  -6.548
  135    HE2  LYS  18           1HE      LYS  18   8.000   1.564  -7.874
  136    HE3  LYS  18           2HE      LYS  18   6.305   1.852  -7.477
  137    HZ1  LYS  18           3HZ      LYS  18   7.690   3.844  -7.176
  138    HZ2  LYS  18           1HZ      LYS  18   8.611   3.094  -6.061
  139    HZ3  LYS  18           2HZ      LYS  18   7.034   3.416  -5.742
  140    H    TYR  19           H        TYR  19   3.560  -1.640  -2.703
  141    HA   TYR  19           HA       TYR  19   4.421  -3.050  -0.210
  142    HB2  TYR  19           1HB      TYR  19   1.661  -1.995  -0.935
  143    HB3  TYR  19           2HB      TYR  19   2.006  -3.036   0.439
  144    HD1  TYR  19           1HD      TYR  19   2.346   0.389  -0.917
  145    HD2  TYR  19           2HD      TYR  19   3.328  -2.235   2.366
  146    HE1  TYR  19           1HE      TYR  19   3.167   2.342   0.408
  147    HE2  TYR  19           2HE      TYR  19   4.126  -0.287   3.685
  148    HH   TYR  19           HH       TYR  19   4.563   1.954   3.682
  149    H    SER  20           H        SER  20   4.067  -5.213  -0.083
  150    HA   SER  20           HA       SER  20   3.763  -6.690  -2.528
  151    HB2  SER  20           1HB      SER  20   3.779  -7.709   0.334
  152    HB3  SER  20           2HB      SER  20   4.133  -8.650  -1.124
  153    HG   SER  20           HG       SER  20   5.990  -7.415  -1.446
  154    H    ASP  21           H        ASP  21   1.373  -5.600  -0.312
  155    HA   ASP  21           HA       ASP  21  -0.727  -7.170  -1.663
  156    HB2  ASP  21           1HB      ASP  21   0.077  -8.387   0.474
  157    HB3  ASP  21           2HB      ASP  21  -0.607  -7.035   1.370
  158    H    VAL  22           H        VAL  22  -2.754  -6.111  -1.654
  159    HA   VAL  22           HA       VAL  22  -2.656  -3.248  -1.390
  160    HB   VAL  22           HB       VAL  22  -4.053  -4.646  -2.996
  161   HG11  VAL  22          1HG1      VAL  22  -6.308  -5.230  -2.401
  162   HG12  VAL  22          2HG1      VAL  22  -5.197  -6.089  -1.322
  163   HG13  VAL  22          3HG1      VAL  22  -6.089  -4.661  -0.738
  164   HG21  VAL  22          3HG2      VAL  22  -5.344  -2.319  -1.534
  165   HG22  VAL  22          1HG2      VAL  22  -4.176  -2.210  -2.858
  166   HG23  VAL  22          2HG2      VAL  22  -5.781  -2.901  -3.152
  167    H    LYS  23           H        LYS  23  -3.699  -5.800   0.813
  168    HA   LYS  23           HA       LYS  23  -5.153  -4.102   2.661
  169    HB2  LYS  23           1HB      LYS  23  -3.701  -6.747   3.086
  170    HB3  LYS  23           2HB      LYS  23  -4.736  -5.964   4.289
  171    HG2  LYS  23           1HG      LYS  23  -6.656  -6.034   2.742
  172    HG3  LYS  23           2HG      LYS  23  -5.679  -6.829   1.514
  173    HD2  LYS  23           1HD      LYS  23  -6.371  -7.946   4.264
  174    HD3  LYS  23           2HD      LYS  23  -7.127  -8.413   2.745
  175    HE2  LYS  23           1HE      LYS  23  -4.212  -8.875   3.521
  176    HE3  LYS  23           2HE      LYS  23  -5.495 -10.085   3.503
  177    HZ1  LYS  23           3HZ      LYS  23  -4.386  -8.669   1.137
  178    HZ2  LYS  23           1HZ      LYS  23  -5.691  -9.679   1.067
  179    HZ3  LYS  23           2HZ      LYS  23  -4.210 -10.237   1.481
  180    H    ASN  24           H        ASN  24  -1.700  -4.932   2.420
  181    HA   ASN  24           HA       ASN  24  -0.915  -3.384   4.762
  182    HB2  ASN  24           1HB      ASN  24   0.628  -4.467   2.362
  183    HB3  ASN  24           2HB      ASN  24   1.380  -3.548   3.662
  184   HD21  ASN  24          1HD2      ASN  24   1.347  -4.447   5.868
  185   HD22  ASN  24          2HD2      ASN  24   1.171  -6.185   6.055
  186    H    LEU  25           H        LEU  25  -1.328  -2.596   1.290
  187    HA   LEU  25           HA       LEU  25  -0.326   0.074   1.501
  188    HB2  LEU  25           1HB      LEU  25  -0.532  -0.944  -0.654
  189    HB3  LEU  25           2HB      LEU  25  -2.258  -1.221  -0.439
  190    HG   LEU  25           HG       LEU  25  -2.722   1.174  -0.482
  191   HD11  LEU  25          1HD1      LEU  25  -0.530   2.014   0.424
  192   HD12  LEU  25          2HD1      LEU  25  -1.043   2.807  -1.053
  193   HD13  LEU  25          3HD1      LEU  25   0.235   1.569  -1.114
  194   HD21  LEU  25          3HD2      LEU  25  -2.701  -0.130  -2.583
  195   HD22  LEU  25          1HD2      LEU  25  -0.993   0.312  -2.822
  196   HD23  LEU  25          2HD2      LEU  25  -2.251   1.565  -2.833
  197    H    ILE  26           H        ILE  26  -3.847  -1.045   1.758
  198    HA   ILE  26           HA       ILE  26  -4.777   1.464   2.554
  199    HB   ILE  26           HB       ILE  26  -5.760  -1.349   3.063
  200   HG12  ILE  26          1HG1      ILE  26  -7.708  -0.321   1.743
  201   HG13  ILE  26          2HG1      ILE  26  -6.681   1.090   1.474
  202   HG21  ILE  26          1HG2      ILE  26  -6.497  -0.129   5.070
  203   HG22  ILE  26          2HG2      ILE  26  -7.052   1.234   4.061
  204   HG23  ILE  26          3HG2      ILE  26  -7.863  -0.347   3.988
  205   HD11  ILE  26          3HD1      ILE  26  -6.204  -1.735   0.511
  206   HD12  ILE  26          1HD1      ILE  26  -6.797  -0.381  -0.462
  207   HD13  ILE  26          2HD1      ILE  26  -5.143  -0.332   0.154
  208    H    LYS  27           H        LYS  27  -3.240  -1.037   4.619
  209    HA   LYS  27           HA       LYS  27  -3.605   0.331   7.100
  210    HB2  LYS  27           1HB      LYS  27  -2.571  -2.104   6.347
  211    HB3  LYS  27           2HB      LYS  27  -1.095  -1.270   6.779
  212    HG2  LYS  27           1HG      LYS  27  -3.573  -1.728   8.500
  213    HG3  LYS  27           2HG      LYS  27  -2.041  -2.575   8.637
  214    HD2  LYS  27           1HD      LYS  27  -2.548   0.352   9.311
  215    HD3  LYS  27           2HD      LYS  27  -2.320  -0.975  10.445
  216    HE2  LYS  27           1HE      LYS  27  -0.016  -1.334   9.631
  217    HE3  LYS  27           2HE      LYS  27  -0.212  -0.031   8.451
  218    HZ1  LYS  27           3HZ      LYS  27  -0.351   0.321  11.396
  219    HZ2  LYS  27           1HZ      LYS  27  -0.531   1.518  10.295
  220    HZ3  LYS  27           2HZ      LYS  27   0.906   0.757  10.454
  221    H    HIS  28           H        HIS  28  -1.097   0.741   4.615
  222    HA   HIS  28           HA       HIS  28   0.410   2.754   6.072
  223    HB2  HIS  28           1HB      HIS  28   1.542   1.684   4.302
  224    HB3  HIS  28           2HB      HIS  28   0.228   1.919   3.164
  225    HD1  HIS  28           1HD      HIS  28   2.689   4.229   5.090
  226    HD2  HIS  28           2HD      HIS  28   0.388   3.962   1.584
  227    HE1  HIS  28           1HE      HIS  28   3.197   6.331   3.774
  228    H    ILE  29           H        ILE  29  -2.142   3.015   3.526
  229    HA   ILE  29           HA       ILE  29  -2.251   5.814   3.414
  230    HB   ILE  29           HB       ILE  29  -4.411   3.743   2.923
  231   HG12  ILE  29          1HG1      ILE  29  -2.820   5.414   0.920
  232   HG13  ILE  29          2HG1      ILE  29  -2.280   3.835   1.461
  233   HG21  ILE  29          1HG2      ILE  29  -5.650   5.524   1.672
  234   HG22  ILE  29          2HG2      ILE  29  -5.564   5.866   3.384
  235   HG23  ILE  29          3HG2      ILE  29  -4.484   6.726   2.260
  236   HD11  ILE  29          3HD1      ILE  29  -3.418   3.553  -0.633
  237   HD12  ILE  29          1HD1      ILE  29  -4.426   2.827   0.639
  238   HD13  ILE  29          2HD1      ILE  29  -4.851   4.408  -0.060
  239    H    ARG  30           H        ARG  30  -4.260   3.714   5.549
  240    HA   ARG  30           HA       ARG  30  -5.629   5.930   6.765
  241    HB2  ARG  30           1HB      ARG  30  -6.607   4.337   8.213
  242    HB3  ARG  30           2HB      ARG  30  -6.408   3.542   6.650
  243    HG2  ARG  30           1HG      ARG  30  -4.275   2.498   7.558
  244    HG3  ARG  30           2HG      ARG  30  -4.694   3.136   9.148
  245    HD2  ARG  30           1HD      ARG  30  -6.415   1.251   7.484
  246    HD3  ARG  30           2HD      ARG  30  -5.367   0.761   8.827
  247    HE   ARG  30           HE       ARG  30  -7.038   2.727   9.894
  248   HH11  ARG  30          2HH1      ARG  30  -7.558  -0.448   8.502
  249   HH12  ARG  30          1HH1      ARG  30  -9.014  -0.709   9.422
  250   HH21  ARG  30          2HH2      ARG  30  -8.905   2.329  11.027
  251   HH22  ARG  30          1HH2      ARG  30  -9.747   0.823  10.815
  252    H    ASP  31           H        ASP  31  -2.433   4.914   7.327
  253    HA   ASP  31           HA       ASP  31  -2.306   6.210  10.006
  254    HB2  ASP  31           1HB      ASP  31  -1.273   3.985   9.663
  255    HB3  ASP  31           2HB      ASP  31  -0.215   4.666   8.430
  256    H    ALA  32           H        ALA  32  -0.913   6.478   6.725
  257    HA   ALA  32           HA       ALA  32   0.647   8.845   7.485
  258    HB1  ALA  32           1HB      ALA  32   1.730   8.447   5.317
  259    HB2  ALA  32           2HB      ALA  32   1.643   6.954   6.275
  260    HB3  ALA  32           3HB      ALA  32   0.515   7.211   4.924
  261    H    HIS  33           H        HIS  33  -2.283   8.283   5.588
  262    HA   HIS  33           HA       HIS  33  -2.213  11.127   4.616
  263    HB2  HIS  33           1HB      HIS  33  -3.115   8.708   3.023
  264    HB3  HIS  33           2HB      HIS  33  -2.978  10.368   2.455
  265    HD1  HIS  33           1HD      HIS  33  -0.155  11.260   2.790
  266    HD2  HIS  33           2HD      HIS  33  -1.167   7.216   2.264
  267    HE1  HIS  33           1HE      HIS  33   1.958  10.119   1.941
  268    H    ASP  34           H        ASP  34  -4.298   8.337   5.297
  269    HA   ASP  34           HA       ASP  34  -6.520   8.084   5.624
  270    HB2  ASP  34           1HB      ASP  34  -5.453   8.570   7.767
  271    HB3  ASP  34           2HB      ASP  34  -5.875  10.270   7.610
  272    HA   PRO  35           HA       PRO  35  -8.168  11.678   3.113
  273    HB2  PRO  35           1HB      PRO  35  -8.965  10.337   0.878
  274    HB3  PRO  35           2HB      PRO  35  -7.273  10.864   1.133
  275    HG2  PRO  35           1HG      PRO  35  -8.470   8.127   1.698
  276    HG3  PRO  35           2HG      PRO  35  -6.981   8.510   0.777
  277    HD2  PRO  35           1HD      PRO  35  -6.910   7.811   3.404
  278    HD3  PRO  35           2HD      PRO  35  -5.787   9.039   2.737
  279    H    GLN  36           H        GLN  36 -10.362  12.184   2.725
  280    HA   GLN  36           HA       GLN  36 -12.242  10.689   4.404
  281    HB2  GLN  36           1HB      GLN  36 -12.499  13.322   2.905
  282    HB3  GLN  36           2HB      GLN  36 -13.721  12.644   3.991
  283    HG2  GLN  36           1HG      GLN  36 -12.081  12.669   5.864
  284    HG3  GLN  36           2HG      GLN  36 -10.887  13.424   4.806
  285   HE21  GLN  36          1HE2      GLN  36 -11.271  14.864   6.978
  286   HE22  GLN  36          2HE2      GLN  36 -12.344  16.226   6.679
  287    H    ASP  37           H        ASP  37 -11.444  10.258   1.220
  288    HA   ASP  37           HA       ASP  37 -13.998   8.926   0.559
  289    HB2  ASP  37           1HB      ASP  37 -14.254  11.204  -0.346
  290    HB3  ASP  37           2HB      ASP  37 -12.731  11.050  -1.213
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  18.477 -13.573  -7.926
    2    H2   GLY   1           2H       GLY   1  19.333 -12.737  -6.807
    3    H3   GLY   1           3H       GLY   1  18.237 -11.963  -7.750
    4    HA2  GLY   1           1HA      GLY   1  17.604 -14.015  -5.730
    5    HA3  GLY   1           2HA      GLY   1  17.359 -12.271  -5.526
    6    H    SER   2           H        SER   2  15.334 -14.283  -5.321
    7    HA   SER   2           HA       SER   2  13.373 -13.286  -7.294
    8    HB2  SER   2           1HB      SER   2  12.597 -15.552  -7.849
    9    HB3  SER   2           2HB      SER   2  14.264 -15.287  -8.375
   10    HG   SER   2           HG       SER   2  14.001 -17.318  -7.337
   11    H    SER   3           H        SER   3  11.133 -14.025  -6.748
   12    HA   SER   3           HA       SER   3  10.637 -14.792  -3.944
   13    HB2  SER   3           1HB      SER   3  10.846 -12.271  -4.020
   14    HB3  SER   3           2HB      SER   3   9.424 -12.248  -5.081
   15    HG   SER   3           HG       SER   3   8.910 -11.986  -2.832
   16    H    GLY   4           H        GLY   4   8.372 -15.304  -3.542
   17    HA2  GLY   4           1HA      GLY   4   7.283 -16.960  -5.659
   18    HA3  GLY   4           2HA      GLY   4   6.623 -16.751  -4.042
   19    H    SER   5           H        SER   5   5.160 -16.956  -6.486
   20    HA   SER   5           HA       SER   5   4.240 -14.398  -7.412
   21    HB2  SER   5           1HB      SER   5   2.942 -17.124  -7.741
   22    HB3  SER   5           2HB      SER   5   2.665 -15.692  -8.745
   23    HG   SER   5           HG       SER   5   4.824 -15.812  -9.446
   24    H    SER   6           H        SER   6   3.492 -15.823  -4.476
   25    HA   SER   6           HA       SER   6   0.662 -15.483  -4.323
   26    HB2  SER   6           1HB      SER   6   2.689 -15.539  -2.059
   27    HB3  SER   6           2HB      SER   6   0.953 -15.883  -1.943
   28    HG   SER   6           HG       SER   6   2.202 -17.806  -2.091
   29    H    GLY   7           H        GLY   7   3.191 -13.099  -3.995
   30    HA2  GLY   7           1HA      GLY   7   1.723 -11.177  -2.369
   31    HA3  GLY   7           2HA      GLY   7   3.183 -10.873  -3.302
   32    H    ILE   8           H        ILE   8   1.077  -9.050  -3.107
   33    HA   ILE   8           HA       ILE   8   0.091  -8.892  -5.935
   34    HB   ILE   8           HB       ILE   8  -1.414  -7.890  -3.492
   35   HG12  ILE   8          1HG1      ILE   8  -2.046 -10.285  -5.272
   36   HG13  ILE   8          2HG1      ILE   8  -1.477 -10.371  -3.605
   37   HG21  ILE   8          1HG2      ILE   8  -1.691  -6.545  -5.602
   38   HG22  ILE   8          2HG2      ILE   8  -2.232  -8.017  -6.432
   39   HG23  ILE   8          3HG2      ILE   8  -3.180  -7.328  -5.097
   40   HD11  ILE   8          3HD1      ILE   8  -4.160  -9.289  -4.517
   41   HD12  ILE   8          1HD1      ILE   8  -3.826 -10.742  -3.568
   42   HD13  ILE   8          2HD1      ILE   8  -3.527  -9.144  -2.855
   43    H    LYS   9           H        LYS   9   1.581  -7.532  -6.771
   44    HA   LYS   9           HA       LYS   9   2.921  -5.480  -5.301
   45    HB2  LYS   9           1HB      LYS   9   3.867  -4.762  -7.393
   46    HB3  LYS   9           2HB      LYS   9   3.966  -6.507  -7.173
   47    HG2  LYS   9           1HG      LYS   9   2.012  -6.790  -8.734
   48    HG3  LYS   9           2HG      LYS   9   2.016  -5.032  -9.003
   49    HD2  LYS   9           1HD      LYS   9   4.349  -5.158  -9.807
   50    HD3  LYS   9           2HD      LYS   9   4.341  -6.916  -9.552
   51    HE2  LYS   9           1HE      LYS   9   2.455  -7.138 -11.164
   52    HE3  LYS   9           2HE      LYS   9   2.460  -5.388 -11.416
   53    HZ1  LYS   9           3HZ      LYS   9   3.703  -6.534 -13.157
   54    HZ2  LYS   9           1HZ      LYS   9   4.719  -7.205 -12.072
   55    HZ3  LYS   9           2HZ      LYS   9   4.723  -5.588 -12.305
   56    H    GLN  10           H        GLN  10   2.344  -3.583  -4.661
   57    HA   GLN  10           HA       GLN  10   0.247  -1.989  -6.065
   58    HB2  GLN  10           1HB      GLN  10   0.361  -2.802  -3.126
   59    HB3  GLN  10           2HB      GLN  10  -0.612  -1.459  -3.700
   60    HG2  GLN  10           1HG      GLN  10  -0.943  -4.336  -4.637
   61    HG3  GLN  10           2HG      GLN  10  -1.900  -3.554  -3.403
   62   HE21  GLN  10          1HE2      GLN  10  -3.306  -4.632  -5.458
   63   HE22  GLN  10          2HE2      GLN  10  -3.908  -3.345  -6.492
   64    H    HIS  11           H        HIS  11   0.237   0.308  -5.446
   65    HA   HIS  11           HA       HIS  11   2.557   1.224  -3.912
   66    HB2  HIS  11           1HB      HIS  11   3.366   2.806  -5.478
   67    HB3  HIS  11           2HB      HIS  11   3.323   1.244  -6.282
   68    HD1  HIS  11           1HD      HIS  11   1.459   4.635  -6.275
   69    HD2  HIS  11           2HD      HIS  11   1.760   1.037  -8.451
   70    HE1  HIS  11           1HE      HIS  11   0.217   5.017  -8.470
   71    H    CYS  12           H        CYS  12   2.427   3.249  -3.007
   72    HA   CYS  12           HA       CYS  12  -0.163   4.283  -2.301
   73    HB2  CYS  12           1HB      CYS  12   1.779   4.297  -0.843
   74    HB3  CYS  12           2HB      CYS  12   2.648   5.369  -1.962
   75    H    ARG  13           H        ARG  13  -1.145   6.120  -2.849
   76    HA   ARG  13           HA       ARG  13  -0.708   7.262  -5.560
   77    HB2  ARG  13           1HB      ARG  13  -2.956   6.573  -4.864
   78    HB3  ARG  13           2HB      ARG  13  -2.879   7.617  -3.441
   79    HG2  ARG  13           1HG      ARG  13  -2.852   9.624  -4.862
   80    HG3  ARG  13           2HG      ARG  13  -2.812   8.614  -6.322
   81    HD2  ARG  13           1HD      ARG  13  -5.031   7.656  -5.686
   82    HD3  ARG  13           2HD      ARG  13  -5.030   8.642  -4.227
   83    HE   ARG  13           HE       ARG  13  -5.545  10.548  -5.452
   84   HH11  ARG  13          2HH1      ARG  13  -4.890   7.986  -7.759
   85   HH12  ARG  13          1HH1      ARG  13  -5.521   8.912  -9.094
   86   HH21  ARG  13          2HH2      ARG  13  -6.331  11.662  -7.199
   87   HH22  ARG  13          1HH2      ARG  13  -6.312  10.934  -8.777
   88    H    PHE  14           H        PHE  14  -0.298   8.144  -2.193
   89    HA   PHE  14           HA       PHE  14  -0.078  11.025  -2.844
   90    HB2  PHE  14           1HB      PHE  14  -0.202   9.626  -0.172
   91    HB3  PHE  14           2HB      PHE  14  -0.439  11.337  -0.475
   92    HD1  PHE  14           2HD      PHE  14  -2.468  11.996  -2.010
   93    HD2  PHE  14           1HD      PHE  14  -2.022   8.108  -0.197
   94    HE1  PHE  14           2HE      PHE  14  -4.894  11.563  -2.331
   95    HE2  PHE  14           1HE      PHE  14  -4.444   7.679  -0.518
   96    HZ   PHE  14           HZ       PHE  14  -5.885   9.405  -1.588
   97    H    CYS  15           H        CYS  15   1.984   8.427  -1.601
   98    HA   CYS  15           HA       CYS  15   4.298  10.286  -1.785
   99    HB2  CYS  15           1HB      CYS  15   5.302   9.489   0.170
  100    HB3  CYS  15           2HB      CYS  15   3.689  10.077   0.550
  101    H    LYS  16           H        LYS  16   3.043   7.737  -3.213
  102    HA   LYS  16           HA       LYS  16   3.729   6.192  -4.716
  103    HB2  LYS  16           1HB      LYS  16   6.209   7.913  -4.948
  104    HB3  LYS  16           2HB      LYS  16   5.566   6.819  -6.164
  105    HG2  LYS  16           1HG      LYS  16   4.269   9.399  -5.202
  106    HG3  LYS  16           2HG      LYS  16   5.073   9.107  -6.743
  107    HD2  LYS  16           1HD      LYS  16   3.321   7.308  -7.207
  108    HD3  LYS  16           2HD      LYS  16   2.431   7.909  -5.802
  109    HE2  LYS  16           1HE      LYS  16   3.241   9.588  -8.220
  110    HE3  LYS  16           2HE      LYS  16   1.667   8.812  -8.029
  111    HZ1  LYS  16           3HZ      LYS  16   1.606  11.132  -7.330
  112    HZ2  LYS  16           1HZ      LYS  16   2.742  10.883  -6.188
  113    HZ3  LYS  16           2HZ      LYS  16   1.267  10.165  -6.064
  114    H    LYS  17           H        LYS  17   4.816   5.740  -1.863
  115    HA   LYS  17           HA       LYS  17   7.008   3.889  -2.081
  116    HB2  LYS  17           1HB      LYS  17   4.710   4.194  -0.105
  117    HB3  LYS  17           2HB      LYS  17   6.015   3.017   0.109
  118    HG2  LYS  17           1HG      LYS  17   7.678   4.837   0.129
  119    HG3  LYS  17           2HG      LYS  17   6.385   6.015  -0.172
  120    HD2  LYS  17           1HD      LYS  17   5.305   5.297   1.994
  121    HD3  LYS  17           2HD      LYS  17   6.696   4.250   2.291
  122    HE2  LYS  17           1HE      LYS  17   6.882   6.358   3.530
  123    HE3  LYS  17           2HE      LYS  17   8.197   6.195   2.363
  124    HZ1  LYS  17           3HZ      LYS  17   7.130   7.763   0.936
  125    HZ2  LYS  17           1HZ      LYS  17   7.061   8.436   2.425
  126    HZ3  LYS  17           2HZ      LYS  17   5.727   7.736   1.753
  127    H    LYS  18           H        LYS  18   6.983   1.641  -2.026
  128    HA   LYS  18           HA       LYS  18   4.707   0.368  -3.510
  129    HB2  LYS  18           1HB      LYS  18   7.645  -0.377  -3.452
  130    HB3  LYS  18           2HB      LYS  18   6.374  -1.314  -4.252
  131    HG2  LYS  18           1HG      LYS  18   5.788   0.677  -5.641
  132    HG3  LYS  18           2HG      LYS  18   7.144   1.562  -4.933
  133    HD2  LYS  18           1HD      LYS  18   7.364  -1.020  -6.543
  134    HD3  LYS  18           2HD      LYS  18   7.652   0.611  -7.166
  135    HE2  LYS  18           1HE      LYS  18   9.490   0.916  -5.507
  136    HE3  LYS  18           2HE      LYS  18   9.236  -0.737  -4.931
  137    HZ1  LYS  18           3HZ      LYS  18  11.028  -0.639  -6.563
  138    HZ2  LYS  18           1HZ      LYS  18  10.043  -0.005  -7.697
  139    HZ3  LYS  18           2HZ      LYS  18   9.803  -1.532  -7.165
  140    H    TYR  19           H        TYR  19   3.813  -1.505  -2.944
  141    HA   TYR  19           HA       TYR  19   4.454  -2.692  -0.287
  142    HB2  TYR  19           1HB      TYR  19   1.784  -1.591  -1.229
  143    HB3  TYR  19           2HB      TYR  19   1.949  -2.690   0.137
  144    HD1  TYR  19           2HD      TYR  19   3.329  -2.065   2.130
  145    HD2  TYR  19           1HD      TYR  19   2.412   0.773  -0.993
  146    HE1  TYR  19           2HE      TYR  19   4.141  -0.207   3.575
  147    HE2  TYR  19           1HE      TYR  19   3.229   2.626   0.460
  148    HH   TYR  19           HH       TYR  19   4.139   3.192   2.492
  149    H    SER  20           H        SER  20   3.701  -4.743   0.138
  150    HA   SER  20           HA       SER  20   3.798  -6.548  -2.156
  151    HB2  SER  20           1HB      SER  20   4.123  -8.234  -0.322
  152    HB3  SER  20           2HB      SER  20   5.290  -6.901  -0.307
  153    HG   SER  20           HG       SER  20   4.477  -7.296   1.782
  154    H    ASP  21           H        ASP  21   1.237  -5.244  -0.365
  155    HA   ASP  21           HA       ASP  21  -0.691  -7.083  -1.534
  156    HB2  ASP  21           1HB      ASP  21   0.067  -8.072   0.749
  157    HB3  ASP  21           2HB      ASP  21  -0.761  -6.706   1.486
  158    H    VAL  22           H        VAL  22  -2.824  -6.117  -1.554
  159    HA   VAL  22           HA       VAL  22  -2.959  -3.211  -1.469
  160    HB   VAL  22           HB       VAL  22  -4.310  -4.684  -2.969
  161   HG11  VAL  22          1HG1      VAL  22  -6.383  -5.678  -2.208
  162   HG12  VAL  22          2HG1      VAL  22  -5.034  -6.408  -1.329
  163   HG13  VAL  22          3HG1      VAL  22  -6.066  -5.198  -0.533
  164   HG21  VAL  22          3HG2      VAL  22  -6.304  -3.284  -2.900
  165   HG22  VAL  22          1HG2      VAL  22  -5.913  -2.753  -1.253
  166   HG23  VAL  22          2HG2      VAL  22  -4.854  -2.310  -2.609
  167    H    LYS  23           H        LYS  23  -3.648  -5.799   0.798
  168    HA   LYS  23           HA       LYS  23  -4.958  -4.278   2.873
  169    HB2  LYS  23           1HB      LYS  23  -3.128  -6.694   3.062
  170    HB3  LYS  23           2HB      LYS  23  -4.194  -6.112   4.349
  171    HG2  LYS  23           1HG      LYS  23  -6.186  -6.605   3.034
  172    HG3  LYS  23           2HG      LYS  23  -5.227  -6.973   1.608
  173    HD2  LYS  23           1HD      LYS  23  -4.076  -8.756   3.274
  174    HD3  LYS  23           2HD      LYS  23  -5.627  -8.584   4.103
  175    HE2  LYS  23           1HE      LYS  23  -5.863 -10.426   2.595
  176    HE3  LYS  23           2HE      LYS  23  -6.753  -9.083   1.866
  177    HZ1  LYS  23           3HZ      LYS  23  -3.985  -9.929   1.121
  178    HZ2  LYS  23           1HZ      LYS  23  -4.708  -8.664   0.490
  179    HZ3  LYS  23           2HZ      LYS  23  -5.335 -10.167   0.208
  180    H    ASN  24           H        ASN  24  -1.515  -4.877   2.179
  181    HA   ASN  24           HA       ASN  24  -0.523  -3.410   4.488
  182    HB2  ASN  24           1HB      ASN  24   0.832  -4.437   1.959
  183    HB3  ASN  24           2HB      ASN  24   1.679  -3.666   3.297
  184   HD21  ASN  24          1HD2      ASN  24   2.339  -6.311   2.490
  185   HD22  ASN  24          2HD2      ASN  24   1.843  -7.359   3.805
  186    H    LEU  25           H        LEU  25  -1.063  -2.562   1.053
  187    HA   LEU  25           HA       LEU  25  -0.200   0.153   1.247
  188    HB2  LEU  25           1HB      LEU  25  -0.585  -0.862  -0.902
  189    HB3  LEU  25           2HB      LEU  25  -2.256  -1.249  -0.496
  190    HG   LEU  25           HG       LEU  25  -2.869   1.118  -0.474
