*HEADER    TRANSCRIPTION                           26-JAN-15   2RV4              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF5) OF MOUSE IMMUNE-  
*TITLE    2 RELATED 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 PROTEIN 406;                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: ZFAT, GM922, ZFAT1, ZFP406, ZNF406;                            
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P060718-11                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV4    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:  CA CG HB2 HB3
 &rst iat=503,508,506,507, &end
#
#  chirality for residue 32 atoms:  CB SD HG2 HG3
 &rst iat=505,511,509,510, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=501,516,504,505, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=520,525,523,524, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=518,533,521,522, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=537,542,540,541, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=535,545,538,539, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=557,551,555,556, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=554,548,552,553, &end
#
#  chirality for residue 35 atoms:  CG N HD2 HD3
 &rst iat=551,547,549,550, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=547,559,558,554, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=561,576,564,565, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=580,585,583,584, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=578,588,581,582, &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=520,518,516,503, &end
#
#  trans-omega constraint for residue 34
 &rst iat=537,535,533,520, &end
#
#  trans-omega constraint for residue 35
 &rst iat=557,547,545,537, &end
#
#  trans-omega constraint for residue 36
 &rst iat=563,561,559,557, &end
#
#  trans-omega constraint for residue 37
 &rst iat=580,578,576,563, &end
#
# 8 ILE HA 8 ILE QD1 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HA 8 ILE QG1 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  79,  80,
 &end
#
# 8 ILE HA 8 ILE QG2 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=  75,  76,  77,
 &end
#
# 8 ILE HB 8 ILE QD1 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HN 8 ILE HB 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 8 ILE HN 8 ILE QG1 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=  79,  80,
 &end
#
# 8 ILE QG1 9 LYS HN 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  79,  80,
 &end
#
# 8 ILE QG2 8 ILE HG12 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  75,  76,  77,
 &end
#
# 8 ILE QG2 8 ILE HG13 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  75,  76,  77,
 &end
#
# 9 LYS HA 9 LYS QD 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=  98,  99,
 &end
#
# 9 LYS HN 9 LYS QG 5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=  95,  96,
 &end
#
# 10 GLN HA 11 HIS HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 127, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 10 GLN HA 25 LEU QQD 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 10 GLN HG2 22 VAL HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 320, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 10 GLN HG3 22 VAL HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 320, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 10 GLN QB 11 HIS HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 114, 115,
 &end
#
# 10 GLN QB 19 TYR QB 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 114, 115,
 igr2= 278, 279,
 &end
#
# 10 GLN QB 25 LEU HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 114, 115,
 &end
#
# 10 GLN QB 25 LEU QQD 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 114, 115,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 10 GLN QG 10 GLN QE2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 117, 118,
 igr2= 122, 123,
 &end
#
# 10 GLN QG 22 VAL QG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 117, 118,
 igr2= 328, 329, 330,
 &end
#
# 10 GLN QG 25 LEU QQD 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 117, 118,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 11 HIS HA 12 CYM  HB2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 149, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 11 HIS HA 12 CYM  HB3 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 11 HIS HA 12 CYM  HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 144, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &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 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 256, 257,
 &end
#
# 11 HIS HA 19 TYR HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 274, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 11 HIS HN 11 HIS QB 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 131, 132,
 &end
#
# 11 HIS QB 12 CYM  HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 16 LYS HA 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 18 LYS HA 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 131, 132,
 &end
#
# 11 HIS QB 18 LYS QG 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 131, 132,
 igr2= 259, 260,
 &end
#
# 12 CYM  HA 13 ARG QB 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 158, 159,
 &end
#
# 12 CYM  HA 25 LEU QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 379, 380, 381,
 &end
#
# 12 CYM  HA 25 LEU QD2 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 383, 384, 385,
 &end
#
# 12 CYM  HA 25 LEU QQD 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 12 CYM  HA 29 ILE QD1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 460, 461, 462,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 198, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 12 CYM  HB2 16 LYS HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 208, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 12 CYM  HB2 17 LYS HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 230, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 12 CYM  HB2 19 TYR QD 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 282, 291,
 &end
#
# 12 CYM  HB2 19 TYR QE 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 284, 289,
 &end
#
# 12 CYM  HB2 25 LEU QQD 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 443, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 12 CYM  HB3 15 CYM  HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 198, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 12 CYM  HB3 16 LYS HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 208, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 12 CYM  HB3 17 LYS HB3 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 235, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 12 CYM  HB3 17 LYS HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 230, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 12 CYM  HB3 25 LEU QQD 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 443, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 12 CYM  HN 18 LYS HA 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 254, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 12 CYM  HN 25 LEU QQD 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 13 ARG HB2 13 ARG HD2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 164, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 13 ARG HB2 13 ARG HD3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 13 ARG HB3 13 ARG HD2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 164, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 13 ARG HB3 13 ARG HD3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 165, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 14 PHE HA 14 PHE QD 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 186, 194,
 &end
#
# 14 PHE HB2 15 CYM  HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 198, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 14 PHE HB2 33 HIS HE1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 529, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 14 PHE HB3 15 CYM  HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 198, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 14 PHE HB3 33 HIS HE1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 529, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 14 PHE HN 14 PHE HB2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 14 PHE HN 14 PHE HB3 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 14 PHE HN 14 PHE QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 182, 183,
 &end
#
# 14 PHE HN 14 PHE QD 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 186, 194,
 &end
#
# 14 PHE HN 15 CYM  HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 198, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 14 PHE HN 16 LYS HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 208, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 14 PHE QB 15 CYM  HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 182, 183,
 &end
#
# 14 PHE QB 33 HIS HE1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 182, 183,
 &end
#
# 14 PHE QD 14 PHE HZ 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 186, 194,
 &end
#
# 14 PHE QD 29 ILE QD1 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 186, 194,
 igr2= 460, 461, 462,
 &end
#
# 14 PHE QD 29 ILE QG1 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 186, 194,
 igr2= 457, 458,
 &end
#
# 14 PHE QD 29 ILE QG2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 186, 194,
 igr2= 453, 454, 455,
 &end
#
# 14 PHE QD 33 HIS HD2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 186, 194,
 &end
#
# 14 PHE QE 29 ILE QD1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 188, 192,
 igr2= 460, 461, 462,
 &end
#
# 14 PHE QE 29 ILE QG2 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 188, 192,
 igr2= 453, 454, 455,
 &end
#
# 15 CYM  HB2 16 LYS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 208, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 15 CYM  HB2 33 HIS HE1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 529, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 CYM  HB3 16 LYS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 15 CYM  HB3 33 HIS HE1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 529, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 CYM  HN 16 LYS HA 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 15 CYM  HN 16 LYS HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 208, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 15 CYM  HN 33 HIS HE1 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 529, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 15 CYM  QB 16 LYS HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 203, 202,
 &end
#
# 15 CYM  QB 33 HIS HE1 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 203, 202,
 &end
#
# 16 LYS HA 16 LYS QE 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 221, 222,
 &end
#
# 16 LYS HA 16 LYS QG 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 215, 216,
 &end
#
# 16 LYS HN 16 LYS QD 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 218, 219,
 &end
#
# 16 LYS HN 16 LYS QG 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 215, 216,
 &end
#
# 16 LYS HN 17 LYS HB2 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 234, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 16 LYS HN 17 LYS HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 230, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 17 LYS HA 17 LYS HG2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 237, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 17 LYS HA 17 LYS HG3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 238, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 17 LYS HA 17 LYS QD 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 240, 241,
 &end
#
# 17 LYS HA 17 LYS QG 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 237, 238,
 &end
#
# 17 LYS HA 18 LYS HN 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 252, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 17 LYS HA 18 LYS QB 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 256, 257,
 &end
#
# 17 LYS HB2 17 LYS QD 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 240, 241,
 &end
#
# 17 LYS HB2 19 TYR QE 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 284, 289,
 &end
#
# 17 LYS HB3 17 LYS HD2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 17 LYS HB3 17 LYS HD3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 241, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 17 LYS HB3 17 LYS QD 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 240, 241,
 &end
#
# 17 LYS HB3 18 LYS QB 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 256, 257,
 &end
#
# 17 LYS HB3 19 TYR QE 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 284, 289,
 &end
#
# 17 LYS HD2 28 HIS HE1 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 440, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 17 LYS HD3 28 HIS HE1 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 440, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 17 LYS HN 17 LYS HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 234, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 17 LYS HN 17 LYS HB3 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17 LYS HN 17 LYS HG2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 237, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 17 LYS HN 17 LYS HG3 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 238, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 17 LYS HN 17 LYS QD 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 240, 241,
 &end
#
# 17 LYS QD 19 TYR QE 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 240, 241,
 igr2= 284, 289,
 &end
#
# 17 LYS QD 28 HIS HE1 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 240, 241,
 &end
#
# 17 LYS QG 18 LYS HN 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 237, 238,
 &end
#
# 17 LYS QG 19 TYR QE 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 237, 238,
 igr2= 284, 289,
 &end
#
# 18 LYS HA 19 TYR HN 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 274, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 18 LYS HA 19 TYR QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 282, 291,
 &end
#
# 18 LYS HG2 18 LYS QE 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 265, 266,
 &end
#
# 18 LYS HG3 18 LYS QE 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 265, 266,
 &end
#
# 18 LYS HN 18 LYS HG2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 18 LYS HN 18 LYS HG3 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 260, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 18 LYS HN 18 LYS QB 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 256, 257,
 &end
#
# 18 LYS HN 18 LYS QG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 259, 260,
 &end
#
# 18 LYS QB 18 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= 256, 257,
 igr2= 265, 266,
 &end
#
# 18 LYS QB 19 TYR HA 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 256, 257,
 &end
#
# 18 LYS QB 19 TYR HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 256, 257,
 &end
#
# 18 LYS QG 19 TYR HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 259, 260,
 &end
#
# 19 TYR HA 19 TYR QD 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 282, 291,
 &end
#
# 19 TYR HB2 25 LEU HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 374, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19 TYR HB2 25 LEU HB3 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 375, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 19 TYR HB3 25 LEU HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 374, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19 TYR HB3 25 LEU HB3 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 375, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 19 TYR HN 19 TYR HB2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 278, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 19 TYR HN 19 TYR HB3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 279, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 19 TYR HN 19 TYR QB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 278, 279,
 &end
#
# 19 TYR HN 19 TYR QD 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 282, 291,
 &end
#
# 19 TYR QB 25 LEU HB2 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 278, 279,
 &end
#
# 19 TYR QB 25 LEU HB3 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 278, 279,
 &end
#
# 19 TYR QB 25 LEU QQD 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 278, 279,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 19 TYR QD 24 ASN HB2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 24 ASN HB3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 24 ASN QB 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 282, 291,
 igr2= 360, 361,
 &end
#
# 19 TYR QD 25 LEU HA 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 25 LEU HB2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 282, 291,
 &end
#
# 19 TYR QD 25 LEU QQD 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 282, 291,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 19 TYR QE 24 ASN QB 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 284, 289,
 igr2= 360, 361,
 &end
#
# 19 TYR QE 25 LEU HA 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 284, 289,
 &end
#
# 19 TYR QE 25 LEU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 284, 289,
 &end
#
# 19 TYR QE 25 LEU QQD 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 284, 289,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 19 TYR QE 28 HIS HB3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 284, 289,
 &end
#
# 19 TYR QE 28 HIS HD2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 284, 289,
 &end
#
# 21 ASP HA 22 VAL QG1 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 324, 325, 326,
 &end
#
# 21 ASP QB 24 ASN HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 310, 311,
 &end
#
# 22 VAL HA 22 VAL QG1 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 324, 325, 326,
 &end
#
# 22 VAL HA 22 VAL QG2 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 328, 329, 330,
 &end
#
# 22 VAL HA 25 LEU HB2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 374, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 22 VAL HA 25 LEU HB3 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 375, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 22 VAL HA 25 LEU HG 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 377, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 22 VAL HA 25 LEU HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 370, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 22 VAL HA 25 LEU QQD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 22 VAL HA 26 ILE HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 389, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 22 VAL HB 23 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 22 VAL HB 23 LYS HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 334, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 22 VAL HB 26 ILE QD1 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 402, 403, 404,
 &end
#
# 22 VAL HN 22 VAL QG1 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 324, 325, 326,
 &end
#
# 22 VAL HN 23 LYS HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 334, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 22 VAL QG1 23 LYS HA 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS HG2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS HG3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 23 LYS QD 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 324, 325, 326,
 igr2= 344, 345,
 &end
#
# 22 VAL QG1 26 ILE HB 5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 324, 325, 326,
 &end
#
# 22 VAL QG1 26 ILE QD1 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 324, 325, 326,
 igr2= 402, 403, 404,
 &end
#
# 22 VAL QG1 26 ILE QG1 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 324, 325, 326,
 igr2= 399, 400,
 &end
#
# 22 VAL QG2 23 LYS HA 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 23 LYS HN 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 25 LEU HB3 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 25 LEU QQD 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 328, 329, 330,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 22 VAL QG2 26 ILE HA 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HB 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HG12 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HG13 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE HN 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 328, 329, 330,
 &end
#
# 22 VAL QG2 26 ILE QD1 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 328, 329, 330,
 igr2= 402, 403, 404,
 &end
#
# 22 VAL QG2 26 ILE QG1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 328, 329, 330,
 igr2= 399, 400,
 &end
#
# 23 LYS HA 23 LYS HG2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23 LYS HA 23 LYS HG3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 342, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23 LYS HA 23 LYS QD 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 344, 345,
 &end
#
# 23 LYS HA 23 LYS QG 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 341, 342,
 &end
#
# 23 LYS HA 25 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 23 LYS HA 26 ILE HB 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 393, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 23 LYS HA 26 ILE HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 389, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 23 LYS HA 26 ILE QD1 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 402, 403, 404,
 &end
#
# 23 LYS HA 26 ILE QG1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 399, 400,
 &end
#
# 23 LYS HA 26 ILE QG2 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 395, 396, 397,
 &end