  191   HD11  LEU  25          1HD1      LEU  25  -0.695   2.140   0.201
  192   HD12  LEU  25          2HD1      LEU  25  -1.288   2.822  -1.306
  193   HD13  LEU  25          3HD1      LEU  25   0.022   1.624  -1.337
  194   HD21  LEU  25          3HD2      LEU  25  -2.736   1.562  -2.825
  195   HD22  LEU  25          1HD2      LEU  25  -2.950  -0.185  -2.603
  196   HD23  LEU  25          2HD2      LEU  25  -1.348   0.485  -3.014
  197    H    ILE  26           H        ILE  26  -3.505  -1.241   1.841
  198    HA   ILE  26           HA       ILE  26  -4.651   1.300   2.480
  199    HB   ILE  26           HB       ILE  26  -5.528  -1.544   3.005
  200   HG12  ILE  26          1HG1      ILE  26  -6.674   0.651   1.204
  201   HG13  ILE  26          2HG1      ILE  26  -5.437  -0.464   0.651
  202   HG21  ILE  26          1HG2      ILE  26  -6.529  -0.206   4.819
  203   HG22  ILE  26          2HG2      ILE  26  -7.052   1.028   3.652
  204   HG23  ILE  26          3HG2      ILE  26  -7.765  -0.600   3.636
  205   HD11  ILE  26          3HD1      ILE  26  -8.242  -1.234   1.529
  206   HD12  ILE  26          1HD1      ILE  26  -7.560  -1.258  -0.106
  207   HD13  ILE  26          2HD1      ILE  26  -6.945  -2.387   1.119
  208    H    LYS  27           H        LYS  27  -3.158  -1.150   4.635
  209    HA   LYS  27           HA       LYS  27  -3.593   0.291   7.093
  210    HB2  LYS  27           1HB      LYS  27  -1.473  -1.699   6.212
  211    HB3  LYS  27           2HB      LYS  27  -1.520  -1.024   7.844
  212    HG2  LYS  27           1HG      LYS  27  -3.772  -1.892   8.227
  213    HG3  LYS  27           2HG      LYS  27  -3.842  -2.560   6.598
  214    HD2  LYS  27           1HD      LYS  27  -1.877  -3.400   8.781
  215    HD3  LYS  27           2HD      LYS  27  -3.337  -4.283   8.299
  216    HE2  LYS  27           1HE      LYS  27  -2.420  -4.514   5.989
  217    HE3  LYS  27           2HE      LYS  27  -0.945  -3.687   6.506
  218    HZ1  LYS  27           3HZ      LYS  27  -0.623  -6.045   6.531
  219    HZ2  LYS  27           1HZ      LYS  27  -1.887  -6.297   7.549
  220    HZ3  LYS  27           2HZ      LYS  27  -0.552  -5.510   8.077
  221    H    HIS  28           H        HIS  28  -1.061   0.677   4.605
  222    HA   HIS  28           HA       HIS  28   0.382   2.731   6.063
  223    HB2  HIS  28           1HB      HIS  28   1.567   1.661   4.332
  224    HB3  HIS  28           2HB      HIS  28   0.282   1.879   3.158
  225    HD1  HIS  28           1HD      HIS  28   2.694   4.187   5.140
  226    HD2  HIS  28           2HD      HIS  28   0.472   3.930   1.580
  227    HE1  HIS  28           1HE      HIS  28   3.263   6.277   3.825
  228    H    ILE  29           H        ILE  29  -2.115   2.950   3.452
  229    HA   ILE  29           HA       ILE  29  -2.281   5.749   3.350
  230    HB   ILE  29           HB       ILE  29  -4.373   3.622   2.801
  231   HG12  ILE  29          1HG1      ILE  29  -2.799   5.416   0.889
  232   HG13  ILE  29          2HG1      ILE  29  -2.270   3.807   1.351
  233   HG21  ILE  29          1HG2      ILE  29  -4.566   6.613   2.209
  234   HG22  ILE  29          2HG2      ILE  29  -5.691   5.377   1.609
  235   HG23  ILE  29          3HG2      ILE  29  -5.610   5.691   3.322
  236   HD11  ILE  29          3HD1      ILE  29  -4.815   4.475  -0.183
  237   HD12  ILE  29          1HD1      ILE  29  -3.380   3.654  -0.782
  238   HD13  ILE  29          2HD1      ILE  29  -4.404   2.855   0.431
  239    H    ARG  30           H        ARG  30  -4.305   3.602   5.421
  240    HA   ARG  30           HA       ARG  30  -5.733   5.803   6.603
  241    HB2  ARG  30           1HB      ARG  30  -6.777   4.181   7.972
  242    HB3  ARG  30           2HB      ARG  30  -6.492   3.408   6.408
  243    HG2  ARG  30           1HG      ARG  30  -4.389   2.382   7.435
  244    HG3  ARG  30           2HG      ARG  30  -4.954   2.956   9.001
  245    HD2  ARG  30           1HD      ARG  30  -6.481   1.095   7.136
  246    HD3  ARG  30           2HD      ARG  30  -5.555   0.587   8.560
  247    HE   ARG  30           HE       ARG  30  -7.347   2.483   9.532
  248   HH11  ARG  30          2HH1      ARG  30  -7.709  -0.627   7.957
  249   HH12  ARG  30          1HH1      ARG  30  -9.253  -0.926   8.710
  250   HH21  ARG  30          2HH2      ARG  30  -9.319   2.040  10.447
  251   HH22  ARG  30          1HH2      ARG  30 -10.130   0.544  10.085
  252    H    ASP  31           H        ASP  31  -2.567   4.768   7.297
  253    HA   ASP  31           HA       ASP  31  -2.562   6.043   9.988
  254    HB2  ASP  31           1HB      ASP  31  -1.501   3.828   9.672
  255    HB3  ASP  31           2HB      ASP  31  -0.397   4.522   8.487
  256    H    ALA  32           H        ALA  32  -1.025   6.352   6.773
  257    HA   ALA  32           HA       ALA  32   0.489   8.718   7.625
  258    HB1  ALA  32           1HB      ALA  32   0.486   7.124   5.035
  259    HB2  ALA  32           2HB      ALA  32   1.678   8.349   5.515
  260    HB3  ALA  32           3HB      ALA  32   1.544   6.838   6.437
  261    H    HIS  33           H        HIS  33  -2.359   8.162   5.606
  262    HA   HIS  33           HA       HIS  33  -2.254  11.012   4.654
  263    HB2  HIS  33           1HB      HIS  33  -3.078   8.593   3.018
  264    HB3  HIS  33           2HB      HIS  33  -2.945  10.257   2.462
  265    HD1  HIS  33           1HD      HIS  33  -0.132  11.172   2.969
  266    HD2  HIS  33           2HD      HIS  33  -1.101   7.151   2.245
  267    HE1  HIS  33           1HE      HIS  33   2.014  10.080   2.144
  268    H    ASP  34           H        ASP  34  -4.382   8.221   5.228
  269    HA   ASP  34           HA       ASP  34  -6.627   7.978   5.391
  270    HB2  ASP  34           1HB      ASP  34  -5.765   8.438   7.611
  271    HB3  ASP  34           2HB      ASP  34  -6.106  10.151   7.422
  272    HA   PRO  35           HA       PRO  35  -7.949  11.555   2.682
  273    HB2  PRO  35           1HB      PRO  35  -8.539  10.201   0.392
  274    HB3  PRO  35           2HB      PRO  35  -6.859  10.620   0.848
  275    HG2  PRO  35           1HG      PRO  35  -8.315   7.994   1.350
  276    HG3  PRO  35           2HG      PRO  35  -6.719   8.231   0.568
  277    HD2  PRO  35           1HD      PRO  35  -6.931   7.637   3.206
  278    HD3  PRO  35           2HD      PRO  35  -5.689   8.788   2.619
  279    H    GLN  36           H        GLN  36 -10.056  11.955   1.630
  280    HA   GLN  36           HA       GLN  36 -12.282  10.881   3.176
  281    HB2  GLN  36           1HB      GLN  36 -11.910  13.309   2.607
  282    HB3  GLN  36           2HB      GLN  36 -12.334  12.931   0.935
  283    HG2  GLN  36           1HG      GLN  36 -14.580  12.094   1.774
  284    HG3  GLN  36           2HG      GLN  36 -14.101  12.561   3.407
  285   HE21  GLN  36          1HE2      GLN  36 -14.737  13.868   0.106
  286   HE22  GLN  36          2HE2      GLN  36 -15.135  15.483   0.680
  287    H    ASP  37           H        ASP  37 -11.674   8.693   2.226
  288    HA   ASP  37           HA       ASP  37 -12.569   7.943  -0.429
  289    HB2  ASP  37           1HB      ASP  37 -10.811   6.738   0.773
  290    HB3  ASP  37           2HB      ASP  37 -11.944   6.290   2.042
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  12.521 -17.347  -1.724
    2    H2   GLY   1           2H       GLY   1  13.166 -17.729  -3.181
    3    H3   GLY   1           3H       GLY   1  11.630 -17.164  -3.085
    4    HA2  GLY   1           1HA      GLY   1  14.055 -15.627  -2.412
    5    HA3  GLY   1           2HA      GLY   1  13.109 -15.442  -3.901
    6    H    SER   2           H        SER   2  13.724 -13.589  -1.556
    7    HA   SER   2           HA       SER   2  11.242 -13.174  -0.132
    8    HB2  SER   2           1HB      SER   2  13.663 -11.354  -0.361
    9    HB3  SER   2           2HB      SER   2  12.409 -11.295   0.888
   10    HG   SER   2           HG       SER   2  13.082 -13.337   1.615
   11    H    SER   3           H        SER   3  12.305 -11.994  -3.217
   12    HA   SER   3           HA       SER   3  11.049  -9.437  -3.237
   13    HB2  SER   3           1HB      SER   3  11.681 -11.263  -5.585
   14    HB3  SER   3           2HB      SER   3  11.366  -9.519  -5.660
   15    HG   SER   3           HG       SER   3  13.618  -9.995  -5.625
   16    H    GLY   4           H        GLY   4   9.114  -8.683  -4.062
   17    HA2  GLY   4           1HA      GLY   4   6.791 -10.335  -3.772
   18    HA3  GLY   4           2HA      GLY   4   6.834  -8.668  -4.342
   19    H    SER   5           H        SER   5   8.797 -10.172  -6.496
   20    HA   SER   5           HA       SER   5   7.025 -10.017  -8.685
   21    HB2  SER   5           1HB      SER   5   9.648 -11.537  -8.499
   22    HB3  SER   5           2HB      SER   5   8.876 -10.924  -9.975
   23    HG   SER   5           HG       SER   5  10.554  -9.549  -9.129
   24    H    SER   6           H        SER   6   7.227 -12.621  -6.459
   25    HA   SER   6           HA       SER   6   6.257 -14.726  -8.240
   26    HB2  SER   6           1HB      SER   6   5.921 -15.958  -6.122
   27    HB3  SER   6           2HB      SER   6   7.558 -15.297  -6.278
   28    HG   SER   6           HG       SER   6   6.658 -14.913  -4.193
   29    H    GLY   7           H        GLY   7   4.760 -11.970  -6.898
   30    HA2  GLY   7           1HA      GLY   7   2.042 -12.990  -7.526
   31    HA3  GLY   7           2HA      GLY   7   2.353 -12.411  -5.891
   32    H    ILE   8           H        ILE   8   0.800 -10.770  -6.160
   33    HA   ILE   8           HA       ILE   8   0.989  -8.776  -8.260
   34    HB   ILE   8           HB       ILE   8  -0.837  -7.708  -7.388
   35   HG12  ILE   8          1HG1      ILE   8  -0.419  -7.604  -5.020
   36   HG13  ILE   8          2HG1      ILE   8  -2.012  -8.203  -5.414
   37   HG21  ILE   8          1HG2      ILE   8  -1.312 -10.702  -7.156
   38   HG22  ILE   8          2HG2      ILE   8  -2.526  -9.449  -7.466
   39   HG23  ILE   8          3HG2      ILE   8  -1.248  -9.753  -8.652
   40   HD11  ILE   8          3HD1      ILE   8  -1.127  -9.394  -3.487
   41   HD12  ILE   8          1HD1      ILE   8  -1.290 -10.529  -4.835
   42   HD13  ILE   8          2HD1      ILE   8   0.312  -9.885  -4.388
   43    H    LYS   9           H        LYS   9   1.272  -6.526  -8.007
   44    HA   LYS   9           HA       LYS   9   2.756  -5.563  -5.606
   45    HB2  LYS   9           1HB      LYS   9   3.550  -5.031  -8.499
   46    HB3  LYS   9           2HB      LYS   9   4.217  -4.202  -7.086
   47    HG2  LYS   9           1HG      LYS   9   5.064  -6.363  -6.201
   48    HG3  LYS   9           2HG      LYS   9   4.426  -7.196  -7.633
   49    HD2  LYS   9           1HD      LYS   9   5.880  -5.787  -9.087
   50    HD3  LYS   9           2HD      LYS   9   6.574  -5.028  -7.634
   51    HE2  LYS   9           1HE      LYS   9   7.352  -7.235  -6.837
   52    HE3  LYS   9           2HE      LYS   9   6.582  -8.021  -8.220
   53    HZ1  LYS   9           3HZ      LYS   9   8.861  -6.121  -8.373
   54    HZ2  LYS   9           1HZ      LYS   9   8.110  -6.768  -9.675
   55    HZ3  LYS   9           2HZ      LYS   9   8.923  -7.738  -8.645
   56    H    GLN  10           H        GLN  10   2.317  -3.553  -4.972
   57    HA   GLN  10           HA       GLN  10   0.314  -1.887  -6.437
   58    HB2  GLN  10           1HB      GLN  10   0.323  -2.620  -3.475
   59    HB3  GLN  10           2HB      GLN  10  -0.744  -1.440  -4.223
   60    HG2  GLN  10           1HG      GLN  10  -0.719  -4.420  -4.868
   61    HG3  GLN  10           2HG      GLN  10  -1.835  -3.620  -3.781
   62   HE21  GLN  10          1HE2      GLN  10  -2.967  -5.056  -5.803
   63   HE22  GLN  10          2HE2      GLN  10  -3.625  -3.955  -7.003
   64    H    HIS  11           H        HIS  11   0.317   0.400  -5.739
   65    HA   HIS  11           HA       HIS  11   2.583   1.210  -4.063
   66    HB2  HIS  11           1HB      HIS  11   3.441   2.882  -5.492
   67    HB3  HIS  11           2HB      HIS  11   3.410   1.384  -6.407
   68    HD1  HIS  11           1HD      HIS  11   1.532   4.772  -6.200
   69    HD2  HIS  11           2HD      HIS  11   1.941   1.358  -8.640
   70    HE1  HIS  11           1HE      HIS  11   0.373   5.321  -8.401
   71    H    CYS  12           H        CYS  12   2.426   3.183  -3.037
   72    HA   CYS  12           HA       CYS  12  -0.188   4.117  -2.321
   73    HB2  CYS  12           1HB      CYS  12   1.737   4.103  -0.823
   74    HB3  CYS  12           2HB      CYS  12   2.580   5.273  -1.851
   75    H    ARG  13           H        ARG  13  -1.239   5.911  -2.750
   76    HA   ARG  13           HA       ARG  13  -0.955   7.155  -5.412
   77    HB2  ARG  13           1HB      ARG  13  -3.146   6.423  -4.682
   78    HB3  ARG  13           2HB      ARG  13  -2.988   7.259  -3.145
   79    HG2  ARG  13           1HG      ARG  13  -4.544   8.426  -4.547
   80    HG3  ARG  13           2HG      ARG  13  -3.150   9.443  -4.254
   81    HD2  ARG  13           1HD      ARG  13  -2.245   8.705  -6.543
   82    HD3  ARG  13           2HD      ARG  13  -3.771   7.863  -6.790
   83    HE   ARG  13           HE       ARG  13  -4.838   9.888  -7.178
   84   HH11  ARG  13          2HH1      ARG  13  -1.677  10.667  -5.817
   85   HH12  ARG  13          1HH1      ARG  13  -1.839  12.352  -6.240
   86   HH21  ARG  13          2HH2      ARG  13  -4.957  12.048  -7.642
   87   HH22  ARG  13          1HH2      ARG  13  -3.646  13.109  -7.222
   88    H    PHE  14           H        PHE  14  -0.234   7.967  -2.124
   89    HA   PHE  14           HA       PHE  14  -0.047  10.878  -2.743
   90    HB2  PHE  14           1HB      PHE  14  -0.174   9.462  -0.084
   91    HB3  PHE  14           2HB      PHE  14  -0.373  11.182  -0.369
   92    HD1  PHE  14           2HD      PHE  14  -2.422  11.943  -1.777
   93    HD2  PHE  14           1HD      PHE  14  -2.012   7.952  -0.192
   94    HE1  PHE  14           2HE      PHE  14  -4.852  11.548  -2.123
   95    HE2  PHE  14           1HE      PHE  14  -4.438   7.565  -0.531
   96    HZ   PHE  14           HZ       PHE  14  -5.858   9.355  -1.515
   97    H    CYS  15           H        CYS  15   1.989   8.239  -1.546
   98    HA   CYS  15           HA       CYS  15   4.328  10.080  -1.689
   99    HB2  CYS  15           1HB      CYS  15   5.333   9.149   0.241
  100    HB3  CYS  15           2HB      CYS  15   3.741   9.784   0.645
  101    H    LYS  16           H        LYS  16   3.025   7.500  -3.139
  102    HA   LYS  16           HA       LYS  16   3.694   5.883  -4.561
  103    HB2  LYS  16           1HB      LYS  16   6.072   7.715  -4.953
  104    HB3  LYS  16           2HB      LYS  16   5.560   6.424  -6.046
  105    HG2  LYS  16           1HG      LYS  16   3.360   7.550  -6.363
  106    HG3  LYS  16           2HG      LYS  16   3.883   8.860  -5.299
  107    HD2  LYS  16           1HD      LYS  16   4.132   9.595  -7.559
  108    HD3  LYS  16           2HD      LYS  16   5.746   9.386  -6.864
  109    HE2  LYS  16           1HE      LYS  16   5.956   7.192  -8.014
  110    HE3  LYS  16           2HE      LYS  16   4.318   7.364  -8.658
  111    HZ1  LYS  16           3HZ      LYS  16   5.990   8.042 -10.285
  112    HZ2  LYS  16           1HZ      LYS  16   6.594   9.176  -9.280
  113    HZ3  LYS  16           2HZ      LYS  16   5.081   9.332  -9.880
  114    H    LYS  17           H        LYS  17   4.761   5.545  -1.710
  115    HA   LYS  17           HA       LYS  17   6.941   3.681  -1.831
  116    HB2  LYS  17           1HB      LYS  17   4.535   3.952   0.022
  117    HB3  LYS  17           2HB      LYS  17   5.792   2.728   0.260
  118    HG2  LYS  17           1HG      LYS  17   7.506   4.497   0.412
  119    HG3  LYS  17           2HG      LYS  17   6.250   5.726   0.170
  120    HD2  LYS  17           1HD      LYS  17   5.081   4.773   2.231
  121    HD3  LYS  17           2HD      LYS  17   6.523   3.797   2.522
  122    HE2  LYS  17           1HE      LYS  17   6.424   6.849   2.332
  123    HE3  LYS  17           2HE      LYS  17   6.426   5.934   3.843
  124    HZ1  LYS  17           3HZ      LYS  17   8.623   5.057   3.237
  125    HZ2  LYS  17           1HZ      LYS  17   8.653   6.687   3.305
  126    HZ3  LYS  17           2HZ      LYS  17   8.636   5.940   1.858
  127    H    LYS  18           H        LYS  18   6.960   1.475  -1.961
  128    HA   LYS  18           HA       LYS  18   4.757   0.276  -3.611
  129    HB2  LYS  18           1HB      LYS  18   7.726  -0.350  -3.598
  130    HB3  LYS  18           2HB      LYS  18   6.501  -1.229  -4.525
  131    HG2  LYS  18           1HG      LYS  18   5.878   0.867  -5.710
  132    HG3  LYS  18           2HG      LYS  18   7.140   1.741  -4.822
  133    HD2  LYS  18           1HD      LYS  18   8.866   0.247  -5.797
  134    HD3  LYS  18           2HD      LYS  18   7.603  -0.610  -6.708
  135    HE2  LYS  18           1HE      LYS  18   6.991   1.509  -7.851
  136    HE3  LYS  18           2HE      LYS  18   8.232   2.371  -6.933
  137    HZ1  LYS  18           3HZ      LYS  18   9.911   0.964  -8.006
  138    HZ2  LYS  18           1HZ      LYS  18   9.037   1.750  -9.137
  139    HZ3  LYS  18           2HZ      LYS  18   8.765   0.166  -8.857
  140    H    TYR  19           H        TYR  19   3.876  -1.628  -3.223
  141    HA   TYR  19           HA       TYR  19   4.563  -3.100  -0.712
  142    HB2  TYR  19           1HB      TYR  19   1.851  -2.052  -1.618
  143    HB3  TYR  19           2HB      TYR  19   2.076  -3.218  -0.323
  144    HD1  TYR  19           1HD      TYR  19   2.682   0.316  -1.335
  145    HD2  TYR  19           2HD      TYR  19   2.871  -2.584   1.856
  146    HE1  TYR  19           1HE      TYR  19   3.226   2.130   0.290
  147    HE2  TYR  19           2HE      TYR  19   3.393  -0.769   3.476
  148    HH   TYR  19           HH       TYR  19   3.882   1.457   3.740
  149    H    SER  20           H        SER  20   4.175  -5.287  -0.687
  150    HA   SER  20           HA       SER  20   3.496  -6.657  -3.220
  151    HB2  SER  20           1HB      SER  20   4.207  -8.682  -1.968
  152    HB3  SER  20           2HB      SER  20   5.454  -7.428  -2.059
  153    HG   SER  20           HG       SER  20   5.235  -8.306   0.068
  154    H    ASP  21           H        ASP  21   1.692  -5.402  -0.748
  155    HA   ASP  21           HA       ASP  21  -0.579  -7.246  -1.184
  156    HB2  ASP  21           1HB      ASP  21   0.503  -8.210   0.756
  157    HB3  ASP  21           2HB      ASP  21   0.703  -6.623   1.500
  158    H    VAL  22           H        VAL  22  -2.497  -6.222  -1.239
  159    HA   VAL  22           HA       VAL  22  -2.547  -3.333  -1.256
  160    HB   VAL  22           HB       VAL  22  -3.841  -4.880  -2.748
  161   HG11  VAL  22          1HG1      VAL  22  -5.848  -5.042  -0.469
  162   HG12  VAL  22          2HG1      VAL  22  -6.018  -5.686  -2.109
  163   HG13  VAL  22          3HG1      VAL  22  -4.814  -6.385  -1.016
  164   HG21  VAL  22          3HG2      VAL  22  -5.428  -2.691  -1.354
  165   HG22  VAL  22          1HG2      VAL  22  -4.248  -2.455  -2.659
  166   HG23  VAL  22          2HG2      VAL  22  -5.742  -3.355  -2.970
  167    H    LYS  23           H        LYS  23  -3.519  -5.739   1.153
  168    HA   LYS  23           HA       LYS  23  -4.954  -3.811   2.818
  169    HB2  LYS  23           1HB      LYS  23  -3.810  -6.518   3.607
  170    HB3  LYS  23           2HB      LYS  23  -4.939  -5.559   4.541
  171    HG2  LYS  23           1HG      LYS  23  -5.454  -6.858   1.832
  172    HG3  LYS  23           2HG      LYS  23  -6.075  -7.390   3.381
  173    HD2  LYS  23           1HD      LYS  23  -6.803  -4.815   1.921
  174    HD3  LYS  23           2HD      LYS  23  -7.806  -6.243   2.070
  175    HE2  LYS  23           1HE      LYS  23  -6.906  -4.497   4.411
  176    HE3  LYS  23           2HE      LYS  23  -8.457  -4.361   3.585
  177    HZ1  LYS  23           3HZ      LYS  23  -8.670  -5.714   5.573
  178    HZ2  LYS  23           1HZ      LYS  23  -7.542  -6.773   5.062
  179    HZ3  LYS  23           2HZ      LYS  23  -8.965  -6.643   4.268
  180    H    ASN  24           H        ASN  24  -1.584  -5.038   2.892
  181    HA   ASN  24           HA       ASN  24  -0.682  -3.421   5.042
  182    HB2  ASN  24           1HB      ASN  24   0.553  -5.280   3.800
  183    HB3  ASN  24           2HB      ASN  24   0.880  -4.123   2.516
  184   HD21  ASN  24          1HD2      ASN  24   3.100  -5.088   3.343
  185   HD22  ASN  24          2HD2      ASN  24   3.899  -4.083   4.542
  186    H    LEU  25           H        LEU  25  -0.885  -2.595   1.534
  187    HA   LEU  25           HA       LEU  25  -0.016   0.100   1.751
  188    HB2  LEU  25           1HB      LEU  25  -0.117  -0.962  -0.382
  189    HB3  LEU  25           2HB      LEU  25  -1.818  -1.364  -0.198
  190    HG   LEU  25           HG       LEU  25  -2.467   0.985  -0.376
  191   HD11  LEU  25          1HD1      LEU  25   0.477   1.578  -0.956
  192   HD12  LEU  25          2HD1      LEU  25  -0.337   2.015   0.556
  193   HD13  LEU  25          3HD1      LEU  25  -0.883   2.721  -0.954
  194   HD21  LEU  25          3HD2      LEU  25  -2.261  -0.395  -2.413
  195   HD22  LEU  25          1HD2      LEU  25  -0.577   0.159  -2.603
  196   HD23  LEU  25          2HD2      LEU  25  -1.920   1.315  -2.726
  197    H    ILE  26           H        ILE  26  -3.399  -1.187   1.962
  198    HA   ILE  26           HA       ILE  26  -4.589   1.375   2.408
  199    HB   ILE  26           HB       ILE  26  -5.491  -1.454   2.963
  200   HG12  ILE  26          1HG1      ILE  26  -6.545   0.651   1.012
  201   HG13  ILE  26          2HG1      ILE  26  -5.219  -0.419   0.590
  202   HG21  ILE  26          1HG2      ILE  26  -6.653  -0.085   4.649
  203   HG22  ILE  26          2HG2      ILE  26  -7.098   1.107   3.408
  204   HG23  ILE  26          3HG2      ILE  26  -7.781  -0.531   3.381
  205   HD11  ILE  26          3HD1      ILE  26  -6.660  -2.397   0.970
  206   HD12  ILE  26          1HD1      ILE  26  -8.041  -1.310   1.274
  207   HD13  ILE  26          2HD1      ILE  26  -7.246  -1.317  -0.310
  208    H    LYS  27           H        LYS  27  -3.297  -1.009   4.745
  209    HA   LYS  27           HA       LYS  27  -3.969   0.448   7.121
  210    HB2  LYS  27           1HB      LYS  27  -3.318  -1.956   6.984
  211    HB3  LYS  27           2HB      LYS  27  -1.654  -1.480   6.620
  212    HG2  LYS  27           1HG      LYS  27  -1.505  -0.327   8.818
  213    HG3  LYS  27           2HG      LYS  27  -3.176  -0.782   9.178
  214    HD2  LYS  27           1HD      LYS  27  -0.869  -2.727   8.704
  215    HD3  LYS  27           2HD      LYS  27  -1.467  -2.213  10.288
  216    HE2  LYS  27           1HE      LYS  27  -3.716  -3.153   9.733
  217    HE3  LYS  27           2HE      LYS  27  -3.078  -3.735   8.189
  218    HZ1  LYS  27           3HZ      LYS  27  -2.095  -4.577  10.866
  219    HZ2  LYS  27           1HZ      LYS  27  -1.499  -5.113   9.442
  220    HZ3  LYS  27           2HZ      LYS  27  -3.028  -5.478   9.877
  221    H    HIS  28           H        HIS  28  -1.215   0.776   4.897
  222    HA   HIS  28           HA       HIS  28   0.135   2.832   6.444
  223    HB2  HIS  28           1HB      HIS  28   1.477   1.744   4.877
  224    HB3  HIS  28           2HB      HIS  28   0.282   1.819   3.602
  225    HD1  HIS  28           1HD      HIS  28   2.604   4.310   5.458
  226    HD2  HIS  28           2HD      HIS  28   0.436   3.769   1.899
  227    HE1  HIS  28           1HE      HIS  28   3.200   6.281   3.981
  228    H    ILE  29           H        ILE  29  -2.162   3.024   3.648
  229    HA   ILE  29           HA       ILE  29  -2.251   5.839   3.488
  230    HB   ILE  29           HB       ILE  29  -4.329   3.743   2.783
  231   HG12  ILE  29          1HG1      ILE  29  -2.572   5.468   0.972
  232   HG13  ILE  29          2HG1      ILE  29  -2.087   3.875   1.530
  233   HG21  ILE  29          1HG2      ILE  29  -4.404   6.730   2.133
  234   HG22  ILE  29          2HG2      ILE  29  -5.494   5.507   1.450
  235   HG23  ILE  29          3HG2      ILE  29  -5.560   5.848   3.162
  236   HD11  ILE  29          3HD1      ILE  29  -3.007   3.663  -0.687
  237   HD12  ILE  29          1HD1      ILE  29  -4.115   2.882   0.459
  238   HD13  ILE  29          2HD1      ILE  29  -4.498   4.481  -0.226
  239    H    ARG  30           H        ARG  30  -4.424   3.729   5.434
  240    HA   ARG  30           HA       ARG  30  -5.880   5.934   6.551
  241    HB2  ARG  30           1HB      ARG  30  -6.913   4.376   8.024
  242    HB3  ARG  30           2HB      ARG  30  -6.794   3.689   6.413
  243    HG2  ARG  30           1HG      ARG  30  -5.699   1.936   7.124
  244    HG3  ARG  30           2HG      ARG  30  -4.447   2.894   7.901
  245    HD2  ARG  30           1HD      ARG  30  -7.121   2.138   9.143
  246    HD3  ARG  30           2HD      ARG  30  -5.599   1.313   9.455
  247    HE   ARG  30           HE       ARG  30  -6.484   3.869  10.560
  248   HH11  ARG  30          2HH1      ARG  30  -3.518   2.047   9.899
  249   HH12  ARG  30          1HH1      ARG  30  -2.645   3.033  11.064
  250   HH21  ARG  30          1HH2      ARG  30  -5.155   5.028  11.974
  251   HH22  ARG  30          2HH2      ARG  30  -3.461   4.559  12.088
  252    H    ASP  31           H        ASP  31  -2.711   4.995   7.308
  253    HA   ASP  31           HA       ASP  31  -2.803   6.249  10.009
  254    HB2  ASP  31           1HB      ASP  31  -1.602   3.958   9.281
  255    HB3  ASP  31           2HB      ASP  31  -0.301   5.045   8.850
  256    H    ALA  32           H        ALA  32  -1.206   6.578   6.836
  257    HA   ALA  32           HA       ALA  32   0.307   8.940   7.749
  258    HB1  ALA  32           1HB      ALA  32   1.633   8.492   5.736
  259    HB2  ALA  32           2HB      ALA  32   1.435   7.015   6.702
  260    HB3  ALA  32           3HB      ALA  32   0.472   7.249   5.224
  261    H    HIS  33           H        HIS  33  -2.420   8.315   5.598
  262    HA   HIS  33           HA       HIS  33  -2.211  11.110   4.511
  263    HB2  HIS  33           1HB      HIS  33  -3.046   8.628   2.986
  264    HB3  HIS  33           2HB      HIS  33  -2.845  10.254   2.342
  265    HD1  HIS  33           1HD      HIS  33   0.003  11.090   3.040
  266    HD2  HIS  33           2HD      HIS  33  -1.118   7.132   2.205
  267    HE1  HIS  33           1HE      HIS  33   2.129   9.912   2.285
  268    H    ASP  34           H        ASP  34  -4.420   8.475   5.378
  269    HA   ASP  34           HA       ASP  34  -6.681   8.350   5.506
  270    HB2  ASP  34           1HB      ASP  34  -7.516   9.500   7.420
  271    HB3  ASP  34           2HB      ASP  34  -5.902   8.876   7.675
  272    HA   PRO  35           HA       PRO  35  -7.680  11.763   2.500
  273    HB2  PRO  35           1HB      PRO  35  -8.253  10.334   0.249
  274    HB3  PRO  35           2HB      PRO  35  -6.577  10.649   0.792
  275    HG2  PRO  35           1HG      PRO  35  -8.261   8.172   1.340
  276    HG3  PRO  35           2HG      PRO  35  -6.612   8.241   0.639
  277    HD2  PRO  35           1HD      PRO  35  -6.974   7.813   3.283
  278    HD3  PRO  35           2HD      PRO  35  -5.654   8.875   2.702
  279    H    GLN  36           H        GLN  36  -9.558   9.064   3.619
  280    HA   GLN  36           HA       GLN  36 -11.739   8.530   3.694
  281    HB2  GLN  36           1HB      GLN  36 -11.519  10.669   5.077
  282    HB3  GLN  36           2HB      GLN  36 -12.355  11.493   3.756
  283    HG2  GLN  36           1HG      GLN  36 -14.278   9.884   4.047
  284    HG3  GLN  36           2HG      GLN  36 -13.402   9.111   5.364
  285   HE21  GLN  36          1HE2      GLN  36 -15.795   9.871   6.147
  286   HE22  GLN  36          2HE2      GLN  36 -15.751  11.391   7.031
  287    H    ASP  37           H        ASP  37 -10.826   8.263   1.192
  288    HA   ASP  37           HA       ASP  37 -13.175   8.787  -0.556
  289    HB2  ASP  37           1HB      ASP  37 -11.542  10.578  -0.992
  290    HB3  ASP  37           2HB      ASP  37 -10.281   9.385  -1.277
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  17.014 -16.443 -11.477
    2    H2   GLY   1           2H       GLY   1  15.818 -16.510 -10.358
    3    H3   GLY   1           3H       GLY   1  17.370 -16.796  -9.917
    4    HA2  GLY   1           1HA      GLY   1  18.002 -14.529 -10.402
    5    HA3  GLY   1           2HA      GLY   1  16.330 -14.217 -10.904
    6    H    SER   2           H        SER   2  17.928 -12.938  -8.758
    7    HA   SER   2           HA       SER   2  16.928 -13.877  -6.193
    8    HB2  SER   2           1HB      SER   2  18.097 -11.863  -5.337
    9    HB3  SER   2           2HB      SER   2  19.119 -12.891  -6.355
   10    HG   SER   2           HG       SER   2  19.316 -10.656  -6.888
   11    H    SER   3           H        SER   3  15.646 -11.700  -8.570
   12    HA   SER   3           HA       SER   3  13.306 -11.129  -6.870
   13    HB2  SER   3           1HB      SER   3  14.957  -9.259  -6.486
   14    HB3  SER   3           2HB      SER   3  14.838  -8.867  -8.213
   15    HG   SER   3           HG       SER   3  13.393  -7.636  -6.877
   16    H    GLY   4           H        GLY   4  11.494 -10.300  -8.089
   17    HA2  GLY   4           1HA      GLY   4  11.324  -9.904 -10.863
   18    HA3  GLY   4           2HA      GLY   4  11.034 -11.625 -10.595
   19    H    SER   5           H        SER   5   9.043 -10.201 -11.721
   20    HA   SER   5           HA       SER   5   7.128  -9.214  -9.717
   21    HB2  SER   5           1HB      SER   5   6.864  -9.610 -12.715
   22    HB3  SER   5           2HB      SER   5   5.615  -8.925 -11.657
   23    HG   SER   5           HG       SER   5   8.250  -7.906 -12.067
   24    H    SER   6           H        SER   6   5.481 -10.271  -8.816
   25    HA   SER   6           HA       SER   6   5.168 -13.172  -9.256
   26    HB2  SER   6           1HB      SER   6   3.986 -13.053  -7.091
   27    HB3  SER   6           2HB      SER   6   5.594 -12.305  -7.010
   28    HG   SER   6           HG       SER   6   4.013 -10.954  -6.052
   29    H    GLY   7           H        GLY   7   3.590 -10.452 -10.439
   30    HA2  GLY   7           1HA      GLY   7   1.579 -10.337 -11.672
   31    HA3  GLY   7           2HA      GLY   7   1.024 -11.848 -10.956
   32    H    ILE   8           H        ILE   8   2.114 -10.103  -8.342
   33    HA   ILE   8           HA       ILE   8  -0.212  -8.291  -8.109
   34    HB   ILE   8           HB       ILE   8  -1.025 -10.218  -7.030
   35   HG12  ILE   8          1HG1      ILE   8  -0.156  -8.234  -4.902
   36   HG13  ILE   8          2HG1      ILE   8  -1.450  -7.979  -6.085
   37   HG21  ILE   8          1HG2      ILE   8  -0.008 -11.388  -5.169
   38   HG22  ILE   8          2HG2      ILE   8   1.125 -11.399  -6.513
   39   HG23  ILE   8          3HG2      ILE   8   1.376 -10.280  -5.155
   40   HD11  ILE   8          3HD1      ILE   8  -2.428  -8.651  -3.979
   41   HD12  ILE   8          1HD1      ILE   8  -2.657  -9.962  -5.153
   42   HD13  ILE   8          2HD1      ILE   8  -1.406 -10.091  -3.891
   43    H    LYS   9           H        LYS   9   0.567  -6.381  -7.950
   44    HA   LYS   9           HA       LYS   9   2.693  -5.686  -5.994
   45    HB2  LYS   9           1HB      LYS   9   2.706  -4.832  -8.923
   46    HB3  LYS   9           2HB      LYS   9   3.766  -4.188  -7.662
   47    HG2  LYS   9           1HG      LYS   9   4.706  -6.478  -7.303
   48    HG3  LYS   9           2HG      LYS   9   3.731  -7.076  -8.653
   49    HD2  LYS   9           1HD      LYS   9   5.892  -4.936  -8.840
   50    HD3  LYS   9           2HD      LYS   9   6.060  -6.636  -9.304
   51    HE2  LYS   9           1HE      LYS   9   4.191  -6.319 -10.967
   52    HE3  LYS   9           2HE      LYS   9   4.181  -4.593 -10.574
   53    HZ1  LYS   9           3HZ      LYS   9   6.481  -6.100 -11.704
   54    HZ2  LYS   9           1HZ      LYS   9   6.520  -4.506 -11.315
   55    HZ3  LYS   9           2HZ      LYS   9   5.552  -5.034 -12.522
   56    H    GLN  10           H        GLN  10   2.464  -3.694  -5.089
   57    HA   GLN  10           HA       GLN  10   0.127  -1.995  -5.869
   58    HB2  GLN  10           1HB      GLN  10   0.829  -3.201  -3.157
   59    HB3  GLN  10           2HB      GLN  10  -0.104  -1.732  -3.306
   60    HG2  GLN  10           1HG      GLN  10  -1.751  -3.331  -3.119
   61    HG3  GLN  10           2HG      GLN  10  -1.714  -3.005  -4.839
   62   HE21  GLN  10          1HE2      GLN  10  -2.889  -5.147  -4.922
   63   HE22  GLN  10          2HE2      GLN  10  -1.909  -6.606  -4.876
   64    H    HIS  11           H        HIS  11   0.251   0.224  -5.269
   65    HA   HIS  11           HA       HIS  11   2.659   1.143  -3.905
   66    HB2  HIS  11           1HB      HIS  11   3.357   2.765  -5.489
   67    HB3  HIS  11           2HB      HIS  11   3.310   1.213  -6.306
   68    HD1  HIS  11           1HD      HIS  11   1.403   4.574  -6.193
   69    HD2  HIS  11           2HD      HIS  11   1.620   0.978  -8.382
   70    HE1  HIS  11           1HE      HIS  11   0.036   4.940  -8.314
   71    H    CYS  12           H        CYS  12   2.525   3.187  -2.977
   72    HA   CYS  12           HA       CYS  12  -0.087   4.127  -2.193
   73    HB2  CYS  12           1HB      CYS  12   1.845   4.176  -0.742
   74    HB3  CYS  12           2HB      CYS  12   2.686   5.292  -1.835
   75    H    ARG  13           H        ARG  13  -1.104   5.956  -2.647
   76    HA   ARG  13           HA       ARG  13  -0.848   7.101  -5.374
   77    HB2  ARG  13           1HB      ARG  13  -3.034   6.342  -4.656
   78    HB3  ARG  13           2HB      ARG  13  -2.913   7.218  -3.138
   79    HG2  ARG  13           1HG      ARG  13  -4.466   8.325  -4.592
   80    HG3  ARG  13           2HG      ARG  13  -3.094   9.371  -4.301
   81    HD2  ARG  13           1HD      ARG  13  -2.140   8.595  -6.557
   82    HD3  ARG  13           2HD      ARG  13  -3.648   7.723  -6.808
   83    HE   ARG  13           HE       ARG  13  -4.739   9.720  -7.264
   84   HH11  ARG  13          2HH1      ARG  13  -1.616  10.585  -5.864
   85   HH12  ARG  13          1HH1      ARG  13  -1.799  12.257  -6.330
   86   HH21  ARG  13          2HH2      ARG  13  -4.884  11.867  -7.782
   87   HH22  ARG  13          1HH2      ARG  13  -3.597  12.959  -7.364
   88    H    PHE  14           H        PHE  14  -0.187   7.989  -2.092
   89    HA   PHE  14           HA       PHE  14  -0.048  10.891  -2.760
   90    HB2  PHE  14           1HB      PHE  14  -0.196   9.510  -0.082
   91    HB3  PHE  14           2HB      PHE  14  -0.403  11.225  -0.390
   92    HD1  PHE  14           2HD      PHE  14  -2.419  11.939  -1.884
   93    HD2  PHE  14           1HD      PHE  14  -2.032   8.004  -0.160
   94    HE1  PHE  14           2HE      PHE  14  -4.839  11.524  -2.276
   95    HE2  PHE  14           1HE      PHE  14  -4.449   7.597  -0.545
   96    HZ   PHE  14           HZ       PHE  14  -5.851   9.348  -1.621
   97    H    CYS  15           H        CYS  15   2.024   8.311  -1.511
   98    HA   CYS  15           HA       CYS  15   4.328  10.190  -1.688
   99    HB2  CYS  15           1HB      CYS  15   5.380   9.292   0.232
  100    HB3  CYS  15           2HB      CYS  15   3.790   9.919   0.654
  101    H    LYS  16           H        LYS  16   3.044   7.592  -3.104
  102    HA   LYS  16           HA       LYS  16   3.717   6.010  -4.567
  103    HB2  LYS  16           1HB      LYS  16   6.062   7.884  -4.969
  104    HB3  LYS  16           2HB      LYS  16   5.526   6.627  -6.088
  105    HG2  LYS  16           1HG      LYS  16   3.310   7.746  -6.296
  106    HG3  LYS  16           2HG      LYS  16   3.887   9.055  -5.245
  107    HD2  LYS  16           1HD      LYS  16   5.701   9.561  -6.857
  108    HD3  LYS  16           2HD      LYS  16   5.115   8.261  -7.920
  109    HE2  LYS  16           1HE      LYS  16   2.920   9.410  -8.110
  110    HE3  LYS  16           2HE      LYS  16   3.499  10.702  -7.050
  111    HZ1  LYS  16           3HZ      LYS  16   3.710  11.317  -9.390
  112    HZ2  LYS  16           1HZ      LYS  16   4.660  10.030  -9.704
  113    HZ3  LYS  16           2HZ      LYS  16   5.195  11.224  -8.725
  114    H    LYS  17           H        LYS  17   4.835   5.638  -1.750
  115    HA   LYS  17           HA       LYS  17   7.073   3.851  -1.954
  116    HB2  LYS  17           1HB      LYS  17   4.742   4.053   0.002
  117    HB3  LYS  17           2HB      LYS  17   6.048   2.871   0.182
  118    HG2  LYS  17           1HG      LYS  17   7.704   4.715   0.212
  119    HG3  LYS  17           2HG      LYS  17   6.378   5.883   0.060
  120    HD2  LYS  17           1HD      LYS  17   5.435   5.042   2.228
  121    HD3  LYS  17           2HD      LYS  17   6.832   3.949   2.376
  122    HE2  LYS  17           1HE      LYS  17   8.349   5.950   2.243
  123    HE3  LYS  17           2HE      LYS  17   6.926   6.998   2.190
  124    HZ1  LYS  17           3HZ      LYS  17   7.816   6.806   4.445
  125    HZ2  LYS  17           1HZ      LYS  17   7.627   5.186   4.443
  126    HZ3  LYS  17           2HZ      LYS  17   6.316   6.165   4.400
  127    H    LYS  18           H        LYS  18   7.157   1.642  -2.062
  128    HA   LYS  18           HA       LYS  18   4.976   0.363  -3.673
  129    HB2  LYS  18           1HB      LYS  18   7.951  -0.225  -3.580
  130    HB3  LYS  18           2HB      LYS  18   6.759  -1.161  -4.495
  131    HG2  LYS  18           1HG      LYS  18   6.107   0.889  -5.751
  132    HG3  LYS  18           2HG      LYS  18   7.365   1.805  -4.914
  133    HD2  LYS  18           1HD      LYS  18   7.847  -0.620  -6.702
  134    HD3  LYS  18           2HD      LYS  18   8.027   1.072  -7.190
  135    HE2  LYS  18           1HE      LYS  18   9.766   1.392  -5.430
  136    HE3  LYS  18           2HE      LYS  18   9.626  -0.316  -4.991
  137    HZ1  LYS  18           3HZ      LYS  18  10.479   0.694  -7.653
  138    HZ2  LYS  18           1HZ      LYS  18  10.346  -0.886  -7.251
  139    HZ3  LYS  18           2HZ      LYS  18  11.467   0.052  -6.526
  140    H    TYR  19           H        TYR  19   4.141  -1.552  -3.265
  141    HA   TYR  19           HA       TYR  19   4.791  -3.006  -0.750
  142    HB2  TYR  19           1HB      TYR  19   2.057  -1.945  -1.576
  143    HB3  TYR  19           2HB      TYR  19   2.353  -3.026  -0.222
  144    HD1  TYR  19           2HD      TYR  19   3.506  -2.235   1.820
  145    HD2  TYR  19           1HD      TYR  19   2.651   0.441  -1.457
  146    HE1  TYR  19           2HE      TYR  19   4.081  -0.286   3.258
  147    HE2  TYR  19           1HE      TYR  19   3.259   2.387  -0.016
  148    HH   TYR  19           HH       TYR  19   4.352   1.980   3.364
  149    H    SER  20           H        SER  20   3.886  -5.151  -0.639
  150    HA   SER  20           HA       SER  20   3.302  -6.408  -3.303
  151    HB2  SER  20           1HB      SER  20   4.477  -7.694  -0.819
  152    HB3  SER  20           2HB      SER  20   4.181  -8.480  -2.379
  153    HG   SER  20           HG       SER  20   5.973  -6.319  -1.865
  154    H    ASP  21           H        ASP  21   1.527  -5.250  -0.906
  155    HA   ASP  21           HA       ASP  21  -0.635  -7.222  -1.178
  156    HB2  ASP  21           1HB      ASP  21   0.467  -8.175   0.723
  157    HB3  ASP  21           2HB      ASP  21   0.784  -6.596   1.428
  158    H    VAL  22           H        VAL  22  -2.595  -6.297  -1.112
  159    HA   VAL  22           HA       VAL  22  -2.833  -3.414  -1.144
  160    HB   VAL  22           HB       VAL  22  -4.114  -5.047  -2.541
  161   HG11  VAL  22          1HG1      VAL  22  -5.926  -5.373  -0.122
  162   HG12  VAL  22          2HG1      VAL  22  -6.169  -6.023  -1.749
  163   HG13  VAL  22          3HG1      VAL  22  -4.835  -6.629  -0.758
  164   HG21  VAL  22          3HG2      VAL  22  -6.136  -3.679  -2.622
  165   HG22  VAL  22          1HG2      VAL  22  -5.771  -3.001  -1.023
  166   HG23  VAL  22          2HG2      VAL  22  -4.703  -2.660  -2.400
  167    H    LYS  23           H        LYS  23  -3.458  -5.865   1.329
  168    HA   LYS  23           HA       LYS  23  -4.982  -4.086   3.069
  169    HB2  LYS  23           1HB      LYS  23  -3.493  -6.634   3.774
  170    HB3  LYS  23           2HB      LYS  23  -4.643  -5.783   4.800
  171    HG2  LYS  23           1HG      LYS  23  -6.441  -6.141   3.159
  172    HG3  LYS  23           2HG      LYS  23  -5.328  -6.980   2.070
  173    HD2  LYS  23           1HD      LYS  23  -6.011  -7.900   4.890
  174    HD3  LYS  23           2HD      LYS  23  -6.767  -8.507   3.406
  175    HE2  LYS  23           1HE      LYS  23  -4.530  -9.244   2.575
  176    HE3  LYS  23           2HE      LYS  23  -3.794  -8.700   4.084
  177    HZ1  LYS  23           3HZ      LYS  23  -4.276 -11.074   4.150
  178    HZ2  LYS  23           1HZ      LYS  23  -5.863 -10.823   3.871
  179    HZ3  LYS  23           2HZ      LYS  23  -5.187 -10.316   5.269
  180    H    ASN  24           H        ASN  24  -1.516  -5.017   3.003
  181    HA   ASN  24           HA       ASN  24  -0.697  -3.204   5.080
  182    HB2  ASN  24           1HB      ASN  24   0.708  -4.621   2.801
  183    HB3  ASN  24           2HB      ASN  24   1.545  -3.354   3.688
  184   HD21  ASN  24          1HD2      ASN  24  -0.129  -6.494   4.167
  185   HD22  ASN  24          2HD2      ASN  24   0.762  -6.861   5.650
  186    H    LEU  25           H        LEU  25  -1.031  -2.646   1.524
  187    HA   LEU  25           HA       LEU  25  -0.173   0.071   1.568
  188    HB2  LEU  25           1HB      LEU  25  -0.396  -1.073  -0.523
  189    HB3  LEU  25           2HB      LEU  25  -2.086  -1.463  -0.214
  190    HG   LEU  25           HG       LEU  25  -2.726   0.904  -0.396
  191   HD11  LEU  25          1HD1      LEU  25  -1.112   2.552  -1.267
  192   HD12  LEU  25          2HD1      LEU  25   0.209   1.374  -1.122
  193   HD13  LEU  25          3HD1      LEU  25  -0.605   1.999   0.324
  194   HD21  LEU  25          3HD2      LEU  25  -1.056   0.140  -2.798
  195   HD22  LEU  25          1HD2      LEU  25  -2.492   1.164  -2.749
  196   HD23  LEU  25          2HD2      LEU  25  -2.650  -0.572  -2.424
  197    H    ILE  26           H        ILE  26  -3.532  -1.241   1.998
  198    HA   ILE  26           HA       ILE  26  -4.696   1.343   2.416
  199    HB   ILE  26           HB       ILE  26  -5.618  -1.462   3.070
  200   HG12  ILE  26          1HG1      ILE  26  -6.615   0.606   1.042
  201   HG13  ILE  26          2HG1      ILE  26  -5.377  -0.578   0.656
  202   HG21  ILE  26          1HG2      ILE  26  -7.881  -0.478   3.499
  203   HG22  ILE  26          2HG2      ILE  26  -6.716   0.007   4.719
  204   HG23  ILE  26          3HG2      ILE  26  -7.167   1.149   3.434
  205   HD11  ILE  26          3HD1      ILE  26  -6.964  -2.421   1.183
  206   HD12  ILE  26          1HD1      ILE  26  -8.250  -1.207   1.408
  207   HD13  ILE  26          2HD1      ILE  26  -7.465  -1.384  -0.168
  208    H    LYS  27           H        LYS  27  -3.335  -0.999   4.758
  209    HA   LYS  27           HA       LYS  27  -3.897   0.513   7.122
  210    HB2  LYS  27           1HB      LYS  27  -3.207  -1.875   7.031
  211    HB3  LYS  27           2HB      LYS  27  -1.574  -1.382   6.559
  212    HG2  LYS  27           1HG      LYS  27  -1.325  -0.145   8.698
  213    HG3  LYS  27           2HG      LYS  27  -2.966  -0.605   9.167
  214    HD2  LYS  27           1HD      LYS  27  -0.666  -2.547   8.647
  215    HD3  LYS  27           2HD      LYS  27  -1.177  -1.968  10.239
  216    HE2  LYS  27           1HE      LYS  27  -3.446  -2.946   9.853
  217    HE3  LYS  27           2HE      LYS  27  -2.888  -3.597   8.307
  218    HZ1  LYS  27           3HZ      LYS  27  -1.754  -4.302  10.963
  219    HZ2  LYS  27           1HZ      LYS  27  -1.228  -4.901   9.536
  220    HZ3  LYS  27           2HZ      LYS  27  -2.728  -5.257  10.069
  221    H    HIS  28           H        HIS  28  -1.129   0.721   4.852
  222    HA   HIS  28           HA       HIS  28   0.224   2.848   6.246
  223    HB2  HIS  28           1HB      HIS  28   1.470   1.677   4.616
  224    HB3  HIS  28           2HB      HIS  28   0.239   1.869   3.378
  225    HD1  HIS  28           1HD      HIS  28   2.620   4.215   5.358
  226    HD2  HIS  28           2HD      HIS  28   0.506   3.860   1.741
  227    HE1  HIS  28           1HE      HIS  28   3.243   6.258   3.992
  228    H    ILE  29           H        ILE  29  -2.177   2.991   3.534
  229    HA   ILE  29           HA       ILE  29  -2.265   5.800   3.343
  230    HB   ILE  29           HB       ILE  29  -4.374   3.712   2.718
  231   HG12  ILE  29          1HG1      ILE  29  -2.641   5.407   0.853
  232   HG13  ILE  29          2HG1      ILE  29  -2.168   3.809   1.405
  233   HG21  ILE  29          1HG2      ILE  29  -4.435   6.695   2.043
  234   HG22  ILE  29          2HG2      ILE  29  -5.554   5.478   1.397
  235   HG23  ILE  29          3HG2      ILE  29  -5.575   5.833   3.106
  236   HD11  ILE  29          3HD1      ILE  29  -4.245   2.846   0.386
  237   HD12  ILE  29          1HD1      ILE  29  -4.606   4.450  -0.303
  238   HD13  ILE  29          2HD1      ILE  29  -3.143   3.598  -0.788
  239    H    ARG  30           H        ARG  30  -4.447   3.742   5.350
  240    HA   ARG  30           HA       ARG  30  -5.848   6.023   6.421
  241    HB2  ARG  30           1HB      ARG  30  -7.036   4.479   7.754
  242    HB3  ARG  30           2HB      ARG  30  -6.703   3.662   6.222
  243    HG2  ARG  30           1HG      ARG  30  -4.713   2.567   7.375
  244    HG3  ARG  30           2HG      ARG  30  -5.324   3.197   8.900
  245    HD2  ARG  30           1HD      ARG  30  -6.839   1.365   6.996
  246    HD3  ARG  30           2HD      ARG  30  -6.004   0.846   8.471
  247    HE   ARG  30           HE       ARG  30  -7.783   2.855   9.281
  248   HH11  ARG  30          2HH1      ARG  30  -8.123  -0.335   7.870
  249   HH12  ARG  30          1HH1      ARG  30  -9.699  -0.575   8.576
  250   HH21  ARG  30          2HH2      ARG  30  -9.798   2.485  10.138
  251   HH22  ARG  30          1HH2      ARG  30 -10.611   0.980   9.830
  252    H    ASP  31           H        ASP  31  -2.774   4.836   7.310
  253    HA   ASP  31           HA       ASP  31  -2.844   6.159   9.967
  254    HB2  ASP  31           1HB      ASP  31  -1.799   3.934   9.706
  255    HB3  ASP  31           2HB      ASP  31  -0.646   4.605   8.555
  256    H    ALA  32           H        ALA  32  -1.152   6.440   6.824
  257    HA   ALA  32           HA       ALA  32   0.329   8.805   7.745
  258    HB1  ALA  32           1HB      ALA  32   1.440   6.900   6.637
  259    HB2  ALA  32           2HB      ALA  32   0.479   7.194   5.168
  260    HB3  ALA  32           3HB      ALA  32   1.648   8.409   5.725
  261    H    HIS  33           H        HIS  33  -2.406   8.240   5.588
  262    HA   HIS  33           HA       HIS  33  -2.214  11.065   4.580
  263    HB2  HIS  33           1HB      HIS  33  -3.031   8.620   2.982
  264    HB3  HIS  33           2HB      HIS  33  -2.846  10.265   2.388
  265    HD1  HIS  33           1HD      HIS  33  -0.023  11.130   3.031
  266    HD2  HIS  33           2HD      HIS  33  -1.066   7.140   2.243
  267    HE1  HIS  33           1HE      HIS  33   2.123   9.986   2.280
  268    H    ASP  34           H        ASP  34  -4.438   8.342   5.149
  269    HA   ASP  34           HA       ASP  34  -6.702   8.181   5.282
  270    HB2  ASP  34           1HB      ASP  34  -5.887   8.646   7.507
  271    HB3  ASP  34           2HB      ASP  34  -6.088  10.374   7.264
  272    HA   PRO  35           HA       PRO  35  -7.571  11.790   2.478
  273    HB2  PRO  35           1HB      PRO  35  -8.344  10.474   0.203
  274    HB3  PRO  35           2HB      PRO  35  -6.634  10.708   0.676
  275    HG2  PRO  35           1HG      PRO  35  -8.378   8.267   1.177
  276    HG3  PRO  35           2HG      PRO  35  -6.739   8.318   0.456
  277    HD2  PRO  35           1HD      PRO  35  -7.090   7.782   3.085
  278    HD3  PRO  35           2HD      PRO  35  -5.733   8.812   2.536
  279    H    GLN  36           H        GLN  36  -9.677   8.982   3.057
  280    HA   GLN  36           HA       GLN  36 -11.948  10.673   3.625
  281    HB2  GLN  36           1HB      GLN  36 -13.494   9.788   1.920
  282    HB3  GLN  36           2HB      GLN  36 -12.213  10.767   1.230
  283    HG2  GLN  36           1HG      GLN  36 -11.016   8.689   0.512
  284    HG3  GLN  36           2HG      GLN  36 -12.333   7.718   1.182
  285   HE21  GLN  36          1HE2      GLN  36 -11.603  10.227  -1.311
  286   HE22  GLN  36          2HE2      GLN  36 -12.952   9.765  -2.340
  287    H    ASP  37           H        ASP  37 -10.733   7.359   3.132
  288    HA   ASP  37           HA       ASP  37 -12.338   6.339   5.390
  289    HB2  ASP  37           1HB      ASP  37 -13.776   6.066   3.393
  290    HB3  ASP  37           2HB      ASP  37 -12.482   5.211   2.564
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  17.638  -8.314   4.342
    2    H2   GLY   1           2H       GLY   1  16.034  -8.404   4.670
    3    H3   GLY   1           3H       GLY   1  16.559  -7.515   3.400
    4    HA2  GLY   1           1HA      GLY   1  17.353  -9.483   2.264
    5    HA3  GLY   1           2HA      GLY   1  16.781 -10.446   3.639
    6    H    SER   2           H        SER   2  15.762 -11.370   1.485
    7    HA   SER   2           HA       SER   2  13.488 -10.086   0.331
    8    HB2  SER   2           1HB      SER   2  14.145 -13.051   0.476
    9    HB3  SER   2           2HB      SER   2  12.999 -12.280  -0.637
   10    HG   SER   2           HG       SER   2  15.064 -12.616  -1.602
   11    H    SER   3           H        SER   3  11.266 -10.446   0.550