#
# 23 LYS HB2 24 ASN HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 356, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 23 LYS HB3 24 ASN HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 356, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 23 LYS HG2 23 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 347, 348,
 &end
#
# 23 LYS HG3 23 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 347, 348,
 &end
#
# 23 LYS HN 23 LYS HB2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 338, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23 LYS HN 23 LYS HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23 LYS HN 23 LYS HG2 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 341, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 23 LYS HN 23 LYS HG3 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 23 LYS HN 23 LYS QB 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 338, 339,
 &end
#
# 23 LYS HN 23 LYS QD 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 344, 345,
 &end
#
# 23 LYS HN 23 LYS QG 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 341, 342,
 &end
#
# 23 LYS HN 24 ASN HN 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 356, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 23 LYS QB 23 LYS QE 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 338, 339,
 igr2= 347, 348,
 &end
#
# 23 LYS QB 24 ASN HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 338, 339,
 &end
#
# 24 ASN HA 27 LYS HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 408, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 24 ASN HA 27 LYS QB 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 412, 413,
 &end
#
# 24 ASN HB2 25 LEU HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 24 ASN HB3 25 LEU HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 370, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 24 ASN HN 24 ASN HB2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 360, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 24 ASN HN 24 ASN HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 24 ASN HN 24 ASN QB 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 360, 361,
 &end
#
# 24 ASN HN 25 LEU HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 370, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 24 ASN QB 25 LEU HN 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 360, 361,
 &end
#
# 25 LEU HA 25 LEU QD1 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 379, 380, 381,
 &end
#
# 25 LEU HA 25 LEU QD2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 383, 384, 385,
 &end
#
# 25 LEU HA 25 LEU QQD 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU HA 28 HIS HB2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 25 LEU HA 28 HIS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 430, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 25 LEU HB2 26 ILE HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 389, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 25 LEU HB3 25 LEU QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 379, 380, 381,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 383, 384, 385,
 &end
#
# 25 LEU HB3 26 ILE HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 389, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &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 HG 26 ILE HA 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 391, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 25 LEU HG 26 ILE HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 389, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 25 LEU HG 29 ILE QD1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 460, 461, 462,
 &end
#
# 25 LEU HN 25 LEU HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 25 LEU HN 25 LEU HB3 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 375, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 25 LEU HN 25 LEU QQD 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU HN 26 ILE HB 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 393, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 25 LEU HN 26 ILE HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 389, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &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 29 ILE QD1 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 379, 380, 381,
 igr2= 460, 461, 462,
 &end
#
# 25 LEU QD2 29 ILE QD1 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 383, 384, 385,
 igr2= 460, 461, 462,
 &end
#
# 25 LEU QQD 26 ILE HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU QQD 28 HIS HB2 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU QQD 28 HIS HB3 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU QQD 28 HIS HD2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU QQD 28 HIS HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU QQD 29 ILE HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 379, 380, 381, 383, 384, 385,
 &end
#
# 25 LEU QQD 29 ILE QD1 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 379, 380, 381, 383, 384, 385,
 igr2= 460, 461, 462,
 &end
#
# 25 LEU QQD 29 ILE QG1 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 379, 380, 381, 383, 384, 385,
 igr2= 457, 458,
 &end
#
# 26 ILE HA 26 ILE HG12 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 399, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 26 ILE HA 26 ILE HG13 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 400, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 26 ILE HA 26 ILE QD1 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 402, 403, 404,
 &end
#
# 26 ILE HA 26 ILE QG2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 395, 396, 397,
 &end
#
# 26 ILE HA 29 ILE HB 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 451, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26 ILE HA 29 ILE HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 447, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 26 ILE HA 29 ILE QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE HA 29 ILE QG1 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 457, 458,
 &end
#
# 26 ILE HA 29 ILE QG2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 453, 454, 455,
 &end
#
# 26 ILE HB 26 ILE QD1 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 402, 403, 404,
 &end
#
# 26 ILE HB 27 LYS HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 408, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 26 ILE HN 26 ILE HB 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 26 ILE HN 26 ILE HG12 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 399, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 ILE HN 26 ILE HG13 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 ILE HN 26 ILE QD1 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 402, 403, 404,
 &end
#
# 26 ILE HN 26 ILE QG1 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 399, 400,
 &end
#
# 26 ILE HN 26 ILE QG2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 395, 396, 397,
 &end
#
# 26 ILE HN 27 LYS HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 408, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 26 ILE QD1 29 ILE QD1 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 402, 403, 404,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE QG1 27 LYS HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 399, 400,
 &end
#
# 26 ILE QG2 26 ILE HG12 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 26 ILE HG13 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 27 LYS HA 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 27 LYS HN 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 27 LYS QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 395, 396, 397,
 igr2= 412, 413,
 &end
#
# 26 ILE QG2 29 ILE HB 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 395, 396, 397,
 &end
#
# 26 ILE QG2 29 ILE QD1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 395, 396, 397,
 igr2= 460, 461, 462,
 &end
#
# 26 ILE QG2 30 ARG QD 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 395, 396, 397,
 igr2= 476, 477,
 &end
#
# 26 ILE QG2 30 ARG QG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 395, 396, 397,
 igr2= 473, 474,
 &end
#
# 27 LYS HA 27 LYS HG2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 27 LYS HA 27 LYS HG3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 416, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 27 LYS HA 27 LYS QD 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 418, 419,
 &end
#
# 27 LYS HA 27 LYS QG 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 415, 416,
 &end
#
# 27 LYS HA 30 ARG HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 466, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 27 LYS HA 30 ARG QB 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 470, 471,
 &end
#
# 27 LYS HA 30 ARG QD 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 476, 477,
 &end
#
# 27 LYS HA 30 ARG QG 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 473, 474,
 &end
#
# 27 LYS HN 27 LYS HG2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 415, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 27 LYS HN 27 LYS HG3 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 416, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 27 LYS HN 27 LYS QB 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 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 QG 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 415, 416,
 &end
#
# 27 LYS HN 28 HIS HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 430, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 27 LYS QB 27 LYS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 418, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 412, 413,
 &end
#
# 27 LYS QB 27 LYS HD3 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 412, 413,
 &end
#
# 27 LYS QB 27 LYS HE2 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 412, 413,
 &end
#
# 27 LYS QB 27 LYS HE3 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 412, 413,
 &end
#
# 27 LYS QB 27 LYS QE 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 412, 413,
 igr2= 421, 422,
 &end
#
# 27 LYS QB 28 HIS HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 412, 413,
 &end
#
# 28 HIS HA 31 ASP HB2 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 494, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 28 HIS HA 31 ASP HB3 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 495, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 28 HIS HA 31 ASP HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 490, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 28 HIS HA 31 ASP QB 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 494, 495,
 &end
#
# 28 HIS HA 32 MET HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 502, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 28 HIS HA 32 MET QG 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 509, 510,
 &end
#
# 28 HIS HB2 29 ILE HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 447, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 28 HIS HB3 28 HIS HD2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 443, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 28 HIS HB3 29 ILE HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 447, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 28 HIS HD2 29 ILE HA 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 449, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 28 HIS HD2 29 ILE HG12 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 457, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 28 HIS HD2 29 ILE HG13 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 458, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 28 HIS HD2 29 ILE HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 447, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 28 HIS HD2 29 ILE QD1 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 460, 461, 462,
 &end
#
# 28 HIS HD2 29 ILE QG1 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 457, 458,
 &end
#
# 28 HIS HD2 29 ILE QG2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 453, 454, 455,
 &end
#
# 28 HIS HD2 33 HIS HD2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 532, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 28 HIS HE1 32 MET HB2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 506, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 28 HIS HE1 32 MET HB3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 507, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 28 HIS HE1 32 MET QE 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 513, 514, 515,
 &end
#
# 28 HIS HE1 32 MET QG 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 509, 510,
 &end
#
# 28 HIS HN 28 HIS HB2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 434, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 28 HIS HN 28 HIS HB3 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 28 HIS HN 29 ILE HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 29 ILE HA 29 ILE HG12 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 29 ILE HA 29 ILE HG13 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 458, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 29 ILE HA 29 ILE QD1 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE HA 29 ILE QG1 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 457, 458,
 &end
#
# 29 ILE HA 29 ILE QG2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 453, 454, 455,
 &end
#
# 29 ILE HA 32 MET HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 502, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 29 ILE HA 33 HIS HB2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 523, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 29 ILE HA 33 HIS HB3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 524, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 29 ILE HA 33 HIS HD2 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 532, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 29 ILE HA 33 HIS HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 29 ILE HA 33 HIS QB 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 523, 524,
 &end
#
# 29 ILE HB 29 ILE QD1 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE HB 30 ARG HN 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 466, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 29 ILE HB 33 HIS HD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 532, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 29 ILE HG12 33 HIS HD2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 532, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 29 ILE HG13 33 HIS HD2 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 532, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 29 ILE HN 29 ILE HB 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 29 ILE HN 29 ILE HG12 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 457, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 29 ILE HN 29 ILE HG13 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 458, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 29 ILE HN 29 ILE QD1 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE HN 29 ILE QG1 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 457, 458,
 &end
#
# 29 ILE HN 29 ILE QG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 453, 454, 455,
 &end
#
# 29 ILE HN 30 ARG HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 29 ILE QD1 33 HIS HD2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 460, 461, 462,
 &end
#
# 29 ILE QG1 33 HIS HD2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 457, 458,
 &end
#
# 29 ILE QG2 29 ILE HG12 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 29 ILE HG13 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 29 ILE QD1 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 453, 454, 455,
 igr2= 460, 461, 462,
 &end
#
# 29 ILE QG2 29 ILE QG1 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 453, 454, 455,
 igr2= 457, 458,
 &end
#
# 29 ILE QG2 30 ARG HA 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 30 ARG HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HB2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HB3 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HD2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 33 HIS QB 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 453, 454, 455,
 igr2= 523, 524,
 &end
#
# 29 ILE QG2 35 PRO HD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 453, 454, 455,
 &end
#
# 29 ILE QG2 35 PRO HD3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 453, 454, 455,
 &end
#
# 30 ARG HA 30 ARG HG2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 30 ARG HA 30 ARG HG3 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 474, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 30 ARG HA 30 ARG QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 476, 477,
 &end
#
# 30 ARG HA 30 ARG QG 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 473, 474,
 &end
#
# 30 ARG HA 34 ASP HB2 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 540, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 30 ARG HA 34 ASP HB3 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 541, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 30 ARG HA 34 ASP QB 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 540, 541,
 &end
#
# 30 ARG HN 30 ARG HG2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 30 ARG HN 30 ARG HG3 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 474, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 30 ARG HN 30 ARG QB 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 470, 471,
 &end
#
# 30 ARG HN 30 ARG QG 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 473, 474,
 &end
#
# 30 ARG HN 31 ASP HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 490, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 30 ARG QB 30 ARG QD 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 470, 471,
 igr2= 476, 477,
 &end
#
# 30 ARG QB 31 ASP HA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 470, 471,
 &end
#
# 30 ARG QB 31 ASP HN 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 470, 471,
 &end
#
# 31 ASP HB2 32 MET HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 31 ASP HB3 32 MET HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 502, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 31 ASP HN 31 ASP HB2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 494, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 31 ASP HN 31 ASP HB3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 495, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 31 ASP HN 31 ASP QB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 494, 495,
 &end
#
# 31 ASP HN 32 MET HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 502, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 31 ASP QB 32 MET HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 494, 495,
 &end
#
# 31 ASP QB 32 MET QG 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 494, 495,
 igr2= 509, 510,
 &end
#
# 32 MET HA 32 MET QE 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 513, 514, 515,
 &end
#
# 32 MET HB2 32 MET QE 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 513, 514, 515,
 &end
#
# 32 MET HB3 32 MET QE 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 513, 514, 515,
 &end
#
# 32 MET HN 32 MET HB2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 506, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 32 MET HN 32 MET HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 32 MET HN 32 MET HG2 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 509, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 32 MET HN 32 MET HG3 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 510, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 32 MET HN 32 MET QB 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 506, 507,
 &end
#
# 32 MET HN 32 MET QG 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 509, 510,
 &end
#
# 32 MET HN 33 HIS HN 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 519, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 32 MET QB 32 MET QE 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 506, 507,
 igr2= 513, 514, 515,
 &end
#
# 32 MET QB 33 HIS HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 506, 507,
 &end
#
# 33 HIS HB2 34 ASP HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 536, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 33 HIS HB3 34 ASP HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 536, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 33 HIS HN 33 HIS HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 33 HIS HN 33 HIS HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 524, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 33 HIS HN 33 HIS QB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 523, 524,
 &end
#
# 33 HIS HN 34 ASP HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 536, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 33 HIS QB 34 ASP HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 523, 524,
 &end
#
# 34 ASP HN 34 ASP HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 34 ASP HN 34 ASP HB3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 541, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 34 ASP HN 34 ASP QB 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 540, 541,
 &end
#
# 34 ASP QB 35 PRO QD 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 540, 541,
 igr2= 549, 550,
 &end
#
# 35 PRO HA 36 GLN HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 36 GLN HA 36 GLN QG 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 569, 570,
 &end
#
# 36 GLN HN 36 GLN QB 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 566, 567,
 &end
#
# 36 GLN HN 36 GLN QG 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 569, 570,
 &end
#
# 36 GLN HN 37 ASP HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 579, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
# 591 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
# 11 HIS PHI:  (10 GLN C)-(11 HID N)-(11 HID CA)-(11 HID C) -136.0 -76.0
 &rst     iat =   124,   126,   128,   141,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end