   12    HA   SER   3           HA       SER   3  10.256 -10.718   3.201
   13    HB2  SER   3           1HB      SER   3   8.735 -10.852   0.569
   14    HB3  SER   3           2HB      SER   3   8.049 -10.498   2.164
   15    HG   SER   3           HG       SER   3   9.304  -8.596   2.234
   16    H    GLY   4           H        GLY   4   9.132 -12.302   4.261
   17    HA2  GLY   4           1HA      GLY   4   9.464 -15.085   3.449
   18    HA3  GLY   4           2HA      GLY   4   8.703 -14.478   4.920
   19    H    SER   5           H        SER   5   7.085 -12.830   2.626
   20    HA   SER   5           HA       SER   5   5.116 -14.904   1.848
   21    HB2  SER   5           1HB      SER   5   3.265 -13.562   2.745
   22    HB3  SER   5           2HB      SER   5   4.364 -14.084   4.028
   23    HG   SER   5           HG       SER   5   3.802 -11.874   4.242
   24    H    SER   6           H        SER   6   3.371 -13.923   0.444
   25    HA   SER   6           HA       SER   6   4.276 -11.675  -1.275
   26    HB2  SER   6           1HB      SER   6   5.192 -13.825  -2.187
   27    HB3  SER   6           2HB      SER   6   3.531 -14.420  -2.348
   28    HG   SER   6           HG       SER   6   4.266 -13.539  -4.285
   29    H    GLY   7           H        GLY   7   2.614 -10.730  -2.515
   30    HA2  GLY   7           1HA      GLY   7  -0.184 -11.604  -2.311
   31    HA3  GLY   7           2HA      GLY   7   0.219 -10.143  -1.407
   32    H    ILE   8           H        ILE   8  -1.408  -9.196  -2.828
   33    HA   ILE   8           HA       ILE   8  -0.815  -8.838  -5.693
   34    HB   ILE   8           HB       ILE   8  -2.979  -7.529  -4.002
   35   HG12  ILE   8          1HG1      ILE   8  -3.344  -9.908  -3.841
   36   HG13  ILE   8          2HG1      ILE   8  -4.537  -9.196  -4.904
   37   HG21  ILE   8          1HG2      ILE   8  -2.652  -7.831  -7.020
   38   HG22  ILE   8          2HG2      ILE   8  -4.105  -7.216  -6.203
   39   HG23  ILE   8          3HG2      ILE   8  -2.583  -6.328  -6.084
   40   HD11  ILE   8          3HD1      ILE   8  -3.305 -10.067  -6.890
   41   HD12  ILE   8          1HD1      ILE   8  -2.093 -10.791  -5.805
   42   HD13  ILE   8          2HD1      ILE   8  -3.770 -11.353  -5.767
   43    H    LYS   9           H        LYS   9   1.060  -7.735  -5.895
   44    HA   LYS   9           HA       LYS   9   1.935  -5.680  -4.129
   45    HB2  LYS   9           1HB      LYS   9   2.937  -6.550  -6.859
   46    HB3  LYS   9           2HB      LYS   9   3.799  -5.403  -5.819
   47    HG2  LYS   9           1HG      LYS   9   4.204  -7.015  -4.127
   48    HG3  LYS   9           2HG      LYS   9   2.958  -8.098  -4.718
   49    HD2  LYS   9           1HD      LYS   9   4.420  -8.383  -6.849
   50    HD3  LYS   9           2HD      LYS   9   5.698  -7.610  -5.898
   51    HE2  LYS   9           1HE      LYS   9   5.984  -9.967  -5.599
   52    HE3  LYS   9           2HE      LYS   9   5.286  -9.360  -4.095
   53    HZ1  LYS   9           3HZ      LYS   9   3.836 -10.788  -6.265
   54    HZ2  LYS   9           1HZ      LYS   9   3.068 -10.122  -4.984
   55    HZ3  LYS   9           2HZ      LYS   9   4.123 -11.348  -4.758
   56    H    GLN  10           H        GLN  10   1.959  -3.559  -4.146
   57    HA   GLN  10           HA       GLN  10   0.511  -2.014  -6.253
   58    HB2  GLN  10           1HB      GLN  10  -0.201  -2.340  -3.305
   59    HB3  GLN  10           2HB      GLN  10  -0.747  -0.974  -4.255
   60    HG2  GLN  10           1HG      GLN  10  -1.399  -3.866  -4.905
   61    HG3  GLN  10           2HG      GLN  10  -2.450  -2.755  -4.046
   62   HE21  GLN  10          1HE2      GLN  10  -3.507  -3.944  -6.243
   63   HE22  GLN  10          2HE2      GLN  10  -3.609  -2.778  -7.554
   64    H    HIS  11           H        HIS  11   0.496   0.371  -5.752
   65    HA   HIS  11           HA       HIS  11   2.684   1.247  -3.987
   66    HB2  HIS  11           1HB      HIS  11   3.598   2.826  -5.492
   67    HB3  HIS  11           2HB      HIS  11   3.603   1.262  -6.295
   68    HD1  HIS  11           1HD      HIS  11   1.585   4.596  -6.365
   69    HD2  HIS  11           2HD      HIS  11   2.371   1.128  -8.634
   70    HE1  HIS  11           1HE      HIS  11   0.579   5.002  -8.669
   71    H    CYS  12           H        CYS  12   2.489   3.270  -3.078
   72    HA   CYS  12           HA       CYS  12  -0.115   4.198  -2.424
   73    HB2  CYS  12           1HB      CYS  12   1.829   4.291  -0.967
   74    HB3  CYS  12           2HB      CYS  12   2.636   5.425  -2.056
   75    H    ARG  13           H        ARG  13  -1.084   6.109  -2.787
   76    HA   ARG  13           HA       ARG  13  -0.890   7.261  -5.529
   77    HB2  ARG  13           1HB      ARG  13  -3.044   6.433  -4.734
   78    HB3  ARG  13           2HB      ARG  13  -2.958   7.443  -3.292
   79    HG2  ARG  13           1HG      ARG  13  -3.147   9.481  -4.652
   80    HG3  ARG  13           2HG      ARG  13  -3.099   8.513  -6.135
   81    HD2  ARG  13           1HD      ARG  13  -5.185   7.334  -5.353
   82    HD3  ARG  13           2HD      ARG  13  -5.259   8.430  -3.974
   83    HE   ARG  13           HE       ARG  13  -5.976   8.976  -6.754
   84   HH11  ARG  13          2HH1      ARG  13  -5.042  10.612  -3.796
   85   HH12  ARG  13          1HH1      ARG  13  -5.772  12.114  -4.300
   86   HH21  ARG  13          2HH2      ARG  13  -6.880  10.914  -7.320
   87   HH22  ARG  13          1HH2      ARG  13  -6.784  12.271  -6.239
   88    H    PHE  14           H        PHE  14  -0.202   8.094  -2.219
   89    HA   PHE  14           HA       PHE  14  -0.126  11.013  -2.835
   90    HB2  PHE  14           1HB      PHE  14  -0.230   9.558  -0.191
   91    HB3  PHE  14           2HB      PHE  14  -0.405  11.284  -0.433
   92    HD1  PHE  14           2HD      PHE  14  -2.498  12.203  -1.459
   93    HD2  PHE  14           1HD      PHE  14  -2.057   7.999  -0.614
   94    HE1  PHE  14           2HE      PHE  14  -4.961  11.913  -1.597
   95    HE2  PHE  14           1HE      PHE  14  -4.515   7.705  -0.779
   96    HZ   PHE  14           HZ       PHE  14  -5.973   9.657  -1.277
   97    H    CYS  15           H        CYS  15   1.985   8.413  -1.685
   98    HA   CYS  15           HA       CYS  15   4.282  10.299  -1.843
   99    HB2  CYS  15           1HB      CYS  15   5.337   9.374   0.072
  100    HB3  CYS  15           2HB      CYS  15   3.746   9.996   0.500
  101    H    LYS  16           H        LYS  16   2.976   7.699  -3.250
  102    HA   LYS  16           HA       LYS  16   3.610   6.141  -4.747
  103    HB2  LYS  16           1HB      LYS  16   6.125   7.764  -5.153
  104    HB3  LYS  16           2HB      LYS  16   5.303   6.732  -6.316
  105    HG2  LYS  16           1HG      LYS  16   4.311   9.399  -5.233
  106    HG3  LYS  16           2HG      LYS  16   4.934   9.055  -6.842
  107    HD2  LYS  16           1HD      LYS  16   2.975   7.533  -7.257
  108    HD3  LYS  16           2HD      LYS  16   2.364   7.933  -5.648
  109    HE2  LYS  16           1HE      LYS  16   1.146   9.275  -7.169
  110    HE3  LYS  16           2HE      LYS  16   2.236  10.336  -6.281
  111    HZ1  LYS  16           3HZ      LYS  16   2.228  10.819  -8.670
  112    HZ2  LYS  16           1HZ      LYS  16   2.723   9.309  -9.033
  113    HZ3  LYS  16           2HZ      LYS  16   3.716  10.328  -8.225
  114    H    LYS  17           H        LYS  17   4.848   5.809  -1.918
  115    HA   LYS  17           HA       LYS  17   7.000   3.934  -2.134
  116    HB2  LYS  17           1HB      LYS  17   4.789   4.412  -0.092
  117    HB3  LYS  17           2HB      LYS  17   6.013   3.158   0.124
  118    HG2  LYS  17           1HG      LYS  17   7.800   4.874  -0.051
  119    HG3  LYS  17           2HG      LYS  17   6.556   6.125  -0.241
  120    HD2  LYS  17           1HD      LYS  17   5.652   5.525   2.016
  121    HD3  LYS  17           2HD      LYS  17   6.969   4.341   2.198
  122    HE2  LYS  17           1HE      LYS  17   8.631   6.179   1.900
  123    HE3  LYS  17           2HE      LYS  17   7.308   7.342   1.739
  124    HZ1  LYS  17           3HZ      LYS  17   7.846   5.710   4.166
  125    HZ2  LYS  17           1HZ      LYS  17   6.639   6.805   4.015
  126    HZ3  LYS  17           2HZ      LYS  17   8.193   7.296   4.004
  127    H    LYS  18           H        LYS  18   7.015   1.708  -2.064
  128    HA   LYS  18           HA       LYS  18   4.697   0.373  -3.421
  129    HB2  LYS  18           1HB      LYS  18   7.663  -0.227  -3.400
  130    HB3  LYS  18           2HB      LYS  18   6.481  -1.448  -3.846
  131    HG2  LYS  18           1HG      LYS  18   7.349  -0.414  -5.839
  132    HG3  LYS  18           2HG      LYS  18   5.625  -0.070  -5.674
  133    HD2  LYS  18           1HD      LYS  18   6.111   2.197  -4.906
  134    HD3  LYS  18           2HD      LYS  18   7.858   1.866  -4.914
  135    HE2  LYS  18           1HE      LYS  18   7.708   1.518  -7.393
  136    HE3  LYS  18           2HE      LYS  18   5.979   1.890  -7.317
  137    HZ1  LYS  18           3HZ      LYS  18   6.649   4.080  -6.315
  138    HZ2  LYS  18           1HZ      LYS  18   7.139   3.898  -7.878
  139    HZ3  LYS  18           2HZ      LYS  18   8.207   3.736  -6.653
  140    H    TYR  19           H        TYR  19   3.724  -1.427  -2.726
  141    HA   TYR  19           HA       TYR  19   4.444  -2.532  -0.051
  142    HB2  TYR  19           1HB      TYR  19   1.763  -1.438  -0.962
  143    HB3  TYR  19           2HB      TYR  19   1.933  -2.538   0.403
  144    HD1  TYR  19           2HD      TYR  19   3.283  -1.932   2.392
  145    HD2  TYR  19           1HD      TYR  19   2.492   0.917  -0.754
  146    HE1  TYR  19           2HE      TYR  19   4.177  -0.109   3.822
  147    HE2  TYR  19           1HE      TYR  19   3.427   2.740   0.671
  148    HH   TYR  19           HH       TYR  19   4.388   3.275   2.683
  149    H    SER  20           H        SER  20   3.962  -4.621   0.368
  150    HA   SER  20           HA       SER  20   4.173  -6.392  -1.862
  151    HB2  SER  20           1HB      SER  20   4.201  -8.133  -0.053
  152    HB3  SER  20           2HB      SER  20   5.365  -6.815   0.167
  153    HG   SER  20           HG       SER  20   4.267  -7.253   2.103
  154    H    ASP  21           H        ASP  21   1.388  -5.334  -0.078
  155    HA   ASP  21           HA       ASP  21  -0.356  -6.910  -1.813
  156    HB2  ASP  21           1HB      ASP  21   0.015  -8.350   0.215
  157    HB3  ASP  21           2HB      ASP  21  -0.728  -7.076   1.190
  158    H    VAL  22           H        VAL  22  -2.510  -5.995  -1.958
  159    HA   VAL  22           HA       VAL  22  -2.744  -3.191  -1.649
  160    HB   VAL  22           HB       VAL  22  -4.030  -4.641  -3.196
  161   HG11  VAL  22          1HG1      VAL  22  -4.794  -6.396  -1.616
  162   HG12  VAL  22          2HG1      VAL  22  -5.888  -5.214  -0.859
  163   HG13  VAL  22          3HG1      VAL  22  -6.111  -5.677  -2.553
  164   HG21  VAL  22          3HG2      VAL  22  -5.739  -2.764  -1.512
  165   HG22  VAL  22          1HG2      VAL  22  -4.626  -2.268  -2.799
  166   HG23  VAL  22          2HG2      VAL  22  -6.043  -3.257  -3.189
  167    H    LYS  23           H        LYS  23  -3.605  -5.769   0.635
  168    HA   LYS  23           HA       LYS  23  -4.962  -4.052   2.546
  169    HB2  LYS  23           1HB      LYS  23  -3.478  -6.687   2.926
  170    HB3  LYS  23           2HB      LYS  23  -4.438  -5.882   4.173
  171    HG2  LYS  23           1HG      LYS  23  -6.464  -6.033   2.786
  172    HG3  LYS  23           2HG      LYS  23  -5.547  -6.806   1.482
  173    HD2  LYS  23           1HD      LYS  23  -4.990  -8.699   2.989
  174    HD3  LYS  23           2HD      LYS  23  -5.934  -7.936   4.289
  175    HE2  LYS  23           1HE      LYS  23  -7.964  -8.023   2.853
  176    HE3  LYS  23           2HE      LYS  23  -7.021  -8.779   1.562
  177    HZ1  LYS  23           3HZ      LYS  23  -8.218 -10.438   2.870
  178    HZ2  LYS  23           1HZ      LYS  23  -7.486  -9.967   4.249
  179    HZ3  LYS  23           2HZ      LYS  23  -6.614 -10.665   3.054
  180    H    ASN  24           H        ASN  24  -1.514  -4.773   2.041
  181    HA   ASN  24           HA       ASN  24  -0.671  -3.259   4.405
  182    HB2  ASN  24           1HB      ASN  24   0.842  -4.421   2.038
  183    HB3  ASN  24           2HB      ASN  24   1.612  -3.463   3.301
  184   HD21  ASN  24          1HD2      ASN  24   2.215  -6.265   2.699
  185   HD22  ASN  24          2HD2      ASN  24   1.806  -7.124   4.174
  186    H    LEU  25           H        LEU  25  -1.137  -2.491   0.936
  187    HA   LEU  25           HA       LEU  25  -0.249   0.237   1.136
  188    HB2  LEU  25           1HB      LEU  25  -0.569  -0.688  -1.044
  189    HB3  LEU  25           2HB      LEU  25  -2.222  -1.171  -0.685
  190    HG   LEU  25           HG       LEU  25  -2.944   1.181  -0.574
  191   HD11  LEU  25          1HD1      LEU  25  -1.438   2.965  -1.356
  192   HD12  LEU  25          2HD1      LEU  25  -0.085   1.816  -1.460
  193   HD13  LEU  25          3HD1      LEU  25  -0.784   2.249   0.109
  194   HD21  LEU  25          3HD2      LEU  25  -2.896   1.677  -2.894
  195   HD22  LEU  25          1HD2      LEU  25  -2.971  -0.087  -2.738
  196   HD23  LEU  25          2HD2      LEU  25  -1.433   0.721  -3.145
  197    H    ILE  26           H        ILE  26  -3.562  -1.167   1.621
  198    HA   ILE  26           HA       ILE  26  -4.763   1.332   2.295
  199    HB   ILE  26           HB       ILE  26  -5.544  -1.533   2.858
  200   HG12  ILE  26          1HG1      ILE  26  -6.789   0.564   1.013
  201   HG13  ILE  26          2HG1      ILE  26  -5.482  -0.478   0.478
  202   HG21  ILE  26          1HG2      ILE  26  -7.140   1.006   3.455
  203   HG22  ILE  26          2HG2      ILE  26  -7.811  -0.640   3.466
  204   HG23  ILE  26          3HG2      ILE  26  -6.585  -0.191   4.644
  205   HD11  ILE  26          3HD1      ILE  26  -7.553  -1.413  -0.262
  206   HD12  ILE  26          1HD1      ILE  26  -6.847  -2.485   0.964
  207   HD13  ILE  26          2HD1      ILE  26  -8.219  -1.426   1.380
  208    H    LYS  27           H        LYS  27  -3.248  -1.131   4.375
  209    HA   LYS  27           HA       LYS  27  -3.609   0.114   6.914
  210    HB2  LYS  27           1HB      LYS  27  -2.916  -2.215   6.484
  211    HB3  LYS  27           2HB      LYS  27  -1.396  -1.647   5.787
  212    HG2  LYS  27           1HG      LYS  27  -0.812  -0.691   8.069
  213    HG3  LYS  27           2HG      LYS  27  -2.238  -1.529   8.703
  214    HD2  LYS  27           1HD      LYS  27   0.124  -2.812   7.242
  215    HD3  LYS  27           2HD      LYS  27  -0.119  -2.827   8.991
  216    HE2  LYS  27           1HE      LYS  27  -2.103  -4.201   8.796
  217    HE3  LYS  27           2HE      LYS  27  -2.123  -4.040   7.036
  218    HZ1  LYS  27           3HZ      LYS  27  -0.112  -5.311   6.881
  219    HZ2  LYS  27           1HZ      LYS  27  -1.160  -6.162   7.793
  220    HZ3  LYS  27           2HZ      LYS  27   0.073  -5.375   8.516
  221    H    HIS  28           H        HIS  28  -1.082   0.647   4.434
  222    HA   HIS  28           HA       HIS  28   0.351   2.654   5.947
  223    HB2  HIS  28           1HB      HIS  28   1.522   1.621   4.190
  224    HB3  HIS  28           2HB      HIS  28   0.236   1.872   3.025
  225    HD1  HIS  28           1HD      HIS  28   2.648   4.147   5.048
  226    HD2  HIS  28           2HD      HIS  28   0.453   3.924   1.471
  227    HE1  HIS  28           1HE      HIS  28   3.225   6.249   3.756
  228    H    ILE  29           H        ILE  29  -2.160   2.976   3.351
  229    HA   ILE  29           HA       ILE  29  -2.295   5.786   3.351
  230    HB   ILE  29           HB       ILE  29  -4.433   3.716   2.747
  231   HG12  ILE  29          1HG1      ILE  29  -2.841   5.528   0.867
  232   HG13  ILE  29          2HG1      ILE  29  -2.338   3.897   1.278
  233   HG21  ILE  29          1HG2      ILE  29  -4.553   6.729   2.231
  234   HG22  ILE  29          2HG2      ILE  29  -5.723   5.536   1.632
  235   HG23  ILE  29          3HG2      ILE  29  -5.601   5.820   3.347
  236   HD11  ILE  29          3HD1      ILE  29  -4.899   4.650  -0.192
  237   HD12  ILE  29          1HD1      ILE  29  -3.484   3.838  -0.848
  238   HD13  ILE  29          2HD1      ILE  29  -4.489   3.005   0.355
  239    H    ARG  30           H        ARG  30  -4.320   3.562   5.339
  240    HA   ARG  30           HA       ARG  30  -5.726   5.699   6.641
  241    HB2  ARG  30           1HB      ARG  30  -6.753   4.013   7.941
  242    HB3  ARG  30           2HB      ARG  30  -6.469   3.305   6.344
  243    HG2  ARG  30           1HG      ARG  30  -4.372   2.234   7.332
  244    HG3  ARG  30           2HG      ARG  30  -4.942   2.771   8.916
  245    HD2  ARG  30           1HD      ARG  30  -7.101   1.545   8.491
  246    HD3  ARG  30           2HD      ARG  30  -6.392   0.929   6.983
  247    HE   ARG  30           HE       ARG  30  -4.789   0.422   9.393
  248   HH11  ARG  30          2HH1      ARG  30  -7.380  -0.918   7.451
  249   HH12  ARG  30          1HH1      ARG  30  -7.095  -2.537   8.025
  250   HH21  ARG  30          2HH2      ARG  30  -4.516  -1.660  10.120
  251   HH22  ARG  30          1HH2      ARG  30  -5.523  -2.935   9.504
  252    H    ASP  31           H        ASP  31  -2.542   4.711   7.219
  253    HA   ASP  31           HA       ASP  31  -2.523   5.869   9.965
  254    HB2  ASP  31           1HB      ASP  31  -1.491   3.650   9.593
  255    HB3  ASP  31           2HB      ASP  31  -0.380   4.360   8.426
  256    H    ALA  32           H        ALA  32  -0.976   6.244   6.761
  257    HA   ALA  32           HA       ALA  32   0.574   8.564   7.675
  258    HB1  ALA  32           1HB      ALA  32   1.596   6.690   6.439
  259    HB2  ALA  32           2HB      ALA  32   0.549   7.040   5.042
  260    HB3  ALA  32           3HB      ALA  32   1.764   8.225   5.563
  261    H    HIS  33           H        HIS  33  -2.270   8.095   5.636
  262    HA   HIS  33           HA       HIS  33  -2.130  10.966   4.747
  263    HB2  HIS  33           1HB      HIS  33  -3.032   8.588   3.088
  264    HB3  HIS  33           2HB      HIS  33  -2.896  10.260   2.557
  265    HD1  HIS  33           1HD      HIS  33  -0.041  11.118   3.060
  266    HD2  HIS  33           2HD      HIS  33  -1.116   7.163   2.146
  267    HE1  HIS  33           1HE      HIS  33   2.057  10.032   2.116
  268    H    ASP  34           H        ASP  34  -4.258   8.214   5.375
  269    HA   ASP  34           HA       ASP  34  -6.503   7.971   5.569
  270    HB2  ASP  34           1HB      ASP  34  -5.502   8.284   7.767
  271    HB3  ASP  34           2HB      ASP  34  -5.870  10.003   7.694
  272    HA   PRO  35           HA       PRO  35  -8.022  11.511   2.964
  273    HB2  PRO  35           1HB      PRO  35  -9.409   9.110   1.766
  274    HB3  PRO  35           2HB      PRO  35  -8.747  10.556   0.941
  275    HG2  PRO  35           1HG      PRO  35  -7.353   8.235   0.928
  276    HG3  PRO  35           2HG      PRO  35  -6.501   9.785   1.247
  277    HD2  PRO  35           1HD      PRO  35  -7.446   7.728   3.272
  278    HD3  PRO  35           2HD      PRO  35  -5.882   8.580   3.147
  279    H    GLN  36           H        GLN  36 -10.069  12.477   2.864
  280    HA   GLN  36           HA       GLN  36 -11.845  11.819   5.092
  281    HB2  GLN  36           1HB      GLN  36 -11.845  14.127   3.111
  282    HB3  GLN  36           2HB      GLN  36 -12.905  13.990   4.517
  283    HG2  GLN  36           1HG      GLN  36 -10.917  13.937   6.018
  284    HG3  GLN  36           2HG      GLN  36  -9.860  14.155   4.620
  285   HE21  GLN  36          1HE2      GLN  36 -12.440  15.751   6.558
  286   HE22  GLN  36          2HE2      GLN  36 -12.014  17.371   6.023
  287    H    ASP  37           H        ASP  37 -11.846  10.605   2.032
  288    HA   ASP  37           HA       ASP  37 -14.747   9.984   2.055
  289    HB2  ASP  37           1HB      ASP  37 -14.505  11.938   0.580
  290    HB3  ASP  37           2HB      ASP  37 -13.260  11.111  -0.347
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1   8.555 -22.393 -15.385
    2    H2   GLY   1           2H       GLY   1   9.257 -23.297 -16.559
    3    H3   GLY   1           3H       GLY   1   7.704 -23.583 -16.118
    4    HA2  GLY   1           1HA      GLY   1   8.677 -21.128 -17.426
    5    HA3  GLY   1           2HA      GLY   1   7.772 -22.424 -18.229
    6    H    SER   2           H        SER   2   7.190 -19.492 -17.673
    7    HA   SER   2           HA       SER   2   4.466 -19.787 -16.477
    8    HB2  SER   2           1HB      SER   2   6.460 -17.577 -15.844
    9    HB3  SER   2           2HB      SER   2   4.776 -17.652 -15.294
   10    HG   SER   2           HG       SER   2   6.253 -18.437 -13.712
   11    H    SER   3           H        SER   3   2.903 -18.347 -17.215
   12    HA   SER   3           HA       SER   3   3.238 -17.420 -19.939
   13    HB2  SER   3           1HB      SER   3   0.853 -17.137 -18.081
   14    HB3  SER   3           2HB      SER   3   0.852 -16.963 -19.847
   15    HG   SER   3           HG       SER   3   0.161 -19.052 -19.183
   16    H    GLY   4           H        GLY   4   4.133 -15.831 -17.183
   17    HA2  GLY   4           1HA      GLY   4   4.355 -13.229 -18.376
   18    HA3  GLY   4           2HA      GLY   4   3.004 -13.267 -17.241
   19    H    SER   5           H        SER   5   4.093 -11.748 -15.913
   20    HA   SER   5           HA       SER   5   6.684 -12.243 -14.696
   21    HB2  SER   5           1HB      SER   5   6.253 -10.212 -13.484
   22    HB3  SER   5           2HB      SER   5   5.711  -9.985 -15.152
   23    HG   SER   5           HG       SER   5   4.134  -9.227 -13.707
   24    H    SER   6           H        SER   6   6.727 -11.904 -12.155
   25    HA   SER   6           HA       SER   6   5.535 -14.193 -10.864
   26    HB2  SER   6           1HB      SER   6   6.655 -13.268  -8.846
   27    HB3  SER   6           2HB      SER   6   7.725 -13.445 -10.244
   28    HG   SER   6           HG       SER   6   8.080 -11.451  -9.313
   29    H    GLY   7           H        GLY   7   4.063 -11.290 -11.642
   30    HA2  GLY   7           1HA      GLY   7   1.637 -11.312 -11.025
   31    HA3  GLY   7           2HA      GLY   7   2.136 -11.408  -9.339
   32    H    ILE   8           H        ILE   8   0.492  -9.475  -9.773
   33    HA   ILE   8           HA       ILE   8   1.799  -6.933 -10.487
   34    HB   ILE   8           HB       ILE   8  -1.009  -7.565  -9.508
   35   HG12  ILE   8          1HG1      ILE   8   0.039  -6.811 -12.281
   36   HG13  ILE   8          2HG1      ILE   8  -0.436  -8.433 -11.787
   37   HG21  ILE   8          1HG2      ILE   8  -0.398  -5.258  -8.857
   38   HG22  ILE   8          2HG2      ILE   8   0.131  -4.916 -10.522
   39   HG23  ILE   8          3HG2      ILE   8  -1.574  -5.233 -10.146
   40   HD11  ILE   8          3HD1      ILE   8  -2.766  -7.594 -11.364
   41   HD12  ILE   8          1HD1      ILE   8  -2.283  -6.048 -12.108
   42   HD13  ILE   8          2HD1      ILE   8  -2.232  -7.537 -13.056
   43    H    LYS   9           H        LYS   9   2.458  -5.375  -9.111
   44    HA   LYS   9           HA       LYS   9   2.373  -5.873  -6.156
   45    HB2  LYS   9           1HB      LYS   9   4.502  -4.369  -7.742
   46    HB3  LYS   9           2HB      LYS   9   4.391  -4.479  -5.990
   47    HG2  LYS   9           1HG      LYS   9   5.927  -6.125  -6.363
   48    HG3  LYS   9           2HG      LYS   9   4.445  -7.083  -6.373
   49    HD2  LYS   9           1HD      LYS   9   4.481  -6.891  -8.929
   50    HD3  LYS   9           2HD      LYS   9   6.058  -6.107  -8.781
   51    HE2  LYS   9           1HE      LYS   9   6.998  -8.111  -7.731
   52    HE3  LYS   9           2HE      LYS   9   5.396  -8.859  -7.648
   53    HZ1  LYS   9           3HZ      LYS   9   6.590  -9.714  -9.558
   54    HZ2  LYS   9           1HZ      LYS   9   6.843  -8.209 -10.157
   55    HZ3  LYS   9           2HZ      LYS   9   5.320  -8.821 -10.079
   56    H    GLN  10           H        GLN  10   2.090  -4.060  -4.789
   57    HA   GLN  10           HA       GLN  10   0.162  -2.120  -5.972
   58    HB2  GLN  10           1HB      GLN  10   0.581  -2.988  -3.086
   59    HB3  GLN  10           2HB      GLN  10  -0.690  -1.931  -3.679
   60    HG2  GLN  10           1HG      GLN  10  -0.357  -4.871  -4.408
   61    HG3  GLN  10           2HG      GLN  10  -1.497  -4.217  -3.251
   62   HE21  GLN  10          1HE2      GLN  10  -2.353  -5.804  -5.436
   63   HE22  GLN  10          2HE2      GLN  10  -3.293  -4.760  -6.493
   64    H    HIS  11           H        HIS  11   0.182   0.127  -5.272
   65    HA   HIS  11           HA       HIS  11   2.483   1.012  -3.726
   66    HB2  HIS  11           1HB      HIS  11   3.375   2.605  -5.263
   67    HB3  HIS  11           2HB      HIS  11   3.390   1.026  -6.024
   68    HD1  HIS  11           1HD      HIS  11   1.557   4.418  -6.258
   69    HD2  HIS  11           2HD      HIS  11   1.997   0.750  -8.289
   70    HE1  HIS  11           1HE      HIS  11   0.582   4.766  -8.587
   71    H    CYS  12           H        CYS  12   2.382   3.049  -2.837
   72    HA   CYS  12           HA       CYS  12  -0.194   4.133  -2.161
   73    HB2  CYS  12           1HB      CYS  12   1.741   4.174  -0.704
   74    HB3  CYS  12           2HB      CYS  12   2.637   5.178  -1.850
   75    H    ARG  13           H        ARG  13  -0.998   6.106  -2.508
   76    HA   ARG  13           HA       ARG  13  -0.909   7.033  -5.353
   77    HB2  ARG  13           1HB      ARG  13  -2.809   7.752  -3.079
   78    HB3  ARG  13           2HB      ARG  13  -2.991   8.177  -4.767
   79    HG2  ARG  13           1HG      ARG  13  -3.208   5.371  -3.595
   80    HG3  ARG  13           2HG      ARG  13  -4.517   6.425  -4.095
   81    HD2  ARG  13           1HD      ARG  13  -4.442   5.234  -5.988
   82    HD3  ARG  13           2HD      ARG  13  -3.181   6.389  -6.437
   83    HE   ARG  13           HE       ARG  13  -1.950   4.205  -5.072
   84   HH11  ARG  13          2HH1      ARG  13  -3.596   4.716  -8.132
   85   HH12  ARG  13          1HH1      ARG  13  -2.886   3.291  -8.842
   86   HH21  ARG  13          2HH2      ARG  13  -1.087   2.464  -6.027
   87   HH22  ARG  13          1HH2      ARG  13  -1.428   2.088  -7.703
   88    H    PHE  14           H        PHE  14  -0.370   8.132  -2.058
   89    HA   PHE  14           HA       PHE  14  -0.063  10.950  -2.893
   90    HB2  PHE  14           1HB      PHE  14  -0.168   9.751  -0.120
   91    HB3  PHE  14           2HB      PHE  14  -0.396  11.437  -0.553
   92    HD1  PHE  14           1HD      PHE  14  -2.448  12.030  -2.043
   93    HD2  PHE  14           2HD      PHE  14  -2.005   8.242  -0.028
   94    HE1  PHE  14           1HE      PHE  14  -4.881  11.596  -2.309
   95    HE2  PHE  14           2HE      PHE  14  -4.437   7.818  -0.286
   96    HZ   PHE  14           HZ       PHE  14  -5.875   9.487  -1.441
   97    H    CYS  15           H        CYS  15   1.922   8.387  -1.459
   98    HA   CYS  15           HA       CYS  15   4.298  10.148  -1.794
   99    HB2  CYS  15           1HB      CYS  15   5.353   9.350   0.130
  100    HB3  CYS  15           2HB      CYS  15   3.770   9.968   0.571
  101    H    LYS  16           H        LYS  16   2.819   7.478  -2.945
  102    HA   LYS  16           HA       LYS  16   3.354   5.818  -4.379
  103    HB2  LYS  16           1HB      LYS  16   5.348   7.927  -5.216
  104    HB3  LYS  16           2HB      LYS  16   4.907   6.519  -6.196
  105    HG2  LYS  16           1HG      LYS  16   2.554   7.189  -6.223
  106    HG3  LYS  16           2HG      LYS  16   2.902   8.587  -5.190
  107    HD2  LYS  16           1HD      LYS  16   4.302   9.588  -6.931
  108    HD3  LYS  16           2HD      LYS  16   4.132   8.143  -7.935
  109    HE2  LYS  16           1HE      LYS  16   2.669   9.848  -8.794
  110    HE3  LYS  16           2HE      LYS  16   1.701   8.524  -8.144
  111    HZ1  LYS  16           3HZ      LYS  16   2.247  11.050  -6.668
  112    HZ2  LYS  16           1HZ      LYS  16   1.200   9.867  -6.206
  113    HZ3  LYS  16           2HZ      LYS  16   0.888  10.766  -7.521
  114    H    LYS  17           H        LYS  17   4.666   5.478  -1.838
  115    HA   LYS  17           HA       LYS  17   6.991   3.788  -2.175
  116    HB2  LYS  17           1HB      LYS  17   4.783   3.991  -0.079
  117    HB3  LYS  17           2HB      LYS  17   6.140   2.869   0.068
  118    HG2  LYS  17           1HG      LYS  17   7.726   4.751   0.031
  119    HG3  LYS  17           2HG      LYS  17   6.373   5.876  -0.224
  120    HD2  LYS  17           1HD      LYS  17   5.396   5.133   1.971
  121    HD3  LYS  17           2HD      LYS  17   6.808   4.104   2.217
  122    HE2  LYS  17           1HE      LYS  17   6.993   6.200   3.478
  123    HE3  LYS  17           2HE      LYS  17   8.287   6.060   2.283
  124    HZ1  LYS  17           3HZ      LYS  17   7.132   8.290   2.392
  125    HZ2  LYS  17           1HZ      LYS  17   5.792   7.586   1.735
  126    HZ3  LYS  17           2HZ      LYS  17   7.183   7.633   0.896
  127    H    LYS  18           H        LYS  18   7.056   1.520  -2.116
  128    HA   LYS  18           HA       LYS  18   4.794   0.207  -3.592
  129    HB2  LYS  18           1HB      LYS  18   7.784  -0.274  -3.635
  130    HB3  LYS  18           2HB      LYS  18   6.643  -1.504  -4.160
  131    HG2  LYS  18           1HG      LYS  18   7.438  -0.312  -6.082
  132    HG3  LYS  18           2HG      LYS  18   5.711  -0.016  -5.871
  133    HD2  LYS  18           1HD      LYS  18   6.158   2.206  -4.967
  134    HD3  LYS  18           2HD      LYS  18   7.912   1.908  -5.002
  135    HE2  LYS  18           1HE      LYS  18   7.748   1.704  -7.501
  136    HE3  LYS  18           2HE      LYS  18   6.017   2.057  -7.387
  137    HZ1  LYS  18           3HZ      LYS  18   6.678   4.188  -6.266
  138    HZ2  LYS  18           1HZ      LYS  18   7.166   4.103  -7.838
  139    HZ3  LYS  18           2HZ      LYS  18   8.237   3.876  -6.626
  140    H    TYR  19           H        TYR  19   3.922  -1.663  -3.040
  141    HA   TYR  19           HA       TYR  19   4.623  -2.947  -0.445
  142    HB2  TYR  19           1HB      TYR  19   1.882  -1.929  -1.291
  143    HB3  TYR  19           2HB      TYR  19   2.187  -2.949   0.110
  144    HD1  TYR  19           2HD      TYR  19   3.410  -2.097   2.082
  145    HD2  TYR  19           1HD      TYR  19   2.509   0.457  -1.278
  146    HE1  TYR  19           2HE      TYR  19   4.102  -0.110   3.407
  147    HE2  TYR  19           1HE      TYR  19   3.232   2.444   0.049
  148    HH   TYR  19           HH       TYR  19   4.482   2.144   3.386
  149    H    SER  20           H        SER  20   4.278  -5.115  -0.315
  150    HA   SER  20           HA       SER  20   3.769  -6.601  -2.777
  151    HB2  SER  20           1HB      SER  20   4.255  -7.610   0.047
  152    HB3  SER  20           2HB      SER  20   4.343  -8.561  -1.449
  153    HG   SER  20           HG       SER  20   6.415  -7.853  -0.743
  154    H    ASP  21           H        ASP  21   1.636  -5.332  -0.519
  155    HA   ASP  21           HA       ASP  21  -0.541  -7.231  -1.165
  156    HB2  ASP  21           1HB      ASP  21   0.414  -8.244   0.801
  157    HB3  ASP  21           2HB      ASP  21   0.599  -6.691   1.596
  158    H    VAL  22           H        VAL  22  -2.565  -6.352  -1.085
  159    HA   VAL  22           HA       VAL  22  -2.739  -3.471  -1.223
  160    HB   VAL  22           HB       VAL  22  -3.984  -5.118  -2.633
  161   HG11  VAL  22          1HG1      VAL  22  -4.858  -6.610  -0.838
  162   HG12  VAL  22          2HG1      VAL  22  -5.947  -5.299  -0.319
  163   HG13  VAL  22          3HG1      VAL  22  -6.109  -6.006  -1.933
  164   HG21  VAL  22          3HG2      VAL  22  -4.506  -2.712  -2.611
  165   HG22  VAL  22          1HG2      VAL  22  -5.958  -3.692  -2.873
  166   HG23  VAL  22          2HG2      VAL  22  -5.657  -2.964  -1.283
  167    H    LYS  23           H        LYS  23  -3.594  -5.810   1.297
  168    HA   LYS  23           HA       LYS  23  -5.049  -3.844   2.914
  169    HB2  LYS  23           1HB      LYS  23  -3.849  -6.484   3.832
  170    HB3  LYS  23           2HB      LYS  23  -5.053  -5.518   4.667
  171    HG2  LYS  23           1HG      LYS  23  -5.444  -6.971   2.014
  172    HG3  LYS  23           2HG      LYS  23  -6.046  -7.466   3.593
  173    HD2  LYS  23           1HD      LYS  23  -7.464  -5.402   3.694
  174    HD3  LYS  23           2HD      LYS  23  -6.859  -4.931   2.102
  175    HE2  LYS  23           1HE      LYS  23  -8.990  -5.909   1.747
  176    HE3  LYS  23           2HE      LYS  23  -7.781  -7.035   1.129
  177    HZ1  LYS  23           3HZ      LYS  23  -9.150  -7.274   3.763
  178    HZ2  LYS  23           1HZ      LYS  23  -8.058  -8.343   3.174
  179    HZ3  LYS  23           2HZ      LYS  23  -9.502  -8.159   2.440
  180    H    ASN  24           H        ASN  24  -1.667  -4.954   2.828
  181    HA   ASN  24           HA       ASN  24  -0.762  -3.232   4.969
  182    HB2  ASN  24           1HB      ASN  24   0.589  -4.578   2.610
  183    HB3  ASN  24           2HB      ASN  24   1.459  -3.416   3.602
  184   HD21  ASN  24          1HD2      ASN  24  -0.453  -6.477   3.916
  185   HD22  ASN  24          2HD2      ASN  24   0.465  -7.002   5.328
  186    H    LEU  25           H        LEU  25  -1.061  -2.617   1.424
  187    HA   LEU  25           HA       LEU  25  -0.220   0.105   1.497
  188    HB2  LEU  25           1HB      LEU  25  -0.393  -1.011  -0.597
  189    HB3  LEU  25           2HB      LEU  25  -2.068  -1.469  -0.317
  190    HG   LEU  25           HG       LEU  25  -2.815   0.854  -0.531
  191   HD11  LEU  25          1HD1      LEU  25  -1.283   2.580  -1.350
  192   HD12  LEU  25          2HD1      LEU  25   0.106   1.479  -1.183
  193   HD13  LEU  25          3HD1      LEU  25  -0.766   2.054   0.248
  194   HD21  LEU  25          3HD2      LEU  25  -2.457   1.122  -2.899
  195   HD22  LEU  25          1HD2      LEU  25  -2.629  -0.605  -2.544
  196   HD23  LEU  25          2HD2      LEU  25  -1.017   0.095  -2.849
  197    H    ILE  26           H        ILE  26  -3.578  -1.218   1.838
  198    HA   ILE  26           HA       ILE  26  -4.805   1.320   2.255
  199    HB   ILE  26           HB       ILE  26  -5.618  -1.502   2.968
  200   HG12  ILE  26          1HG1      ILE  26  -6.792   0.489   0.966
  201   HG13  ILE  26          2HG1      ILE  26  -5.469  -0.585   0.541
  202   HG21  ILE  26          1HG2      ILE  26  -7.910  -0.590   3.434
  203   HG22  ILE  26          2HG2      ILE  26  -6.730  -0.093   4.639
  204   HG23  ILE  26          3HG2      ILE  26  -7.237   1.056   3.375
  205   HD11  ILE  26          3HD1      ILE  26  -6.869  -2.558   1.090
  206   HD12  ILE  26          1HD1      ILE  26  -8.248  -1.471   1.389
  207   HD13  ILE  26          2HD1      ILE  26  -7.520  -1.558  -0.224
  208    H    LYS  27           H        LYS  27  -3.403  -0.954   4.642
  209    HA   LYS  27           HA       LYS  27  -4.014   0.591   6.973
  210    HB2  LYS  27           1HB      LYS  27  -3.355  -1.780   6.951
  211    HB3  LYS  27           2HB      LYS  27  -1.703  -1.335   6.484
  212    HG2  LYS  27           1HG      LYS  27  -1.461  -0.050   8.587
  213    HG3  LYS  27           2HG      LYS  27  -3.112  -0.465   9.052
  214    HD2  LYS  27           1HD      LYS  27  -0.854  -2.491   8.636
  215    HD3  LYS  27           2HD      LYS  27  -1.306  -1.773  10.173
  216    HE2  LYS  27           1HE      LYS  27  -2.422  -3.750  10.334
  217    HE3  LYS  27           2HE      LYS  27  -3.696  -2.694   9.729
  218    HZ1  LYS  27           3HZ      LYS  27  -2.067  -4.572   8.083
  219    HZ2  LYS  27           1HZ      LYS  27  -3.268  -3.623   7.491
  220    HZ3  LYS  27           2HZ      LYS  27  -3.608  -4.820   8.543
  221    H    HIS  28           H        HIS  28  -1.158   0.716   4.792
  222    HA   HIS  28           HA       HIS  28   0.198   2.838   6.155
  223    HB2  HIS  28           1HB      HIS  28   1.421   1.650   4.514
  224    HB3  HIS  28           2HB      HIS  28   0.190   1.873   3.280
  225    HD1  HIS  28           1HD      HIS  28   2.669   4.127   5.243
  226    HD2  HIS  28           2HD      HIS  28   0.456   3.899   1.676
  227    HE1  HIS  28           1HE      HIS  28   3.333   6.164   3.893
  228    H    ILE  29           H        ILE  29  -2.252   3.015   3.490
  229    HA   ILE  29           HA       ILE  29  -2.305   5.832   3.309
  230    HB   ILE  29           HB       ILE  29  -4.453   3.776   2.722
  231   HG12  ILE  29          1HG1      ILE  29  -2.746   5.468   0.833
  232   HG13  ILE  29          2HG1      ILE  29  -2.270   3.864   1.367
  233   HG21  ILE  29          1HG2      ILE  29  -4.488   6.769   2.096
  234   HG22  ILE  29          2HG2      ILE  29  -5.636   5.579   1.450
  235   HG23  ILE  29          3HG2      ILE  29  -5.616   5.907   3.167
  236   HD11  ILE  29          3HD1      ILE  29  -3.291   3.681  -0.809
  237   HD12  ILE  29          1HD1      ILE  29  -4.357   2.910   0.384
  238   HD13  ILE  29          2HD1      ILE  29  -4.748   4.519  -0.275
  239    H    ARG  30           H        ARG  30  -4.467   3.789   5.361
  240    HA   ARG  30           HA       ARG  30  -5.725   6.115   6.534
  241    HB2  ARG  30           1HB      ARG  30  -6.898   4.608   7.960
  242    HB3  ARG  30           2HB      ARG  30  -6.790   3.898   6.345
  243    HG2  ARG  30           1HG      ARG  30  -4.987   2.421   7.094
  244    HG3  ARG  30           2HG      ARG  30  -5.013   3.130   8.699
  245    HD2  ARG  30           1HD      ARG  30  -6.200   1.020   8.723
  246    HD3  ARG  30           2HD      ARG  30  -7.316   2.358   9.045
  247    HE   ARG  30           HE       ARG  30  -7.298   1.748   6.235
  248   HH11  ARG  30          2HH1      ARG  30  -8.515   0.380   9.223
  249   HH12  ARG  30          1HH1      ARG  30  -9.880  -0.365   8.438
  250   HH21  ARG  30          2HH2      ARG  30  -9.105   0.808   5.304
  251   HH22  ARG  30          1HH2      ARG  30 -10.184  -0.141   6.279
  252    H    ASP  31           H        ASP  31  -2.680   4.751   7.284
  253    HA   ASP  31           HA       ASP  31  -2.562   6.009   9.965
  254    HB2  ASP  31           1HB      ASP  31  -1.560   3.791   9.545
  255    HB3  ASP  31           2HB      ASP  31  -0.473   4.501   8.354
  256    H    ALA  32           H        ALA  32  -1.040   6.422   6.748
  257    HA   ALA  32           HA       ALA  32   0.486   8.749   7.709
  258    HB1  ALA  32           1HB      ALA  32   1.573   6.871   6.539
  259    HB2  ALA  32           2HB      ALA  32   0.585   7.198   5.095
  260    HB3  ALA  32           3HB      ALA  32   1.766   8.399   5.656
  261    H    HIS  33           H        HIS  33  -2.293   8.249   5.595
  262    HA   HIS  33           HA       HIS  33  -2.097  11.094   4.640
  263    HB2  HIS  33           1HB      HIS  33  -3.001   8.686   3.032
  264    HB3  HIS  33           2HB      HIS  33  -2.803  10.337   2.455
  265    HD1  HIS  33           1HD      HIS  33   0.039  11.152   3.000
  266    HD2  HIS  33           2HD      HIS  33  -1.067   7.169   2.265
  267    HE1  HIS  33           1HE      HIS  33   2.153   9.981   2.208
  268    H    ASP  34           H        ASP  34  -4.299   8.408   5.310
  269    HA   ASP  34           HA       ASP  34  -6.544   8.225   5.528
  270    HB2  ASP  34           1HB      ASP  34  -5.570   8.722   7.708
  271    HB3  ASP  34           2HB      ASP  34  -5.922  10.432   7.474
  272    HA   PRO  35           HA       PRO  35  -8.007  11.553   2.622
  273    HB2  PRO  35           1HB      PRO  35  -9.361   9.064   1.576
  274    HB3  PRO  35           2HB      PRO  35  -8.674  10.443   0.661
  275    HG2  PRO  35           1HG      PRO  35  -7.293   8.123   0.856
  276    HG3  PRO  35           2HG      PRO  35  -6.441   9.690   1.074
  277    HD2  PRO  35           1HD      PRO  35  -7.446   7.803   3.232
  278    HD3  PRO  35           2HD      PRO  35  -5.867   8.622   3.071
  279    H    GLN  36           H        GLN  36 -10.079  12.477   2.410
  280    HA   GLN  36           HA       GLN  36 -11.830  12.066   4.665
  281    HB2  GLN  36           1HB      GLN  36 -12.988  14.020   3.892
  282    HB3  GLN  36           2HB      GLN  36 -11.247  14.280   3.792
  283    HG2  GLN  36           1HG      GLN  36 -11.334  13.846   1.329
  284    HG3  GLN  36           2HG      GLN  36 -13.074  13.586   1.440
  285   HE21  GLN  36          1HE2      GLN  36 -12.616  15.409  -0.347
  286   HE22  GLN  36          2HE2      GLN  36 -12.801  17.041   0.282
  287    H    ASP  37           H        ASP  37 -11.848  10.501   1.669
  288    HA   ASP  37           HA       ASP  37 -14.574   9.431   2.061
  289    HB2  ASP  37           1HB      ASP  37 -14.903  11.386   0.596
  290    HB3  ASP  37           2HB      ASP  37 -13.682  10.782  -0.517
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1  21.541  -2.952 -14.774
    2    H2   GLY   1           2H       GLY   1  21.916  -1.814 -15.889
    3    H3   GLY   1           3H       GLY   1  22.965  -3.033 -15.580
    4    HA2  GLY   1           1HA      GLY   1  21.835  -3.427 -17.668
    5    HA3  GLY   1           2HA      GLY   1  21.453  -4.670 -16.463
    6    H    SER   2           H        SER   2  19.893  -3.735 -18.825
    7    HA   SER   2           HA       SER   2  17.597  -2.252 -17.795
    8    HB2  SER   2           1HB      SER   2  16.736  -2.577 -20.103
    9    HB3  SER   2           2HB      SER   2  18.343  -1.832 -20.033
   10    HG   SER   2           HG       SER   2  18.216  -3.511 -21.612
   11    H    SER   3           H        SER   3  18.365  -5.653 -18.081
   12    HA   SER   3           HA       SER   3  15.713  -6.705 -18.223
   13    HB2  SER   3           1HB      SER   3  18.213  -7.976 -17.048
   14    HB3  SER   3           2HB      SER   3  16.725  -8.822 -17.517
   15    HG   SER   3           HG       SER   3  18.332  -8.912 -19.161
   16    H    GLY   4           H        GLY   4  14.244  -7.353 -16.705
   17    HA2  GLY   4           1HA      GLY   4  14.621  -7.877 -13.983
   18    HA3  GLY   4           2HA      GLY   4  14.232  -6.158 -14.086
   19    H    SER   5           H        SER   5  12.583  -7.706 -12.664
   20    HA   SER   5           HA       SER   5  10.319  -8.757 -14.133
   21    HB2  SER   5           1HB      SER   5  10.567  -7.984 -11.202
   22    HB3  SER   5           2HB      SER   5   9.275  -8.963 -11.924
   23    HG   SER   5           HG       SER   5  10.919 -10.260 -10.974
   24    H    SER   6           H        SER   6   8.121  -7.984 -14.042
   25    HA   SER   6           HA       SER   6   7.853  -5.155 -14.609
   26    HB2  SER   6           1HB      SER   6   5.484  -5.779 -15.064
   27    HB3  SER   6           2HB      SER   6   6.674  -6.746 -15.949
   28    HG   SER   6           HG       SER   6   5.015  -8.038 -15.004
   29    H    GLY   7           H        GLY   7   7.670  -6.833 -11.651
   30    HA2  GLY   7           1HA      GLY   7   7.277  -5.997  -9.514
   31    HA3  GLY   7           2HA      GLY   7   6.802  -4.455 -10.215
   32    H    ILE   8           H        ILE   8   5.163  -4.400  -8.595
   33    HA   ILE   8           HA       ILE   8   2.700  -5.954  -9.222
   34    HB   ILE   8           HB       ILE   8   2.084  -6.229  -7.052
   35   HG12  ILE   8          1HG1      ILE   8   2.859  -4.242  -5.922
   36   HG13  ILE   8          2HG1      ILE   8   3.294  -5.717  -5.097
   37   HG21  ILE   8          1HG2      ILE   8   4.935  -7.210  -7.265
   38   HG22  ILE   8          2HG2      ILE   8   3.644  -7.850  -6.225
   39   HG23  ILE   8          3HG2      ILE   8   3.491  -7.957  -7.983
   40   HD11  ILE   8          3HD1      ILE   8   5.102  -4.104  -4.917
   41   HD12  ILE   8          1HD1      ILE   8   5.658  -5.464  -5.904
   42   HD13  ILE   8          2HD1      ILE   8   5.188  -3.926  -6.672
   43    H    LYS   9           H        LYS   9   0.692  -4.951  -8.673
   44    HA   LYS   9           HA       LYS   9   0.643  -2.138  -9.408
   45    HB2  LYS   9           1HB      LYS   9  -1.726  -2.364  -9.496
   46    HB3  LYS   9           2HB      LYS   9  -0.955  -3.730 -10.298
   47    HG2  LYS   9           1HG      LYS   9  -1.405  -5.162  -8.312
   48    HG3  LYS   9           2HG      LYS   9  -2.161  -3.780  -7.487
   49    HD2  LYS   9           1HD      LYS   9  -3.828  -3.605  -9.304
   50    HD3  LYS   9           2HD      LYS   9  -3.075  -4.986 -10.130
   51    HE2  LYS   9           1HE      LYS   9  -3.560  -6.426  -8.157
   52    HE3  LYS   9           2HE      LYS   9  -4.309  -5.051  -7.333
   53    HZ1  LYS   9           3HZ      LYS   9  -5.976  -4.980  -9.114
   54    HZ2  LYS   9           1HZ      LYS   9  -5.976  -6.452  -8.412
   55    HZ3  LYS   9           2HZ      LYS   9  -5.284  -6.249  -9.875
   56    H    GLN  10           H        GLN  10   0.694  -3.693  -6.346
   57    HA   GLN  10           HA       GLN  10  -0.742  -1.694  -4.847
   58    HB2  GLN  10           1HB      GLN  10   1.163  -3.896  -3.947
   59    HB3  GLN  10           2HB      GLN  10   0.203  -2.877  -2.883
   60    HG2  GLN  10           1HG      GLN  10  -1.046  -4.802  -2.994
   61    HG3  GLN  10           2HG      GLN  10  -1.881  -3.747  -4.125
   62   HE21  GLN  10          1HE2      GLN  10  -2.530  -6.350  -4.399
   63   HE22  GLN  10          2HE2      GLN  10  -1.638  -7.091  -5.722
   64    H    HIS  11           H        HIS  11   0.136   0.284  -5.430
   65    HA   HIS  11           HA       HIS  11   2.480   1.002  -3.778
   66    HB2  HIS  11           1HB      HIS  11   3.380   2.488  -5.385
   67    HB3  HIS  11           2HB      HIS  11   3.160   0.941  -6.189
   68    HD1  HIS  11           1HD      HIS  11   1.660   4.502  -6.127
   69    HD2  HIS  11           2HD      HIS  11   1.458   0.877  -8.270
   70    HE1  HIS  11           1HE      HIS  11   0.369   5.004  -8.268
   71    H    CYS  12           H        CYS  12   2.465   3.065  -2.884
   72    HA   CYS  12           HA       CYS  12  -0.100   4.207  -2.192
   73    HB2  CYS  12           1HB      CYS  12   1.804   4.141  -0.694
   74    HB3  CYS  12           2HB      CYS  12   2.753   5.161  -1.801
   75    H    ARG  13           H        ARG  13  -1.066   5.994  -2.890
   76    HA   ARG  13           HA       ARG  13  -0.429   7.085  -5.571
   77    HB2  ARG  13           1HB      ARG  13  -2.726   6.463  -4.970
   78    HB3  ARG  13           2HB      ARG  13  -2.701   7.565  -3.591
   79    HG2  ARG  13           1HG      ARG  13  -2.553   9.508  -5.090
   80    HG3  ARG  13           2HG      ARG  13  -2.456   8.433  -6.504
   81    HD2  ARG  13           1HD      ARG  13  -4.706   7.555  -5.989
   82    HD3  ARG  13           2HD      ARG  13  -4.784   8.582  -4.541
   83    HE   ARG  13           HE       ARG  13  -4.253  10.236  -6.800
   84   HH11  ARG  13          2HH1      ARG  13  -6.933   8.366  -5.541
   85   HH12  ARG  13          1HH1      ARG  13  -8.122   9.391  -6.296
   86   HH21  ARG  13          2HH2      ARG  13  -5.821  11.502  -7.738
   87   HH22  ARG  13          1HH2      ARG  13  -7.501  11.118  -7.508
   88    H    PHE  14           H        PHE  14  -0.054   8.002  -2.231
   89    HA   PHE  14           HA       PHE  14   0.227  10.877  -2.907
   90    HB2  PHE  14           1HB      PHE  14  -0.004   9.542  -0.212
   91    HB3  PHE  14           2HB      PHE  14  -0.259  11.239  -0.584
   92    HD1  PHE  14           2HD      PHE  14  -2.240  11.798  -2.228
   93    HD2  PHE  14           1HD      PHE  14  -1.788   7.988  -0.260
   94    HE1  PHE  14           2HE      PHE  14  -4.626  11.272  -2.686
   95    HE2  PHE  14           1HE      PHE  14  -4.170   7.468  -0.712
   96    HZ   PHE  14           HZ       PHE  14  -5.590   9.105  -1.936
   97    H    CYS  15           H        CYS  15   2.172   8.261  -1.502
   98    HA   CYS  15           HA       CYS  15   4.534  10.061  -1.671
   99    HB2  CYS  15           1HB      CYS  15   5.495   9.255   0.297
  100    HB3  CYS  15           2HB      CYS  15   3.894   9.892   0.647
  101    H    LYS  16           H        LYS  16   3.241   7.515  -3.094
  102    HA   LYS  16           HA       LYS  16   3.926   5.994  -4.621
  103    HB2  LYS  16           1HB      LYS  16   6.258   7.915  -4.837
  104    HB3  LYS  16           2HB      LYS  16   5.906   6.632  -5.981
  105    HG2  LYS  16           1HG      LYS  16   5.075   8.562  -6.954
  106    HG3  LYS  16           2HG      LYS  16   3.666   7.638  -6.438
  107    HD2  LYS  16           1HD      LYS  16   3.224   9.203  -4.629
  108    HD3  LYS  16           2HD      LYS  16   4.825   9.938  -4.809
  109    HE2  LYS  16           1HE      LYS  16   3.239  11.451  -5.741
  110    HE3  LYS  16           2HE      LYS  16   4.165  10.759  -7.073
  111    HZ1  LYS  16           3HZ      LYS  16   2.274   9.254  -7.492
  112    HZ2  LYS  16           1HZ      LYS  16   1.789  10.809  -7.565
  113    HZ3  LYS  16           2HZ      LYS  16   1.427   9.915  -6.248
  114    H    LYS  17           H        LYS  17   4.885   5.434  -1.818
  115    HA   LYS  17           HA       LYS  17   7.093   3.567  -2.059
  116    HB2  LYS  17           1HB      LYS  17   4.821   3.886  -0.057
  117    HB3  LYS  17           2HB      LYS  17   6.122   2.699   0.130
  118    HG2  LYS  17           1HG      LYS  17   7.791   4.500   0.180
  119    HG3  LYS  17           2HG      LYS  17   6.517   5.697  -0.132
  120    HD2  LYS  17           1HD      LYS  17   5.402   5.005   2.017
  121    HD3  LYS  17           2HD      LYS  17   6.762   3.924   2.331
  122    HE2  LYS  17           1HE      LYS  17   6.993   6.017   3.578
  123    HE3  LYS  17           2HE      LYS  17   8.313   5.833   2.419