# 11 HIS PSI:  (11 HID N)-(11 HID CA)-(11 HID C)-(12 CYM N)  93.0 153.0
 &rst     iat =   126,   128,   141,   143,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end
# 12 CYS CHI1:  (12 CYM N)-(12 CYM CA)-(12 CYM CB)-(12 CYM SG) 150.0 210.0
 &rst     iat =   143,   145,   147,   150,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &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) 107.0 167.0
 &rst     iat =   251,   253,   271,   273,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end
# 19 TYR PHI:  (18 LYS C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -139.0 -79.0
 &rst     iat =   271,   273,   275,   292,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 SER N) 110.0 170.0
 &rst     iat =   273,   275,   292,   294,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end
# 23 LYS PHI:  (22 VAL C)-(23 LYS N)-(23 LYS CA)-(23 LYS C) -94.6 -34.6
 &rst     iat =   331,   333,   335,   353,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end
# 23 LYS PSI:  (23 LYS N)-(23 LYS CA)-(23 LYS C)-(24 ASN N) -66.2  -6.2
 &rst     iat =   333,   335,   353,   355,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end
# 24 ASN PHI:  (23 LYS C)-(24 ASN N)-(24 ASN CA)-(24 ASN C) -95.6 -35.6
 &rst     iat =   353,   355,   357,   367,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end
# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 LEU N) -69.5  -9.5
 &rst     iat =   355,   357,   367,   369,
   r1 = -70.5, r2 = -69.5, r3 =  -9.5, r4 =  -8.5,
 &end
# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) 150.0 210.0
 &rst     iat =   369,   371,   373,   376,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 25 LEU PHI:  (24 ASN C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -97.1 -37.1
 &rst     iat =   367,   369,   371,   386,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 ILE N) -71.1 -11.1
 &rst     iat =   369,   371,   386,   388,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end
# 26 ILE PHI:  (25 LEU C)-(26 ILE N)-(26 ILE CA)-(26 ILE C) -96.3 -36.3
 &rst     iat =   386,   388,   390,   405,
   r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
 &end
# 26 ILE PSI:  (26 ILE N)-(26 ILE CA)-(26 ILE C)-(27 LYS N) -71.8 -11.8
 &rst     iat =   388,   390,   405,   407,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end
# 27 LYS PHI:  (26 ILE C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -93.8 -33.8
 &rst     iat =   405,   407,   409,   427,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end
# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 HID N) -71.3 -11.3
 &rst     iat =   407,   409,   427,   429,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end
# 28 HIS PHI:  (27 LYS C)-(28 HID N)-(28 HID CA)-(28 HID C) -94.9 -34.9
 &rst     iat =   427,   429,   431,   444,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 ILE N) -74.8 -14.8
 &rst     iat =   429,   431,   444,   446,
   r1 = -75.8, r2 = -74.8, r3 = -14.8, r4 = -13.8,
 &end
# 29 ILE PHI:  (28 HID C)-(29 ILE N)-(29 ILE CA)-(29 ILE C) -95.2 -35.2
 &rst     iat =   444,   446,   448,   463,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end
# 29 ILE PSI:  (29 ILE N)-(29 ILE CA)-(29 ILE C)-(30 ARG N) -67.6  -7.6
 &rst     iat =   446,   448,   463,   465,
   r1 = -68.6, r2 = -67.6, r3 =  -7.6, r4 =  -6.6,
 &end
# 30 ARG PHI:  (29 ILE C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -95.0 -35.0
 &rst     iat =   463,   465,   467,   487,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 ASP N) -66.6  -6.6
 &rst     iat =   465,   467,   487,   489,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end
# 31 ASP PHI:  (30 ARG C)-(31 ASP N)-(31 ASP CA)-(31 ASP C) -102.0 -42.0
 &rst     iat =   487,   489,   491,   499,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end
# 31 ASP PSI:  (31 ASP N)-(31 ASP CA)-(31 ASP C)-(32 MET N) -57.0   3.0
 &rst     iat =   489,   491,   499,   501,
   r1 = -58.0, r2 = -57.0, r3 =   3.0, r4 =   4.0,
 &end
# 32 MET CHI1:  (32 MET N)-(32 MET CA)-(32 MET CB)-(32 MET CG) -90.0 -30.0
 &rst     iat =   501,   503,   505,   508,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 32 MET PHI:  (31 ASP C)-(32 MET N)-(32 MET CA)-(32 MET C) -111.9 -51.9
 &rst     iat =   499,   501,   503,   516,
   r1 = -112.9, r2 = -111.9, r3 = -51.9, r4 = -50.9,
 &end
# 32 MET PSI:  (32 MET N)-(32 MET CA)-(32 MET C)-(33 HID N) -48.9  11.1
 &rst     iat =   501,   503,   516,   518,
   r1 = -49.9, r2 = -48.9, r3 =  11.1, r4 =  12.1,
 &end
# 33 HIS CHI1:  (33 HID N)-(33 HID CA)-(33 HID CB)-(33 HID CG) -90.0 -30.0
 &rst     iat =   518,   520,   522,   525,
   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, 530, 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, 591, 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, 591, 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, 530, 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, 591, 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, 591, 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, 530, 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, 591, 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= 530, 591, 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 -24.263 -12.119  -3.669
    2    H2   GLY   1           2H       GLY   1 -22.834 -12.049  -4.468
    3    H3   GLY   1           3H       GLY   1 -24.132 -12.753  -5.173
    4    HA2  GLY   1           1HA      GLY   1 -25.305 -10.656  -5.271
    5    HA3  GLY   1           2HA      GLY   1 -23.910  -9.892  -4.487
    6    H    SER   2           H        SER   2 -25.121  -9.311  -7.125
    7    HA   SER   2           HA       SER   2 -23.357 -10.333  -9.198
    8    HB2  SER   2           1HB      SER   2 -24.627  -8.756 -10.634
    9    HB3  SER   2           2HB      SER   2 -25.661  -9.845  -9.694
   10    HG   SER   2           HG       SER   2 -26.396  -7.660  -9.626
   11    H    SER   3           H        SER   3 -23.165  -7.601  -7.056
   12    HA   SER   3           HA       SER   3 -20.584  -6.794  -8.221
   13    HB2  SER   3           1HB      SER   3 -22.350  -5.425  -9.393
   14    HB3  SER   3           2HB      SER   3 -22.799  -4.745  -7.817
   15    HG   SER   3           HG       SER   3 -21.266  -3.450  -8.982
   16    H    GLY   4           H        GLY   4 -19.353  -5.407  -6.787
   17    HA2  GLY   4           1HA      GLY   4 -20.071  -4.514  -4.231
   18    HA3  GLY   4           2HA      GLY   4 -19.474  -6.161  -4.010
   19    H    SER   5           H        SER   5 -18.178  -4.165  -2.762
   20    HA   SER   5           HA       SER   5 -15.973  -3.051  -4.275
   21    HB2  SER   5           1HB      SER   5 -16.447  -3.045  -1.278
   22    HB3  SER   5           2HB      SER   5 -15.325  -2.008  -2.184
   23    HG   SER   5           HG       SER   5 -17.324  -0.956  -1.740
   24    H    SER   6           H        SER   6 -15.815  -5.815  -4.548
   25    HA   SER   6           HA       SER   6 -13.952  -7.022  -2.686
   26    HB2  SER   6           1HB      SER   6 -14.790  -7.910  -5.471
   27    HB3  SER   6           2HB      SER   6 -13.939  -8.896  -4.265
   28    HG   SER   6           HG       SER   6 -16.207  -9.273  -4.242
   29    H    GLY   7           H        GLY   7 -11.790  -7.567  -2.957
   30    HA2  GLY   7           1HA      GLY   7  -9.666  -7.633  -3.810
   31    HA3  GLY   7           2HA      GLY   7 -10.324  -7.202  -5.386
   32    H    ILE   8           H        ILE   8 -11.010  -4.815  -2.993
   33    HA   ILE   8           HA       ILE   8  -9.326  -2.885  -4.338
   34    HB   ILE   8           HB       ILE   8 -10.257  -1.252  -2.782
   35   HG12  ILE   8          1HG1      ILE   8 -11.703  -3.581  -1.436
   36   HG13  ILE   8          2HG1      ILE   8 -10.351  -2.687  -0.744
   37   HG21  ILE   8          1HG2      ILE   8 -12.396  -3.109  -3.902
   38   HG22  ILE   8          2HG2      ILE   8 -12.538  -1.365  -3.600
   39   HG23  ILE   8          3HG2      ILE   8 -11.443  -1.953  -4.852
   40   HD11  ILE   8          3HD1      ILE   8 -12.391  -1.857   0.217
   41   HD12  ILE   8          1HD1      ILE   8 -11.702  -0.592  -0.818
   42   HD13  ILE   8          2HD1      ILE   8 -13.098  -1.550  -1.375
   43    H    LYS   9           H        LYS   9  -8.614  -4.945  -1.710
   44    HA   LYS   9           HA       LYS   9  -6.857  -3.163  -0.242
   45    HB2  LYS   9           1HB      LYS   9  -7.000  -6.200  -0.079
   46    HB3  LYS   9           2HB      LYS   9  -6.276  -5.087   1.086
   47    HG2  LYS   9           1HG      LYS   9  -8.704  -4.005   1.128
   48    HG3  LYS   9           2HG      LYS   9  -9.206  -5.566   0.472
   49    HD2  LYS   9           1HD      LYS   9  -8.212  -6.716   2.442
   50    HD3  LYS   9           2HD      LYS   9  -7.628  -5.156   3.053
   51    HE2  LYS   9           1HE      LYS   9 -10.136  -4.408   2.872
   52    HE3  LYS   9           2HE      LYS   9 -10.492  -6.139   2.794
   53    HZ1  LYS   9           3HZ      LYS   9  -9.264  -6.342   4.945
   54    HZ2  LYS   9           1HZ      LYS   9 -10.563  -5.355   5.079
   55    HZ3  LYS   9           2HZ      LYS   9  -9.067  -4.706   4.975
   56    H    GLN  10           H        GLN  10  -4.616  -3.307   0.042
   57    HA   GLN  10           HA       GLN  10  -3.112  -4.083  -2.432
   58    HB2  GLN  10           1HB      GLN  10  -2.855  -1.473  -0.894
   59    HB3  GLN  10           2HB      GLN  10  -2.008  -1.927  -2.373
   60    HG2  GLN  10           1HG      GLN  10  -4.992  -1.380  -2.102
   61    HG3  GLN  10           2HG      GLN  10  -3.796  -0.330  -2.833
   62   HE21  GLN  10          1HE2      GLN  10  -6.284  -1.892  -3.889
   63   HE22  GLN  10          2HE2      GLN  10  -5.643  -2.586  -5.379
   64    H    HIS  11           H        HIS  11  -0.747  -4.107  -2.172
   65    HA   HIS  11           HA       HIS  11   0.176  -4.680   0.594
   66    HB2  HIS  11           1HB      HIS  11   1.357  -6.624  -0.089
   67    HB3  HIS  11           2HB      HIS  11  -0.318  -6.811  -0.587
   68    HD1  HIS  11           1HD      HIS  11  -0.752  -6.777  -3.301
   69    HD2  HIS  11           2HD      HIS  11   3.240  -6.488  -2.004
   70    HE1  HIS  11           1HE      HIS  11   0.696  -7.133  -5.365
   71    H    CYS  12           H        CYS  12   2.297  -4.278   1.076
   72    HA   CYS  12           HA       CYS  12   3.713  -2.259  -0.482
   73    HB2  CYS  12           1HB      CYS  12   3.638  -2.242   1.969
   74    HB3  CYS  12           2HB      CYS  12   4.439  -3.830   2.015
   75    H    ARG  13           H        ARG  13   5.169  -2.582  -1.993
   76    HA   ARG  13           HA       ARG  13   5.958  -5.301  -2.745
   77    HB2  ARG  13           1HB      ARG  13   5.323  -3.182  -4.254
   78    HB3  ARG  13           2HB      ARG  13   7.038  -2.824  -4.093
   79    HG2  ARG  13           1HG      ARG  13   6.690  -4.032  -6.136
   80    HG3  ARG  13           2HG      ARG  13   7.524  -5.134  -5.037
   81    HD2  ARG  13           1HD      ARG  13   5.364  -6.255  -4.522
   82    HD3  ARG  13           2HD      ARG  13   4.514  -5.100  -5.565
   83    HE   ARG  13           HE       ARG  13   6.513  -6.280  -7.149
   84   HH11  ARG  13          2HH1      ARG  13   3.623  -7.430  -5.494
   85   HH12  ARG  13          1HH1      ARG  13   3.428  -8.756  -6.610
   86   HH21  ARG  13          2HH2      ARG  13   6.168  -7.981  -8.530
   87   HH22  ARG  13          1HH2      ARG  13   4.814  -9.044  -8.284
   88    H    PHE  14           H        PHE  14   7.230  -3.128  -0.562
   89    HA   PHE  14           HA       PHE  14  10.054  -4.006  -0.947
   90    HB2  PHE  14           1HB      PHE  14   8.937  -1.852   0.863
   91    HB3  PHE  14           2HB      PHE  14  10.627  -2.171   0.526
   92    HD1  PHE  14           2HD      PHE  14  11.590  -1.645  -1.730
   93    HD2  PHE  14           1HD      PHE  14   7.536  -0.600  -0.692
   94    HE1  PHE  14           2HE      PHE  14  11.490  -0.091  -3.666
   95    HE2  PHE  14           1HE      PHE  14   7.442   0.955  -2.625
   96    HZ   PHE  14           HZ       PHE  14   9.415   1.200  -4.123
   97    H    CYS  15           H        CYS  15   7.571  -3.849   1.659
   98    HA   CYS  15           HA       CYS  15   9.142  -5.884   3.176
   99    HB2  CYS  15           1HB      CYS  15   8.607  -4.826   5.218
  100    HB3  CYS  15           2HB      CYS  15   9.362  -3.662   4.136
  101    H    LYS  16           H        LYS  16   6.436  -5.766   1.431
  102    HA   LYS  16           HA       LYS  16   4.676  -7.133   1.145
  103    HB2  LYS  16           1HB      LYS  16   6.384  -9.020   2.788
  104    HB3  LYS  16           2HB      LYS  16   4.909  -9.484   1.969
  105    HG2  LYS  16           1HG      LYS  16   6.620 -10.136   0.537
  106    HG3  LYS  16           2HG      LYS  16   5.833  -8.759  -0.212
  107    HD2  LYS  16           1HD      LYS  16   8.246  -8.747  -0.561
  108    HD3  LYS  16           2HD      LYS  16   7.759  -7.320   0.341
  109    HE2  LYS  16           1HE      LYS  16   8.508  -8.399   2.459
  110    HE3  LYS  16           2HE      LYS  16   8.907  -9.873   1.570
  111    HZ1  LYS  16           3HZ      LYS  16  10.582  -8.601   0.336
  112    HZ2  LYS  16           1HZ      LYS  16  10.881  -8.516   1.935
  113    HZ3  LYS  16           2HZ      LYS  16  10.230  -7.231   1.163
  114    H    LYS  17           H        LYS  17   4.647  -5.395   3.677
  115    HA   LYS  17           HA       LYS  17   2.472  -6.536   5.256
  116    HB2  LYS  17           1HB      LYS  17   3.364  -3.642   4.913
  117    HB3  LYS  17           2HB      LYS  17   2.223  -4.255   6.122
  118    HG2  LYS  17           1HG      LYS  17   4.013  -5.673   7.105
  119    HG3  LYS  17           2HG      LYS  17   5.160  -5.063   5.900
  120    HD2  LYS  17           1HD      LYS  17   4.640  -2.713   6.761
  121    HD3  LYS  17           2HD      LYS  17   3.804  -3.474   8.119
  122    HE2  LYS  17           1HE      LYS  17   6.725  -3.906   7.317
  123    HE3  LYS  17           2HE      LYS  17   6.180  -2.821   8.599
  124    HZ1  LYS  17           3HZ      LYS  17   6.872  -4.939   9.522
  125    HZ2  LYS  17           1HZ      LYS  17   5.817  -5.769   8.599
  126    HZ3  LYS  17           2HZ      LYS  17   5.270  -4.763   9.770
  127    H    LYS  18           H        LYS  18   0.347  -5.314   5.379
  128    HA   LYS  18           HA       LYS  18  -0.786  -4.842   2.641
  129    HB2  LYS  18           1HB      LYS  18  -1.727  -6.698   4.843
  130    HB3  LYS  18           2HB      LYS  18  -2.762  -6.203   3.486
  131    HG2  LYS  18           1HG      LYS  18  -1.120  -7.146   1.878
  132    HG3  LYS  18           2HG      LYS  18  -0.107  -7.689   3.231
  133    HD2  LYS  18           1HD      LYS  18  -1.972  -9.107   4.057
  134    HD3  LYS  18           2HD      LYS  18  -2.969  -8.587   2.680
  135    HE2  LYS  18           1HE      LYS  18  -1.288  -9.523   1.110
  136    HE3  LYS  18           2HE      LYS  18  -0.279 -10.020   2.474
  137    HZ1  LYS  18           3HZ      LYS  18  -2.086 -11.496   3.188
  138    HZ2  LYS  18           1HZ      LYS  18  -1.639 -11.862   1.664
  139    HZ3  LYS  18           2HZ      LYS  18  -3.021 -11.037   1.928
  140    H    TYR  19           H        TYR  19  -2.526  -3.573   2.427
  141    HA   TYR  19           HA       TYR  19  -3.680  -2.141   4.763
  142    HB2  TYR  19           1HB      TYR  19  -2.425  -0.834   2.319
  143    HB3  TYR  19           2HB      TYR  19  -3.538  -0.005   3.395
  144    HD1  TYR  19           1HD      TYR  19  -2.949   0.514   5.733
  145    HD2  TYR  19           2HD      TYR  19  -0.104  -1.290   3.037
  146    HE1  TYR  19           1HE      TYR  19  -1.112   1.034   7.327
  147    HE2  TYR  19           2HE      TYR  19   1.737  -0.774   4.644
  148    HH   TYR  19           HH       TYR  19   1.110   0.836   7.790
  149    H    SER  20           H        SER  20  -5.807  -1.381   4.431
  150    HA   SER  20           HA       SER  20  -7.292  -2.948   2.487
  151    HB2  SER  20           1HB      SER  20  -8.254  -0.933   4.540
  152    HB3  SER  20           2HB      SER  20  -9.298  -1.959   3.540
  153    HG   SER  20           HG       SER  20  -7.438  -2.760   5.535
  154    H    ASP  21           H        ASP  21  -5.760  -0.045   2.075
  155    HA   ASP  21           HA       ASP  21  -7.207   0.571  -0.393
  156    HB2  ASP  21           1HB      ASP  21  -7.629   2.889   0.164
  157    HB3  ASP  21           2HB      ASP  21  -8.446   1.870   1.340
  158    H    VAL  22           H        VAL  22  -6.046   2.230  -1.683
  159    HA   VAL  22           HA       VAL  22  -3.200   1.693  -1.639
  160    HB   VAL  22           HB       VAL  22  -4.687   1.923  -3.661
  161   HG11  VAL  22          1HG1      VAL  22  -5.015   4.064  -4.706
  162   HG12  VAL  22          2HG1      VAL  22  -5.774   4.090  -3.109
  163   HG13  VAL  22          3HG1      VAL  22  -4.216   4.910  -3.371
  164   HG21  VAL  22          3HG2      VAL  22  -2.105   3.513  -3.698
  165   HG22  VAL  22          1HG2      VAL  22  -2.243   1.747  -3.813
  166   HG23  VAL  22          2HG2      VAL  22  -2.916   2.773  -5.091
  167    H    LYS  23           H        LYS  23  -5.103   4.387  -0.404
  168    HA   LYS  23           HA       LYS  23  -2.967   6.320  -0.703
  169    HB2  LYS  23           1HB      LYS  23  -5.539   6.440   0.936
  170    HB3  LYS  23           2HB      LYS  23  -4.428   7.792   0.688
  171    HG2  LYS  23           1HG      LYS  23  -4.807   7.664  -1.770
  172    HG3  LYS  23           2HG      LYS  23  -5.897   6.300  -1.534
  173    HD2  LYS  23           1HD      LYS  23  -7.236   8.274  -1.851
  174    HD3  LYS  23           2HD      LYS  23  -7.425   7.696  -0.201
  175    HE2  LYS  23           1HE      LYS  23  -7.304  10.080  -0.119
  176    HE3  LYS  23           2HE      LYS  23  -5.817   9.453   0.586
  177    HZ1  LYS  23           3HZ      LYS  23  -6.095  10.488  -2.193
  178    HZ2  LYS  23           1HZ      LYS  23  -4.698   9.940  -1.540
  179    HZ3  LYS  23           2HZ      LYS  23  -5.398  11.293  -0.959
  180    H    ASN  24           H        ASN  24  -4.192   4.424   2.059
  181    HA   ASN  24           HA       ASN  24  -2.170   5.347   3.925
  182    HB2  ASN  24           1HB      ASN  24  -4.013   2.931   3.853
  183    HB3  ASN  24           2HB      ASN  24  -2.855   3.207   5.153
  184   HD21  ASN  24          1HD2      ASN  24  -6.059   3.744   4.352
  185   HD22  ASN  24          2HD2      ASN  24  -6.325   5.095   5.457
  186    H    LEU  25           H        LEU  25  -2.148   2.744   1.480
  187    HA   LEU  25           HA       LEU  25   0.425   1.712   2.257
  188    HB2  LEU  25           1HB      LEU  25  -1.039   0.391   0.873
  189    HB3  LEU  25           2HB      LEU  25  -1.104   1.643  -0.363
  190    HG   LEU  25           HG       LEU  25   1.289   1.325  -0.866
  191   HD11  LEU  25          1HD1      LEU  25   2.053   0.467   1.372
  192   HD12  LEU  25          2HD1      LEU  25   2.539  -0.548   0.024
  193   HD13  LEU  25          3HD1      LEU  25   1.179  -1.047   1.052
  194   HD21  LEU  25          3HD2      LEU  25  -0.451   0.054  -2.076
  195   HD22  LEU  25          1HD2      LEU  25  -0.255  -1.281  -0.909
  196   HD23  LEU  25          2HD2      LEU  25   1.089  -0.813  -1.972
  197    H    ILE  26           H        ILE  26  -0.488   4.304  -0.109
  198    HA   ILE  26           HA       ILE  26   2.197   4.879  -0.909
  199    HB   ILE  26           HB       ILE  26  -0.329   6.555  -0.906
  200   HG12  ILE  26          1HG1      ILE  26   1.275   5.397  -3.235
  201   HG13  ILE  26          2HG1      ILE  26   0.011   4.479  -2.439
  202   HG21  ILE  26          1HG2      ILE  26   0.903   8.144  -2.416
  203   HG22  ILE  26          2HG2      ILE  26   1.533   8.154  -0.778
  204   HG23  ILE  26          3HG2      ILE  26   2.411   7.271  -2.054
  205   HD11  ILE  26          3HD1      ILE  26  -0.892   5.506  -4.430
  206   HD12  ILE  26          1HD1      ILE  26  -1.655   6.236  -3.003
  207   HD13  ILE  26          2HD1      ILE  26  -0.396   7.118  -3.903
  208    H    LYS  27           H        LYS  27   0.280   6.259   1.810
  209    HA   LYS  27           HA       LYS  27   2.377   7.953   2.822
  210    HB2  LYS  27           1HB      LYS  27   0.065   6.560   4.218
  211    HB3  LYS  27           2HB      LYS  27   1.159   7.690   5.026
  212    HG2  LYS  27           1HG      LYS  27   0.568   9.465   3.393
  213    HG3  LYS  27           2HG      LYS  27  -0.597   8.384   2.629
  214    HD2  LYS  27           1HD      LYS  27  -0.684   9.362   5.519
  215    HD3  LYS  27           2HD      LYS  27  -1.686   9.959   4.185
  216    HE2  LYS  27           1HE      LYS  27  -2.672   7.695   3.904
  217    HE3  LYS  27           2HE      LYS  27  -1.676   7.097   5.238
  218    HZ1  LYS  27           3HZ      LYS  27  -3.809   9.140   5.482
  219    HZ2  LYS  27           1HZ      LYS  27  -2.826   8.674   6.708
  220    HZ3  LYS  27           2HZ      LYS  27  -3.846   7.591   6.031
  221    H    HIS  28           H        HIS  28   1.665   4.503   3.574
  222    HA   HIS  28           HA       HIS  28   3.823   4.087   5.382
  223    HB2  HIS  28           1HB      HIS  28   2.144   2.429   5.217
  224    HB3  HIS  28           2HB      HIS  28   2.316   2.271   3.478
  225    HD1  HIS  28           1HD      HIS  28   4.172   1.247   6.680
  226    HD2  HIS  28           2HD      HIS  28   4.195   0.661   2.520
  227    HE1  HIS  28           1HE      HIS  28   5.894  -0.558   6.251
  228    H    ILE  29           H        ILE  29   3.802   3.737   1.790
  229    HA   ILE  29           HA       ILE  29   6.534   2.945   1.559
  230    HB   ILE  29           HB       ILE  29   4.647   4.297  -0.391
  231   HG12  ILE  29          1HG1      ILE  29   5.721   1.439  -0.396