  124    HZ1  LYS  17           3HZ      LYS  17   7.274   7.425   0.987
  125    HZ2  LYS  17           1HZ      LYS  17   7.239   8.096   2.478
  126    HZ3  LYS  17           2HZ      LYS  17   5.879   7.437   1.819
  127    H    LYS  18           H        LYS  18   6.967   1.301  -1.985
  128    HA   LYS  18           HA       LYS  18   4.591   0.077  -3.376
  129    HB2  LYS  18           1HB      LYS  18   7.536  -0.614  -3.657
  130    HB3  LYS  18           2HB      LYS  18   6.203  -1.548  -4.354
  131    HG2  LYS  18           1HG      LYS  18   5.461   0.444  -5.637
  132    HG3  LYS  18           2HG      LYS  18   6.834   1.368  -5.016
  133    HD2  LYS  18           1HD      LYS  18   7.038  -1.169  -6.701
  134    HD3  LYS  18           2HD      LYS  18   7.187   0.487  -7.311
  135    HE2  LYS  18           1HE      LYS  18   9.136   0.865  -5.796
  136    HE3  LYS  18           2HE      LYS  18   9.023  -0.813  -5.248
  137    HZ1  LYS  18           3HZ      LYS  18  10.666  -0.570  -7.016
  138    HZ2  LYS  18           1HZ      LYS  18   9.555   0.030  -8.048
  139    HZ3  LYS  18           2HZ      LYS  18   9.451  -1.522  -7.543
  140    H    TYR  19           H        TYR  19   3.830  -1.890  -2.764
  141    HA   TYR  19           HA       TYR  19   4.760  -2.943  -0.118
  142    HB2  TYR  19           1HB      TYR  19   1.952  -2.174  -0.981
  143    HB3  TYR  19           2HB      TYR  19   2.325  -3.077   0.483
  144    HD1  TYR  19           1HD      TYR  19   2.628   0.227  -1.186
  145    HD2  TYR  19           2HD      TYR  19   3.381  -2.029   2.416
  146    HE1  TYR  19           1HE      TYR  19   3.266   2.325   0.003
  147    HE2  TYR  19           2HE      TYR  19   4.007   0.068   3.598
  148    HH   TYR  19           HH       TYR  19   4.365   2.314   3.407
  149    H    SER  20           H        SER  20   4.476  -5.078   0.327
  150    HA   SER  20           HA       SER  20   4.248  -6.895  -1.913
  151    HB2  SER  20           1HB      SER  20   4.442  -7.507   1.056
  152    HB3  SER  20           2HB      SER  20   4.766  -8.624  -0.284
  153    HG   SER  20           HG       SER  20   6.696  -7.700   0.552
  154    H    ASP  21           H        ASP  21   1.851  -5.621   0.196
  155    HA   ASP  21           HA       ASP  21  -0.170  -7.499  -0.830
  156    HB2  ASP  21           1HB      ASP  21   0.771  -8.422   1.369
  157    HB3  ASP  21           2HB      ASP  21   0.082  -7.010   2.163
  158    H    VAL  22           H        VAL  22  -2.252  -6.609  -0.907
  159    HA   VAL  22           HA       VAL  22  -2.377  -3.741  -1.042
  160    HB   VAL  22           HB       VAL  22  -3.633  -5.425  -2.440
  161   HG11  VAL  22          1HG1      VAL  22  -5.677  -5.393  -0.188
  162   HG12  VAL  22          2HG1      VAL  22  -5.819  -6.175  -1.770
  163   HG13  VAL  22          3HG1      VAL  22  -4.635  -6.778  -0.601
  164   HG21  VAL  22          3HG2      VAL  22  -5.527  -3.920  -2.810
  165   HG22  VAL  22          1HG2      VAL  22  -5.215  -3.113  -1.257
  166   HG23  VAL  22          2HG2      VAL  22  -4.026  -3.011  -2.572
  167    H    LYS  23           H        LYS  23  -3.265  -6.021   1.503
  168    HA   LYS  23           HA       LYS  23  -4.773  -4.067   3.087
  169    HB2  LYS  23           1HB      LYS  23  -3.416  -6.647   3.973
  170    HB3  LYS  23           2HB      LYS  23  -4.594  -5.721   4.896
  171    HG2  LYS  23           1HG      LYS  23  -5.131  -7.179   2.271
  172    HG3  LYS  23           2HG      LYS  23  -5.602  -7.698   3.888
  173    HD2  LYS  23           1HD      LYS  23  -7.062  -5.662   4.094
  174    HD3  LYS  23           2HD      LYS  23  -6.596  -5.193   2.453
  175    HE2  LYS  23           1HE      LYS  23  -8.720  -6.234   2.274
  176    HE3  LYS  23           2HE      LYS  23  -7.529  -7.334   1.576
  177    HZ1  LYS  23           3HZ      LYS  23  -9.111  -8.489   3.028
  178    HZ2  LYS  23           1HZ      LYS  23  -8.684  -7.579   4.310
  179    HZ3  LYS  23           2HZ      LYS  23  -7.611  -8.623   3.650
  180    H    ASN  24           H        ASN  24  -1.350  -4.958   2.886
  181    HA   ASN  24           HA       ASN  24  -0.544  -3.279   5.132
  182    HB2  ASN  24           1HB      ASN  24   1.001  -4.472   2.789
  183    HB3  ASN  24           2HB      ASN  24   1.744  -3.518   4.067
  184   HD21  ASN  24          1HD2      ASN  24   2.706  -6.029   3.693
  185   HD22  ASN  24          2HD2      ASN  24   2.186  -7.047   5.027
  186    H    LEU  25           H        LEU  25  -0.782  -2.750   1.590
  187    HA   LEU  25           HA       LEU  25   0.038  -0.015   1.583
  188    HB2  LEU  25           1HB      LEU  25  -0.126  -1.263  -0.455
  189    HB3  LEU  25           2HB      LEU  25  -1.819  -1.646  -0.179
  190    HG   LEU  25           HG       LEU  25  -2.478   0.683  -0.535
  191   HD11  LEU  25          1HD1      LEU  25  -0.416   1.862   0.231
  192   HD12  LEU  25          2HD1      LEU  25  -0.854   2.318  -1.415
  193   HD13  LEU  25          3HD1      LEU  25   0.475   1.180  -1.143
  194   HD21  LEU  25          3HD2      LEU  25  -1.958   0.800  -2.928
  195   HD22  LEU  25          1HD2      LEU  25  -2.341  -0.865  -2.449
  196   HD23  LEU  25          2HD2      LEU  25  -0.648  -0.378  -2.709
  197    H    ILE  26           H        ILE  26  -3.302  -1.388   1.949
  198    HA   ILE  26           HA       ILE  26  -4.543   1.164   2.281
  199    HB   ILE  26           HB       ILE  26  -5.408  -1.638   3.007
  200   HG12  ILE  26          1HG1      ILE  26  -6.439   0.303   0.877
  201   HG13  ILE  26          2HG1      ILE  26  -5.116  -0.803   0.558
  202   HG21  ILE  26          1HG2      ILE  26  -6.595  -0.135   4.557
  203   HG22  ILE  26          2HG2      ILE  26  -7.011   0.956   3.216
  204   HG23  ILE  26          3HG2      ILE  26  -7.711  -0.676   3.312
  205   HD11  ILE  26          3HD1      ILE  26  -7.950  -1.617   1.282
  206   HD12  ILE  26          1HD1      ILE  26  -7.136  -1.771  -0.283
  207   HD13  ILE  26          2HD1      ILE  26  -6.576  -2.738   1.097
  208    H    LYS  27           H        LYS  27  -3.203  -1.096   4.723
  209    HA   LYS  27           HA       LYS  27  -3.874   0.451   7.032
  210    HB2  LYS  27           1HB      LYS  27  -3.191  -1.916   7.060
  211    HB3  LYS  27           2HB      LYS  27  -1.555  -1.467   6.555
  212    HG2  LYS  27           1HG      LYS  27  -1.192  -0.268   8.665
  213    HG3  LYS  27           2HG      LYS  27  -2.885  -0.481   9.114
  214    HD2  LYS  27           1HD      LYS  27  -1.538  -2.069  10.358
  215    HD3  LYS  27           2HD      LYS  27  -2.588  -2.919   9.234
  216    HE2  LYS  27           1HE      LYS  27  -0.479  -4.019   9.184
  217    HE3  LYS  27           2HE      LYS  27  -0.654  -3.176   7.648
  218    HZ1  LYS  27           3HZ      LYS  27   1.562  -2.867   8.628
  219    HZ2  LYS  27           1HZ      LYS  27   0.934  -2.200   9.973
  220    HZ3  LYS  27           2HZ      LYS  27   0.814  -1.420   8.541
  221    H    HIS  28           H        HIS  28  -1.056   0.679   4.841
  222    HA   HIS  28           HA       HIS  28   0.229   2.837   6.265
  223    HB2  HIS  28           1HB      HIS  28   1.546   1.688   4.679
  224    HB3  HIS  28           2HB      HIS  28   0.342   1.826   3.411
  225    HD1  HIS  28           1HD      HIS  28   2.638   4.250   5.394
  226    HD2  HIS  28           2HD      HIS  28   0.559   3.822   1.766
  227    HE1  HIS  28           1HE      HIS  28   3.238   6.285   4.015
  228    H    ILE  29           H        ILE  29  -2.059   2.910   3.456
  229    HA   ILE  29           HA       ILE  29  -2.201   5.703   3.222
  230    HB   ILE  29           HB       ILE  29  -4.237   3.559   2.555
  231   HG12  ILE  29          1HG1      ILE  29  -2.476   5.267   0.729
  232   HG13  ILE  29          2HG1      ILE  29  -1.982   3.694   1.331
  233   HG21  ILE  29          1HG2      ILE  29  -5.508   5.649   2.857
  234   HG22  ILE  29          2HG2      ILE  29  -4.345   6.527   1.831
  235   HG23  ILE  29          3HG2      ILE  29  -5.405   5.272   1.155
  236   HD11  ILE  29          3HD1      ILE  29  -2.861   3.406  -0.888
  237   HD12  ILE  29          1HD1      ILE  29  -3.998   2.658   0.257
  238   HD13  ILE  29          2HD1      ILE  29  -4.362   4.236  -0.484
  239    H    ARG  30           H        ARG  30  -4.421   3.648   5.182
  240    HA   ARG  30           HA       ARG  30  -5.918   5.915   6.149
  241    HB2  ARG  30           1HB      ARG  30  -7.120   4.358   7.462
  242    HB3  ARG  30           2HB      ARG  30  -6.694   3.520   5.965
  243    HG2  ARG  30           1HG      ARG  30  -4.710   2.522   7.257
  244    HG3  ARG  30           2HG      ARG  30  -5.455   3.174   8.722
  245    HD2  ARG  30           1HD      ARG  30  -7.553   1.905   8.155
  246    HD3  ARG  30           2HD      ARG  30  -6.693   1.198   6.772
  247    HE   ARG  30           HE       ARG  30  -5.406   0.869   9.412
  248   HH11  ARG  30          2HH1      ARG  30  -7.590  -0.664   7.139
  249   HH12  ARG  30          1HH1      ARG  30  -7.318  -2.249   7.810
  250   HH21  ARG  30          2HH2      ARG  30  -5.158  -1.172  10.254
  251   HH22  ARG  30          1HH2      ARG  30  -5.984  -2.518   9.530
  252    H    ASP  31           H        ASP  31  -2.851   4.830   7.176
  253    HA   ASP  31           HA       ASP  31  -3.063   6.202   9.804
  254    HB2  ASP  31           1HB      ASP  31  -1.977   3.986   9.644
  255    HB3  ASP  31           2HB      ASP  31  -0.782   4.646   8.530
  256    H    ALA  32           H        ALA  32  -1.246   6.431   6.730
  257    HA   ALA  32           HA       ALA  32   0.177   8.828   7.644
  258    HB1  ALA  32           1HB      ALA  32   1.539   8.420   5.648
  259    HB2  ALA  32           2HB      ALA  32   1.337   6.928   6.589
  260    HB3  ALA  32           3HB      ALA  32   0.398   7.177   5.098
  261    H    HIS  33           H        HIS  33  -2.488   8.198   5.410
  262    HA   HIS  33           HA       HIS  33  -2.329  11.024   4.403
  263    HB2  HIS  33           1HB      HIS  33  -3.023   8.565   2.770
  264    HB3  HIS  33           2HB      HIS  33  -2.841  10.215   2.186
  265    HD1  HIS  33           1HD      HIS  33  -0.076  11.147   2.831
  266    HD2  HIS  33           2HD      HIS  33  -0.993   7.095   2.223
  267    HE1  HIS  33           1HE      HIS  33   2.119  10.026   2.190
  268    H    ASP  34           H        ASP  34  -4.487   8.244   4.924
  269    HA   ASP  34           HA       ASP  34  -6.743   8.003   4.974
  270    HB2  ASP  34           1HB      ASP  34  -6.047   8.566   7.216
  271    HB3  ASP  34           2HB      ASP  34  -6.303  10.276   6.911
  272    HA   PRO  35           HA       PRO  35  -7.685  11.492   2.055
  273    HB2  PRO  35           1HB      PRO  35  -8.123  10.134  -0.267
  274    HB3  PRO  35           2HB      PRO  35  -6.482  10.445   0.376
  275    HG2  PRO  35           1HG      PRO  35  -8.162   7.930   0.727
  276    HG3  PRO  35           2HG      PRO  35  -6.471   8.047   0.149
  277    HD2  PRO  35           1HD      PRO  35  -7.034   7.517   2.749
  278    HD3  PRO  35           2HD      PRO  35  -5.665   8.582   2.299
  279    H    GLN  36           H        GLN  36  -9.612   8.571   2.643
  280    HA   GLN  36           HA       GLN  36 -12.141  10.099   2.308
  281    HB2  GLN  36           1HB      GLN  36 -11.452   7.533   0.818
  282    HB3  GLN  36           2HB      GLN  36 -13.095   8.124   1.019
  283    HG2  GLN  36           1HG      GLN  36 -10.902   9.665  -0.434
  284    HG3  GLN  36           2HG      GLN  36 -12.074   8.611  -1.201
  285   HE21  GLN  36          1HE2      GLN  36 -11.732  11.701   0.559
  286   HE22  GLN  36          2HE2      GLN  36 -13.297  12.331   0.027
  287    H    ASP  37           H        ASP  37 -11.035   6.722   2.918
  288    HA   ASP  37           HA       ASP  37 -12.415   6.599   5.522
  289    HB2  ASP  37           1HB      ASP  37 -14.189   6.133   3.857
  290    HB3  ASP  37           2HB      ASP  37 -13.198   4.873   3.137
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1   5.108 -25.733  -4.842
    2    H2   GLY   1           2H       GLY   1   5.973 -24.800  -5.875
    3    H3   GLY   1           3H       GLY   1   4.354 -24.594  -5.747
    4    HA2  GLY   1           1HA      GLY   1   4.560 -23.829  -3.477
    5    HA3  GLY   1           2HA      GLY   1   6.313 -24.068  -3.603
    6    H    SER   2           H        SER   2   4.466 -21.640  -3.222
    7    HA   SER   2           HA       SER   2   5.621 -19.874  -5.343
    8    HB2  SER   2           1HB      SER   2   2.779 -19.761  -4.293
    9    HB3  SER   2           2HB      SER   2   3.496 -18.706  -5.525
   10    HG   SER   2           HG       SER   2   3.726 -20.509  -6.884
   11    H    SER   3           H        SER   3   6.669 -20.268  -2.685
   12    HA   SER   3           HA       SER   3   5.926 -18.173  -0.888
   13    HB2  SER   3           1HB      SER   3   7.305 -20.148  -0.276
   14    HB3  SER   3           2HB      SER   3   8.657 -19.471  -1.206
   15    HG   SER   3           HG       SER   3   8.734 -18.933   1.050
   16    H    GLY   4           H        GLY   4   6.311 -16.055  -0.881
   17    HA2  GLY   4           1HA      GLY   4   7.111 -13.952  -1.425
   18    HA3  GLY   4           2HA      GLY   4   8.444 -14.691  -2.312
   19    H    SER   5           H        SER   5   7.026 -16.179  -4.278
   20    HA   SER   5           HA       SER   5   6.479 -14.093  -6.168
   21    HB2  SER   5           1HB      SER   5   6.077 -15.923  -7.760
   22    HB3  SER   5           2HB      SER   5   7.593 -16.090  -6.861
   23    HG   SER   5           HG       SER   5   6.422 -18.060  -6.999
   24    H    SER   6           H        SER   6   4.272 -15.828  -4.081
   25    HA   SER   6           HA       SER   6   1.855 -15.090  -5.504
   26    HB2  SER   6           1HB      SER   6   2.371 -15.820  -2.602
   27    HB3  SER   6           2HB      SER   6   0.762 -15.487  -3.266
   28    HG   SER   6           HG       SER   6   1.233 -17.714  -3.308
   29    H    GLY   7           H        GLY   7   4.096 -13.077  -3.857
   30    HA2  GLY   7           1HA      GLY   7   2.313 -11.072  -2.782
   31    HA3  GLY   7           2HA      GLY   7   4.019 -10.868  -3.172
   32    H    ILE   8           H        ILE   8   1.968  -8.926  -3.600
   33    HA   ILE   8           HA       ILE   8   1.856  -8.712  -6.582
   34    HB   ILE   8           HB       ILE   8  -0.313  -7.752  -4.691
   35   HG12  ILE   8          1HG1      ILE   8  -1.596  -9.675  -6.090
   36   HG13  ILE   8          2HG1      ILE   8  -0.007 -10.417  -6.059
   37   HG21  ILE   8          1HG2      ILE   8  -0.248  -6.490  -6.786
   38   HG22  ILE   8          2HG2      ILE   8  -0.158  -8.000  -7.732
   39   HG23  ILE   8          3HG2      ILE   8  -1.622  -7.573  -6.830
   40   HD11  ILE   8          3HD1      ILE   8  -1.441 -11.172  -4.195
   41   HD12  ILE   8          1HD1      ILE   8  -0.063 -10.278  -3.533
   42   HD13  ILE   8          2HD1      ILE   8  -1.653  -9.499  -3.647
   43    H    LYS   9           H        LYS   9   1.987  -6.595  -7.448
   44    HA   LYS   9           HA       LYS   9   3.762  -4.860  -5.834
   45    HB2  LYS   9           1HB      LYS   9   4.584  -4.020  -7.960
   46    HB3  LYS   9           2HB      LYS   9   4.777  -5.754  -7.742
   47    HG2  LYS   9           1HG      LYS   9   2.878  -6.204  -9.257
   48    HG3  LYS   9           2HG      LYS   9   2.608  -4.462  -9.460
   49    HD2  LYS   9           1HD      LYS   9   4.899  -4.225 -10.404
   50    HD3  LYS   9           2HD      LYS   9   5.176  -5.949 -10.147
   51    HE2  LYS   9           1HE      LYS   9   4.663  -5.672 -12.461
   52    HE3  LYS   9           2HE      LYS   9   3.287  -6.476 -11.704
   53    HZ1  LYS   9           3HZ      LYS   9   2.137  -4.319 -11.675
   54    HZ2  LYS   9           1HZ      LYS   9   2.591  -4.683 -13.198
   55    HZ3  LYS   9           2HZ      LYS   9   3.429  -3.573 -12.348
   56    H    GLN  10           H        GLN  10   1.578  -4.210  -4.743
   57    HA   GLN  10           HA       GLN  10   0.176  -1.992  -6.055
   58    HB2  GLN  10           1HB      GLN  10   0.270  -2.963  -3.162
   59    HB3  GLN  10           2HB      GLN  10  -0.531  -1.492  -3.657
   60    HG2  GLN  10           1HG      GLN  10  -2.291  -2.952  -3.663
   61    HG3  GLN  10           2HG      GLN  10  -1.859  -2.882  -5.360
   62   HE21  GLN  10          1HE2      GLN  10  -3.195  -4.960  -5.320
   63   HE22  GLN  10          2HE2      GLN  10  -2.334  -6.436  -4.910
   64    H    HIS  11           H        HIS  11   0.354   0.233  -5.580
   65    HA   HIS  11           HA       HIS  11   2.622   1.107  -3.930
   66    HB2  HIS  11           1HB      HIS  11   3.475   2.684  -5.477
   67    HB3  HIS  11           2HB      HIS  11   3.439   1.123  -6.283
   68    HD1  HIS  11           1HD      HIS  11   1.499   4.497  -6.284
   69    HD2  HIS  11           2HD      HIS  11   2.012   0.958  -8.521
   70    HE1  HIS  11           1HE      HIS  11   0.345   4.887  -8.519
   71    H    CYS  12           H        CYS  12   2.481   3.159  -3.048
   72    HA   CYS  12           HA       CYS  12  -0.101   4.095  -2.301
   73    HB2  CYS  12           1HB      CYS  12   1.845   4.212  -0.902
   74    HB3  CYS  12           2HB      CYS  12   2.665   5.296  -2.042
   75    H    ARG  13           H        ARG  13  -1.206   5.845  -2.754
   76    HA   ARG  13           HA       ARG  13  -1.112   6.985  -5.483
   77    HB2  ARG  13           1HB      ARG  13  -3.238   6.195  -4.622
   78    HB3  ARG  13           2HB      ARG  13  -3.039   7.094  -3.123
   79    HG2  ARG  13           1HG      ARG  13  -4.702   8.148  -4.495
   80    HG3  ARG  13           2HG      ARG  13  -3.338   9.226  -4.295
   81    HD2  ARG  13           1HD      ARG  13  -2.504   8.444  -6.596
   82    HD3  ARG  13           2HD      ARG  13  -4.006   7.540  -6.750
   83    HE   ARG  13           HE       ARG  13  -5.163   9.511  -7.155
   84   HH11  ARG  13          2HH1      ARG  13  -1.977  10.449  -5.964
   85   HH12  ARG  13          1HH1      ARG  13  -2.218  12.111  -6.435
   86   HH21  ARG  13          2HH2      ARG  13  -5.381  11.649  -7.688
   87   HH22  ARG  13          1HH2      ARG  13  -4.091  12.768  -7.363
   88    H    PHE  14           H        PHE  14  -0.280   7.924  -2.253
   89    HA   PHE  14           HA       PHE  14  -0.220  10.822  -2.962
   90    HB2  PHE  14           1HB      PHE  14  -0.238   9.466  -0.263
   91    HB3  PHE  14           2HB      PHE  14  -0.448  11.180  -0.574
   92    HD1  PHE  14           2HD      PHE  14  -2.530  11.903  -1.966
   93    HD2  PHE  14           1HD      PHE  14  -2.088   7.978  -0.232
   94    HE1  PHE  14           2HE      PHE  14  -4.975  11.523  -2.193
   95    HE2  PHE  14           1HE      PHE  14  -4.531   7.603  -0.457
   96    HZ   PHE  14           HZ       PHE  14  -5.977   9.372  -1.445
   97    H    CYS  15           H        CYS  15   1.929   8.265  -1.782
   98    HA   CYS  15           HA       CYS  15   4.203  10.151  -2.096
   99    HB2  CYS  15           1HB      CYS  15   5.299   9.437  -0.155
  100    HB3  CYS  15           2HB      CYS  15   3.698  10.030   0.266
  101    H    LYS  16           H        LYS  16   2.945   7.513  -3.374
  102    HA   LYS  16           HA       LYS  16   3.605   5.866  -4.772
  103    HB2  LYS  16           1HB      LYS  16   5.951   7.718  -5.240
  104    HB3  LYS  16           2HB      LYS  16   5.415   6.425  -6.320
  105    HG2  LYS  16           1HG      LYS  16   3.177   7.529  -6.510
  106    HG3  LYS  16           2HG      LYS  16   3.790   8.895  -5.570
  107    HD2  LYS  16           1HD      LYS  16   4.913   7.938  -8.239
  108    HD3  LYS  16           2HD      LYS  16   3.815   9.306  -8.010
  109    HE2  LYS  16           1HE      LYS  16   5.509  10.422  -6.559
  110    HE3  LYS  16           2HE      LYS  16   6.623   9.075  -6.834
  111    HZ1  LYS  16           3HZ      LYS  16   6.590   9.619  -9.211
  112    HZ2  LYS  16           1HZ      LYS  16   7.076  10.915  -8.348
  113    HZ3  LYS  16           2HZ      LYS  16   5.564  10.866  -8.956
  114    H    LYS  17           H        LYS  17   4.808   5.632  -1.953
  115    HA   LYS  17           HA       LYS  17   7.009   3.790  -2.116
  116    HB2  LYS  17           1HB      LYS  17   4.735   4.187  -0.128
  117    HB3  LYS  17           2HB      LYS  17   6.030   3.010   0.125
  118    HG2  LYS  17           1HG      LYS  17   7.716   4.815   0.036
  119    HG3  LYS  17           2HG      LYS  17   6.428   5.991  -0.297
  120    HD2  LYS  17           1HD      LYS  17   5.372   5.349   1.915
  121    HD3  LYS  17           2HD      LYS  17   6.776   4.326   2.231
  122    HE2  LYS  17           1HE      LYS  17   6.963   6.484   3.384
  123    HE3  LYS  17           2HE      LYS  17   8.261   6.286   2.203
  124    HZ1  LYS  17           3HZ      LYS  17   7.098   8.518   2.197
  125    HZ2  LYS  17           1HZ      LYS  17   5.768   7.778   1.563
  126    HZ3  LYS  17           2HZ      LYS  17   7.164   7.790   0.735
  127    H    LYS  18           H        LYS  18   7.013   1.551  -1.995
  128    HA   LYS  18           HA       LYS  18   4.732   0.215  -3.413
  129    HB2  LYS  18           1HB      LYS  18   7.661  -0.555  -3.255
  130    HB3  LYS  18           2HB      LYS  18   6.396  -1.525  -4.026
  131    HG2  LYS  18           1HG      LYS  18   5.856   0.381  -5.541
  132    HG3  LYS  18           2HG      LYS  18   7.193   1.305  -4.851
  133    HD2  LYS  18           1HD      LYS  18   7.456  -1.366  -6.303
  134    HD3  LYS  18           2HD      LYS  18   7.754   0.228  -7.013
  135    HE2  LYS  18           1HE      LYS  18   9.551   0.639  -5.331
  136    HE3  LYS  18           2HE      LYS  18   9.288  -0.979  -4.667
  137    HZ1  LYS  18           3HZ      LYS  18  11.119  -0.967  -6.258
  138    HZ2  LYS  18           1HZ      LYS  18  10.159  -0.404  -7.450
  139    HZ3  LYS  18           2HZ      LYS  18   9.914  -1.900  -6.837
  140    H    TYR  19           H        TYR  19   3.727  -1.539  -2.713
  141    HA   TYR  19           HA       TYR  19   4.437  -2.732  -0.075
  142    HB2  TYR  19           1HB      TYR  19   1.762  -1.543  -0.891
  143    HB3  TYR  19           2HB      TYR  19   1.956  -2.653   0.460
  144    HD1  TYR  19           2HD      TYR  19   3.416  -2.072   2.405
  145    HD2  TYR  19           1HD      TYR  19   2.462   0.803  -0.673
  146    HE1  TYR  19           2HE      TYR  19   4.289  -0.237   3.844
  147    HE2  TYR  19           1HE      TYR  19   3.351   2.632   0.769
  148    HH   TYR  19           HH       TYR  19   4.315   3.171   2.780
  149    H    SER  20           H        SER  20   4.046  -4.860   0.162
  150    HA   SER  20           HA       SER  20   3.876  -6.421  -2.220
  151    HB2  SER  20           1HB      SER  20   3.863  -7.382   0.655
  152    HB3  SER  20           2HB      SER  20   4.336  -8.305  -0.783
  153    HG   SER  20           HG       SER  20   6.157  -7.453   0.331
  154    H    ASP  21           H        ASP  21   1.304  -5.287  -0.369
  155    HA   ASP  21           HA       ASP  21  -0.623  -7.059  -1.634
  156    HB2  ASP  21           1HB      ASP  21   0.118  -8.281   0.489
  157    HB3  ASP  21           2HB      ASP  21  -0.545  -6.937   1.413
  158    H    VAL  22           H        VAL  22  -2.773  -6.178  -1.564
  159    HA   VAL  22           HA       VAL  22  -2.939  -3.328  -1.458
  160    HB   VAL  22           HB       VAL  22  -4.307  -4.914  -2.852
  161   HG11  VAL  22          1HG1      VAL  22  -6.400  -5.780  -2.046
  162   HG12  VAL  22          2HG1      VAL  22  -5.095  -6.441  -1.049
  163   HG13  VAL  22          3HG1      VAL  22  -6.121  -5.125  -0.423
  164   HG21  VAL  22          3HG2      VAL  22  -4.773  -2.502  -2.729
  165   HG22  VAL  22          1HG2      VAL  22  -6.258  -3.447  -2.926
  166   HG23  VAL  22          2HG2      VAL  22  -5.842  -2.771  -1.339
  167    H    LYS  23           H        LYS  23  -3.691  -5.768   1.010
  168    HA   LYS  23           HA       LYS  23  -5.034  -3.910   2.822
  169    HB2  LYS  23           1HB      LYS  23  -3.589  -6.532   3.406
  170    HB3  LYS  23           2HB      LYS  23  -4.614  -5.657   4.536
  171    HG2  LYS  23           1HG      LYS  23  -5.529  -6.938   1.926
  172    HG3  LYS  23           2HG      LYS  23  -5.793  -7.551   3.561
  173    HD2  LYS  23           1HD      LYS  23  -7.073  -5.414   4.066
  174    HD3  LYS  23           2HD      LYS  23  -6.989  -5.017   2.345
  175    HE2  LYS  23           1HE      LYS  23  -8.224  -7.544   3.533
  176    HE3  LYS  23           2HE      LYS  23  -9.129  -6.109   3.050
  177    HZ1  LYS  23           3HZ      LYS  23  -8.374  -6.465   0.762
  178    HZ2  LYS  23           1HZ      LYS  23  -9.162  -7.783   1.307