  232   HG13  ILE  29          2HG1      ILE  29   4.238   1.878   0.433
  233   HG21  ILE  29          1HG2      ILE  29   6.928   4.876  -1.099
  234   HG22  ILE  29          2HG2      ILE  29   7.434   3.176  -0.944
  235   HG23  ILE  29          3HG2      ILE  29   6.271   3.674  -2.189
  236   HD11  ILE  29          3HD1      ILE  29   4.724   2.120  -2.560
  237   HD12  ILE  29          1HD1      ILE  29   3.657   0.990  -1.722
  238   HD13  ILE  29          2HD1      ILE  29   3.279   2.725  -1.715
  239    H    ARG  30           H        ARG  30   5.105   6.247   1.347
  240    HA   ARG  30           HA       ARG  30   7.639   7.599   1.024
  241    HB2  ARG  30           1HB      ARG  30   4.911   8.519   2.037
  242    HB3  ARG  30           2HB      ARG  30   6.278   9.612   1.788
  243    HG2  ARG  30           1HG      ARG  30   6.382   9.053  -0.590
  244    HG3  ARG  30           2HG      ARG  30   5.075   7.872  -0.415
  245    HD2  ARG  30           1HD      ARG  30   3.522   9.643   0.289
  246    HD3  ARG  30           2HD      ARG  30   4.798  10.853   0.180
  247    HE   ARG  30           HE       ARG  30   3.300   9.609  -2.022
  248   HH11  ARG  30          2HH2      ARG  30   6.168  11.497  -1.302
  249   HH12  ARG  30          1HH2      ARG  30   6.287  12.094  -2.934
  250   HH21  ARG  30          2HH1      ARG  30   3.523  10.406  -4.080
  251   HH22  ARG  30          1HH1      ARG  30   4.830  11.488  -4.456
  252    H    ASP  31           H        ASP  31   5.950   6.580   3.970
  253    HA   ASP  31           HA       ASP  31   7.739   8.058   5.722
  254    HB2  ASP  31           1HB      ASP  31   5.389   7.531   6.272
  255    HB3  ASP  31           2HB      ASP  31   5.788   5.811   6.329
  256    H    MET  32           H        MET  32   7.598   4.623   4.669
  257    HA   MET  32           HA       MET  32   9.932   4.020   6.418
  258    HB2  MET  32           1HB      MET  32   7.957   2.139   5.080
  259    HB3  MET  32           2HB      MET  32   9.266   1.695   6.175
  260    HG2  MET  32           1HG      MET  32   8.129   3.391   7.832
  261    HG3  MET  32           2HG      MET  32   6.726   3.201   6.779
  262    HE1  MET  32           3HE      MET  32   9.482   0.593   8.173
  263    HE2  MET  32           1HE      MET  32   9.025   1.681   9.504
  264    HE3  MET  32           2HE      MET  32   8.559  -0.032   9.552
  265    H    HIS  33           H        HIS  33   9.281   4.242   2.975
  266    HA   HIS  33           HA       HIS  33  11.852   2.789   2.412
  267    HB2  HIS  33           1HB      HIS  33   9.322   2.712   0.746
  268    HB3  HIS  33           2HB      HIS  33  10.795   1.782   0.495
  269    HD1  HIS  33           1HD      HIS  33  11.233   0.519   3.347
  270    HD2  HIS  33           2HD      HIS  33   7.518   1.008   1.455
  271    HE1  HIS  33           1HE      HIS  33   9.676  -1.150   4.451
  272    H    ASP  34           H        ASP  34   9.647   5.303   1.231
  273    HA   ASP  34           HA       ASP  34   9.804   6.893  -0.366
  274    HB2  ASP  34           1HB      ASP  34  10.691   7.890   1.669
  275    HB3  ASP  34           2HB      ASP  34  12.330   7.462   1.195
  276    HA   PRO  35           HA       PRO  35  12.723   4.898  -3.359
  277    HB2  PRO  35           1HB      PRO  35  10.981   3.927  -5.194
  278    HB3  PRO  35           2HB      PRO  35  11.222   3.140  -3.611
  279    HG2  PRO  35           1HG      PRO  35   9.041   5.127  -4.359
  280    HG3  PRO  35           2HG      PRO  35   8.842   3.510  -3.612
  281    HD2  PRO  35           1HD      PRO  35   8.937   5.799  -2.126
  282    HD3  PRO  35           2HD      PRO  35   9.640   4.261  -1.535
  283    H    GLN  36           H        GLN  36  12.930   7.454  -3.211
  284    HA   GLN  36           HA       GLN  36  11.554   8.961  -5.247
  285    HB2  GLN  36           1HB      GLN  36  12.416  10.861  -4.306
  286    HB3  GLN  36           2HB      GLN  36  12.226   9.772  -2.947
  287    HG2  GLN  36           1HG      GLN  36  14.844  10.486  -4.354
  288    HG3  GLN  36           2HG      GLN  36  14.281  11.115  -2.816
  289   HE21  GLN  36          1HE2      GLN  36  13.974   9.425  -0.979
  290   HE22  GLN  36          2HE2      GLN  36  15.121   8.102  -1.005
  291    H    ASP  37           H        ASP  37  14.303   7.065  -5.588
  292    HA   ASP  37           HA       ASP  37  14.950   8.247  -8.231
  293    HB2  ASP  37           1HB      ASP  37  16.560   9.239  -6.652
  294    HB3  ASP  37           2HB      ASP  37  17.016   7.637  -6.082
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  -5.197  -5.261 -11.992
    2    H2   GLY   1           2H       GLY   1  -5.473  -5.882 -13.484
    3    H3   GLY   1           3H       GLY   1  -5.118  -6.879 -12.231
    4    HA2  GLY   1           1HA      GLY   1  -7.552  -5.235 -12.467
    5    HA3  GLY   1           2HA      GLY   1  -7.470  -6.985 -12.741
    6    H    SER   2           H        SER   2  -9.263  -6.027 -10.925
    7    HA   SER   2           HA       SER   2  -8.239  -6.108  -8.192
    8    HB2  SER   2           1HB      SER   2 -10.644  -6.001  -7.594
    9    HB3  SER   2           2HB      SER   2 -10.127  -4.709  -8.688
   10    HG   SER   2           HG       SER   2 -12.117  -5.663  -9.344
   11    H    SER   3           H        SER   3  -9.114  -7.620  -6.570
   12    HA   SER   3           HA       SER   3  -9.869 -10.320  -7.482
   13    HB2  SER   3           1HB      SER   3  -7.355 -10.250  -7.470
   14    HB3  SER   3           2HB      SER   3  -7.416  -9.892  -5.733
   15    HG   SER   3           HG       SER   3  -7.180 -12.156  -6.220
   16    H    GLY   4           H        GLY   4 -10.692 -11.650  -5.804
   17    HA2  GLY   4           1HA      GLY   4 -11.852 -12.128  -3.858
   18    HA3  GLY   4           2HA      GLY   4 -11.236 -10.658  -3.113
   19    H    SER   5           H        SER   5 -13.768 -11.451  -2.617
   20    HA   SER   5           HA       SER   5 -15.514  -9.454  -4.016
   21    HB2  SER   5           1HB      SER   5 -17.339 -11.097  -3.879
   22    HB3  SER   5           2HB      SER   5 -15.983 -11.684  -4.857
   23    HG   SER   5           HG       SER   5 -16.748 -13.283  -3.384
   24    H    SER   6           H        SER   6 -14.466 -10.666  -0.933
   25    HA   SER   6           HA       SER   6 -16.767  -9.658   0.572
   26    HB2  SER   6           1HB      SER   6 -15.451 -10.467   2.518
   27    HB3  SER   6           2HB      SER   6 -15.719 -11.703   1.277
   28    HG   SER   6           HG       SER   6 -13.533 -11.656   2.023
   29    H    GLY   7           H        GLY   7 -13.989  -8.172  -0.684
   30    HA2  GLY   7           1HA      GLY   7 -14.411  -5.614   0.442
   31    HA3  GLY   7           2HA      GLY   7 -13.181  -6.424   1.418
   32    H    ILE   8           H        ILE   8 -11.739  -4.741   0.701
   33    HA   ILE   8           HA       ILE   8 -10.362  -5.413  -1.829
   34    HB   ILE   8           HB       ILE   8 -11.817  -3.507  -2.318
   35   HG12  ILE   8          1HG1      ILE   8  -8.884  -2.680  -2.322
   36   HG13  ILE   8          2HG1      ILE   8  -9.599  -3.856  -3.433
   37   HG21  ILE   8          1HG2      ILE   8 -10.200  -1.904  -0.288
   38   HG22  ILE   8          2HG2      ILE   8 -11.509  -1.305  -1.323
   39   HG23  ILE   8          3HG2      ILE   8 -11.870  -2.459  -0.045
   40   HD11  ILE   8          3HD1      ILE   8 -10.315  -0.903  -3.234
   41   HD12  ILE   8          1HD1      ILE   8  -9.452  -1.724  -4.543
   42   HD13  ILE   8          2HD1      ILE   8 -11.165  -2.087  -4.258
   43    H    LYS   9           H        LYS   9  -8.156  -5.128  -1.833
   44    HA   LYS   9           HA       LYS   9  -6.738  -4.170   0.568
   45    HB2  LYS   9           1HB      LYS   9  -5.497  -6.252   0.877
   46    HB3  LYS   9           2HB      LYS   9  -7.223  -6.501   1.128
   47    HG2  LYS   9           1HG      LYS   9  -7.416  -7.486  -1.157
   48    HG3  LYS   9           2HG      LYS   9  -5.677  -7.246  -1.401
   49    HD2  LYS   9           1HD      LYS   9  -5.186  -8.762   0.484
   50    HD3  LYS   9           2HD      LYS   9  -6.930  -8.985   0.767
   51    HE2  LYS   9           1HE      LYS   9  -7.177  -9.894  -1.538
   52    HE3  LYS   9           2HE      LYS   9  -5.444  -9.681  -1.810
   53    HZ1  LYS   9           3HZ      LYS   9  -5.966 -11.961  -1.160
   54    HZ2  LYS   9           1HZ      LYS   9  -6.637 -11.472   0.242
   55    HZ3  LYS   9           2HZ      LYS   9  -5.033 -11.278  -0.010
   56    H    GLN  10           H        GLN  10  -4.537  -3.884   0.311
   57    HA   GLN  10           HA       GLN  10  -3.254  -4.217  -2.340
   58    HB2  GLN  10           1HB      GLN  10  -3.199  -1.626  -0.725
   59    HB3  GLN  10           2HB      GLN  10  -2.297  -1.950  -2.205
   60    HG2  GLN  10           1HG      GLN  10  -5.332  -1.758  -2.025
   61    HG3  GLN  10           2HG      GLN  10  -4.251  -0.485  -2.554
   62   HE21  GLN  10          1HE2      GLN  10  -6.241  -1.199  -4.289
   63   HE22  GLN  10          2HE2      GLN  10  -5.535  -2.078  -5.638
   64    H    HIS  11           H        HIS  11  -0.821  -4.137  -2.107
   65    HA   HIS  11           HA       HIS  11   0.129  -4.416   0.682
   66    HB2  HIS  11           1HB      HIS  11   1.292  -6.455   0.309
   67    HB3  HIS  11           2HB      HIS  11  -0.398  -6.701  -0.104
   68    HD1  HIS  11           1HD      HIS  11   3.038  -6.267  -1.864
   69    HD2  HIS  11           2HD      HIS  11  -0.925  -7.507  -2.587
   70    HE1  HIS  11           1HE      HIS  11   3.035  -7.349  -4.172
   71    H    CYS  12           H        CYS  12   2.266  -4.128   1.084
   72    HA   CYS  12           HA       CYS  12   3.720  -2.205  -0.452
   73    HB2  CYS  12           1HB      CYS  12   3.740  -2.518   1.999
   74    HB3  CYS  12           2HB      CYS  12   4.559  -4.071   1.791
   75    H    ARG  13           H        ARG  13   5.744  -2.399  -1.369
   76    HA   ARG  13           HA       ARG  13   6.350  -4.983  -2.785
   77    HB2  ARG  13           1HB      ARG  13   6.872  -2.115  -3.671
   78    HB3  ARG  13           2HB      ARG  13   7.403  -3.567  -4.535
   79    HG2  ARG  13           1HG      ARG  13   5.021  -4.301  -4.742
   80    HG3  ARG  13           2HG      ARG  13   4.503  -2.785  -3.984
   81    HD2  ARG  13           1HD      ARG  13   5.574  -1.494  -5.793
   82    HD3  ARG  13           2HD      ARG  13   6.116  -2.982  -6.569
   83    HE   ARG  13           HE       ARG  13   3.404  -1.843  -6.543
   84   HH11  ARG  13          2HH1      ARG  13   5.206  -4.772  -7.243
   85   HH12  ARG  13          1HH1      ARG  13   3.925  -5.425  -8.228
   86   HH21  ARG  13          2HH2      ARG  13   1.824  -2.737  -7.811
   87   HH22  ARG  13          1HH2      ARG  13   2.068  -4.299  -8.536
   88    H    PHE  14           H        PHE  14   7.441  -3.108  -0.288
   89    HA   PHE  14           HA       PHE  14  10.316  -3.869  -0.685
   90    HB2  PHE  14           1HB      PHE  14   9.166  -1.662   1.020
   91    HB3  PHE  14           2HB      PHE  14  10.858  -1.941   0.665
   92    HD1  PHE  14           2HD      PHE  14  11.792  -1.362  -1.571
   93    HD2  PHE  14           1HD      PHE  14   7.668  -0.570  -0.585
   94    HE1  PHE  14           2HE      PHE  14  11.611   0.161  -3.527
   95    HE2  PHE  14           1HE      PHE  14   7.488   0.939  -2.547
   96    HZ   PHE  14           HZ       PHE  14   9.458   1.304  -4.022
   97    H    CYS  15           H        CYS  15   7.615  -3.956   1.616
   98    HA   CYS  15           HA       CYS  15   9.102  -5.975   3.208
   99    HB2  CYS  15           1HB      CYS  15   8.407  -5.044   5.283
  100    HB3  CYS  15           2HB      CYS  15   9.268  -3.817   4.361
  101    H    LYS  16           H        LYS  16   6.542  -5.575   1.293
  102    HA   LYS  16           HA       LYS  16   4.629  -6.664   0.810
  103    HB2  LYS  16           1HB      LYS  16   6.028  -8.939   2.236
  104    HB3  LYS  16           2HB      LYS  16   4.689  -9.095   1.094
  105    HG2  LYS  16           1HG      LYS  16   6.058  -8.044  -0.688
  106    HG3  LYS  16           2HG      LYS  16   7.432  -7.939   0.431
  107    HD2  LYS  16           1HD      LYS  16   7.417 -10.399   0.698
  108    HD3  LYS  16           2HD      LYS  16   6.052 -10.515  -0.436
  109    HE2  LYS  16           1HE      LYS  16   7.441  -9.465  -2.209
  110    HE3  LYS  16           2HE      LYS  16   8.798  -9.341  -1.082
  111    HZ1  LYS  16           3HZ      LYS  16   8.810 -11.777  -0.933
  112    HZ2  LYS  16           1HZ      LYS  16   8.993 -11.313  -2.486
  113    HZ3  LYS  16           2HZ      LYS  16   7.557 -11.892  -1.976
  114    H    LYS  17           H        LYS  17   4.624  -5.382   3.630
  115    HA   LYS  17           HA       LYS  17   2.502  -6.722   5.052
  116    HB2  LYS  17           1HB      LYS  17   3.359  -3.798   5.084
  117    HB3  LYS  17           2HB      LYS  17   2.251  -4.561   6.235
  118    HG2  LYS  17           1HG      LYS  17   4.045  -6.118   6.955
  119    HG3  LYS  17           2HG      LYS  17   5.164  -5.363   5.811
  120    HD2  LYS  17           1HD      LYS  17   4.714  -3.149   7.004
  121    HD3  LYS  17           2HD      LYS  17   3.904  -4.080   8.268
  122    HE2  LYS  17           1HE      LYS  17   6.790  -4.435   7.320
  123    HE3  LYS  17           2HE      LYS  17   6.305  -3.534   8.758
  124    HZ1  LYS  17           3HZ      LYS  17   5.395  -5.611   9.673
  125    HZ2  LYS  17           1HZ      LYS  17   6.987  -5.770   9.352
  126    HZ3  LYS  17           2HZ      LYS  17   5.889  -6.449   8.356
  127    H    LYS  18           H        LYS  18   0.330  -6.164   5.253
  128    HA   LYS  18           HA       LYS  18  -0.953  -5.367   2.695
  129    HB2  LYS  18           1HB      LYS  18  -1.351  -7.611   3.668
  130    HB3  LYS  18           2HB      LYS  18  -2.032  -6.853   5.112
  131    HG2  LYS  18           1HG      LYS  18  -3.869  -5.881   3.735
  132    HG3  LYS  18           2HG      LYS  18  -3.132  -6.554   2.277
  133    HD2  LYS  18           1HD      LYS  18  -4.997  -7.936   2.958
  134    HD3  LYS  18           2HD      LYS  18  -3.495  -8.850   3.160
  135    HE2  LYS  18           1HE      LYS  18  -3.516  -8.340   5.597
  136    HE3  LYS  18           2HE      LYS  18  -4.991  -7.386   5.389
  137    HZ1  LYS  18           3HZ      LYS  18  -6.127  -9.425   4.680
  138    HZ2  LYS  18           1HZ      LYS  18  -5.480  -9.637   6.161
  139    HZ3  LYS  18           2HZ      LYS  18  -4.759 -10.304   4.860
  140    H    TYR  19           H        TYR  19  -2.472  -3.849   2.484
  141    HA   TYR  19           HA       TYR  19  -3.481  -2.301   4.814
  142    HB2  TYR  19           1HB      TYR  19  -2.133  -1.199   2.330
  143    HB3  TYR  19           2HB      TYR  19  -3.300  -0.252   3.235
  144    HD1  TYR  19           1HD      TYR  19  -2.849   0.614   5.451
  145    HD2  TYR  19           2HD      TYR  19   0.084  -1.774   3.374
  146    HE1  TYR  19           1HE      TYR  19  -1.132   1.266   7.129
  147    HE2  TYR  19           2HE      TYR  19   1.804  -1.117   5.058
  148    HH   TYR  19           HH       TYR  19   1.015   1.006   7.844
  149    H    SER  20           H        SER  20  -5.555  -1.369   4.499
  150    HA   SER  20           HA       SER  20  -7.259  -2.793   2.574
  151    HB2  SER  20           1HB      SER  20  -9.090  -1.705   3.854
  152    HB3  SER  20           2HB      SER  20  -7.986  -2.662   4.857
  153    HG   SER  20           HG       SER  20  -8.455  -0.600   5.783
  154    H    ASP  21           H        ASP  21  -5.528   0.086   2.394
  155    HA   ASP  21           HA       ASP  21  -7.233   1.204   0.240
  156    HB2  ASP  21           1HB      ASP  21  -8.109   2.322   2.162
  157    HB3  ASP  21           2HB      ASP  21  -6.505   2.558   2.855
  158    H    VAL  22           H        VAL  22  -6.145   2.321  -1.314
  159    HA   VAL  22           HA       VAL  22  -3.335   1.796  -1.580
  160    HB   VAL  22           HB       VAL  22  -4.985   1.874  -3.417
  161   HG11  VAL  22          1HG1      VAL  22  -5.603   3.898  -4.540
  162   HG12  VAL  22          2HG1      VAL  22  -6.154   4.004  -2.863
  163   HG13  VAL  22          3HG1      VAL  22  -4.702   4.892  -3.387
  164   HG21  VAL  22          3HG2      VAL  22  -2.563   3.641  -3.873
  165   HG22  VAL  22          1HG2      VAL  22  -2.559   1.864  -3.843
  166   HG23  VAL  22          2HG2      VAL  22  -3.462   2.727  -5.099
  167    H    LYS  23           H        LYS  23  -5.084   4.751  -0.575
  168    HA   LYS  23           HA       LYS  23  -2.726   6.387  -0.959
  169    HB2  LYS  23           1HB      LYS  23  -5.251   6.990   0.648
  170    HB3  LYS  23           2HB      LYS  23  -4.015   8.159   0.232
  171    HG2  LYS  23           1HG      LYS  23  -5.842   6.680  -1.709
  172    HG3  LYS  23           2HG      LYS  23  -5.974   8.361  -1.230
  173    HD2  LYS  23           1HD      LYS  23  -3.732   7.114  -2.875
  174    HD3  LYS  23           2HD      LYS  23  -5.009   8.153  -3.476
  175    HE2  LYS  23           1HE      LYS  23  -2.862   9.007  -1.476
  176    HE3  LYS  23           2HE      LYS  23  -2.797   9.288  -3.215
  177    HZ1  LYS  23           3HZ      LYS  23  -4.881  10.396  -1.408
  178    HZ2  LYS  23           1HZ      LYS  23  -4.823  10.624  -3.027
  179    HZ3  LYS  23           2HZ      LYS  23  -3.652  11.234  -2.074
  180    H    ASN  24           H        ASN  24  -4.198   4.760   1.805
  181    HA   ASN  24           HA       ASN  24  -2.230   5.497   3.785
  182    HB2  ASN  24           1HB      ASN  24  -4.193   3.190   3.491
  183    HB3  ASN  24           2HB      ASN  24  -3.037   3.256   4.819
  184   HD21  ASN  24          1HD2      ASN  24  -5.739   5.105   3.326
  185   HD22  ASN  24          2HD2      ASN  24  -6.135   5.938   4.833
  186    H    LEU  25           H        LEU  25  -2.279   2.802   1.375
  187    HA   LEU  25           HA       LEU  25   0.231   1.707   2.210
  188    HB2  LEU  25           1HB      LEU  25  -1.307   0.447   0.820
  189    HB3  LEU  25           2HB      LEU  25  -1.205   1.648  -0.464
  190    HG   LEU  25           HG       LEU  25   1.182   1.118  -0.822
  191   HD11  LEU  25          1HD1      LEU  25   2.191  -0.855   0.206
  192   HD12  LEU  25          2HD1      LEU  25   0.752  -1.116   1.212
  193   HD13  LEU  25          3HD1      LEU  25   1.791   0.307   1.462
  194   HD21  LEU  25          3HD2      LEU  25  -0.624  -0.068  -2.054
  195   HD22  LEU  25          1HD2      LEU  25  -0.533  -1.374  -0.843
  196   HD23  LEU  25          2HD2      LEU  25   0.864  -1.008  -1.881
  197    H    ILE  26           H        ILE  26  -0.487   4.253  -0.265
  198    HA   ILE  26           HA       ILE  26   2.256   4.668  -0.996
  199    HB   ILE  26           HB       ILE  26  -0.177   6.473  -1.149
  200   HG12  ILE  26          1HG1      ILE  26   1.389   5.077  -3.373
  201   HG13  ILE  26          2HG1      ILE  26   0.043   4.300  -2.562
  202   HG21  ILE  26          1HG2      ILE  26   1.795   7.948  -1.068
  203   HG22  ILE  26          2HG2      ILE  26   2.622   6.945  -2.283
  204   HG23  ILE  26          3HG2      ILE  26   1.182   7.898  -2.711
  205   HD11  ILE  26          3HD1      ILE  26  -0.749   5.264  -4.620
  206   HD12  ILE  26          1HD1      ILE  26  -1.471   6.147  -3.261
  207   HD13  ILE  26          2HD1      ILE  26  -0.132   6.864  -4.191
  208    H    LYS  27           H        LYS  27   0.296   6.151   1.617
  209    HA   LYS  27           HA       LYS  27   2.355   7.835   2.670
  210    HB2  LYS  27           1HB      LYS  27  -0.068   7.954   3.242
  211    HB3  LYS  27           2HB      LYS  27   0.087   6.455   4.169
  212    HG2  LYS  27           1HG      LYS  27   1.724   7.545   5.680
  213    HG3  LYS  27           2HG      LYS  27   1.626   9.034   4.717
  214    HD2  LYS  27           1HD      LYS  27  -0.787   9.230   5.271
  215    HD3  LYS  27           2HD      LYS  27  -0.689   7.736   6.230
  216    HE2  LYS  27           1HE      LYS  27   1.012   8.798   7.701
  217    HE3  LYS  27           2HE      LYS  27   0.919  10.282   6.743
  218    HZ1  LYS  27           3HZ      LYS  27  -1.422  10.484   7.402
  219    HZ2  LYS  27           1HZ      LYS  27  -0.472  10.422   8.727
  220    HZ3  LYS  27           2HZ      LYS  27  -1.337   9.110   8.287
  221    H    HIS  28           H        HIS  28   1.571   4.412   3.504
  222    HA   HIS  28           HA       HIS  28   3.712   3.971   5.324
  223    HB2  HIS  28           1HB      HIS  28   2.022   2.319   5.139
  224    HB3  HIS  28           2HB      HIS  28   2.221   2.152   3.407
  225    HD1  HIS  28           1HD      HIS  28   3.748   0.895   6.641
  226    HD2  HIS  28           2HD      HIS  28   4.254   0.638   2.486
  227    HE1  HIS  28           1HE      HIS  28   5.464  -0.938   6.270
  228    H    ILE  29           H        ILE  29   3.705   3.543   1.740
  229    HA   ILE  29           HA       ILE  29   6.415   2.712   1.536
  230    HB   ILE  29           HB       ILE  29   4.523   4.016  -0.437
  231   HG12  ILE  29          1HG1      ILE  29   5.643   1.175  -0.336
  232   HG13  ILE  29          2HG1      ILE  29   4.132   1.636   0.433
  233   HG21  ILE  29          1HG2      ILE  29   6.155   3.358  -2.233
  234   HG22  ILE  29          2HG2      ILE  29   6.744   4.643  -1.202
  235   HG23  ILE  29          3HG2      ILE  29   7.343   2.982  -0.965
  236   HD11  ILE  29          3HD1      ILE  29   3.232   2.373  -1.783
  237   HD12  ILE  29          1HD1      ILE  29   4.695   1.710  -2.550
  238   HD13  ILE  29          2HD1      ILE  29   3.598   0.640  -1.670
  239    H    ARG  30           H        ARG  30   5.109   6.066   1.221
  240    HA   ARG  30           HA       ARG  30   7.795   7.157   0.881
  241    HB2  ARG  30           1HB      ARG  30   5.106   8.490   1.398
  242    HB3  ARG  30           2HB      ARG  30   6.612   9.356   1.056
  243    HG2  ARG  30           1HG      ARG  30   6.822   8.131  -1.111
  244    HG3  ARG  30           2HG      ARG  30   5.268   7.342  -0.807
  245    HD2  ARG  30           1HD      ARG  30   4.167   9.568  -0.709
  246    HD3  ARG  30           2HD      ARG  30   5.706  10.349  -1.076
  247    HE   ARG  30           HE       ARG  30   3.928   8.936  -2.920
  248   HH11  ARG  30          2HH1      ARG  30   7.287  10.057  -2.621
  249   HH12  ARG  30          1HH1      ARG  30   7.463   9.978  -4.380
  250   HH21  ARG  30          2HH2      ARG  30   4.430   8.848  -5.135
  251   HH22  ARG  30          1HH2      ARG  30   6.034   9.374  -5.622
  252    H    ASP  31           H        ASP  31   5.974   6.458   3.775
  253    HA   ASP  31           HA       ASP  31   7.767   8.092   5.441
  254    HB2  ASP  31           1HB      ASP  31   5.355   7.770   5.947
  255    HB3  ASP  31           2HB      ASP  31   5.667   6.055   6.241
  256    H    MET  32           H        MET  32   7.434   4.618   4.634
  257    HA   MET  32           HA       MET  32   9.608   3.912   6.523
  258    HB2  MET  32           1HB      MET  32   7.724   2.189   4.871
  259    HB3  MET  32           2HB      MET  32   8.903   1.586   6.022
  260    HG2  MET  32           1HG      MET  32   6.559   3.400   6.699
  261    HG3  MET  32           2HG      MET  32   6.618   1.665   6.953
  262    HE1  MET  32           3HE      MET  32   9.125   1.216   9.903
  263    HE2  MET  32           1HE      MET  32   8.002   0.426   8.774
  264    HE3  MET  32           2HE      MET  32   9.542   1.098   8.184
  265    H    HIS  33           H        HIS  33   9.134   4.057   3.015
  266    HA   HIS  33           HA       HIS  33  11.789   2.718   2.596
  267    HB2  HIS  33           1HB      HIS  33   9.333   2.546   0.825
  268    HB3  HIS  33           2HB      HIS  33  10.819   1.622   0.681
  269    HD1  HIS  33           1HD      HIS  33  11.155   0.402   3.538
  270    HD2  HIS  33           2HD      HIS  33   7.486   0.904   1.565
  271    HE1  HIS  33           1HE      HIS  33   9.556  -1.234   4.635
  272    H    ASP  34           H        ASP  34   9.611   5.241   1.450
  273    HA   ASP  34           HA       ASP  34   9.822   6.998   0.057
  274    HB2  ASP  34           1HB      ASP  34  10.897   7.659   2.159
  275    HB3  ASP  34           2HB      ASP  34  12.463   7.222   1.496
  276    HA   PRO  35           HA       PRO  35  12.444   5.172  -3.363
  277    HB2  PRO  35           1HB      PRO  35  10.447   4.557  -5.114
  278    HB3  PRO  35           2HB      PRO  35  10.955   3.444  -3.806
  279    HG2  PRO  35           1HG      PRO  35   8.642   5.419  -3.773
  280    HG3  PRO  35           2HG      PRO  35   8.610   3.676  -3.351
  281    HD2  PRO  35           1HD      PRO  35   8.862   5.605  -1.446
  282    HD3  PRO  35           2HD      PRO  35   9.741   4.052  -1.312
  283    H    GLN  36           H        GLN  36  12.809   6.205  -5.378
  284    HA   GLN  36           HA       GLN  36  12.251   9.042  -5.357
  285    HB2  GLN  36           1HB      GLN  36  13.890   7.381  -7.316
  286    HB3  GLN  36           2HB      GLN  36  13.855   9.136  -7.194
  287    HG2  GLN  36           1HG      GLN  36  15.800   8.598  -6.074
  288    HG3  GLN  36           2HG      GLN  36  14.655   8.903  -4.778
  289   HE21  GLN  36          1HE2      GLN  36  16.581   7.662  -3.681
  290   HE22  GLN  36          2HE2      GLN  36  16.396   5.914  -3.624
  291    H    ASP  37           H        ASP  37   9.836   7.881  -5.716
  292    HA   ASP  37           HA       ASP  37   9.033   8.121  -8.578
  293    HB2  ASP  37           1HB      ASP  37   8.339   6.099  -7.383
  294    HB3  ASP  37           2HB      ASP  37   7.531   7.071  -6.158
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1 -23.737 -13.697 -11.028
    2    H2   GLY   1           2H       GLY   1 -22.388 -13.862 -11.946
    3    H3   GLY   1           3H       GLY   1 -23.085 -12.390 -11.773
    4    HA2  GLY   1           1HA      GLY   1 -22.562 -12.338  -9.428
    5    HA3  GLY   1           2HA      GLY   1 -21.822 -13.940  -9.604
    6    H    SER   2           H        SER   2 -20.546 -11.522  -8.650
    7    HA   SER   2           HA       SER   2 -18.856 -10.363 -10.674
    8    HB2  SER   2           1HB      SER   2 -18.483 -10.436  -7.658
    9    HB3  SER   2           2HB      SER   2 -17.690  -9.328  -8.789
   10    HG   SER   2           HG       SER   2 -19.722  -8.439  -9.287
   11    H    SER   3           H        SER   3 -16.620 -10.549 -10.974
   12    HA   SER   3           HA       SER   3 -15.410 -13.198 -10.267
   13    HB2  SER   3           1HB      SER   3 -15.036 -11.578 -12.805
   14    HB3  SER   3           2HB      SER   3 -14.348 -13.173 -12.459
   15    HG   SER   3           HG       SER   3 -16.453 -14.029 -12.399
   16    H    GLY   4           H        GLY   4 -15.045 -10.312  -9.066
   17    HA2  GLY   4           1HA      GLY   4 -12.309  -9.555  -9.541
   18    HA3  GLY   4           2HA      GLY   4 -13.320  -9.028  -8.200
   19    H    SER   5           H        SER   5 -10.513  -9.655  -8.114
   20    HA   SER   5           HA       SER   5  -9.955 -12.251  -7.105
   21    HB2  SER   5           1HB      SER   5  -8.412  -9.668  -6.668
   22    HB3  SER   5           2HB      SER   5  -7.795 -11.316  -6.430
   23    HG   SER   5           HG       SER   5  -7.231 -10.460  -8.494
   24    H    SER   6           H        SER   6  -9.948 -13.160  -5.135
   25    HA   SER   6           HA       SER   6 -11.600 -12.091  -3.110
   26    HB2  SER   6           1HB      SER   6  -9.695 -14.452  -2.915
   27    HB3  SER   6           2HB      SER   6 -11.120 -14.149  -1.905
   28    HG   SER   6           HG       SER   6 -11.567 -15.625  -3.608
   29    H    GLY   7           H        GLY   7  -8.167 -11.654  -3.440
   30    HA2  GLY   7           1HA      GLY   7  -7.396 -11.471  -0.696
   31    HA3  GLY   7           2HA      GLY   7  -6.553 -10.749  -2.070
   32    H    ILE   8           H        ILE   8  -8.817  -9.100  -2.840
   33    HA   ILE   8           HA       ILE   8  -9.606  -7.067  -2.748
   34    HB   ILE   8           HB       ILE   8 -10.792  -8.529  -0.847
   35   HG12  ILE   8          1HG1      ILE   8 -11.965  -7.239  -2.467
   36   HG13  ILE   8          2HG1      ILE   8 -12.634  -7.014  -0.862
   37   HG21  ILE   8          1HG2      ILE   8  -9.562  -7.649   1.056
   38   HG22  ILE   8          2HG2      ILE   8 -10.090  -5.994   0.677
   39   HG23  ILE   8          3HG2      ILE   8 -11.273  -7.226   1.145
   40   HD11  ILE   8          3HD1      ILE   8 -11.465  -4.771  -0.740
   41   HD12  ILE   8          1HD1      ILE   8 -10.981  -5.007  -2.440
   42   HD13  ILE   8          2HD1      ILE   8 -12.689  -4.909  -2.011
   43    H    LYS   9           H        LYS   9  -7.264  -7.305  -0.090
   44    HA   LYS   9           HA       LYS   9  -6.944  -4.389   0.083
   45    HB2  LYS   9           1HB      LYS   9  -5.521  -6.677   1.513
   46    HB3  LYS   9           2HB      LYS   9  -5.268  -4.964   1.834
   47    HG2  LYS   9           1HG      LYS   9  -7.864  -4.860   2.184
   48    HG3  LYS   9           2HG      LYS   9  -7.754  -6.622   2.334
   49    HD2  LYS   9           1HD      LYS   9  -6.112  -6.336   4.199
   50    HD3  LYS   9           2HD      LYS   9  -6.241  -4.573   4.014
   51    HE2  LYS   9           1HE      LYS   9  -8.788  -4.892   4.337
   52    HE3  LYS   9           2HE      LYS   9  -8.406  -6.533   4.879
   53    HZ1  LYS   9           3HZ      LYS   9  -7.472  -3.988   6.091
   54    HZ2  LYS   9           1HZ      LYS   9  -6.951  -5.469   6.594
   55    HZ3  LYS   9           2HZ      LYS   9  -8.521  -5.040   6.762
   56    H    GLN  10           H        GLN  10  -4.919  -3.316   0.010
   57    HA   GLN  10           HA       GLN  10  -3.256  -4.071  -2.339
   58    HB2  GLN  10           1HB      GLN  10  -3.255  -1.514  -0.685
   59    HB3  GLN  10           2HB      GLN  10  -2.401  -1.802  -2.203
   60    HG2  GLN  10           1HG      GLN  10  -5.423  -1.641  -1.855
   61    HG3  GLN  10           2HG      GLN  10  -4.375  -0.428  -2.576
   62   HE21  GLN  10          1HE2      GLN  10  -3.136  -1.115  -4.621
   63   HE22  GLN  10          2HE2      GLN  10  -3.961  -2.253  -5.672
   64    H    HIS  11           H        HIS  11  -0.857  -4.006  -2.122
   65    HA   HIS  11           HA       HIS  11   0.139  -4.316   0.641
   66    HB2  HIS  11           1HB      HIS  11   1.232  -6.387   0.254
   67    HB3  HIS  11           2HB      HIS  11  -0.463  -6.582  -0.163
   68    HD1  HIS  11           1HD      HIS  11   3.002  -6.339  -1.859
   69    HD2  HIS  11           2HD      HIS  11  -1.029  -7.240  -2.704
   70    HE1  HIS  11           1HE      HIS  11   2.969  -7.363  -4.195
   71    H    CYS  12           H        CYS  12   2.304  -4.115   1.007
   72    HA   CYS  12           HA       CYS  12   3.814  -2.265  -0.613
   73    HB2  CYS  12           1HB      CYS  12   3.822  -2.413   1.853
   74    HB3  CYS  12           2HB      CYS  12   4.577  -4.010   1.752
   75    H    ARG  13           H        ARG  13   5.805  -2.599  -1.549
   76    HA   ARG  13           HA       ARG  13   6.325  -5.317  -2.717
   77    HB2  ARG  13           1HB      ARG  13   7.298  -4.263  -4.637
   78    HB3  ARG  13           2HB      ARG  13   5.675  -3.628  -4.373
   79    HG2  ARG  13           1HG      ARG  13   6.670  -1.567  -3.334
   80    HG3  ARG  13           2HG      ARG  13   8.285  -2.240  -3.605
   81    HD2  ARG  13           1HD      ARG  13   7.841  -0.653  -5.337
   82    HD3  ARG  13           2HD      ARG  13   7.854  -2.275  -6.049
   83    HE   ARG  13           HE       ARG  13   5.170  -1.530  -5.322
   84   HH11  ARG  13          2HH1      ARG  13   7.545  -0.765  -7.780
   85   HH12  ARG  13          1HH1      ARG  13   6.329  -0.320  -8.946
   86   HH21  ARG  13          2HH2      ARG  13   3.669  -0.957  -6.861
   87   HH22  ARG  13          1HH2      ARG  13   4.195  -0.426  -8.430
   88    H    PHE  14           H        PHE  14   7.532  -3.171  -0.446
   89    HA   PHE  14           HA       PHE  14  10.362  -4.091  -0.771
   90    HB2  PHE  14           1HB      PHE  14   9.259  -1.811   0.873
   91    HB3  PHE  14           2HB      PHE  14  10.948  -2.162   0.570
   92    HD1  PHE  14           2HD      PHE  14  11.851  -1.927  -1.818
   93    HD2  PHE  14           1HD      PHE  14   7.976  -0.454  -0.629
   94    HE1  PHE  14           2HE      PHE  14  11.814  -0.415  -3.792
   95    HE2  PHE  14           1HE      PHE  14   7.954   1.073  -2.587
   96    HZ   PHE  14           HZ       PHE  14   9.871   1.085  -4.178
   97    H    CYS  15           H        CYS  15   7.662  -4.071   1.528
   98    HA   CYS  15           HA       CYS  15   9.115  -6.040   3.217
   99    HB2  CYS  15           1HB      CYS  15   8.507  -4.944   5.241
  100    HB3  CYS  15           2HB      CYS  15   9.371  -3.800   4.217
  101    H    LYS  16           H        LYS  16   6.498  -5.626   1.360
  102    HA   LYS  16           HA       LYS  16   4.555  -6.692   0.989
  103    HB2  LYS  16           1HB      LYS  16   5.935  -8.929   2.490
  104    HB3  LYS  16           2HB      LYS  16   4.566  -9.105   1.387
  105    HG2  LYS  16           1HG      LYS  16   5.919  -8.170  -0.473
  106    HG3  LYS  16           2HG      LYS  16   7.321  -8.053   0.610
  107    HD2  LYS  16           1HD      LYS  16   7.248 -10.497   0.987
  108    HD3  LYS  16           2HD      LYS  16   5.852 -10.626  -0.109
  109    HE2  LYS  16           1HE      LYS  16   7.224  -9.692  -1.959
  110    HE3  LYS  16           2HE      LYS  16   8.611  -9.557  -0.871
  111    HZ1  LYS  16           3HZ      LYS  16   8.720 -11.593  -2.191
  112    HZ2  LYS  16           1HZ      LYS  16   7.281 -12.109  -1.623
  113    HZ3  LYS  16           2HZ      LYS  16   8.562 -11.983  -0.616
  114    H    LYS  17           H        LYS  17   4.590  -5.224   3.718
  115    HA   LYS  17           HA       LYS  17   2.408  -6.410   5.203
  116    HB2  LYS  17           1HB      LYS  17   3.265  -3.498   4.897
  117    HB3  LYS  17           2HB      LYS  17   1.987  -4.080   5.973
  118    HG2  LYS  17           1HG      LYS  17   3.661  -5.504   7.177
  119    HG3  LYS  17           2HG      LYS  17   4.929  -4.877   6.117
  120    HD2  LYS  17           1HD      LYS  17   5.048  -3.622   8.153
  121    HD3  LYS  17           2HD      LYS  17   4.377  -2.550   6.921
  122    HE2  LYS  17           1HE      LYS  17   2.048  -3.201   7.818
  123    HE3  LYS  17           2HE      LYS  17   2.883  -4.024   9.141
  124    HZ1  LYS  17           3HZ      LYS  17   2.979  -1.128   8.501
  125    HZ2  LYS  17           1HZ      LYS  17   3.915  -1.824   9.665
  126    HZ3  LYS  17           2HZ      LYS  17   2.287  -1.804   9.812
  127    H    LYS  18           H        LYS  18   0.230  -5.671   5.292
  128    HA   LYS  18           HA       LYS  18  -0.959  -5.026   2.618
  129    HB2  LYS  18           1HB      LYS  18  -1.957  -6.681   4.951
  130    HB3  LYS  18           2HB      LYS  18  -2.953  -6.256   3.543
  131    HG2  LYS  18           1HG      LYS  18  -1.344  -7.420   2.050
  132    HG3  LYS  18           2HG      LYS  18  -0.371  -7.886   3.460
  133    HD2  LYS  18           1HD      LYS  18  -2.376  -9.064   4.404
  134    HD3  LYS  18           2HD      LYS  18  -3.261  -8.720   2.915
  135    HE2  LYS  18           1HE      LYS  18  -0.652 -10.306   3.102
  136    HE3  LYS  18           2HE      LYS  18  -2.261 -11.028   3.064
  137    HZ1  LYS  18           3HZ      LYS  18  -1.076  -9.405   0.876
  138    HZ2  LYS  18           1HZ      LYS  18  -2.591 -10.032   0.859
  139    HZ3  LYS  18           2HZ      LYS  18  -1.295 -11.020   0.861
  140    H    TYR  19           H        TYR  19  -2.563  -3.560   2.415
  141    HA   TYR  19           HA       TYR  19  -3.553  -2.051   4.781
  142    HB2  TYR  19           1HB      TYR  19  -2.310  -0.788   2.311
  143    HB3  TYR  19           2HB      TYR  19  -3.176   0.086   3.568
  144    HD1  TYR  19           1HD      TYR  19  -2.284   0.122   5.938
  145    HD2  TYR  19           2HD      TYR  19   0.001  -1.434   2.625
  146    HE1  TYR  19           1HE      TYR  19  -0.213   0.189   7.328
  147    HE2  TYR  19           2HE      TYR  19   2.069  -1.347   4.008
  148    HH   TYR  19           HH       TYR  19   2.967  -0.778   6.019
  149    H    SER  20           H        SER  20  -5.615  -1.329   4.636
  150    HA   SER  20           HA       SER  20  -7.377  -2.682   2.896
  151    HB2  SER  20           1HB      SER  20  -7.941  -0.257   4.630
  152    HB3  SER  20           2HB      SER  20  -9.125  -1.442   4.048
  153    HG   SER  20           HG       SER  20  -8.338  -1.756   6.247
  154    H    ASP  21           H        ASP  21  -5.736   0.262   2.266
  155    HA   ASP  21           HA       ASP  21  -7.148   0.619  -0.264
  156    HB2  ASP  21           1HB      ASP  21  -7.592   3.016   0.080
  157    HB3  ASP  21           2HB      ASP  21  -8.537   2.006   1.161
  158    H    VAL  22           H        VAL  22  -6.080   2.196  -1.669
  159    HA   VAL  22           HA       VAL  22  -3.258   1.730  -1.737
  160    HB   VAL  22           HB       VAL  22  -4.837   2.031  -3.672
  161   HG11  VAL  22          1HG1      VAL  22  -5.249   4.202  -4.618
  162   HG12  VAL  22          2HG1      VAL  22  -5.913   4.170  -2.978
  163   HG13  VAL  22          3HG1      VAL  22  -4.380   5.013  -3.307
  164   HG21  VAL  22          3HG2      VAL  22  -2.282   3.657  -3.799
  165   HG22  VAL  22          1HG2      VAL  22  -2.401   1.892  -3.959
  166   HG23  VAL  22          2HG2      VAL  22  -3.158   2.944  -5.167
  167    H    LYS  23           H        LYS  23  -5.099   4.406  -0.385
  168    HA   LYS  23           HA       LYS  23  -2.944   6.319  -0.646
  169    HB2  LYS  23           1HB      LYS  23  -5.502   6.402   1.017
  170    HB3  LYS  23           2HB      LYS  23  -4.380   7.756   0.824
  171    HG2  LYS  23           1HG      LYS  23  -4.737   7.737  -1.627
  172    HG3  LYS  23           2HG      LYS  23  -5.873   6.384  -1.461
  173    HD2  LYS  23           1HD      LYS  23  -7.357   7.765  -0.059
  174    HD3  LYS  23           2HD      LYS  23  -6.225   9.134  -0.196
  175    HE2  LYS  23           1HE      LYS  23  -6.519   9.117  -2.666
  176    HE3  LYS  23           2HE      LYS  23  -7.645   7.761  -2.527
  177    HZ1  LYS  23           3HZ      LYS  23  -9.117   9.206  -1.223
  178    HZ2  LYS  23           1HZ      LYS  23  -8.825   9.878  -2.679
  179    HZ3  LYS  23           2HZ      LYS  23  -8.076  10.459  -1.352
  180    H    ASN  24           H        ASN  24  -4.144   4.307   2.035
  181    HA   ASN  24           HA       ASN  24  -2.109   5.102   3.938
  182    HB2  ASN  24           1HB      ASN  24  -3.985   2.722   3.701
  183    HB3  ASN  24           2HB      ASN  24  -2.757   2.813   4.963
  184   HD21  ASN  24          1HD2      ASN  24  -5.718   4.359   3.743
  185   HD22  ASN  24          2HD2      ASN  24  -6.006   5.275   5.225
  186    H    LEU  25           H        LEU  25  -2.147   2.587   1.378
  187    HA   LEU  25           HA       LEU  25   0.423   1.489   2.035
  188    HB2  LEU  25           1HB      LEU  25  -1.075   0.281   0.594
  189    HB3  LEU  25           2HB      LEU  25  -1.172   1.619  -0.542
  190    HG   LEU  25           HG       LEU  25   1.188   1.319  -1.175
  191   HD11  LEU  25          1HD1      LEU  25   2.435  -0.652  -0.466
  192   HD12  LEU  25          2HD1      LEU  25   1.132  -1.139   0.633
  193   HD13  LEU  25          3HD1      LEU  25   2.075   0.336   0.945
  194   HD21  LEU  25          3HD2      LEU  25   0.922  -0.755  -2.398
  195   HD22  LEU  25          1HD2      LEU  25  -0.617   0.122  -2.379
  196   HD23  LEU  25          2HD2      LEU  25  -0.372  -1.276  -1.300
  197    H    ILE  26           H        ILE  26  -0.459   4.152  -0.263
  198    HA   ILE  26           HA       ILE  26   2.234   4.767  -1.001
  199    HB   ILE  26           HB       ILE  26  -0.316   6.409  -1.007
  200   HG12  ILE  26          1HG1      ILE  26   1.344   5.278  -3.312
  201   HG13  ILE  26          2HG1      ILE  26   0.032   4.382  -2.569
  202   HG21  ILE  26          1HG2      ILE  26   0.908   8.056  -2.455
  203   HG22  ILE  26          2HG2      ILE  26   1.522   8.031  -0.815
  204   HG23  ILE  26          3HG2      ILE  26   2.424   7.199  -2.105
  205   HD11  ILE  26          3HD1      ILE  26  -0.253   7.030  -4.043
  206   HD12  ILE  26          1HD1      ILE  26  -0.788   5.434  -4.573
  207   HD13  ILE  26          2HD1      ILE  26  -1.567   6.199  -3.172
  208    H    LYS  27           H        LYS  27   0.244   6.060   1.712
  209    HA   LYS  27           HA       LYS  27   2.244   7.813   2.732
  210    HB2  LYS  27           1HB      LYS  27  -0.181   7.813   3.338
  211    HB3  LYS  27           2HB      LYS  27   0.051   6.309   4.224
  212    HG2  LYS  27           1HG      LYS  27  -0.017   8.191   5.738
  213    HG3  LYS  27           2HG      LYS  27   1.579   7.443   5.791
  214    HD2  LYS  27           1HD      LYS  27   2.529   9.271   4.435
  215    HD3  LYS  27           2HD      LYS  27   0.909   9.921   4.139
  216    HE2  LYS  27           1HE      LYS  27   1.896  11.305   5.799
  217    HE3  LYS  27           2HE      LYS  27   0.663  10.330   6.605
  218    HZ1  LYS  27           3HZ      LYS  27   3.598   9.774   6.647
  219    HZ2  LYS  27           1HZ      LYS  27   2.513   8.843   7.352
  220    HZ3  LYS  27           2HZ      LYS  27   2.721  10.378   7.897
  221    H    HIS  28           H        HIS  28   1.632   4.354   3.536
  222    HA   HIS  28           HA       HIS  28   3.785   3.995   5.354
  223    HB2  HIS  28           1HB      HIS  28   2.201   2.252   5.184
  224    HB3  HIS  28           2HB      HIS  28   2.330   2.155   3.434
  225    HD1  HIS  28           1HD      HIS  28   4.558   1.363   6.496
  226    HD2  HIS  28           2HD      HIS  28   4.095   0.503   2.408
  227    HE1  HIS  28           1HE      HIS  28   6.260  -0.435   5.977
  228    H    ILE  29           H        ILE  29   3.802   3.636   1.759
  229    HA   ILE  29           HA       ILE  29   6.554   2.916   1.566
  230    HB   ILE  29           HB       ILE  29   4.690   4.244  -0.431
  231   HG12  ILE  29          1HG1      ILE  29   5.766   1.383  -0.406
  232   HG13  ILE  29          2HG1      ILE  29   4.271   1.817   0.400
  233   HG21  ILE  29          1HG2      ILE  29   6.368   3.593  -2.174
  234   HG22  ILE  29          2HG2      ILE  29   7.004   4.799  -1.074
  235   HG23  ILE  29          3HG2      ILE  29   7.484   3.094  -0.888
  236   HD11  ILE  29          3HD1      ILE  29   4.801   2.081  -2.584
  237   HD12  ILE  29          1HD1      ILE  29   3.738   0.927  -1.775
  238   HD13  ILE  29          2HD1      ILE  29   3.334   2.656  -1.756
  239    H    ARG  30           H        ARG  30   5.046   6.179   1.362
  240    HA   ARG  30           HA       ARG  30   7.535   7.619   1.095
  241    HB2  ARG  30           1HB      ARG  30   4.768   8.422   2.085
  242    HB3  ARG  30           2HB      ARG  30   6.101   9.565   1.884
  243    HG2  ARG  30           1HG      ARG  30   6.247   9.099  -0.510
  244    HG3  ARG  30           2HG      ARG  30   5.054   7.805  -0.379
  245    HD2  ARG  30           1HD      ARG  30   3.955   9.732  -1.277
  246    HD3  ARG  30           2HD      ARG  30   3.348   9.447   0.365
  247    HE   ARG  30           HE       ARG  30   5.555  11.313   0.387
  248   HH11  ARG  30          2HH2      ARG  30   2.152  11.243  -0.442
  249   HH12  ARG  30          1HH2      ARG  30   1.948  12.946  -0.131
  250   HH21  ARG  30          2HH1      ARG  30   5.224  13.477   0.771