  179    HZ3  LYS  23           2HZ      LYS  23  -7.536  -7.806   1.201
  180    H    ASN  24           H        ASN  24  -1.634  -4.765   2.320
  181    HA   ASN  24           HA       ASN  24  -0.663  -3.254   4.615
  182    HB2  ASN  24           1HB      ASN  24   0.740  -4.261   2.099
  183    HB3  ASN  24           2HB      ASN  24   1.548  -3.472   3.450
  184   HD21  ASN  24          1HD2      ASN  24   2.580  -5.828   2.924
  185   HD22  ASN  24          2HD2      ASN  24   2.018  -7.039   4.065
  186    H    LEU  25           H        LEU  25  -1.145  -2.487   1.141
  187    HA   LEU  25           HA       LEU  25  -0.298   0.247   1.284
  188    HB2  LEU  25           1HB      LEU  25  -0.578  -0.783  -0.855
  189    HB3  LEU  25           2HB      LEU  25  -2.235  -1.258  -0.504
  190    HG   LEU  25           HG       LEU  25  -2.988   1.072  -0.551
  191   HD11  LEU  25          1HD1      LEU  25  -1.492   2.853  -1.345
  192   HD12  LEU  25          2HD1      LEU  25  -0.103   1.736  -1.333
  193   HD13  LEU  25          3HD1      LEU  25  -0.885   2.224   0.180
  194   HD21  LEU  25          3HD2      LEU  25  -2.764   1.480  -2.912
  195   HD22  LEU  25          1HD2      LEU  25  -2.909  -0.269  -2.655
  196   HD23  LEU  25          2HD2      LEU  25  -1.321   0.465  -3.008
  197    H    ILE  26           H        ILE  26  -3.592  -1.188   1.794
  198    HA   ILE  26           HA       ILE  26  -4.835   1.319   2.346
  199    HB   ILE  26           HB       ILE  26  -5.594  -1.534   2.993
  200   HG12  ILE  26          1HG1      ILE  26  -6.851   0.510   1.094
  201   HG13  ILE  26          2HG1      ILE  26  -5.533  -0.531   0.588
  202   HG21  ILE  26          1HG2      ILE  26  -7.876  -0.659   3.556
  203   HG22  ILE  26          2HG2      ILE  26  -6.669  -0.164   4.732
  204   HG23  ILE  26          3HG2      ILE  26  -7.231   0.996   3.505
  205   HD11  ILE  26          3HD1      ILE  26  -6.888  -2.541   1.108
  206   HD12  ILE  26          1HD1      ILE  26  -8.269  -1.484   1.498
  207   HD13  ILE  26          2HD1      ILE  26  -7.598  -1.498  -0.141
  208    H    LYS  27           H        LYS  27  -3.349  -1.038   4.694
  209    HA   LYS  27           HA       LYS  27  -3.762   0.509   6.991
  210    HB2  LYS  27           1HB      LYS  27  -3.003  -1.881   6.813
  211    HB3  LYS  27           2HB      LYS  27  -1.433  -1.333   6.227
  212    HG2  LYS  27           1HG      LYS  27  -1.443  -1.964   8.609
  213    HG3  LYS  27           2HG      LYS  27  -0.942  -0.282   8.371
  214    HD2  LYS  27           1HD      LYS  27  -3.002   0.580   9.216
  215    HD3  LYS  27           2HD      LYS  27  -3.850  -0.954   8.939
  216    HE2  LYS  27           1HE      LYS  27  -3.517  -0.682  11.273
  217    HE3  LYS  27           2HE      LYS  27  -2.558  -2.043  10.660
  218    HZ1  LYS  27           3HZ      LYS  27  -1.351  -0.494  12.249
  219    HZ2  LYS  27           1HZ      LYS  27  -1.399   0.674  11.092
  220    HZ3  LYS  27           2HZ      LYS  27  -0.581  -0.707  10.824
  221    H    HIS  28           H        HIS  28  -1.070   0.723   4.615
  222    HA   HIS  28           HA       HIS  28   0.341   2.827   5.952
  223    HB2  HIS  28           1HB      HIS  28   1.437   1.651   4.206
  224    HB3  HIS  28           2HB      HIS  28   0.153   1.965   3.051
  225    HD1  HIS  28           1HD      HIS  28   2.655   4.159   5.067
  226    HD2  HIS  28           2HD      HIS  28   0.534   3.948   1.445
  227    HE1  HIS  28           1HE      HIS  28   3.351   6.206   3.746
  228    H    ILE  29           H        ILE  29  -2.287   3.023   3.471
  229    HA   ILE  29           HA       ILE  29  -2.414   5.865   3.398
  230    HB   ILE  29           HB       ILE  29  -4.513   3.753   2.819
  231   HG12  ILE  29          1HG1      ILE  29  -2.955   5.575   0.923
  232   HG13  ILE  29          2HG1      ILE  29  -2.400   3.968   1.367
  233   HG21  ILE  29          1HG2      ILE  29  -5.713   5.832   3.407
  234   HG22  ILE  29          2HG2      ILE  29  -4.672   6.760   2.301
  235   HG23  ILE  29          3HG2      ILE  29  -5.820   5.554   1.684
  236   HD11  ILE  29          3HD1      ILE  29  -3.525   3.838  -0.762
  237   HD12  ILE  29          1HD1      ILE  29  -4.503   2.982   0.450
  238   HD13  ILE  29          2HD1      ILE  29  -4.979   4.601  -0.122
  239    H    ARG  30           H        ARG  30  -4.384   3.629   5.454
  240    HA   ARG  30           HA       ARG  30  -5.722   5.827   6.731
  241    HB2  ARG  30           1HB      ARG  30  -6.740   4.256   8.193
  242    HB3  ARG  30           2HB      ARG  30  -6.764   3.671   6.538
  243    HG2  ARG  30           1HG      ARG  30  -5.746   1.803   7.060
  244    HG3  ARG  30           2HG      ARG  30  -4.404   2.622   7.858
  245    HD2  ARG  30           1HD      ARG  30  -7.079   2.096   9.202
  246    HD3  ARG  30           2HD      ARG  30  -5.706   0.992   9.291
  247    HE   ARG  30           HE       ARG  30  -4.363   2.893  10.279
  248   HH11  ARG  30          2HH1      ARG  30  -7.847   2.980  10.822
  249   HH12  ARG  30          1HH1      ARG  30  -7.637   3.980  12.235
  250   HH21  ARG  30          2HH2      ARG  30  -4.189   4.047  11.921
  251   HH22  ARG  30          1HH2      ARG  30  -5.568   4.597  12.883
  252    H    ASP  31           H        ASP  31  -2.599   4.522   7.445
  253    HA   ASP  31           HA       ASP  31  -2.526   5.880  10.089
  254    HB2  ASP  31           1HB      ASP  31  -0.579   4.080   8.614
  255    HB3  ASP  31           2HB      ASP  31  -0.188   4.917  10.108
  256    H    ALA  32           H        ALA  32  -1.182   6.343   6.805
  257    HA   ALA  32           HA       ALA  32   0.461   8.607   7.821
  258    HB1  ALA  32           1HB      ALA  32   1.562   6.655   6.748
  259    HB2  ALA  32           2HB      ALA  32   0.695   7.031   5.238
  260    HB3  ALA  32           3HB      ALA  32   1.863   8.187   5.903
  261    H    HIS  33           H        HIS  33  -2.289   8.114   5.680
  262    HA   HIS  33           HA       HIS  33  -1.990  10.932   4.672
  263    HB2  HIS  33           1HB      HIS  33  -2.954   8.506   3.125
  264    HB3  HIS  33           2HB      HIS  33  -2.860  10.157   2.521
  265    HD1  HIS  33           1HD      HIS  33  -0.059  11.129   2.854
  266    HD2  HIS  33           2HD      HIS  33  -0.990   7.076   2.271
  267    HE1  HIS  33           1HE      HIS  33   2.055  10.060   1.920
  268    H    ASP  34           H        ASP  34  -4.283   8.392   5.589
  269    HA   ASP  34           HA       ASP  34  -6.532   8.375   5.838
  270    HB2  ASP  34           1HB      ASP  34  -7.220   9.574   7.799
  271    HB3  ASP  34           2HB      ASP  34  -5.649   8.828   7.968
  272    HA   PRO  35           HA       PRO  35  -7.678  11.876   2.959
  273    HB2  PRO  35           1HB      PRO  35  -8.172  10.550   0.643
  274    HB3  PRO  35           2HB      PRO  35  -6.502  10.855   1.211
  275    HG2  PRO  35           1HG      PRO  35  -8.167   8.340   1.638
  276    HG3  PRO  35           2HG      PRO  35  -6.524   8.456   0.931
  277    HD2  PRO  35           1HD      PRO  35  -6.893   7.913   3.568
  278    HD3  PRO  35           2HD      PRO  35  -5.553   8.962   3.008
  279    H    GLN  36           H        GLN  36  -9.354   9.354   4.395
  280    HA   GLN  36           HA       GLN  36 -11.923   9.708   3.002
  281    HB2  GLN  36           1HB      GLN  36 -11.146   7.871   5.294
  282    HB3  GLN  36           2HB      GLN  36 -12.656   7.806   4.390
  283    HG2  GLN  36           1HG      GLN  36  -9.881   7.257   3.245
  284    HG3  GLN  36           2HG      GLN  36 -11.070   6.053   3.697
  285   HE21  GLN  36          1HE2      GLN  36 -10.030   6.010   1.123
  286   HE22  GLN  36          2HE2      GLN  36 -11.297   6.500   0.006
  287    H    ASP  37           H        ASP  37 -10.604  11.724   5.034
  288    HA   ASP  37           HA       ASP  37 -12.380  11.976   7.259
  289    HB2  ASP  37           1HB      ASP  37 -11.279  13.978   7.743
  290    HB3  ASP  37           2HB      ASP  37 -10.058  12.912   7.079
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  16.973  -2.303 -16.002
    2    H2   GLY   1           2H       GLY   1  18.141  -3.036 -15.120
    3    H3   GLY   1           3H       GLY   1  17.580  -1.564 -14.671
    4    HA2  GLY   1           1HA      GLY   1  16.671  -3.267 -13.233
    5    HA3  GLY   1           2HA      GLY   1  15.408  -2.452 -14.174
    6    H    SER   2           H        SER   2  15.362  -5.135 -12.984
    7    HA   SER   2           HA       SER   2  15.733  -7.175 -14.945
    8    HB2  SER   2           1HB      SER   2  13.889  -7.155 -12.528
    9    HB3  SER   2           2HB      SER   2  14.434  -8.585 -13.426
   10    HG   SER   2           HG       SER   2  15.706  -8.199 -11.545
   11    H    SER   3           H        SER   3  14.339  -8.262 -16.311
   12    HA   SER   3           HA       SER   3  12.007  -6.802 -17.305
   13    HB2  SER   3           1HB      SER   3  12.009  -8.585 -19.035
   14    HB3  SER   3           2HB      SER   3  13.554  -7.732 -18.886
   15    HG   SER   3           HG       SER   3  13.824 -10.019 -19.008
   16    H    GLY   4           H        GLY   4  12.517  -9.622 -15.273
   17    HA2  GLY   4           1HA      GLY   4   9.818 -10.695 -15.513
   18    HA3  GLY   4           2HA      GLY   4  11.051 -11.188 -14.360
   19    H    SER   5           H        SER   5   8.289 -10.871 -13.824
   20    HA   SER   5           HA       SER   5   8.336  -8.899 -11.592
   21    HB2  SER   5           1HB      SER   5   6.190  -9.153 -13.730
   22    HB3  SER   5           2HB      SER   5   5.900  -8.398 -12.155
   23    HG   SER   5           HG       SER   5   6.641  -7.055 -14.079
   24    H    SER   6           H        SER   6   7.385  -9.602  -9.758
   25    HA   SER   6           HA       SER   6   6.619 -12.399  -9.532
   26    HB2  SER   6           1HB      SER   6   6.760 -10.236  -7.407
   27    HB3  SER   6           2HB      SER   6   6.639 -11.986  -7.134
   28    HG   SER   6           HG       SER   6   8.806 -11.240  -6.993
   29    H    GLY   7           H        GLY   7   4.723 -11.412 -11.137
   30    HA2  GLY   7           1HA      GLY   7   2.405 -11.369 -11.420
   31    HA3  GLY   7           2HA      GLY   7   2.199 -11.675  -9.698
   32    H    ILE   8           H        ILE   8   0.642 -10.137  -9.305
   33    HA   ILE   8           HA       ILE   8   0.694  -7.433 -10.246
   34    HB   ILE   8           HB       ILE   8  -1.150  -6.968  -8.944
   35   HG12  ILE   8          1HG1      ILE   8  -0.631  -7.917  -6.792
   36   HG13  ILE   8          2HG1      ILE   8  -2.207  -8.371  -7.390
   37   HG21  ILE   8          1HG2      ILE   8  -2.737  -8.608  -9.769
   38   HG22  ILE   8          2HG2      ILE   8  -1.504  -8.249 -10.986
   39   HG23  ILE   8          3HG2      ILE   8  -1.440  -9.774 -10.082
   40   HD11  ILE   8          3HD1      ILE   8  -1.340 -10.660  -7.937
   41   HD12  ILE   8          1HD1      ILE   8   0.236 -10.184  -7.250
   42   HD13  ILE   8          2HD1      ILE   8  -1.199 -10.246  -6.223
   43    H    LYS   9           H        LYS   9   0.880  -5.476  -9.088
   44    HA   LYS   9           HA       LYS   9   2.663  -5.493  -6.681
   45    HB2  LYS   9           1HB      LYS   9   2.997  -3.726  -9.141
   46    HB3  LYS   9           2HB      LYS   9   3.983  -3.683  -7.675
   47    HG2  LYS   9           1HG      LYS   9   4.785  -5.994  -8.145
   48    HG3  LYS   9           2HG      LYS   9   3.792  -6.031  -9.615
   49    HD2  LYS   9           1HD      LYS   9   5.055  -4.021 -10.460
   50    HD3  LYS   9           2HD      LYS   9   6.157  -4.193  -9.073
   51    HE2  LYS   9           1HE      LYS   9   6.708  -6.502  -9.797
   52    HE3  LYS   9           2HE      LYS   9   5.538  -6.375 -11.116
   53    HZ1  LYS   9           3HZ      LYS   9   8.055  -4.821 -10.872
   54    HZ2  LYS   9           1HZ      LYS   9   6.913  -4.523 -12.007
   55    HZ3  LYS   9           2HZ      LYS   9   7.684  -5.955 -12.006
   56    H    GLN  10           H        GLN  10   2.283  -3.947  -5.194
   57    HA   GLN  10           HA       GLN  10  -0.030  -2.084  -5.600
   58    HB2  GLN  10           1HB      GLN  10   0.948  -3.723  -3.267
   59    HB3  GLN  10           2HB      GLN  10   0.244  -2.158  -2.933
   60    HG2  GLN  10           1HG      GLN  10  -1.391  -3.954  -2.768
   61    HG3  GLN  10           2HG      GLN  10  -1.844  -2.764  -3.986
   62   HE21  GLN  10          1HE2      GLN  10  -0.138  -6.001  -3.736
   63   HE22  GLN  10          2HE2      GLN  10  -0.923  -6.594  -5.194
   64    H    HIS  11           H        HIS  11   0.129   0.050  -5.003
   65    HA   HIS  11           HA       HIS  11   2.633   1.123  -3.932
   66    HB2  HIS  11           1HB      HIS  11   2.708   2.801  -5.910
   67    HB3  HIS  11           2HB      HIS  11   3.395   1.200  -6.099
   68    HD1  HIS  11           1HD      HIS  11   2.864   0.249  -8.417
   69    HD2  HIS  11           2HD      HIS  11  -0.234   2.592  -6.802
   70    HE1  HIS  11           1HE      HIS  11   0.973   0.213 -10.127
   71    H    CYS  12           H        CYS  12   2.532   3.215  -3.174
   72    HA   CYS  12           HA       CYS  12  -0.170   4.185  -2.434
   73    HB2  CYS  12           1HB      CYS  12   1.582   3.929  -0.718
   74    HB3  CYS  12           2HB      CYS  12   2.627   5.053  -1.616
   75    H    ARG  13           H        ARG  13  -1.161   5.744  -3.306
   76    HA   ARG  13           HA       ARG  13  -0.061   7.151  -5.625
   77    HB2  ARG  13           1HB      ARG  13  -2.271   7.984  -5.945
   78    HB3  ARG  13           2HB      ARG  13  -2.299   6.251  -5.675
   79    HG2  ARG  13           1HG      ARG  13  -3.080   6.631  -3.332
   80    HG3  ARG  13           2HG      ARG  13  -3.076   8.387  -3.630
   81    HD2  ARG  13           1HD      ARG  13  -4.713   8.124  -5.427
   82    HD3  ARG  13           2HD      ARG  13  -4.651   6.357  -5.266
   83    HE   ARG  13           HE       ARG  13  -5.374   7.459  -2.746
   84   HH11  ARG  13          2HH1      ARG  13  -6.824   7.135  -5.922
   85   HH12  ARG  13          1HH1      ARG  13  -8.443   7.073  -5.279
   86   HH21  ARG  13          2HH2      ARG  13  -7.496   7.304  -1.996
   87   HH22  ARG  13          1HH2      ARG  13  -8.804   7.199  -3.135
   88    H    PHE  14           H        PHE  14  -0.185   7.862  -2.280
   89    HA   PHE  14           HA       PHE  14  -0.186  10.797  -2.685
   90    HB2  PHE  14           1HB      PHE  14  -0.176   9.137  -0.161
   91    HB3  PHE  14           2HB      PHE  14  -0.405  10.874  -0.248
   92    HD1  PHE  14           2HD      PHE  14  -2.451  11.759  -1.576
   93    HD2  PHE  14           1HD      PHE  14  -2.049   7.672  -0.260
   94    HE1  PHE  14           2HE      PHE  14  -4.911  11.460  -1.747
   95    HE2  PHE  14           1HE      PHE  14  -4.509   7.383  -0.401
   96    HZ   PHE  14           HZ       PHE  14  -5.944   9.288  -1.153
   97    H    CYS  15           H        CYS  15   2.091   8.273  -1.593
   98    HA   CYS  15           HA       CYS  15   4.256  10.325  -1.560
   99    HB2  CYS  15           1HB      CYS  15   5.258   9.329   0.358
  100    HB3  CYS  15           2HB      CYS  15   3.615   9.849   0.717
  101    H    LYS  16           H        LYS  16   3.256   7.808  -3.269
  102    HA   LYS  16           HA       LYS  16   4.123   6.498  -4.874
  103    HB2  LYS  16           1HB      LYS  16   6.652   8.127  -4.816
  104    HB3  LYS  16           2HB      LYS  16   5.911   7.288  -6.173
  105    HG2  LYS  16           1HG      LYS  16   4.940   9.834  -4.822
  106    HG3  LYS  16           2HG      LYS  16   5.617   9.658  -6.435
  107    HD2  LYS  16           1HD      LYS  16   3.619   8.331  -7.130
  108    HD3  LYS  16           2HD      LYS  16   2.921   8.557  -5.510
  109    HE2  LYS  16           1HE      LYS  16   3.113  11.050  -5.833
  110    HE3  LYS  16           2HE      LYS  16   3.657  10.757  -7.488
  111    HZ1  LYS  16           3HZ      LYS  16   1.003  10.016  -6.363
  112    HZ2  LYS  16           1HZ      LYS  16   1.499   9.629  -7.884
  113    HZ3  LYS  16           2HZ      LYS  16   1.293  11.190  -7.455
  114    H    LYS  17           H        LYS  17   4.832   5.782  -2.005
  115    HA   LYS  17           HA       LYS  17   7.086   3.962  -2.169
  116    HB2  LYS  17           1HB      LYS  17   4.631   4.074  -0.361
  117    HB3  LYS  17           2HB      LYS  17   5.874   2.835  -0.216
  118    HG2  LYS  17           1HG      LYS  17   7.603   4.655   0.099
  119    HG3  LYS  17           2HG      LYS  17   6.278   5.827   0.122
  120    HD2  LYS  17           1HD      LYS  17   6.704   5.348   2.403
  121    HD3  LYS  17           2HD      LYS  17   5.244   4.420   2.004
  122    HE2  LYS  17           1HE      LYS  17   6.729   2.396   1.628
  123    HE3  LYS  17           2HE      LYS  17   8.104   3.364   2.176
  124    HZ1  LYS  17           3HZ      LYS  17   5.702   2.656   3.776
  125    HZ2  LYS  17           1HZ      LYS  17   6.902   3.647   4.315
  126    HZ3  LYS  17           2HZ      LYS  17   7.209   2.074   3.998
  127    H    LYS  18           H        LYS  18   6.880   1.657  -1.947
  128    HA   LYS  18           HA       LYS  18   4.774   0.395  -3.677
  129    HB2  LYS  18           1HB      LYS  18   7.732  -0.278  -3.553
  130    HB3  LYS  18           2HB      LYS  18   6.502  -1.266  -4.357
  131    HG2  LYS  18           1HG      LYS  18   5.904   0.653  -5.822
  132    HG3  LYS  18           2HG      LYS  18   7.185   1.621  -5.085
  133    HD2  LYS  18           1HD      LYS  18   7.612  -0.989  -6.606
  134    HD3  LYS  18           2HD      LYS  18   7.820   0.636  -7.275
  135    HE2  LYS  18           1HE      LYS  18   9.569   1.112  -5.557
  136    HE3  LYS  18           2HE      LYS  18   9.403  -0.537  -4.942
  137    HZ1  LYS  18           3HZ      LYS  18  11.245  -0.362  -6.510
  138    HZ2  LYS  18           1HZ      LYS  18  10.264   0.174  -7.697
  139    HZ3  LYS  18           2HZ      LYS  18  10.107  -1.352  -7.131
  140    H    TYR  19           H        TYR  19   3.935  -1.495  -3.068
  141    HA   TYR  19           HA       TYR  19   4.606  -2.662  -0.414
  142    HB2  TYR  19           1HB      TYR  19   1.984  -1.443  -1.307
  143    HB3  TYR  19           2HB      TYR  19   1.991  -2.777  -0.166
  144    HD1  TYR  19           2HD      TYR  19   2.975  -2.596   2.057
  145    HD2  TYR  19           1HD      TYR  19   2.845   0.794  -0.609
  146    HE1  TYR  19           2HE      TYR  19   3.635  -1.102   3.931
  147    HE2  TYR  19           1HE      TYR  19   3.522   2.291   1.278
  148    HH   TYR  19           HH       TYR  19   4.146   1.005   4.570
  149    H    SER  20           H        SER  20   3.742  -4.771  -0.039
  150    HA   SER  20           HA       SER  20   3.578  -6.461  -2.450
  151    HB2  SER  20           1HB      SER  20   3.659  -8.310  -0.759
  152    HB3  SER  20           2HB      SER  20   5.069  -7.239  -0.782
  153    HG   SER  20           HG       SER  20   4.379  -7.628   1.356
  154    H    ASP  21           H        ASP  21   1.753  -6.605   0.596
  155    HA   ASP  21           HA       ASP  21  -0.630  -7.546  -0.813
  156    HB2  ASP  21           1HB      ASP  21   0.337  -8.460   1.366
  157    HB3  ASP  21           2HB      ASP  21  -0.330  -7.032   2.158
  158    H    VAL  22           H        VAL  22  -2.640  -6.565  -0.962
  159    HA   VAL  22           HA       VAL  22  -2.701  -3.692  -1.049
  160    HB   VAL  22           HB       VAL  22  -3.989  -5.377  -2.462
  161   HG11  VAL  22          1HG1      VAL  22  -6.223  -5.991  -1.808
  162   HG12  VAL  22          2HG1      VAL  22  -5.089  -6.627  -0.606
  163   HG13  VAL  22          3HG1      VAL  22  -6.061  -5.180  -0.243
  164   HG21  VAL  22          3HG2      VAL  22  -5.431  -2.937  -1.362
  165   HG22  VAL  22          1HG2      VAL  22  -4.240  -2.970  -2.682
  166   HG23  VAL  22          2HG2      VAL  22  -5.799  -3.778  -2.886
  167    H    LYS  23           H        LYS  23  -3.623  -5.971   1.476
  168    HA   LYS  23           HA       LYS  23  -5.049  -3.996   3.100
  169    HB2  LYS  23           1HB      LYS  23  -3.688  -6.589   3.940
  170    HB3  LYS  23           2HB      LYS  23  -4.818  -5.658   4.909
  171    HG2  LYS  23           1HG      LYS  23  -5.437  -7.126   2.306
  172    HG3  LYS  23           2HG      LYS  23  -5.900  -7.620   3.924
  173    HD2  LYS  23           1HD      LYS  23  -6.928  -5.151   2.452
  174    HD3  LYS  23           2HD      LYS  23  -7.782  -6.678   2.678
  175    HE2  LYS  23           1HE      LYS  23  -7.650  -6.353   5.167
  176    HE3  LYS  23           2HE      LYS  23  -6.924  -4.764   4.894
  177    HZ1  LYS  23           3HZ      LYS  23  -8.963  -4.124   3.700
  178    HZ2  LYS  23           1HZ      LYS  23  -9.325  -4.597   5.221
  179    HZ3  LYS  23           2HZ      LYS  23  -9.625  -5.594   3.968
  180    H    ASN  24           H        ASN  24  -1.643  -4.909   2.781
  181    HA   ASN  24           HA       ASN  24  -0.743  -3.296   5.042
  182    HB2  ASN  24           1HB      ASN  24   0.751  -4.422   2.629
  183    HB3  ASN  24           2HB      ASN  24   1.507  -3.573   3.970
  184   HD21  ASN  24          1HD2      ASN  24   2.444  -6.049   3.435
  185   HD22  ASN  24          2HD2      ASN  24   1.901  -7.155   4.687
  186    H    LEU  25           H        LEU  25  -1.014  -2.726   1.505
  187    HA   LEU  25           HA       LEU  25  -0.156  -0.005   1.502
  188    HB2  LEU  25           1HB      LEU  25  -0.378  -1.237  -0.551
  189    HB3  LEU  25           2HB      LEU  25  -2.070  -1.595  -0.238
  190    HG   LEU  25           HG       LEU  25  -2.680   0.775  -0.527
  191   HD11  LEU  25          1HD1      LEU  25  -1.020   2.347  -1.492
  192   HD12  LEU  25          2HD1      LEU  25   0.269   1.146  -1.258
  193   HD13  LEU  25          3HD1      LEU  25  -0.554   1.872   0.140
  194   HD21  LEU  25          3HD2      LEU  25  -2.702  -0.778  -2.448
  195   HD22  LEU  25          1HD2      LEU  25  -1.039  -0.283  -2.849
  196   HD23  LEU  25          2HD2      LEU  25  -2.361   0.893  -2.924
  197    H    ILE  26           H        ILE  26  -3.499  -1.334   1.902
  198    HA   ILE  26           HA       ILE  26  -4.725   1.220   2.261
  199    HB   ILE  26           HB       ILE  26  -5.568  -1.598   2.951
  200   HG12  ILE  26          1HG1      ILE  26  -6.682   0.412   0.932
  201   HG13  ILE  26          2HG1      ILE  26  -5.358  -0.670   0.534
  202   HG21  ILE  26          1HG2      ILE  26  -7.187   0.962   3.338
  203   HG22  ILE  26          2HG2      ILE  26  -7.865  -0.682   3.370
  204   HG23  ILE  26          3HG2      ILE  26  -6.710  -0.199   4.604
  205   HD11  ILE  26          3HD1      ILE  26  -6.793  -2.637   1.043
  206   HD12  ILE  26          1HD1      ILE  26  -8.169  -1.532   1.293
  207   HD13  ILE  26          2HD1      ILE  26  -7.383  -1.629  -0.292
  208    H    LYS  27           H        LYS  27  -3.371  -1.041   4.695
  209    HA   LYS  27           HA       LYS  27  -4.009   0.515   7.007
  210    HB2  LYS  27           1HB      LYS  27  -3.274  -1.851   7.007
  211    HB3  LYS  27           2HB      LYS  27  -1.647  -1.352   6.521
  212    HG2  LYS  27           1HG      LYS  27  -1.454  -0.022   8.631
  213    HG3  LYS  27           2HG      LYS  27  -3.062  -0.565   9.113
  214    HD2  LYS  27           1HD      LYS  27  -0.623  -2.332   8.615
  215    HD3  LYS  27           2HD      LYS  27  -1.205  -1.841  10.200
  216    HE2  LYS  27           1HE      LYS  27  -2.775  -3.559   8.218
  217    HE3  LYS  27           2HE      LYS  27  -1.804  -4.183   9.549
  218    HZ1  LYS  27           3HZ      LYS  27  -3.250  -2.987  11.102
  219    HZ2  LYS  27           1HZ      LYS  27  -4.120  -4.027  10.198
  220    HZ3  LYS  27           2HZ      LYS  27  -4.181  -2.428   9.878
  221    H    HIS  28           H        HIS  28  -1.116   0.634   4.868
  222    HA   HIS  28           HA       HIS  28   0.202   2.789   6.198
  223    HB2  HIS  28           1HB      HIS  28   1.428   1.562   4.595
  224    HB3  HIS  28           2HB      HIS  28   0.218   1.775   3.341
  225    HD1  HIS  28           1HD      HIS  28   2.749   3.998   5.260
  226    HD2  HIS  28           2HD      HIS  28   0.463   3.814   1.738
  227    HE1  HIS  28           1HE      HIS  28   3.422   6.029   3.898
  228    H    ILE  29           H        ILE  29  -2.221   2.913   3.508
  229    HA   ILE  29           HA       ILE  29  -2.288   5.732   3.300
  230    HB   ILE  29           HB       ILE  29  -4.397   3.644   2.686
  231   HG12  ILE  29          1HG1      ILE  29  -2.700   5.357   0.808
  232   HG13  ILE  29          2HG1      ILE  29  -2.176   3.782   1.382
  233   HG21  ILE  29          1HG2      ILE  29  -4.470   6.638   2.066
  234   HG22  ILE  29          2HG2      ILE  29  -5.576   5.431   1.376