  251   HH22  ARG  30          1HH1      ARG  30   3.649  14.171   0.530
  252    H    ASP  31           H        ASP  31   5.847   6.478   3.994
  253    HA   ASP  31           HA       ASP  31   7.547   7.965   5.831
  254    HB2  ASP  31           1HB      ASP  31   5.623   5.639   6.200
  255    HB3  ASP  31           2HB      ASP  31   6.529   6.365   7.520
  256    H    MET  32           H        MET  32   7.596   4.579   4.639
  257    HA   MET  32           HA       MET  32   9.963   4.050   6.379
  258    HB2  MET  32           1HB      MET  32   7.978   2.110   5.148
  259    HB3  MET  32           2HB      MET  32   9.311   1.713   6.237
  260    HG2  MET  32           1HG      MET  32   8.238   3.385   7.895
  261    HG3  MET  32           2HG      MET  32   6.824   3.328   6.844
  262    HE1  MET  32           3HE      MET  32   9.013   1.547   9.508
  263    HE2  MET  32           1HE      MET  32   8.381  -0.115   9.531
  264    HE3  MET  32           2HE      MET  32   9.341   0.446   8.148
  265    H    HIS  33           H        HIS  33   9.278   4.254   2.963
  266    HA   HIS  33           HA       HIS  33  11.853   2.816   2.374
  267    HB2  HIS  33           1HB      HIS  33   9.308   2.731   0.730
  268    HB3  HIS  33           2HB      HIS  33  10.794   1.836   0.436
  269    HD1  HIS  33           1HD      HIS  33  11.293   0.514   3.256
  270    HD2  HIS  33           2HD      HIS  33   7.557   0.953   1.395
  271    HE1  HIS  33           1HE      HIS  33   9.798  -1.257   4.289
  272    H    ASP  34           H        ASP  34   9.595   5.296   1.202
  273    HA   ASP  34           HA       ASP  34   9.759   6.949  -0.332
  274    HB2  ASP  34           1HB      ASP  34  10.557   7.824   1.808
  275    HB3  ASP  34           2HB      ASP  34  12.219   7.492   1.338
  276    HA   PRO  35           HA       PRO  35  12.929   4.911  -3.130
  277    HB2  PRO  35           1HB      PRO  35  11.274   4.123  -5.170
  278    HB3  PRO  35           2HB      PRO  35  11.543   3.160  -3.685
  279    HG2  PRO  35           1HG      PRO  35   9.259   5.079  -4.263
  280    HG3  PRO  35           2HG      PRO  35   9.159   3.400  -3.646
  281    HD2  PRO  35           1HD      PRO  35   9.070   5.530  -1.971
  282    HD3  PRO  35           2HD      PRO  35   9.946   4.035  -1.513
  283    H    GLN  36           H        GLN  36  14.066   6.124  -4.499
  284    HA   GLN  36           HA       GLN  36  12.916   8.641  -5.532
  285    HB2  GLN  36           1HB      GLN  36  15.189   9.418  -5.711
  286    HB3  GLN  36           2HB      GLN  36  14.847   8.768  -4.124
  287    HG2  GLN  36           1HG      GLN  36  16.995   7.998  -4.550
  288    HG3  GLN  36           2HG      GLN  36  16.000   6.592  -4.864
  289   HE21  GLN  36          1HE2      GLN  36  17.620   5.618  -6.233
  290   HE22  GLN  36          2HE2      GLN  36  18.010   6.309  -7.802
  291    H    ASP  37           H        ASP  37  13.590   5.584  -6.837
  292    HA   ASP  37           HA       ASP  37  13.144   6.545  -9.595
  293    HB2  ASP  37           1HB      ASP  37  15.592   6.444  -9.390
  294    HB3  ASP  37           2HB      ASP  37  15.497   4.790  -8.797
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1 -10.581 -19.724  -6.217
    2    H2   GLY   1           2H       GLY   1 -10.389 -18.863  -7.598
    3    H3   GLY   1           3H       GLY   1 -11.786 -18.750  -6.749
    4    HA2  GLY   1           1HA      GLY   1  -9.143 -17.842  -5.811
    5    HA3  GLY   1           2HA      GLY   1 -10.435 -16.784  -6.405
    6    H    SER   2           H        SER   2  -9.131 -16.806  -3.765
    7    HA   SER   2           HA       SER   2 -11.047 -17.843  -1.825
    8    HB2  SER   2           1HB      SER   2  -9.563 -16.697  -0.187
    9    HB3  SER   2           2HB      SER   2  -8.739 -17.863  -1.230
   10    HG   SER   2           HG       SER   2  -7.572 -15.888  -1.030
   11    H    SER   3           H        SER   3 -12.129 -16.557  -0.225
   12    HA   SER   3           HA       SER   3 -13.494 -14.208  -1.338
   13    HB2  SER   3           1HB      SER   3 -14.943 -14.456   0.652
   14    HB3  SER   3           2HB      SER   3 -14.839 -15.924  -0.332
   15    HG   SER   3           HG       SER   3 -14.631 -16.365   1.917
   16    H    GLY   4           H        GLY   4 -13.933 -12.308   0.020
   17    HA2  GLY   4           1HA      GLY   4 -12.276 -11.565   2.247
   18    HA3  GLY   4           2HA      GLY   4 -11.674 -10.827   0.759
   19    H    SER   5           H        SER   5 -12.491  -9.204   2.774
   20    HA   SER   5           HA       SER   5 -15.280  -8.492   2.728
   21    HB2  SER   5           1HB      SER   5 -13.705  -8.118   4.623
   22    HB3  SER   5           2HB      SER   5 -12.914  -6.838   3.681
   23    HG   SER   5           HG       SER   5 -14.550  -6.064   5.145
   24    H    SER   6           H        SER   6 -12.459  -7.179   0.982
   25    HA   SER   6           HA       SER   6 -14.223  -5.989  -1.027
   26    HB2  SER   6           1HB      SER   6 -13.183  -3.766  -0.944
   27    HB3  SER   6           2HB      SER   6 -14.064  -4.140   0.540
   28    HG   SER   6           HG       SER   6 -12.051  -3.216   1.010
   29    H    GLY   7           H        GLY   7 -13.227  -5.585  -3.017
   30    HA2  GLY   7           1HA      GLY   7 -10.919  -7.289  -3.577
   31    HA3  GLY   7           2HA      GLY   7 -11.939  -6.444  -4.737
   32    H    ILE   8           H        ILE   8 -11.119  -3.989  -2.786
   33    HA   ILE   8           HA       ILE   8  -9.044  -3.081  -4.665
   34    HB   ILE   8           HB       ILE   8  -9.538  -0.819  -3.730
   35   HG12  ILE   8          1HG1      ILE   8 -11.624  -0.425  -2.536
   36   HG13  ILE   8          2HG1      ILE   8 -11.914  -2.149  -2.347
   37   HG21  ILE   8          1HG2      ILE   8 -11.896  -2.370  -4.870
   38   HG22  ILE   8          2HG2      ILE   8 -11.639  -0.616  -4.950
   39   HG23  ILE   8          3HG2      ILE   8 -10.533  -1.705  -5.798
   40   HD11  ILE   8          3HD1      ILE   8 -11.060  -0.998  -0.292
   41   HD12  ILE   8          1HD1      ILE   8 -10.036  -2.345  -0.801
   42   HD13  ILE   8          2HD1      ILE   8  -9.537  -0.666  -1.140
   43    H    LYS   9           H        LYS   9  -8.684  -4.666  -1.864
   44    HA   LYS   9           HA       LYS   9  -6.795  -3.003  -0.447
   45    HB2  LYS   9           1HB      LYS   9  -7.241  -6.009  -0.228
   46    HB3  LYS   9           2HB      LYS   9  -6.338  -4.986   0.898
   47    HG2  LYS   9           1HG      LYS   9  -8.553  -3.587   1.051
   48    HG3  LYS   9           2HG      LYS   9  -9.326  -5.014   0.353
   49    HD2  LYS   9           1HD      LYS   9  -8.522  -6.398   2.240
   50    HD3  LYS   9           2HD      LYS   9  -7.628  -5.007   2.889
   51    HE2  LYS   9           1HE      LYS   9  -9.914  -3.773   2.884
   52    HE3  LYS   9           2HE      LYS   9 -10.643  -5.364   2.664
   53    HZ1  LYS   9           3HZ      LYS   9 -10.503  -4.800   5.016
   54    HZ2  LYS   9           1HZ      LYS   9  -8.900  -4.505   4.919
   55    HZ3  LYS   9           2HZ      LYS   9  -9.467  -6.040   4.748
   56    H    GLN  10           H        GLN  10  -4.587  -3.356  -0.068
   57    HA   GLN  10           HA       GLN  10  -3.055  -4.283  -2.477
   58    HB2  GLN  10           1HB      GLN  10  -2.677  -1.674  -0.955
   59    HB3  GLN  10           2HB      GLN  10  -1.781  -2.207  -2.378
   60    HG2  GLN  10           1HG      GLN  10  -4.730  -1.444  -2.285
   61    HG3  GLN  10           2HG      GLN  10  -3.420  -0.485  -2.943
   62   HE21  GLN  10          1HE2      GLN  10  -5.949  -1.897  -4.135
   63   HE22  GLN  10          2HE2      GLN  10  -5.268  -2.624  -5.593
   64    H    HIS  11           H        HIS  11  -0.652  -4.355  -2.068
   65    HA   HIS  11           HA       HIS  11   0.122  -4.553   0.756
   66    HB2  HIS  11           1HB      HIS  11   1.301  -6.642   0.524
   67    HB3  HIS  11           2HB      HIS  11  -0.399  -6.870   0.146
   68    HD1  HIS  11           1HD      HIS  11  -0.963  -7.593  -2.402
   69    HD2  HIS  11           2HD      HIS  11   3.094  -6.924  -1.500
   70    HE1  HIS  11           1HE      HIS  11   0.368  -8.505  -4.376
   71    H    CYS  12           H        CYS  12   2.308  -4.259   1.206
   72    HA   CYS  12           HA       CYS  12   3.610  -2.303  -0.395
   73    HB2  CYS  12           1HB      CYS  12   3.683  -2.414   2.045
   74    HB3  CYS  12           2HB      CYS  12   4.565  -3.948   1.970
   75    H    ARG  13           H        ARG  13   5.185  -2.318  -1.813
   76    HA   ARG  13           HA       ARG  13   6.056  -4.774  -3.118
   77    HB2  ARG  13           1HB      ARG  13   5.678  -2.633  -4.317
   78    HB3  ARG  13           2HB      ARG  13   6.967  -1.870  -3.391
   79    HG2  ARG  13           1HG      ARG  13   7.711  -2.409  -5.640
   80    HG3  ARG  13           2HG      ARG  13   8.646  -3.325  -4.458
   81    HD2  ARG  13           1HD      ARG  13   7.278  -5.339  -4.921
   82    HD3  ARG  13           2HD      ARG  13   6.281  -4.403  -6.057
   83    HE   ARG  13           HE       ARG  13   9.013  -4.183  -6.841
   84   HH11  ARG  13          2HH1      ARG  13   6.519  -6.647  -6.804
   85   HH12  ARG  13          1HH1      ARG  13   7.234  -7.516  -8.135
   86   HH21  ARG  13          2HH2      ARG  13   9.865  -5.339  -8.537
   87   HH22  ARG  13          1HH2      ARG  13   9.076  -6.788  -9.085
   88    H    PHE  14           H        PHE  14   7.346  -2.780  -0.558
   89    HA   PHE  14           HA       PHE  14  10.078  -3.893  -0.885
   90    HB2  PHE  14           1HB      PHE  14   9.081  -1.675   0.905
   91    HB3  PHE  14           2HB      PHE  14  10.754  -2.067   0.555
   92    HD1  PHE  14           2HD      PHE  14  11.713  -1.608  -1.718
   93    HD2  PHE  14           1HD      PHE  14   7.716  -0.382  -0.651
   94    HE1  PHE  14           2HE      PHE  14  11.654  -0.077  -3.676
   95    HE2  PHE  14           1HE      PHE  14   7.661   1.144  -2.608
   96    HZ   PHE  14           HZ       PHE  14   9.627   1.292  -4.127
   97    H    CYS  15           H        CYS  15   7.443  -3.906   1.516
   98    HA   CYS  15           HA       CYS  15   8.947  -5.968   3.044
   99    HB2  CYS  15           1HB      CYS  15   8.537  -4.962   5.121
  100    HB3  CYS  15           2HB      CYS  15   9.305  -3.778   4.079
  101    H    LYS  16           H        LYS  16   6.308  -5.661   1.288
  102    HA   LYS  16           HA       LYS  16   4.445  -6.893   0.951
  103    HB2  LYS  16           1HB      LYS  16   6.240  -8.864   2.368
  104    HB3  LYS  16           2HB      LYS  16   4.676  -9.332   1.732
  105    HG2  LYS  16           1HG      LYS  16   6.304  -9.911   0.131
  106    HG3  LYS  16           2HG      LYS  16   5.299  -8.625  -0.532
  107    HD2  LYS  16           1HD      LYS  16   7.092  -6.997  -0.247
  108    HD3  LYS  16           2HD      LYS  16   8.074  -8.174   0.661
  109    HE2  LYS  16           1HE      LYS  16   8.166  -9.625  -1.348
  110    HE3  LYS  16           2HE      LYS  16   7.164  -8.474  -2.239
  111    HZ1  LYS  16           3HZ      LYS  16   9.541  -8.184  -2.707
  112    HZ2  LYS  16           1HZ      LYS  16   9.856  -7.856  -1.140
  113    HZ3  LYS  16           2HZ      LYS  16   8.930  -6.829  -2.030
  114    H    LYS  17           H        LYS  17   4.467  -5.411   3.702
  115    HA   LYS  17           HA       LYS  17   2.353  -6.713   5.189
  116    HB2  LYS  17           1HB      LYS  17   3.152  -3.781   5.052
  117    HB3  LYS  17           2HB      LYS  17   2.018  -4.493   6.216
  118    HG2  LYS  17           1HG      LYS  17   3.781  -5.858   7.203
  119    HG3  LYS  17           2HG      LYS  17   4.916  -5.392   5.927
  120    HD2  LYS  17           1HD      LYS  17   4.734  -2.998   6.692
  121    HD3  LYS  17           2HD      LYS  17   3.725  -3.544   8.035
  122    HE2  LYS  17           1HE      LYS  17   6.037  -3.215   8.754
  123    HE3  LYS  17           2HE      LYS  17   5.575  -4.912   8.912
  124    HZ1  LYS  17           3HZ      LYS  17   7.811  -4.510   7.866
  125    HZ2  LYS  17           1HZ      LYS  17   7.055  -3.873   6.546
  126    HZ3  LYS  17           2HZ      LYS  17   6.818  -5.428   6.947
  127    H    LYS  18           H        LYS  18   0.181  -6.234   5.289
  128    HA   LYS  18           HA       LYS  18  -1.085  -5.541   2.694
  129    HB2  LYS  18           1HB      LYS  18  -2.013  -6.936   5.217
  130    HB3  LYS  18           2HB      LYS  18  -3.101  -6.563   3.862
  131    HG2  LYS  18           1HG      LYS  18  -1.635  -7.864   2.324
  132    HG3  LYS  18           2HG      LYS  18  -0.607  -8.322   3.686
  133    HD2  LYS  18           1HD      LYS  18  -3.568  -9.004   3.404
  134    HD3  LYS  18           2HD      LYS  18  -2.220 -10.090   3.031
  135    HE2  LYS  18           1HE      LYS  18  -1.444  -9.932   5.398
  136    HE3  LYS  18           2HE      LYS  18  -2.832  -8.902   5.776
  137    HZ1  LYS  18           3HZ      LYS  18  -4.291 -10.754   5.146
  138    HZ2  LYS  18           1HZ      LYS  18  -3.278 -11.220   6.335
  139    HZ3  LYS  18           2HZ      LYS  18  -3.008 -11.706   4.802
  140    H    TYR  19           H        TYR  19  -2.628  -4.050   2.383
  141    HA   TYR  19           HA       TYR  19  -3.396  -2.174   4.569
  142    HB2  TYR  19           1HB      TYR  19  -2.007  -1.531   1.955
  143    HB3  TYR  19           2HB      TYR  19  -3.051  -0.354   2.739
  144    HD1  TYR  19           1HD      TYR  19  -2.524   0.636   4.891
  145    HD2  TYR  19           2HD      TYR  19   0.167  -2.169   3.024
  146    HE1  TYR  19           1HE      TYR  19  -0.760   1.234   6.544
  147    HE2  TYR  19           2HE      TYR  19   1.930  -1.576   4.681
  148    HH   TYR  19           HH       TYR  19   2.432  -0.385   6.569
  149    H    SER  20           H        SER  20  -5.450  -1.562   4.558
  150    HA   SER  20           HA       SER  20  -7.311  -2.730   2.697
  151    HB2  SER  20           1HB      SER  20  -7.702  -0.765   4.973
  152    HB3  SER  20           2HB      SER  20  -9.019  -1.550   4.084
  153    HG   SER  20           HG       SER  20  -8.134  -2.554   6.142
  154    H    ASP  21           H        ASP  21  -5.574   0.188   2.432
  155    HA   ASP  21           HA       ASP  21  -7.233   1.018   0.150
  156    HB2  ASP  21           1HB      ASP  21  -8.138   2.223   2.180
  157    HB3  ASP  21           2HB      ASP  21  -6.558   2.980   2.382
  158    H    VAL  22           H        VAL  22  -6.061   2.016  -1.460
  159    HA   VAL  22           HA       VAL  22  -3.252   1.583  -1.543
  160    HB   VAL  22           HB       VAL  22  -4.801   1.643  -3.470
  161   HG11  VAL  22          1HG1      VAL  22  -5.386   3.659  -4.627
  162   HG12  VAL  22          2HG1      VAL  22  -6.020   3.761  -2.979
  163   HG13  VAL  22          3HG1      VAL  22  -4.555   4.664  -3.432
  164   HG21  VAL  22          3HG2      VAL  22  -3.209   2.501  -5.079
  165   HG22  VAL  22          1HG2      VAL  22  -2.387   3.444  -3.822
  166   HG23  VAL  22          2HG2      VAL  22  -2.350   1.669  -3.773
  167    H    LYS  23           H        LYS  23  -5.063   4.523  -0.615
  168    HA   LYS  23           HA       LYS  23  -2.730   6.206  -0.949
  169    HB2  LYS  23           1HB      LYS  23  -5.285   6.723   0.644
  170    HB3  LYS  23           2HB      LYS  23  -4.083   7.937   0.242
  171    HG2  LYS  23           1HG      LYS  23  -5.852   6.417  -1.723
  172    HG3  LYS  23           2HG      LYS  23  -6.042   8.087  -1.227
  173    HD2  LYS  23           1HD      LYS  23  -3.748   6.933  -2.866
  174    HD3  LYS  23           2HD      LYS  23  -5.059   7.922  -3.473
  175    HE2  LYS  23           1HE      LYS  23  -2.969   8.858  -1.451
  176    HE3  LYS  23           2HE      LYS  23  -2.889   9.137  -3.189
  177    HZ1  LYS  23           3HZ      LYS  23  -5.046  10.167  -1.421
  178    HZ2  LYS  23           1HZ      LYS  23  -4.968  10.395  -3.038
  179    HZ3  LYS  23           2HZ      LYS  23  -3.838  11.053  -2.067
  180    H    ASN  24           H        ASN  24  -4.097   4.392   1.735
  181    HA   ASN  24           HA       ASN  24  -2.297   5.363   3.780
  182    HB2  ASN  24           1HB      ASN  24  -4.529   4.164   4.090
  183    HB3  ASN  24           2HB      ASN  24  -3.716   2.666   3.632
  184   HD21  ASN  24          2HD2      ASN  24  -4.743   2.277   5.912
  185   HD22  ASN  24          1HD2      ASN  24  -3.654   2.583   7.256
  186    H    LEU  25           H        LEU  25  -2.138   2.625   1.440
  187    HA   LEU  25           HA       LEU  25   0.434   1.697   2.286
  188    HB2  LEU  25           1HB      LEU  25  -0.987   0.308   0.918
  189    HB3  LEU  25           2HB      LEU  25  -1.008   1.500  -0.379
  190    HG   LEU  25           HG       LEU  25   1.388   1.161  -0.797
  191   HD11  LEU  25          1HD1      LEU  25   2.060   0.454   1.552
  192   HD12  LEU  25          2HD1      LEU  25   2.687  -0.544   0.259
  193   HD13  LEU  25          3HD1      LEU  25   1.306  -1.119   1.222
  194   HD21  LEU  25          3HD2      LEU  25  -0.267  -0.224  -1.976
  195   HD22  LEU  25          1HD2      LEU  25  -0.134  -1.461  -0.700
  196   HD23  LEU  25          2HD2      LEU  25   1.264  -1.080  -1.730
  197    H    ILE  26           H        ILE  26  -0.440   4.173  -0.209
  198    HA   ILE  26           HA       ILE  26   2.251   4.736  -0.986
  199    HB   ILE  26           HB       ILE  26  -0.283   6.394  -1.072
  200   HG12  ILE  26          1HG1      ILE  26   1.368   5.139  -3.319
  201   HG13  ILE  26          2HG1      ILE  26   0.063   4.278  -2.521
  202   HG21  ILE  26          1HG2      ILE  26   0.923   7.964  -2.592
  203   HG22  ILE  26          2HG2      ILE  26   1.592   8.004  -0.973
  204   HG23  ILE  26          3HG2      ILE  26   2.441   7.111  -2.256
  205   HD11  ILE  26          3HD1      ILE  26  -0.769   5.216  -4.577
  206   HD12  ILE  26          1HD1      ILE  26  -1.546   6.044  -3.214
  207   HD13  ILE  26          2HD1      ILE  26  -0.244   6.844  -4.129
  208    H    LYS  27           H        LYS  27   0.292   6.201   1.653
  209    HA   LYS  27           HA       LYS  27   2.353   7.934   2.657
  210    HB2  LYS  27           1HB      LYS  27  -0.027   6.588   3.995
  211    HB3  LYS  27           2HB      LYS  27   1.058   7.694   4.846
  212    HG2  LYS  27           1HG      LYS  27   0.553   9.502   3.283
  213    HG3  LYS  27           2HG      LYS  27  -0.483   8.439   2.321
  214    HD2  LYS  27           1HD      LYS  27  -1.993   8.132   4.267
  215    HD3  LYS  27           2HD      LYS  27  -0.949   9.193   5.241
  216    HE2  LYS  27           1HE      LYS  27  -1.344  11.044   3.616
  217    HE3  LYS  27           2HE      LYS  27  -2.412   9.989   2.682
  218    HZ1  LYS  27           3HZ      LYS  27  -3.869   9.850   4.638
  219    HZ2  LYS  27           1HZ      LYS  27  -3.672  11.408   4.200
  220    HZ3  LYS  27           2HZ      LYS  27  -2.878  10.825   5.498
  221    H    HIS  28           H        HIS  28   1.657   4.503   3.514
  222    HA   HIS  28           HA       HIS  28   3.809   4.170   5.352
  223    HB2  HIS  28           1HB      HIS  28   2.182   2.463   5.235
  224    HB3  HIS  28           2HB      HIS  28   2.341   2.274   3.500
  225    HD1  HIS  28           1HD      HIS  28   4.277   1.371   6.699
  226    HD2  HIS  28           2HD      HIS  28   4.192   0.631   2.565
  227    HE1  HIS  28           1HE      HIS  28   5.923  -0.521   6.301
  228    H    ILE  29           H        ILE  29   3.824   3.720   1.766
  229    HA   ILE  29           HA       ILE  29   6.560   2.948   1.602
  230    HB   ILE  29           HB       ILE  29   4.716   4.233  -0.435
  231   HG12  ILE  29          1HG1      ILE  29   5.787   1.374  -0.303
  232   HG13  ILE  29          2HG1      ILE  29   4.284   1.844   0.469
  233   HG21  ILE  29          1HG2      ILE  29   6.389   3.536  -2.167
  234   HG22  ILE  29          2HG2      ILE  29   7.034   4.771  -1.104
  235   HG23  ILE  29          3HG2      ILE  29   7.510   3.076  -0.873
  236   HD11  ILE  29          3HD1      ILE  29   3.377   2.594  -1.732
  237   HD12  ILE  29          1HD1      ILE  29   4.847   1.968  -2.516
  238   HD13  ILE  29          2HD1      ILE  29   3.766   0.863  -1.661
  239    H    ARG  30           H        ARG  30   5.141   6.257   1.306
  240    HA   ARG  30           HA       ARG  30   7.743   7.525   0.986
  241    HB2  ARG  30           1HB      ARG  30   4.915   8.481   1.516
  242    HB3  ARG  30           2HB      ARG  30   6.259   9.586   1.762
  243    HG2  ARG  30           1HG      ARG  30   5.381   9.908  -0.450
  244    HG3  ARG  30           2HG      ARG  30   7.032   9.290  -0.535
  245    HD2  ARG  30           1HD      ARG  30   6.158   7.030  -1.054
  246    HD3  ARG  30           2HD      ARG  30   4.498   7.664  -0.961
  247    HE   ARG  30           HE       ARG  30   5.887   9.261  -2.816
  248   HH11  ARG  30          2HH1      ARG  30   4.881   5.913  -2.646
  249   HH12  ARG  30          1HH1      ARG  30   4.794   5.755  -4.380
  250   HH21  ARG  30          2HH2      ARG  30   5.751   8.993  -5.018
  251   HH22  ARG  30          1HH2      ARG  30   5.269   7.461  -5.681
  252    H    ASP  31           H        ASP  31   5.993   6.585   3.888
  253    HA   ASP  31           HA       ASP  31   7.757   8.161   5.617
  254    HB2  ASP  31           1HB      ASP  31   5.356   7.723   6.096
  255    HB3  ASP  31           2HB      ASP  31   5.733   6.012   6.319
  256    H    MET  32           H        MET  32   7.591   4.738   4.612
  257    HA   MET  32           HA       MET  32   9.807   4.045   6.480
  258    HB2  MET  32           1HB      MET  32   7.809   2.323   4.972
  259    HB3  MET  32           2HB      MET  32   9.062   1.708   6.038
  260    HG2  MET  32           1HG      MET  32   6.796   3.557   6.865