  235   HG23  ILE  29          3HG2      ILE  29  -5.609   5.746   3.098
  236   HD11  ILE  29          3HD1      ILE  29  -3.141   3.515  -0.806
  237   HD12  ILE  29          1HD1      ILE  29  -4.205   2.732   0.379
  238   HD13  ILE  29          2HD1      ILE  29  -4.642   4.310  -0.319
  239    H    ARG  30           H        ARG  30  -4.459   3.682   5.336
  240    HA   ARG  30           HA       ARG  30  -5.749   6.018   6.463
  241    HB2  ARG  30           1HB      ARG  30  -6.959   4.528   7.864
  242    HB3  ARG  30           2HB      ARG  30  -6.801   3.791   6.265
  243    HG2  ARG  30           1HG      ARG  30  -5.032   2.322   7.093
  244    HG3  ARG  30           2HG      ARG  30  -5.100   3.061   8.685
  245    HD2  ARG  30           1HD      ARG  30  -6.306   0.954   8.703
  246    HD3  ARG  30           2HD      ARG  30  -7.414   2.309   8.979
  247    HE   ARG  30           HE       ARG  30  -7.297   1.621   6.174
  248   HH11  ARG  30          2HH1      ARG  30  -8.725   0.460   9.154
  249   HH12  ARG  30          1HH1      ARG  30 -10.101  -0.231   8.338
  250   HH21  ARG  30          2HH2      ARG  30  -9.117   0.759   5.199
  251   HH22  ARG  30          1HH2      ARG  30 -10.298  -0.074   6.161
  252    H    ASP  31           H        ASP  31  -2.734   4.613   7.308
  253    HA   ASP  31           HA       ASP  31  -2.648   5.911   9.960
  254    HB2  ASP  31           1HB      ASP  31  -1.601   3.712   9.548
  255    HB3  ASP  31           2HB      ASP  31  -0.517   4.443   8.366
  256    H    ALA  32           H        ALA  32  -1.105   6.354   6.756
  257    HA   ALA  32           HA       ALA  32   0.359   8.717   7.738
  258    HB1  ALA  32           1HB      ALA  32   0.554   7.157   5.134
  259    HB2  ALA  32           2HB      ALA  32   1.697   8.381   5.724
  260    HB3  ALA  32           3HB      ALA  32   1.510   6.851   6.604
  261    H    HIS  33           H        HIS  33  -2.369   8.152   5.574
  262    HA   HIS  33           HA       HIS  33  -2.193  10.987   4.588
  263    HB2  HIS  33           1HB      HIS  33  -3.054   8.554   2.993
  264    HB3  HIS  33           2HB      HIS  33  -2.848  10.199   2.401
  265    HD1  HIS  33           1HD      HIS  33  -0.001  10.999   3.127
  266    HD2  HIS  33           2HD      HIS  33  -1.115   7.060   2.194
  267    HE1  HIS  33           1HE      HIS  33   2.136   9.826   2.417
  268    H    ASP  34           H        ASP  34  -4.401   8.276   5.209
  269    HA   ASP  34           HA       ASP  34  -6.648   8.114   5.457
  270    HB2  ASP  34           1HB      ASP  34  -5.679   8.620   7.620
  271    HB3  ASP  34           2HB      ASP  34  -5.982  10.338   7.387
  272    HA   PRO  35           HA       PRO  35  -7.911  11.643   2.668
  273    HB2  PRO  35           1HB      PRO  35  -8.810  10.197   0.526
  274    HB3  PRO  35           2HB      PRO  35  -7.079  10.568   0.797
  275    HG2  PRO  35           1HG      PRO  35  -8.578   8.037   1.582
  276    HG3  PRO  35           2HG      PRO  35  -7.049   8.161   0.656
  277    HD2  PRO  35           1HD      PRO  35  -7.033   7.711   3.318
  278    HD3  PRO  35           2HD      PRO  35  -5.827   8.808   2.579
  279    H    GLN  36           H        GLN  36  -9.999  12.363   2.078
  280    HA   GLN  36           HA       GLN  36 -12.189  11.289   3.684
  281    HB2  GLN  36           1HB      GLN  36 -13.364  13.297   3.096
  282    HB3  GLN  36           2HB      GLN  36 -11.715  13.688   3.582
  283    HG2  GLN  36           1HG      GLN  36 -11.072  13.931   1.176
  284    HG3  GLN  36           2HG      GLN  36 -12.725  13.540   0.699
  285   HE21  GLN  36          1HE2      GLN  36 -12.050  15.808  -0.374
  286   HE22  GLN  36          2HE2      GLN  36 -12.622  17.194   0.546
  287    H    ASP  37           H        ASP  37 -11.130  10.385   0.701
  288    HA   ASP  37           HA       ASP  37 -13.570  10.149  -0.839
  289    HB2  ASP  37           1HB      ASP  37 -11.393  10.392  -1.887
  290    HB3  ASP  37           2HB      ASP  37 -10.801   8.933  -1.104
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1   5.566 -15.020 -15.510
    2    H2   GLY   1           2H       GLY   1   7.130 -15.283 -15.926
    3    H3   GLY   1           3H       GLY   1   6.384 -13.891 -16.367
    4    HA2  GLY   1           1HA      GLY   1   6.993 -14.704 -13.598
    5    HA3  GLY   1           2HA      GLY   1   7.883 -13.485 -14.527
    6    H    SER   2           H        SER   2   7.083 -12.529 -12.273
    7    HA   SER   2           HA       SER   2   4.964 -10.590 -12.926
    8    HB2  SER   2           1HB      SER   2   3.759 -12.459 -11.802
    9    HB3  SER   2           2HB      SER   2   4.823 -12.276 -10.394
   10    HG   SER   2           HG       SER   2   2.828 -11.094 -10.186
   11    H    SER   3           H        SER   3   4.868  -8.839 -11.261
   12    HA   SER   3           HA       SER   3   7.540  -7.907 -10.521
   13    HB2  SER   3           1HB      SER   3   6.316  -5.893  -9.763
   14    HB3  SER   3           2HB      SER   3   5.959  -6.344 -11.435
   15    HG   SER   3           HG       SER   3   4.034  -5.891 -10.478
   16    H    GLY   4           H        GLY   4   5.009  -9.643  -8.907
   17    HA2  GLY   4           1HA      GLY   4   6.479  -9.463  -6.297
   18    HA3  GLY   4           2HA      GLY   4   4.719  -9.436  -6.373
   19    H    SER   5           H        SER   5   5.812 -11.314  -4.805
   20    HA   SER   5           HA       SER   5   6.316 -13.858  -6.097
   21    HB2  SER   5           1HB      SER   5   6.110 -14.747  -3.783
   22    HB3  SER   5           2HB      SER   5   7.248 -13.396  -3.927
   23    HG   SER   5           HG       SER   5   5.836 -13.177  -2.111
   24    H    SER   6           H        SER   6   3.413 -12.222  -5.040
   25    HA   SER   6           HA       SER   6   1.765 -14.136  -6.521
   26    HB2  SER   6           1HB      SER   6   1.740 -15.008  -4.168
   27    HB3  SER   6           2HB      SER   6   1.078 -13.450  -3.632
   28    HG   SER   6           HG       SER   6  -0.551 -15.051  -4.050
   29    H    GLY   7           H        GLY   7  -0.145 -13.161  -7.310
   30    HA2  GLY   7           1HA      GLY   7  -1.400 -11.412  -8.170
   31    HA3  GLY   7           2HA      GLY   7  -1.116 -10.560  -6.654
   32    H    ILE   8           H        ILE   8  -0.821  -8.565  -7.554
   33    HA   ILE   8           HA       ILE   8   1.685  -8.033  -9.097
   34    HB   ILE   8           HB       ILE   8  -1.013  -6.659  -9.402
   35   HG12  ILE   8          1HG1      ILE   8  -0.994  -8.824 -10.576
   36   HG13  ILE   8          2HG1      ILE   8  -1.119  -7.461 -11.663
   37   HG21  ILE   8          1HG2      ILE   8   0.083  -5.395 -11.274
   38   HG22  ILE   8          2HG2      ILE   8   0.683  -4.974  -9.675
   39   HG23  ILE   8          3HG2      ILE   8   1.651  -6.026 -10.730
   40   HD11  ILE   8          3HD1      ILE   8   0.368  -9.242 -12.529
   41   HD12  ILE   8          1HD1      ILE   8   1.226  -7.704 -12.346
   42   HD13  ILE   8          2HD1      ILE   8   1.461  -9.003 -11.156
   43    H    LYS   9           H        LYS   9   2.886  -6.281  -8.363
   44    HA   LYS   9           HA       LYS   9   2.719  -5.487  -5.638
   45    HB2  LYS   9           1HB      LYS   9   4.103  -4.152  -7.997
   46    HB3  LYS   9           2HB      LYS   9   4.354  -3.672  -6.327
   47    HG2  LYS   9           1HG      LYS   9   4.912  -6.468  -7.396
   48    HG3  LYS   9           2HG      LYS   9   6.114  -5.191  -7.309
   49    HD2  LYS   9           1HD      LYS   9   4.690  -6.429  -4.911
   50    HD3  LYS   9           2HD      LYS   9   6.317  -6.807  -5.481
   51    HE2  LYS   9           1HE      LYS   9   6.856  -4.306  -5.198
   52    HE3  LYS   9           2HE      LYS   9   5.329  -4.180  -4.310
   53    HZ1  LYS   9           3HZ      LYS   9   7.181  -4.590  -2.791
   54    HZ2  LYS   9           1HZ      LYS   9   7.622  -5.936  -3.594
   55    HZ3  LYS   9           2HZ      LYS   9   6.217  -5.916  -2.772
   56    H    GLN  10           H        GLN  10   2.178  -3.652  -4.591
   57    HA   GLN  10           HA       GLN  10  -0.024  -2.023  -5.806
   58    HB2  GLN  10           1HB      GLN  10   0.422  -2.982  -2.945
   59    HB3  GLN  10           2HB      GLN  10  -0.914  -1.976  -3.487
   60    HG2  GLN  10           1HG      GLN  10  -0.357  -4.840  -4.373
   61    HG3  GLN  10           2HG      GLN  10  -1.594  -4.325  -3.250
   62   HE21  GLN  10          1HE2      GLN  10  -1.286  -5.362  -6.342
   63   HE22  GLN  10          2HE2      GLN  10  -2.650  -4.494  -7.050
   64    H    HIS  11           H        HIS  11   0.007   0.229  -5.515
   65    HA   HIS  11           HA       HIS  11   2.532   1.323  -4.332
   66    HB2  HIS  11           1HB      HIS  11   1.215   2.272  -6.881
   67    HB3  HIS  11           2HB      HIS  11   2.776   2.758  -6.227
   68    HD1  HIS  11           1HD      HIS  11   1.889   1.075  -9.095
   69    HD2  HIS  11           2HD      HIS  11   4.087  -0.148  -5.730
   70    HE1  HIS  11           1HE      HIS  11   3.329  -0.888  -9.853
   71    H    CYS  12           H        CYS  12   2.480   3.213  -3.211
   72    HA   CYS  12           HA       CYS  12  -0.024   4.220  -2.251
   73    HB2  CYS  12           1HB      CYS  12   2.001   4.170  -0.925
   74    HB3  CYS  12           2HB      CYS  12   2.765   5.352  -2.014
   75    H    ARG  13           H        ARG  13  -1.263   5.757  -2.808
   76    HA   ARG  13           HA       ARG  13  -1.122   7.171  -5.347
   77    HB2  ARG  13           1HB      ARG  13  -3.238   6.398  -4.467
   78    HB3  ARG  13           2HB      ARG  13  -2.961   7.179  -2.919
   79    HG2  ARG  13           1HG      ARG  13  -4.644   8.373  -4.127
   80    HG3  ARG  13           2HG      ARG  13  -3.243   9.400  -3.926
   81    HD2  ARG  13           1HD      ARG  13  -2.544   8.759  -6.314
   82    HD3  ARG  13           2HD      ARG  13  -4.075   7.902  -6.449
   83    HE   ARG  13           HE       ARG  13  -5.201   9.920  -6.664
   84   HH11  ARG  13          2HH1      ARG  13  -1.940  10.703  -5.569
   85   HH12  ARG  13          1HH1      ARG  13  -2.165  12.402  -5.900
   86   HH21  ARG  13          2HH2      ARG  13  -5.396  12.095  -7.022
   87   HH22  ARG  13          1HH2      ARG  13  -4.067  13.163  -6.680
   88    H    PHE  14           H        PHE  14  -0.128   7.936  -2.111
   89    HA   PHE  14           HA       PHE  14  -0.011  10.860  -2.725
   90    HB2  PHE  14           1HB      PHE  14  -0.061   9.426  -0.078
   91    HB3  PHE  14           2HB      PHE  14  -0.220  11.155  -0.329
   92    HD1  PHE  14           2HD      PHE  14  -2.306  12.036  -1.539
   93    HD2  PHE  14           1HD      PHE  14  -1.940   7.950  -0.203
   94    HE1  PHE  14           2HE      PHE  14  -4.771  11.755  -1.703
   95    HE2  PHE  14           1HE      PHE  14  -4.404   7.678  -0.357
   96    HZ   PHE  14           HZ       PHE  14  -5.821   9.578  -1.109
   97    H    CYS  15           H        CYS  15   2.097   8.223  -1.590
   98    HA   CYS  15           HA       CYS  15   4.385  10.108  -1.812
   99    HB2  CYS  15           1HB      CYS  15   5.453   9.332   0.108
  100    HB3  CYS  15           2HB      CYS  15   3.849   9.918   0.532
  101    H    LYS  16           H        LYS  16   3.163   7.597  -3.273
  102    HA   LYS  16           HA       LYS  16   3.854   6.039  -4.757
  103    HB2  LYS  16           1HB      LYS  16   6.275   7.849  -4.966
  104    HB3  LYS  16           2HB      LYS  16   5.764   6.649  -6.156
  105    HG2  LYS  16           1HG      LYS  16   3.609   7.853  -6.467
  106    HG3  LYS  16           2HG      LYS  16   4.120   9.068  -5.292
  107    HD2  LYS  16           1HD      LYS  16   4.466   9.961  -7.480
  108    HD3  LYS  16           2HD      LYS  16   6.049   9.667  -6.745
  109    HE2  LYS  16           1HE      LYS  16   6.263   7.559  -8.045
  110    HE3  LYS  16           2HE      LYS  16   4.654   7.813  -8.735
  111    HZ1  LYS  16           3HZ      LYS  16   6.399   8.574 -10.244
  112    HZ2  LYS  16           1HZ      LYS  16   6.983   9.619  -9.136
  113    HZ3  LYS  16           2HZ      LYS  16   5.497   9.850  -9.778
  114    H    LYS  17           H        LYS  17   4.848   5.553  -1.912
  115    HA   LYS  17           HA       LYS  17   7.026   3.672  -2.085
  116    HB2  LYS  17           1HB      LYS  17   4.696   4.038  -0.156
  117    HB3  LYS  17           2HB      LYS  17   5.934   2.795   0.065
  118    HG2  LYS  17           1HG      LYS  17   7.688   4.529   0.131
  119    HG3  LYS  17           2HG      LYS  17   6.461   5.775  -0.174
  120    HD2  LYS  17           1HD      LYS  17   5.326   5.102   1.979
  121    HD3  LYS  17           2HD      LYS  17   6.650   3.978   2.282
  122    HE2  LYS  17           1HE      LYS  17   6.945   6.064   3.533
  123    HE3  LYS  17           2HE      LYS  17   8.264   5.822   2.385
  124    HZ1  LYS  17           3HZ      LYS  17   7.273   8.132   2.442
  125    HZ2  LYS  17           1HZ      LYS  17   5.908   7.520   1.746
  126    HZ3  LYS  17           2HZ      LYS  17   7.322   7.461   0.951
  127    H    LYS  18           H        LYS  18   6.895   1.391  -1.901
  128    HA   LYS  18           HA       LYS  18   4.649   0.187  -3.480
  129    HB2  LYS  18           1HB      LYS  18   7.575  -0.617  -3.645
  130    HB3  LYS  18           2HB      LYS  18   6.224  -1.255  -4.590
  131    HG2  LYS  18           1HG      LYS  18   5.872   1.162  -5.443
  132    HG3  LYS  18           2HG      LYS  18   7.436   1.538  -4.714
  133    HD2  LYS  18           1HD      LYS  18   8.530  -0.179  -6.113
  134    HD3  LYS  18           2HD      LYS  18   6.957  -0.621  -6.819
  135    HE2  LYS  18           1HE      LYS  18   6.694   1.697  -7.680
  136    HE3  LYS  18           2HE      LYS  18   8.270   2.129  -7.000
  137    HZ1  LYS  18           3HZ      LYS  18   8.447   1.561  -9.356
  138    HZ2  LYS  18           1HZ      LYS  18   7.824   0.074  -9.104
  139    HZ3  LYS  18           2HZ      LYS  18   9.282   0.469  -8.478
  140    H    TYR  19           H        TYR  19   3.774  -1.639  -2.935
  141    HA   TYR  19           HA       TYR  19   4.590  -3.054  -0.437
  142    HB2  TYR  19           1HB      TYR  19   1.842  -2.034  -1.266
  143    HB3  TYR  19           2HB      TYR  19   2.161  -3.020   0.151
  144    HD1  TYR  19           1HD      TYR  19   2.483   0.344  -1.334
  145    HD2  TYR  19           2HD      TYR  19   3.388  -2.114   2.098
  146    HE1  TYR  19           1HE      TYR  19   3.200   2.370  -0.059
  147    HE2  TYR  19           2HE      TYR  19   4.076  -0.086   3.368
  148    HH   TYR  19           HH       TYR  19   4.425   2.166   3.295
  149    H    SER  20           H        SER  20   3.943  -5.225  -0.250
  150    HA   SER  20           HA       SER  20   3.477  -6.630  -2.820
  151    HB2  SER  20           1HB      SER  20   4.270  -7.702  -0.099
  152    HB3  SER  20           2HB      SER  20   4.196  -8.626  -1.613
  153    HG   SER  20           HG       SER  20   6.317  -7.842  -1.095
  154    H    ASP  21           H        ASP  21   1.460  -5.500  -0.409
  155    HA   ASP  21           HA       ASP  21  -0.706  -7.320  -1.231
  156    HB2  ASP  21           1HB      ASP  21   0.430  -8.232   0.892
  157    HB3  ASP  21           2HB      ASP  21  -0.187  -6.804   1.722
  158    H    VAL  22           H        VAL  22  -2.697  -6.304  -1.268
  159    HA   VAL  22           HA       VAL  22  -2.708  -3.425  -1.297
  160    HB   VAL  22           HB       VAL  22  -4.072  -5.007  -2.717
  161   HG11  VAL  22          1HG1      VAL  22  -6.024  -5.004  -0.383
  162   HG12  VAL  22          2HG1      VAL  22  -6.260  -5.709  -1.991
  163   HG13  VAL  22          3HG1      VAL  22  -5.050  -6.402  -0.901
  164   HG21  VAL  22          3HG2      VAL  22  -5.922  -3.430  -2.963
  165   HG22  VAL  22          1HG2      VAL  22  -5.537  -2.695  -1.392
  166   HG23  VAL  22          2HG2      VAL  22  -4.386  -2.582  -2.744
  167    H    LYS  23           H        LYS  23  -3.536  -5.773   1.172
  168    HA   LYS  23           HA       LYS  23  -4.952  -3.930   2.941
  169    HB2  LYS  23           1HB      LYS  23  -3.490  -6.531   3.541
  170    HB3  LYS  23           2HB      LYS  23  -4.534  -5.658   4.668
  171    HG2  LYS  23           1HG      LYS  23  -6.454  -5.899   3.125
  172    HG3  LYS  23           2HG      LYS  23  -5.458  -6.797   1.985
  173    HD2  LYS  23           1HD      LYS  23  -6.174  -7.640   4.821
  174    HD3  LYS  23           2HD      LYS  23  -6.865  -8.291   3.339
  175    HE2  LYS  23           1HE      LYS  23  -3.974  -8.579   4.272
  176    HE3  LYS  23           2HE      LYS  23  -5.218  -9.829   4.298
  177    HZ1  LYS  23           3HZ      LYS  23  -3.811 -10.103   2.367
  178    HZ2  LYS  23           1HZ      LYS  23  -4.033  -8.586   1.869
  179    HZ3  LYS  23           2HZ      LYS  23  -5.292  -9.654   1.831
  180    H    ASN  24           H        ASN  24  -1.530  -4.823   2.555
  181    HA   ASN  24           HA       ASN  24  -0.597  -3.260   4.820
  182    HB2  ASN  24           1HB      ASN  24   0.845  -4.316   2.345
  183    HB3  ASN  24           2HB      ASN  24   1.635  -3.502   3.690
  184   HD21  ASN  24          1HD2      ASN  24   2.686  -5.852   3.249
  185   HD22  ASN  24          2HD2      ASN  24   2.103  -7.045   4.398
  186    H    LEU  25           H        LEU  25  -0.936  -2.565   1.313
  187    HA   LEU  25           HA       LEU  25  -0.078   0.156   1.393
  188    HB2  LEU  25           1HB      LEU  25  -0.345  -0.960  -0.712
  189    HB3  LEU  25           2HB      LEU  25  -2.024  -1.369  -0.372
  190    HG   LEU  25           HG       LEU  25  -2.698   0.985  -0.517
  191   HD11  LEU  25          1HD1      LEU  25  -0.567   2.092   0.189
  192   HD12  LEU  25          2HD1      LEU  25  -1.112   2.665  -1.383
  193   HD13  LEU  25          3HD1      LEU  25   0.225   1.497  -1.281
  194   HD21  LEU  25          3HD2      LEU  25  -1.034   0.196  -2.923
  195   HD22  LEU  25          1HD2      LEU  25  -2.421   1.294  -2.892
  196   HD23  LEU  25          2HD2      LEU  25  -2.665  -0.430  -2.560
  197    H    ILE  26           H        ILE  26  -3.417  -1.203   1.870
  198    HA   ILE  26           HA       ILE  26  -4.597   1.349   2.331
  199    HB   ILE  26           HB       ILE  26  -5.475  -1.453   3.047
  200   HG12  ILE  26          1HG1      ILE  26  -6.655   0.582   1.092
  201   HG13  ILE  26          2HG1      ILE  26  -5.344  -0.484   0.616
  202   HG21  ILE  26          1HG2      ILE  26  -6.496   0.023   4.753
  203   HG22  ILE  26          2HG2      ILE  26  -6.976   1.177   3.496
  204   HG23  ILE  26          3HG2      ILE  26  -7.722  -0.434   3.573
  205   HD11  ILE  26          3HD1      ILE  26  -7.416  -1.435  -0.116
  206   HD12  ILE  26          1HD1      ILE  26  -6.725  -2.469   1.148
  207   HD13  ILE  26          2HD1      ILE  26  -8.097  -1.393   1.522
  208    H    LYS  27           H        LYS  27  -3.299  -1.017   4.758
  209    HA   LYS  27           HA       LYS  27  -3.886   0.635   7.028
  210    HB2  LYS  27           1HB      LYS  27  -1.763  -1.495   6.529
  211    HB3  LYS  27           2HB      LYS  27  -1.946  -0.705   8.085
  212    HG2  LYS  27           1HG      LYS  27  -4.103  -2.339   6.679
  213    HG3  LYS  27           2HG      LYS  27  -3.081  -2.902   7.988
  214    HD2  LYS  27           1HD      LYS  27  -5.218  -0.736   8.121
  215    HD3  LYS  27           2HD      LYS  27  -5.308  -2.342   8.810
  216    HE2  LYS  27           1HE      LYS  27  -3.339  -0.175   9.687
  217    HE3  LYS  27           2HE      LYS  27  -4.870  -0.539  10.480
  218    HZ1  LYS  27           3HZ      LYS  27  -2.606  -2.450  10.237
  219    HZ2  LYS  27           1HZ      LYS  27  -4.042  -2.781  10.947
  220    HZ3  LYS  27           2HZ      LYS  27  -3.049  -1.664  11.595
  221    H    HIS  28           H        HIS  28  -1.138   0.791   4.769
  222    HA   HIS  28           HA       HIS  28   0.280   2.854   6.214
  223    HB2  HIS  28           1HB      HIS  28   1.500   1.674   4.576
  224    HB3  HIS  28           2HB      HIS  28   0.282   1.914   3.336
  225    HD1  HIS  28           1HD      HIS  28   2.672   4.211   5.373
  226    HD2  HIS  28           2HD      HIS  28   0.676   3.858   1.690
  227    HE1  HIS  28           1HE      HIS  28   3.405   6.209   3.999
  228    H    ILE  29           H        ILE  29  -2.135   3.091   3.515
  229    HA   ILE  29           HA       ILE  29  -2.245   5.945   3.456
  230    HB   ILE  29           HB       ILE  29  -4.316   3.841   2.733
  231   HG12  ILE  29          1HG1      ILE  29  -2.612   5.586   0.897
  232   HG13  ILE  29          2HG1      ILE  29  -2.097   3.992   1.429
  233   HG21  ILE  29          1HG2      ILE  29  -5.505   5.630   1.463
  234   HG22  ILE  29          2HG2      ILE  29  -5.531   5.942   3.182
  235   HG23  ILE  29          3HG2      ILE  29  -4.401   6.838   2.145
  236   HD11  ILE  29          3HD1      ILE  29  -3.087   3.782  -0.756
  237   HD12  ILE  29          1HD1      ILE  29  -4.150   2.986   0.422
  238   HD13  ILE  29          2HD1      ILE  29  -4.570   4.584  -0.243
  239    H    ARG  30           H        ARG  30  -4.219   3.630   5.382
  240    HA   ARG  30           HA       ARG  30  -6.023   5.334   6.619
  241    HB2  ARG  30           1HB      ARG  30  -6.099   2.924   6.184
  242    HB3  ARG  30           2HB      ARG  30  -4.636   2.693   7.144
  243    HG2  ARG  30           1HG      ARG  30  -6.256   1.828   8.344
  244    HG3  ARG  30           2HG      ARG  30  -5.885   3.348   9.135
  245    HD2  ARG  30           1HD      ARG  30  -8.202   2.981   7.187
  246    HD3  ARG  30           2HD      ARG  30  -8.394   2.619   8.892
  247    HE   ARG  30           HE       ARG  30  -8.208   5.296   7.644
  248   HH11  ARG  30          2HH1      ARG  30  -8.060   3.604  10.721
  249   HH12  ARG  30          1HH1      ARG  30  -8.574   5.007  11.613
  250   HH21  ARG  30          2HH2      ARG  30  -8.900   7.038   8.853
  251   HH22  ARG  30          1HH2      ARG  30  -9.017   6.886  10.587
  252    H    ASP  31           H        ASP  31  -2.663   4.697   7.388
  253    HA   ASP  31           HA       ASP  31  -2.821   6.134   9.985
  254    HB2  ASP  31           1HB      ASP  31  -1.599   3.988   9.786
  255    HB3  ASP  31           2HB      ASP  31  -0.509   4.718   8.613
  256    H    ALA  32           H        ALA  32  -1.136   6.450   6.826
  257    HA   ALA  32           HA       ALA  32   0.161   8.928   7.724
  258    HB1  ALA  32           1HB      ALA  32   1.581   8.562   5.773
  259    HB2  ALA  32           2HB      ALA  32   1.423   7.068   6.719
  260    HB3  ALA  32           3HB      ALA  32   0.511   7.266   5.204
  261    H    HIS  33           H        HIS  33  -2.422   8.178   5.415
  262    HA   HIS  33           HA       HIS  33  -2.373  11.014   4.425
  263    HB2  HIS  33           1HB      HIS  33  -2.876   8.579   2.702
  264    HB3  HIS  33           2HB      HIS  33  -2.634  10.237   2.177
  265    HD1  HIS  33           1HD      HIS  33   0.102  11.110   2.933
  266    HD2  HIS  33           2HD      HIS  33  -0.885   7.097   2.200
  267    HE1  HIS  33           1HE      HIS  33   2.274   9.976   2.228
  268    H    ASP  34           H        ASP  34  -4.260   8.866   6.020
  269    HA   ASP  34           HA       ASP  34  -6.543   8.443   4.754
  270    HB2  ASP  34           1HB      ASP  34  -5.771   7.598   6.951
  271    HB3  ASP  34           2HB      ASP  34  -6.350   9.076   7.711
  272    HA   PRO  35           HA       PRO  35  -8.631  12.401   4.406
  273    HB2  PRO  35           1HB      PRO  35 -10.871  11.641   3.065
  274    HB3  PRO  35           2HB      PRO  35  -9.241  11.554   2.331
  275    HG2  PRO  35           1HG      PRO  35 -10.785   9.315   3.692
  276    HG3  PRO  35           2HG      PRO  35 -10.003   9.293   2.076
  277    HD2  PRO  35           1HD      PRO  35  -8.750   8.321   4.303
  278    HD3  PRO  35           2HD      PRO  35  -7.837   9.171   3.026
  279    H    GLN  36           H        GLN  36  -9.665   9.962   6.567
  280    HA   GLN  36           HA       GLN  36 -11.237   9.727   8.132
  281    HB2  GLN  36           1HB      GLN  36 -11.106  12.753   8.319
  282    HB3  GLN  36           2HB      GLN  36 -11.741  11.654   9.547
  283    HG2  GLN  36           1HG      GLN  36  -9.510  10.576   9.750
  284    HG3  GLN  36           2HG      GLN  36  -8.851  11.715   8.569
  285   HE21  GLN  36          1HE2      GLN  36  -8.911  14.086   9.158
  286   HE22  GLN  36          2HE2      GLN  36  -8.840  14.492  10.868
  287    H    ASP  37           H        ASP  37 -12.281   9.563   5.594
  288    HA   ASP  37           HA       ASP  37 -15.136  10.331   5.944
  289    HB2  ASP  37           1HB      ASP  37 -14.088  12.042   4.523
  290    HB3  ASP  37           2HB      ASP  37 -13.460  10.797   3.449