  261    HG3  MET  32           2HG      MET  32   6.872   1.827   7.153
  262    HE1  MET  32           3HE      MET  32   9.900   1.295   8.149
  263    HE2  MET  32           1HE      MET  32   9.620   1.435   9.895
  264    HE3  MET  32           2HE      MET  32   8.420   0.618   8.871
  265    H    HIS  33           H        HIS  33   9.263   4.233   2.999
  266    HA   HIS  33           HA       HIS  33  11.856   2.789   2.529
  267    HB2  HIS  33           1HB      HIS  33   9.368   2.695   0.801
  268    HB3  HIS  33           2HB      HIS  33  10.845   1.761   0.595
  269    HD1  HIS  33           1HD      HIS  33  11.229   0.482   3.427
  270    HD2  HIS  33           2HD      HIS  33   7.537   1.016   1.509
  271    HE1  HIS  33           1HE      HIS  33   9.652  -1.196   4.491
  272    H    ASP  34           H        ASP  34   9.690   5.311   1.308
  273    HA   ASP  34           HA       ASP  34   9.934   7.003  -0.173
  274    HB2  ASP  34           1HB      ASP  34  10.762   7.769   2.001
  275    HB3  ASP  34           2HB      ASP  34  12.408   7.389   1.517
  276    HA   PRO  35           HA       PRO  35  13.003   4.980  -3.089
  277    HB2  PRO  35           1HB      PRO  35  11.287   4.404  -5.150
  278    HB3  PRO  35           2HB      PRO  35  11.533   3.329  -3.740
  279    HG2  PRO  35           1HG      PRO  35   9.329   5.384  -4.145
  280    HG3  PRO  35           2HG      PRO  35   9.161   3.670  -3.649
  281    HD2  PRO  35           1HD      PRO  35   9.187   5.670  -1.821
  282    HD3  PRO  35           2HD      PRO  35  10.009   4.115  -1.486
  283    H    GLN  36           H        GLN  36  14.092   6.094  -4.624
  284    HA   GLN  36           HA       GLN  36  12.925   8.601  -5.760
  285    HB2  GLN  36           1HB      GLN  36  14.921   9.813  -5.168
  286    HB3  GLN  36           2HB      GLN  36  14.194   9.104  -3.728
  287    HG2  GLN  36           1HG      GLN  36  15.889   7.287  -3.749
  288    HG3  GLN  36           2HG      GLN  36  16.601   7.953  -5.220
  289   HE21  GLN  36          1HE2      GLN  36  18.453   7.690  -3.410
  290   HE22  GLN  36          2HE2      GLN  36  18.786   9.197  -2.563
  291    H    ASP  37           H        ASP  37  14.168   5.731  -6.719
  292    HA   ASP  37           HA       ASP  37  15.067   6.749  -9.338
  293    HB2  ASP  37           1HB      ASP  37  17.135   6.656  -7.997
  294    HB3  ASP  37           2HB      ASP  37  16.807   4.979  -7.577
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -10.082 -15.831 -14.413
    2    H2   GLY   1           2H       GLY   1  -8.583 -15.340 -13.965
    3    H3   GLY   1           3H       GLY   1  -9.315 -14.656 -15.260
    4    HA2  GLY   1           1HA      GLY   1 -11.017 -13.678 -13.873
    5    HA3  GLY   1           2HA      GLY   1 -10.246 -14.437 -12.469
    6    H    SER   2           H        SER   2 -10.743 -11.568 -13.108
    7    HA   SER   2           HA       SER   2  -8.063 -10.403 -13.518
    8    HB2  SER   2           1HB      SER   2  -9.336  -8.286 -13.728
    9    HB3  SER   2           2HB      SER   2  -9.862  -9.544 -14.857
   10    HG   SER   2           HG       SER   2 -11.636  -8.488 -13.826
   11    H    SER   3           H        SER   3  -9.384 -11.586 -10.830
   12    HA   SER   3           HA       SER   3  -8.362  -9.453  -9.001
   13    HB2  SER   3           1HB      SER   3 -10.139 -10.090  -7.441
   14    HB3  SER   3           2HB      SER   3 -10.805  -9.542  -8.985
   15    HG   SER   3           HG       SER   3 -11.821 -11.465  -8.240
   16    H    GLY   4           H        GLY   4  -8.046 -10.466  -6.692
   17    HA2  GLY   4           1HA      GLY   4  -6.945 -11.924  -5.284
   18    HA3  GLY   4           2HA      GLY   4  -7.355 -13.229  -6.395
   19    H    SER   5           H        SER   5  -5.773 -14.084  -7.663
   20    HA   SER   5           HA       SER   5  -2.984 -13.358  -7.377
   21    HB2  SER   5           1HB      SER   5  -4.328 -15.170  -9.418
   22    HB3  SER   5           2HB      SER   5  -2.596 -15.113  -9.036
   23    HG   SER   5           HG       SER   5  -3.676 -16.816  -7.928
   24    H    SER   6           H        SER   6  -5.460 -12.077  -9.363
   25    HA   SER   6           HA       SER   6  -3.485 -10.706 -11.147
   26    HB2  SER   6           1HB      SER   6  -5.016 -12.385 -12.276
   27    HB3  SER   6           2HB      SER   6  -6.372 -11.351 -11.805
   28    HG   SER   6           HG       SER   6  -4.271 -10.875 -13.643
   29    H    GLY   7           H        GLY   7  -4.376  -8.596 -11.988
   30    HA2  GLY   7           1HA      GLY   7  -5.251  -6.471 -11.687
   31    HA3  GLY   7           2HA      GLY   7  -6.258  -7.079 -10.381
   32    H    ILE   8           H        ILE   8  -5.670  -4.840  -9.650
   33    HA   ILE   8           HA       ILE   8  -3.017  -4.290  -8.653
   34    HB   ILE   8           HB       ILE   8  -4.403  -2.551  -9.477
   35   HG12  ILE   8          1HG1      ILE   8  -2.720  -2.170  -7.559
   36   HG13  ILE   8          2HG1      ILE   8  -3.781  -0.884  -8.093
   37   HG21  ILE   8          1HG2      ILE   8  -6.384  -1.661  -8.299
   38   HG22  ILE   8          2HG2      ILE   8  -6.651  -3.275  -8.955
   39   HG23  ILE   8          3HG2      ILE   8  -6.370  -3.069  -7.217
   40   HD11  ILE   8          3HD1      ILE   8  -4.351  -2.541  -5.605
   41   HD12  ILE   8          1HD1      ILE   8  -3.513  -0.981  -5.625
   42   HD13  ILE   8          2HD1      ILE   8  -5.198  -1.081  -6.150
   43    H    LYS   9           H        LYS   9  -2.152  -4.442  -6.670
   44    HA   LYS   9           HA       LYS   9  -3.665  -5.939  -4.577
   45    HB2  LYS   9           1HB      LYS   9  -1.618  -6.896  -3.843
   46    HB3  LYS   9           2HB      LYS   9  -1.730  -7.114  -5.586
   47    HG2  LYS   9           1HG      LYS   9  -0.176  -5.136  -5.876
   48    HG3  LYS   9           2HG      LYS   9  -0.007  -5.063  -4.112
   49    HD2  LYS   9           1HD      LYS   9   0.898  -7.401  -4.121
   50    HD3  LYS   9           2HD      LYS   9   0.710  -7.437  -5.876
   51    HE2  LYS   9           1HE      LYS   9   2.971  -6.936  -5.601
   52    HE3  LYS   9           2HE      LYS   9   2.231  -5.381  -5.982
   53    HZ1  LYS   9           3HZ      LYS   9   3.035  -6.329  -3.274
   54    HZ2  LYS   9           1HZ      LYS   9   2.263  -4.910  -3.530
   55    HZ3  LYS   9           2HZ      LYS   9   3.759  -5.159  -4.133
   56    H    GLN  10           H        GLN  10  -3.600  -5.372  -2.455
   57    HA   GLN  10           HA       GLN  10  -2.635  -2.636  -1.802
   58    HB2  GLN  10           1HB      GLN  10  -4.716  -4.273  -0.322
   59    HB3  GLN  10           2HB      GLN  10  -4.185  -2.627   0.023
   60    HG2  GLN  10           1HG      GLN  10  -6.181  -2.293  -1.116
   61    HG3  GLN  10           2HG      GLN  10  -4.938  -1.956  -2.306
   62   HE21  GLN  10          1HE2      GLN  10  -6.787  -2.287  -3.874
   63   HE22  GLN  10          2HE2      GLN  10  -7.143  -3.942  -4.346
   64    H    HIS  11           H        HIS  11  -0.891  -4.947  -1.966
   65    HA   HIS  11           HA       HIS  11   0.200  -5.064   0.805
   66    HB2  HIS  11           1HB      HIS  11   0.718  -6.886  -1.570
   67    HB3  HIS  11           2HB      HIS  11   1.523  -6.986  -0.009
   68    HD1  HIS  11           1HD      HIS  11  -1.758  -7.950  -1.687
   69    HD2  HIS  11           2HD      HIS  11   0.162  -8.040   2.054
   70    HE1  HIS  11           1HE      HIS  11  -3.111  -9.540  -0.231
   71    H    CYS  12           H        CYS  12   2.256  -4.375   1.173
   72    HA   CYS  12           HA       CYS  12   3.385  -2.323  -0.339
   73    HB2  CYS  12           1HB      CYS  12   3.582  -2.656   2.052
   74    HB3  CYS  12           2HB      CYS  12   4.546  -4.111   1.814
   75    H    ARG  13           H        ARG  13   5.378  -2.061  -1.258
   76    HA   ARG  13           HA       ARG  13   6.156  -4.109  -3.270
   77    HB2  ARG  13           1HB      ARG  13   5.642  -1.799  -3.944
   78    HB3  ARG  13           2HB      ARG  13   6.895  -1.175  -2.876
   79    HG2  ARG  13           1HG      ARG  13   8.642  -2.278  -4.218
   80    HG3  ARG  13           2HG      ARG  13   7.414  -3.005  -5.269
   81    HD2  ARG  13           1HD      ARG  13   7.859  -0.013  -4.879
   82    HD3  ARG  13           2HD      ARG  13   8.549  -0.968  -6.202
   83    HE   ARG  13           HE       ARG  13   5.797  -1.447  -6.309
   84   HH11  ARG  13          2HH1      ARG  13   7.836   1.374  -6.694
   85   HH12  ARG  13          1HH1      ARG  13   6.697   2.169  -7.746
   86   HH21  ARG  13          2HH2      ARG  13   4.385  -0.376  -7.657
   87   HH22  ARG  13          1HH2      ARG  13   4.801   1.194  -8.277
   88    H    PHE  14           H        PHE  14   7.343  -2.805  -0.274
   89    HA   PHE  14           HA       PHE  14  10.073  -3.953  -0.776
   90    HB2  PHE  14           1HB      PHE  14   9.247  -1.636   0.976
   91    HB3  PHE  14           2HB      PHE  14  10.890  -2.185   0.693
   92    HD1  PHE  14           2HD      PHE  14  11.920  -1.953  -1.609
   93    HD2  PHE  14           1HD      PHE  14   8.127  -0.170  -0.593
   94    HE1  PHE  14           2HE      PHE  14  12.108  -0.429  -3.563
   95    HE2  PHE  14           1HE      PHE  14   8.323   1.357  -2.542
   96    HZ   PHE  14           HZ       PHE  14  10.317   1.232  -4.026
   97    H    CYS  15           H        CYS  15   7.423  -3.974   1.561
   98    HA   CYS  15           HA       CYS  15   8.907  -6.057   3.088
   99    HB2  CYS  15           1HB      CYS  15   8.175  -5.205   5.187
  100    HB3  CYS  15           2HB      CYS  15   9.054  -3.951   4.319
  101    H    LYS  16           H        LYS  16   6.356  -5.617   1.173
  102    HA   LYS  16           HA       LYS  16   4.405  -6.630   0.688
  103    HB2  LYS  16           1HB      LYS  16   5.748  -8.990   2.034
  104    HB3  LYS  16           2HB      LYS  16   4.385  -9.073   0.911
  105    HG2  LYS  16           1HG      LYS  16   5.764  -8.032  -0.870
  106    HG3  LYS  16           2HG      LYS  16   7.156  -7.987   0.232
  107    HD2  LYS  16           1HD      LYS  16   7.075 -10.449   0.453
  108    HD3  LYS  16           2HD      LYS  16   5.692 -10.505  -0.666
  109    HE2  LYS  16           1HE      LYS  16   7.088  -9.459  -2.436
  110    HE3  LYS  16           2HE      LYS  16   8.460  -9.394  -1.324
  111    HZ1  LYS  16           3HZ      LYS  16   7.142 -11.892  -2.253
  112    HZ2  LYS  16           1HZ      LYS  16   8.411 -11.830  -1.224
  113    HZ3  LYS  16           2HZ      LYS  16   8.588 -11.341  -2.769
  114    H    LYS  17           H        LYS  17   4.573  -5.561   3.677
  115    HA   LYS  17           HA       LYS  17   2.385  -6.854   5.021
  116    HB2  LYS  17           1HB      LYS  17   3.413  -3.990   5.221
  117    HB3  LYS  17           2HB      LYS  17   2.241  -4.740   6.316
  118    HG2  LYS  17           1HG      LYS  17   3.916  -6.444   6.978
  119    HG3  LYS  17           2HG      LYS  17   5.104  -5.712   5.883
  120    HD2  LYS  17           1HD      LYS  17   4.935  -3.570   7.165
  121    HD3  LYS  17           2HD      LYS  17   3.829  -4.372   8.307
  122    HE2  LYS  17           1HE      LYS  17   5.598  -6.068   8.790
  123    HE3  LYS  17           2HE      LYS  17   6.685  -5.247   7.662
  124    HZ1  LYS  17           3HZ      LYS  17   5.577  -4.035  10.142
  125    HZ2  LYS  17           1HZ      LYS  17   6.592  -3.284   9.100
  126    HZ3  LYS  17           2HZ      LYS  17   7.106  -4.572   9.959
  127    H    LYS  18           H        LYS  18   0.234  -6.217   5.277
  128    HA   LYS  18           HA       LYS  18  -0.988  -5.168   2.786
  129    HB2  LYS  18           1HB      LYS  18  -1.511  -7.448   3.831
  130    HB3  LYS  18           2HB      LYS  18  -2.360  -6.567   5.101
  131    HG2  LYS  18           1HG      LYS  18  -3.835  -5.529   3.348
  132    HG3  LYS  18           2HG      LYS  18  -2.951  -6.429   2.099
  133    HD2  LYS  18           1HD      LYS  18  -3.672  -8.568   3.193
  134    HD3  LYS  18           2HD      LYS  18  -4.586  -7.623   4.388
  135    HE2  LYS  18           1HE      LYS  18  -5.928  -6.613   2.551
  136    HE3  LYS  18           2HE      LYS  18  -5.017  -7.558   1.366
  137    HZ1  LYS  18           3HZ      LYS  18  -5.878  -9.585   2.423
  138    HZ2  LYS  18           1HZ      LYS  18  -7.116  -8.643   1.931
  139    HZ3  LYS  18           2HZ      LYS  18  -6.724  -8.708   3.513
  140    H    TYR  19           H        TYR  19  -2.392  -3.521   2.657
  141    HA   TYR  19           HA       TYR  19  -3.260  -2.073   5.123
  142    HB2  TYR  19           1HB      TYR  19  -2.058  -0.937   2.596
  143    HB3  TYR  19           2HB      TYR  19  -3.223  -0.005   3.517
  144    HD1  TYR  19           2HD      TYR  19   0.122  -1.679   3.770
  145    HD2  TYR  19           1HD      TYR  19  -2.678   1.069   5.570
  146    HE1  TYR  19           2HE      TYR  19   1.846  -1.005   5.433
  147    HE2  TYR  19           1HE      TYR  19  -0.946   1.753   7.217
  148    HH   TYR  19           HH       TYR  19   1.171   1.418   7.997
  149    H    SER  20           H        SER  20  -5.294  -0.959   4.931
  150    HA   SER  20           HA       SER  20  -7.264  -2.495   3.408
  151    HB2  SER  20           1HB      SER  20  -8.879  -1.113   4.705
  152    HB3  SER  20           2HB      SER  20  -7.710  -1.985   5.710
  153    HG   SER  20           HG       SER  20  -7.965   0.214   6.362
  154    H    ASP  21           H        ASP  21  -5.505   0.333   2.727
  155    HA   ASP  21           HA       ASP  21  -7.278   1.127   0.495
  156    HB2  ASP  21           1HB      ASP  21  -8.199   2.501   2.183
  157    HB3  ASP  21           2HB      ASP  21  -6.637   2.777   2.950
  158    H    VAL  22           H        VAL  22  -6.223   2.084  -1.193
  159    HA   VAL  22           HA       VAL  22  -3.441   1.532  -1.501
  160    HB   VAL  22           HB       VAL  22  -5.158   1.559  -3.287
  161   HG11  VAL  22          1HG1      VAL  22  -4.821   4.575  -3.396
  162   HG12  VAL  22          2HG1      VAL  22  -5.777   3.551  -4.477
  163   HG13  VAL  22          3HG1      VAL  22  -6.267   3.736  -2.789
  164   HG21  VAL  22          3HG2      VAL  22  -3.694   2.293  -5.068
  165   HG22  VAL  22          1HG2      VAL  22  -2.729   3.255  -3.933
  166   HG23  VAL  22          2HG2      VAL  22  -2.749   1.483  -3.807
  167    H    LYS  23           H        LYS  23  -5.102   4.509  -0.546
  168    HA   LYS  23           HA       LYS  23  -2.872   6.220  -1.204
  169    HB2  LYS  23           1HB      LYS  23  -5.075   6.973   0.742
  170    HB3  LYS  23           2HB      LYS  23  -4.166   8.021  -0.338
  171    HG2  LYS  23           1HG      LYS  23  -5.354   7.058  -2.295
  172    HG3  LYS  23           2HG      LYS  23  -6.203   5.931  -1.236
  173    HD2  LYS  23           1HD      LYS  23  -7.026   8.093   0.028
  174    HD3  LYS  23           2HD      LYS  23  -6.563   8.906  -1.474
  175    HE2  LYS  23           1HE      LYS  23  -8.846   8.376  -1.781
  176    HE3  LYS  23           2HE      LYS  23  -7.984   7.136  -2.695
  177    HZ1  LYS  23           3HZ      LYS  23  -9.167   6.821   0.015
  178    HZ2  LYS  23           1HZ      LYS  23  -8.275   5.652  -0.686
  179    HZ3  LYS  23           2HZ      LYS  23  -9.701   6.111  -1.351
  180    H    ASN  24           H        ASN  24  -4.154   4.753   1.729
  181    HA   ASN  24           HA       ASN  24  -2.100   5.593   3.574
  182    HB2  ASN  24           1HB      ASN  24  -4.120   3.316   3.524
  183    HB3  ASN  24           2HB      ASN  24  -2.930   3.482   4.813
  184   HD21  ASN  24          1HD2      ASN  24  -5.643   5.242   3.220
  185   HD22  ASN  24          2HD2      ASN  24  -5.988   6.204   4.660
  186    H    LEU  25           H        LEU  25  -2.294   2.743   1.360
  187    HA   LEU  25           HA       LEU  25   0.189   1.605   2.192
  188    HB2  LEU  25           1HB      LEU  25  -1.539   0.446   0.815
  189    HB3  LEU  25           2HB      LEU  25  -1.162   1.512  -0.534
  190    HG   LEU  25           HG       LEU  25   1.193   0.620  -0.554
  191   HD11  LEU  25          1HD1      LEU  25   1.641  -1.487   0.628
  192   HD12  LEU  25          2HD1      LEU  25   0.063  -1.411   1.426
  193   HD13  LEU  25          3HD1      LEU  25   1.329  -0.208   1.789
  194   HD21  LEU  25          3HD2      LEU  25  -0.530  -0.256  -2.065
  195   HD22  LEU  25          1HD2      LEU  25  -1.027  -1.425  -0.823
  196   HD23  LEU  25          2HD2      LEU  25   0.590  -1.534  -1.564
  197    H    ILE  26           H        ILE  26  -0.507   4.025  -0.385
  198    HA   ILE  26           HA       ILE  26   2.226   4.395  -1.187
  199    HB   ILE  26           HB       ILE  26  -0.232   6.159  -1.374
  200   HG12  ILE  26          1HG1      ILE  26   1.371   4.728  -3.547
  201   HG13  ILE  26          2HG1      ILE  26   0.027   3.964  -2.717
  202   HG21  ILE  26          1HG2      ILE  26   2.545   6.703  -2.529
  203   HG22  ILE  26          2HG2      ILE  26   1.068   7.593  -2.959
  204   HG23  ILE  26          3HG2      ILE  26   1.692   7.693  -1.322
  205   HD11  ILE  26          3HD1      ILE  26  -1.498   5.780  -3.492
  206   HD12  ILE  26          1HD1      ILE  26  -0.156   6.453  -4.452
  207   HD13  ILE  26          2HD1      ILE  26  -0.771   4.833  -4.804
  208    H    LYS  27           H        LYS  27   0.290   6.093   1.345
  209    HA   LYS  27           HA       LYS  27   2.418   7.772   2.238
  210    HB2  LYS  27           1HB      LYS  27  -0.010   8.028   2.787
  211    HB3  LYS  27           2HB      LYS  27   0.098   6.625   3.859
  212    HG2  LYS  27           1HG      LYS  27   1.746   7.818   5.274
  213    HG3  LYS  27           2HG      LYS  27   1.703   9.201   4.160
  214    HD2  LYS  27           1HD      LYS  27  -0.709   9.539   4.676
  215    HD3  LYS  27           2HD      LYS  27  -0.686   8.112   5.717
  216    HE2  LYS  27           1HE      LYS  27  -0.566  10.012   7.148
  217    HE3  LYS  27           2HE      LYS  27   1.008   9.217   7.185
  218    HZ1  LYS  27           3HZ      LYS  27   0.354  11.638   5.581
  219    HZ2  LYS  27           1HZ      LYS  27   1.826  10.926   5.644
  220    HZ3  LYS  27           2HZ      LYS  27   1.204  11.637   6.971
  221    H    HIS  28           H        HIS  28   1.613   4.422   3.268
  222    HA   HIS  28           HA       HIS  28   3.712   4.105   5.175
  223    HB2  HIS  28           1HB      HIS  28   2.035   2.446   5.058
  224    HB3  HIS  28           2HB      HIS  28   2.237   2.196   3.340
  225    HD1  HIS  28           1HD      HIS  28   3.680   1.030   6.628
  226    HD2  HIS  28           2HD      HIS  28   4.256   0.632   2.493
  227    HE1  HIS  28           1HE      HIS  28   5.319  -0.889   6.345
  228    H    ILE  29           H        ILE  29   3.795   3.678   1.592
  229    HA   ILE  29           HA       ILE  29   6.584   2.981   1.495
  230    HB   ILE  29           HB       ILE  29   4.693   4.096  -0.595
  231   HG12  ILE  29          1HG1      ILE  29   5.904   1.306  -0.352
  232   HG13  ILE  29          2HG1      ILE  29   4.379   1.730   0.407
  233   HG21  ILE  29          1HG2      ILE  29   6.400   3.438  -2.286
  234   HG22  ILE  29          2HG2      ILE  29   6.962   4.751  -1.267
  235   HG23  ILE  29          3HG2      ILE  29   7.549   3.100  -0.976
  236   HD11  ILE  29          3HD1      ILE  29   4.921   1.744  -2.580
  237   HD12  ILE  29          1HD1      ILE  29   3.890   0.636  -1.657
  238   HD13  ILE  29          2HD1      ILE  29   3.426   2.339  -1.814
  239    H    ARG  30           H        ARG  30   4.978   6.202   1.323
  240    HA   ARG  30           HA       ARG  30   7.477   7.663   1.073
  241    HB2  ARG  30           1HB      ARG  30   4.844   8.668   2.233
  242    HB3  ARG  30           2HB      ARG  30   6.196   9.644   1.688
  243    HG2  ARG  30           1HG      ARG  30   4.180   8.156   0.028
  244    HG3  ARG  30           2HG      ARG  30   4.615   9.847  -0.007
  245    HD2  ARG  30           1HD      ARG  30   6.291   7.517  -1.014
  246    HD3  ARG  30           2HD      ARG  30   5.403   8.660  -2.006
  247    HE   ARG  30           HE       ARG  30   8.002   9.095  -0.660
  248   HH11  ARG  30          2HH1      ARG  30   5.386  10.823  -2.266
  249   HH12  ARG  30          1HH1      ARG  30   6.410  12.207  -2.539
  250   HH21  ARG  30          2HH2      ARG  30   9.145  10.743  -1.002
  251   HH22  ARG  30          1HH2      ARG  30   8.548  12.185  -1.832
  252    H    ASP  31           H        ASP  31   5.896   6.339   3.895
  253    HA   ASP  31           HA       ASP  31   7.557   7.920   5.738
  254    HB2  ASP  31           1HB      ASP  31   5.152   7.410   6.129
  255    HB3  ASP  31           2HB      ASP  31   5.564   5.700   6.291
  256    H    MET  32           H        MET  32   7.462   4.544   4.605
  257    HA   MET  32           HA       MET  32   9.730   3.826   6.410
  258    HB2  MET  32           1HB      MET  32   7.683   2.120   4.942
  259    HB3  MET  32           2HB      MET  32   8.963   1.499   5.968
  260    HG2  MET  32           1HG      MET  32   6.705   3.319   6.871
  261    HG3  MET  32           2HG      MET  32   6.789   1.584   7.121
  262    HE1  MET  32           3HE      MET  32   9.852   1.054   8.050
  263    HE2  MET  32           1HE      MET  32   9.598   1.152   9.802
  264    HE3  MET  32           2HE      MET  32   8.388   0.349   8.780
  265    H    HIS  33           H        HIS  33   9.042   4.129   2.965
  266    HA   HIS  33           HA       HIS  33  11.606   2.737   2.310
  267    HB2  HIS  33           1HB      HIS  33   9.021   2.411   0.776
  268    HB3  HIS  33           2HB      HIS  33  10.518   1.505   0.578
  269    HD1  HIS  33           1HD      HIS  33  11.069   0.290   3.349
  270    HD2  HIS  33           2HD      HIS  33   7.236   0.865   1.743
  271    HE1  HIS  33           1HE      HIS  33   9.563  -1.367   4.550
  272    H    ASP  34           H        ASP  34  10.909   5.661   2.400
  273    HA   ASP  34           HA       ASP  34  10.346   6.677  -0.138
  274    HB2  ASP  34           1HB      ASP  34  10.201   7.818   2.084
  275    HB3  ASP  34           2HB      ASP  34  11.943   8.055   2.045
  276    HA   PRO  35           HA       PRO  35  14.254   5.877  -2.167
  277    HB2  PRO  35           1HB      PRO  35  13.856   7.065  -4.601
  278    HB3  PRO  35           2HB      PRO  35  13.019   5.568  -4.084
  279    HG2  PRO  35           1HG      PRO  35  11.990   8.422  -3.927
  280    HG3  PRO  35           2HG      PRO  35  11.158   6.983  -4.603
  281    HD2  PRO  35           1HD      PRO  35  10.683   7.838  -2.075
  282    HD3  PRO  35           2HD      PRO  35  10.754   6.091  -2.450
  283    H    GLN  36           H        GLN  36  16.192   6.874  -2.917
  284    HA   GLN  36           HA       GLN  36  16.562   9.776  -2.573
  285    HB2  GLN  36           1HB      GLN  36  18.181   7.653  -1.094
  286    HB3  GLN  36           2HB      GLN  36  18.610   9.363  -1.225
  287    HG2  GLN  36           1HG      GLN  36  16.487   9.972  -0.056
  288    HG3  GLN  36           2HG      GLN  36  16.122   8.256   0.145
  289   HE21  GLN  36          1HE2      GLN  36  16.095   9.422   2.472
  290   HE22  GLN  36          2HE2      GLN  36  17.600   9.199   3.354
  291    H    ASP  37           H        ASP  37  18.059  10.569  -3.881
  292    HA   ASP  37           HA       ASP  37  19.921   8.888  -5.470
  293    HB2  ASP  37           1HB      ASP  37  17.857   9.019  -6.802
  294    HB3  ASP  37           2HB      ASP  37  17.864  10.774  -6.683
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  -4.168 -24.582   0.397
    2    H2   GLY   1           2H       GLY   1  -5.618 -25.196   0.841
    3    H3   GLY   1           3H       GLY   1  -4.335 -25.311   1.855
    4    HA2  GLY   1           1HA      GLY   1  -5.824 -23.595   2.630
    5    HA3  GLY   1           2HA      GLY   1  -4.258 -22.924   2.139
    6    H    SER   2           H        SER   2  -5.681 -20.947   2.066
    7    HA   SER   2           HA       SER   2  -6.506 -20.413  -0.719
    8    HB2  SER   2           1HB      SER   2  -8.593 -21.168   0.340
    9    HB3  SER   2           2HB      SER   2  -8.379 -19.985   1.645
   10    HG   SER   2           HG       SER   2  -9.798 -19.330  -0.124
   11    H    SER   3           H        SER   3  -6.414 -18.252  -1.289
   12    HA   SER   3           HA       SER   3  -4.883 -16.403   0.404
   13    HB2  SER   3           1HB      SER   3  -6.160 -15.990  -2.324
   14    HB3  SER   3           2HB      SER   3  -4.997 -14.910  -1.529
   15    HG   SER   3           HG       SER   3  -3.991 -16.324  -3.046
   16    H    GLY   4           H        GLY   4  -8.195 -17.149   0.149
   17    HA2  GLY   4           1HA      GLY   4 -10.021 -16.196   1.219
   18    HA3  GLY   4           2HA      GLY   4  -9.051 -14.810   1.704
   19    H    SER   5           H        SER   5 -11.561 -14.348   0.958
   20    HA   SER   5           HA       SER   5 -11.670 -13.540  -1.898
   21    HB2  SER   5           1HB      SER   5 -14.108 -13.507  -1.522
   22    HB3  SER   5           2HB      SER   5 -13.373 -15.075  -1.151
   23    HG   SER   5           HG       SER   5 -14.855 -14.393   0.480
   24    H    SER   6           H        SER   6 -10.899 -11.974   0.935
   25    HA   SER   6           HA       SER   6 -12.566  -9.637   0.781
   26    HB2  SER   6           1HB      SER   6 -11.470 -10.444   2.843
   27    HB3  SER   6           2HB      SER   6  -9.895  -9.960   2.184
   28    HG   SER   6           HG       SER   6 -10.996  -8.380   3.573
   29    H    GLY   7           H        GLY   7 -12.081  -7.518   0.207
   30    HA2  GLY   7           1HA      GLY   7 -10.628  -7.226  -2.291
   31    HA3  GLY   7           2HA      GLY   7 -11.595  -6.005  -1.466
   32    H    ILE   8           H        ILE   8  -9.320  -7.125   0.730
   33    HA   ILE   8           HA       ILE   8  -7.865  -4.628   0.667
   34    HB   ILE   8           HB       ILE   8  -6.857  -5.381   2.750
   35   HG12  ILE   8          1HG1      ILE   8  -8.433  -7.981   2.414
   36   HG13  ILE   8          2HG1      ILE   8  -6.695  -7.849   2.202
   37   HG21  ILE   8          1HG2      ILE   8  -8.862  -5.259   4.055
   38   HG22  ILE   8          2HG2      ILE   8  -9.176  -4.343   2.581
   39   HG23  ILE   8          3HG2      ILE   8  -9.848  -5.969   2.760
   40   HD11  ILE   8          3HD1      ILE   8  -6.470  -7.075   4.568
   41   HD12  ILE   8          1HD1      ILE   8  -8.214  -7.366   4.791
   42   HD13  ILE   8          2HD1      ILE   8  -7.134  -8.713   4.402
   43    H    LYS   9           H        LYS   9  -7.257  -5.804  -1.685
   44    HA   LYS   9           HA       LYS   9  -4.814  -7.377  -1.588
   45    HB2  LYS   9           1HB      LYS   9  -4.962  -7.404  -4.027
   46    HB3  LYS   9           2HB      LYS   9  -6.448  -7.862  -3.235
   47    HG2  LYS   9           1HG      LYS   9  -7.041  -6.573  -5.124
   48    HG3  LYS   9           2HG      LYS   9  -7.432  -5.631  -3.707
   49    HD2  LYS   9           1HD      LYS   9  -6.530  -4.219  -5.480
   50    HD3  LYS   9           2HD      LYS   9  -5.497  -4.176  -4.070
   51    HE2  LYS   9           1HE      LYS   9  -4.086  -4.267  -6.004
   52    HE3  LYS   9           2HE      LYS   9  -3.943  -5.818  -5.180
   53    HZ1  LYS   9           3HZ      LYS   9  -5.640  -5.301  -7.573
   54    HZ2  LYS   9           1HZ      LYS   9  -5.490  -6.752  -6.832
   55    HZ3  LYS   9           2HZ      LYS   9  -4.211  -6.084  -7.586
   56    H    GLN  10           H        GLN  10  -5.024  -4.185  -0.995
   57    HA   GLN  10           HA       GLN  10  -2.748  -3.208  -2.547
   58    HB2  GLN  10           1HB      GLN  10  -4.140  -1.975  -0.121
   59    HB3  GLN  10           2HB      GLN  10  -2.988  -1.198  -1.190
   60    HG2  GLN  10           1HG      GLN  10  -5.016  -0.399  -1.979
   61    HG3  GLN  10           2HG      GLN  10  -4.628  -1.672  -3.119
   62   HE21  GLN  10          1HE2      GLN  10  -7.124  -1.222  -3.446
   63   HE22  GLN  10          2HE2      GLN  10  -8.166  -2.253  -2.470
   64    H    HIS  11           H        HIS  11  -0.708  -3.873  -2.120
   65    HA   HIS  11           HA       HIS  11   0.110  -4.467   0.692
   66    HB2  HIS  11           1HB      HIS  11   0.607  -6.176  -1.772
   67    HB3  HIS  11           2HB      HIS  11   1.381  -6.413  -0.214
   68    HD1  HIS  11           1HD      HIS  11  -2.166  -5.761   0.581
   69    HD2  HIS  11           2HD      HIS  11   0.178  -8.938  -0.869
   70    HE1  HIS  11           1HE      HIS  11  -3.519  -7.887   0.975
   71    H    CYS  12           H        CYS  12   2.264  -4.191   1.202
   72    HA   CYS  12           HA       CYS  12   3.753  -2.186  -0.235
   73    HB2  CYS  12           1HB      CYS  12   3.767  -2.427   2.195
   74    HB3  CYS  12           2HB      CYS  12   4.539  -4.020   2.042
   75    H    ARG  13           H        ARG  13   5.338  -2.324  -1.658
   76    HA   ARG  13           HA       ARG  13   6.045  -4.888  -2.934
   77    HB2  ARG  13           1HB      ARG  13   7.001  -2.033  -3.431
   78    HB3  ARG  13           2HB      ARG  13   7.447  -3.439  -4.405
   79    HG2  ARG  13           1HG      ARG  13   5.053  -3.819  -4.967
   80    HG3  ARG  13           2HG      ARG  13   4.612  -2.365  -4.046
   81    HD2  ARG  13           1HD      ARG  13   6.032  -0.986  -5.526
   82    HD3  ARG  13           2HD      ARG  13   6.483  -2.438  -6.447
   83    HE   ARG  13           HE       ARG  13   3.635  -2.232  -6.377
   84   HH11  ARG  13          2HH1      ARG  13   6.326  -0.596  -7.912
   85   HH12  ARG  13          1HH1      ARG  13   5.360  -0.087  -9.271
   86   HH21  ARG  13          2HH2      ARG  13   2.462  -1.553  -8.138
   87   HH22  ARG  13          1HH2      ARG  13   3.229  -0.617  -9.387
   88    H    PHE  14           H        PHE  14   7.361  -2.943  -0.406
   89    HA   PHE  14           HA       PHE  14  10.116  -3.996  -0.802
   90    HB2  PHE  14           1HB      PHE  14   9.122  -1.796   1.015
   91    HB3  PHE  14           2HB      PHE  14  10.791  -2.156   0.615
   92    HD1  PHE  14           2HD      PHE  14  11.713  -1.568  -1.619
   93    HD2  PHE  14           1HD      PHE  14   7.651  -0.594  -0.541
   94    HE1  PHE  14           2HE      PHE  14  11.576   0.010  -3.535
   95    HE2  PHE  14           1HE      PHE  14   7.516   0.970  -2.465
   96    HZ   PHE  14           HZ       PHE  14   9.478   1.279  -3.959
   97    H    CYS  15           H        CYS  15   7.525  -3.992   1.649
   98    HA   CYS  15           HA       CYS  15   9.024  -6.072   3.152
   99    HB2  CYS  15           1HB      CYS  15   8.633  -5.073   5.243
  100    HB3  CYS  15           2HB      CYS  15   9.415  -3.895   4.203
  101    H    LYS  16           H        LYS  16   6.391  -5.721   1.407
  102    HA   LYS  16           HA       LYS  16   4.501  -6.921   1.073
  103    HB2  LYS  16           1HB      LYS  16   6.286  -8.927   2.454
  104    HB3  LYS  16           2HB      LYS  16   4.709  -9.373   1.830
  105    HG2  LYS  16           1HG      LYS  16   6.326  -9.957   0.215
  106    HG3  LYS  16           2HG      LYS  16   5.309  -8.673  -0.431
  107    HD2  LYS  16           1HD      LYS  16   7.099  -7.040  -0.180
  108    HD3  LYS  16           2HD      LYS  16   8.099  -8.212   0.717
  109    HE2  LYS  16           1HE      LYS  16   8.156  -9.676  -1.285
  110    HE3  LYS  16           2HE      LYS  16   7.150  -8.523  -2.170
  111    HZ1  LYS  16           3HZ      LYS  16   9.860  -7.916  -1.108
  112    HZ2  LYS  16           1HZ      LYS  16   8.932  -6.890  -1.995
  113    HZ3  LYS  16           2HZ      LYS  16   9.522  -8.253  -2.667
  114    H    LYS  17           H        LYS  17   4.499  -5.363   3.681
  115    HA   LYS  17           HA       LYS  17   2.399  -6.604   5.264
  116    HB2  LYS  17           1HB      LYS  17   3.288  -3.701   5.023
  117    HB3  LYS  17           2HB      LYS  17   2.112  -4.319   6.199
  118    HG2  LYS  17           1HG      LYS  17   3.796  -5.770   7.221
  119    HG3  LYS  17           2HG      LYS  17   4.975  -5.336   5.973
  120    HD2  LYS  17           1HD      LYS  17   4.861  -2.945   6.742
  121    HD3  LYS  17           2HD      LYS  17   3.782  -3.449   8.047
  122    HE2  LYS  17           1HE      LYS  17   6.084  -3.209   8.847
  123    HE3  LYS  17           2HE      LYS  17   5.537  -4.881   9.002
  124    HZ1  LYS  17           3HZ      LYS  17   6.830  -5.477   7.094
  125    HZ2  LYS  17           1HZ      LYS  17   7.829  -4.590   8.038
  126    HZ3  LYS  17           2HZ      LYS  17   7.148  -3.939   6.683
  127    H    LYS  18           H        LYS  18   0.264  -5.676   5.519
  128    HA   LYS  18           HA       LYS  18  -1.059  -5.387   2.848
  129    HB2  LYS  18           1HB      LYS  18  -1.986  -6.701   5.426
  130    HB3  LYS  18           2HB      LYS  18  -2.915  -6.630   3.916
  131    HG2  LYS  18           1HG      LYS  18  -1.082  -7.946   2.792
  132    HG3  LYS  18           2HG      LYS  18  -0.262  -8.085   4.347
  133    HD2  LYS  18           1HD      LYS  18  -2.195  -9.239   5.319
  134    HD3  LYS  18           2HD      LYS  18  -3.083  -9.124   3.796
  135    HE2  LYS  18           1HE      LYS  18  -0.352 -10.462   3.993
  136    HE3  LYS  18           2HE      LYS  18  -1.833 -11.337   4.385
  137    HZ1  LYS  18           3HZ      LYS  18  -2.637 -10.980   2.157
  138    HZ2  LYS  18           1HZ      LYS  18  -1.149 -11.635   2.051
  139    HZ3  LYS  18           2HZ      LYS  18  -1.371 -10.045   1.743
  140    H    TYR  19           H        TYR  19  -2.660  -3.950   2.507
  141    HA   TYR  19           HA       TYR  19  -3.703  -2.256   4.719
  142    HB2  TYR  19           1HB      TYR  19  -2.511  -1.305   2.083
  143    HB3  TYR  19           2HB      TYR  19  -3.504  -0.298   3.128
  144    HD1  TYR  19           1HD      TYR  19  -2.771   0.278   5.441
  145    HD2  TYR  19           2HD      TYR  19  -0.174  -1.754   2.657
  146    HE1  TYR  19           1HE      TYR  19  -0.818   0.736   6.922
  147    HE2  TYR  19           2HE      TYR  19   1.777  -1.289   4.138
  148    HH   TYR  19           HH       TYR  19   2.472  -0.410   6.137
  149    H    SER  20           H        SER  20  -5.742  -1.311   4.333
  150    HA   SER  20           HA       SER  20  -7.482  -2.895   2.585
  151    HB2  SER  20           1HB      SER  20  -8.174  -0.647   4.506
  152    HB3  SER  20           2HB      SER  20  -9.306  -1.791   3.759
  153    HG   SER  20           HG       SER  20  -8.710  -2.400   5.906
  154    H    ASP  21           H        ASP  21  -5.767  -0.050   2.099
  155    HA   ASP  21           HA       ASP  21  -7.323   0.742  -0.251
  156    HB2  ASP  21           1HB      ASP  21  -7.691   3.019   0.460
  157    HB3  ASP  21           2HB      ASP  21  -8.445   1.943   1.627
  158    H    VAL  22           H        VAL  22  -6.227   2.449  -1.501
  159    HA   VAL  22           HA       VAL  22  -3.407   1.847  -1.707
  160    HB   VAL  22           HB       VAL  22  -5.036   2.245  -3.582
  161   HG11  VAL  22          1HG1      VAL  22  -5.409   4.460  -4.448
  162   HG12  VAL  22          2HG1      VAL  22  -6.034   4.387  -2.795
  163   HG13  VAL  22          3HG1      VAL  22  -4.486   5.199  -3.130
  164   HG21  VAL  22          3HG2      VAL  22  -2.438   3.798  -3.724
  165   HG22  VAL  22          1HG2      VAL  22  -2.619   2.045  -3.946
  166   HG23  VAL  22          2HG2      VAL  22  -3.372   3.166  -5.093
  167    H    LYS  23           H        LYS  23  -5.140   4.477  -0.151
  168    HA   LYS  23           HA       LYS  23  -2.992   6.397  -0.483
  169    HB2  LYS  23           1HB      LYS  23  -5.476   6.461   1.289
  170    HB3  LYS  23           2HB      LYS  23  -4.363   7.814   1.055
  171    HG2  LYS  23           1HG      LYS  23  -4.843   7.823  -1.374
  172    HG3  LYS  23           2HG      LYS  23  -5.971   6.469  -1.165
  173    HD2  LYS  23           1HD      LYS  23  -7.374   7.837   0.332
  174    HD3  LYS  23           2HD      LYS  23  -6.253   9.206   0.143
  175    HE2  LYS  23           1HE      LYS  23  -6.682   9.211  -2.307
  176    HE3  LYS  23           2HE      LYS  23  -7.799   7.853  -2.116
  177    HZ1  LYS  23           3HZ      LYS  23  -9.197   9.284  -0.719
  178    HZ2  LYS  23           1HZ      LYS  23  -8.987   9.969  -2.184
  179    HZ3  LYS  23           2HZ      LYS  23  -8.166  10.538  -0.896
  180    H    ASN  24           H        ASN  24  -4.111   4.376   2.239
  181    HA   ASN  24           HA       ASN  24  -1.979   5.150   4.046
  182    HB2  ASN  24           1HB      ASN  24  -3.879   2.779   3.912
  183    HB3  ASN  24           2HB      ASN  24  -2.616   2.902   5.137
  184   HD21  ASN  24          1HD2      ASN  24  -5.839   3.743   4.496
  185   HD22  ASN  24          2HD2      ASN  24  -5.978   4.960   5.768
  186    H    LEU  25           H        LEU  25  -2.157   2.647   1.492
  187    HA   LEU  25           HA       LEU  25   0.407   1.477   2.037
  188    HB2  LEU  25           1HB      LEU  25  -1.188   0.331   0.654
  189    HB3  LEU  25           2HB      LEU  25  -1.301   1.685  -0.465
  190    HG   LEU  25           HG       LEU  25   1.023   1.320  -1.212
  191   HD11  LEU  25          1HD1      LEU  25   2.000   0.295   0.820
  192   HD12  LEU  25          2HD1      LEU  25   2.200  -0.741  -0.592
  193   HD13  LEU  25          3HD1      LEU  25   0.951  -1.126   0.609
  194   HD21  LEU  25          3HD2      LEU  25  -0.864   0.212  -2.363
  195   HD22  LEU  25          1HD2      LEU  25  -0.659  -1.203  -1.301
  196   HD23  LEU  25          2HD2      LEU  25   0.626  -0.747  -2.436
  197    H    ILE  26           H        ILE  26  -0.509   4.175  -0.205
  198    HA   ILE  26           HA       ILE  26   2.183   4.747  -1.005
  199    HB   ILE  26           HB       ILE  26  -0.356   6.407  -1.003
  200   HG12  ILE  26          1HG1      ILE  26   1.297   5.207  -3.284
  201   HG13  ILE  26          2HG1      ILE  26  -0.057   4.373  -2.542
  202   HG21  ILE  26          1HG2      ILE  26   0.865   8.036  -2.467
  203   HG22  ILE  26          2HG2      ILE  26   1.498   8.016  -0.836
  204   HG23  ILE  26          3HG2      ILE  26   2.380   7.169  -2.131
  205   HD11  ILE  26          3HD1      ILE  26  -0.215   6.987  -4.090
  206   HD12  ILE  26          1HD1      ILE  26  -0.818   5.401  -4.575
  207   HD13  ILE  26          2HD1      ILE  26  -1.575   6.245  -3.209
  208    H    LYS  27           H        LYS  27   0.253   6.103   1.726
  209    HA   LYS  27           HA       LYS  27   2.277   7.846   2.713
  210    HB2  LYS  27           1HB      LYS  27  -0.080   7.909   3.420
  211    HB3  LYS  27           2HB      LYS  27   0.077   6.325   4.174
  212    HG2  LYS  27           1HG      LYS  27   0.103   8.077   5.845
  213    HG3  LYS  27           2HG      LYS  27   1.644   7.222   5.837
  214    HD2  LYS  27           1HD      LYS  27   2.695   9.090   4.588
  215    HD3  LYS  27           2HD      LYS  27   1.126   9.924   4.507
  216    HE2  LYS  27           1HE      LYS  27   1.059  10.002   6.994
  217    HE3  LYS  27           2HE      LYS  27   2.621   9.176   7.063
  218    HZ1  LYS  27           3HZ      LYS  27   2.160  11.845   5.836
  219    HZ2  LYS  27           1HZ      LYS  27   3.605  11.083   5.900
  220    HZ3  LYS  27           2HZ      LYS  27   2.880  11.581   7.274
  221    H    HIS  28           H        HIS  28   1.724   4.373   3.468
  222    HA   HIS  28           HA       HIS  28   3.895   4.047   5.279
  223    HB2  HIS  28           1HB      HIS  28   2.224   2.357   5.102
  224    HB3  HIS  28           2HB      HIS  28   2.470   2.159   3.375
  225    HD1  HIS  28           1HD      HIS  28   4.247   1.301   6.677
  226    HD2  HIS  28           2HD      HIS  28   4.360   0.515   2.547
  227    HE1  HIS  28           1HE      HIS  28   5.880  -0.619   6.388
  228    H    ILE  29           H        ILE  29   3.865   3.646   1.682
  229    HA   ILE  29           HA       ILE  29   6.645   2.983   1.475
  230    HB   ILE  29           HB       ILE  29   4.740   4.230  -0.527
  231   HG12  ILE  29          1HG1      ILE  29   5.781   1.363  -0.449
  232   HG13  ILE  29          2HG1      ILE  29   4.315   1.830   0.391
  233   HG21  ILE  29          1HG2      ILE  29   7.511   3.036  -0.994
  234   HG22  ILE  29          2HG2      ILE  29   6.384   3.521  -2.274
  235   HG23  ILE  29          3HG2      ILE  29   7.067   4.741  -1.216
  236   HD11  ILE  29          3HD1      ILE  29   3.321   2.638  -1.750
  237   HD12  ILE  29          1HD1      ILE  29   4.753   2.028  -2.612
  238   HD13  ILE  29          2HD1      ILE  29   3.703   0.904  -1.743
  239    H    ARG  30           H        ARG  30   5.020   6.181   1.268
  240    HA   ARG  30           HA       ARG  30   7.418   7.712   0.856
  241    HB2  ARG  30           1HB      ARG  30   4.674   8.417   1.962
  242    HB3  ARG  30           2HB      ARG  30   5.953   9.616   1.731
  243    HG2  ARG  30           1HG      ARG  30   6.074   9.142  -0.658
  244    HG3  ARG  30           2HG      ARG  30   4.870   7.852  -0.511
  245    HD2  ARG  30           1HD      ARG  30   3.194   9.491   0.270
  246    HD3  ARG  30           2HD      ARG  30   4.397  10.792   0.131
  247    HE   ARG  30           HE       ARG  30   4.290   9.517  -2.380
  248   HH11  ARG  30          2HH1      ARG  30   2.093  11.435  -0.438
  249   HH12  ARG  30          1HH1      ARG  30   1.217  12.008  -1.831
  250   HH21  ARG  30          2HH2      ARG  30   3.135  10.291  -4.113
  251   HH22  ARG  30          1HH2      ARG  30   1.800  11.375  -3.854
  252    H    ASP  31           H        ASP  31   5.963   6.547   3.864
  253    HA   ASP  31           HA       ASP  31   7.785   8.137   5.515
  254    HB2  ASP  31           1HB      ASP  31   5.413   7.626   6.098
  255    HB3  ASP  31           2HB      ASP  31   5.856   5.927   6.297
  256    H    MET  32           H        MET  32   7.658   4.736   4.450
  257    HA   MET  32           HA       MET  32   9.987   4.065   6.192
  258    HB2  MET  32           1HB      MET  32   7.912   2.312   4.826
  259    HB3  MET  32           2HB      MET  32   9.227   1.726   5.829
  260    HG2  MET  32           1HG      MET  32   6.992   3.564   6.760
  261    HG3  MET  32           2HG      MET  32   7.082   1.834   7.042
  262    HE1  MET  32           3HE      MET  32   8.703   0.627   8.690
  263    HE2  MET  32           1HE      MET  32  10.150   1.293   7.895
  264    HE3  MET  32           2HE      MET  32   9.956   1.441   9.652
  265    H    HIS  33           H        HIS  33   9.199   4.220   2.745
  266    HA   HIS  33           HA       HIS  33  11.750   2.782   2.109
  267    HB2  HIS  33           1HB      HIS  33   9.116   2.529   0.639
  268    HB3  HIS  33           2HB      HIS  33  10.587   1.607   0.349
  269    HD1  HIS  33           1HD      HIS  33  11.288   0.437   3.127
  270    HD2  HIS  33           2HD      HIS  33   7.384   0.936   1.660
  271    HE1  HIS  33           1HE      HIS  33   9.854  -1.214   4.418
  272    H    ASP  34           H        ASP  34  10.491   5.792   1.839
  273    HA   ASP  34           HA       ASP  34  10.726   6.492  -0.870
  274    HB2  ASP  34           1HB      ASP  34   9.664   7.883   0.791
  275    HB3  ASP  34           2HB      ASP  34  11.192   8.129   1.641
  276    HA   PRO  35           HA       PRO  35  15.186   5.928  -1.231
  277    HB2  PRO  35           1HB      PRO  35  15.559   6.627  -3.861
  278    HB3  PRO  35           2HB      PRO  35  14.822   5.086  -3.330
  279    HG2  PRO  35           1HG      PRO  35  13.397   7.626  -4.188
  280    HG3  PRO  35           2HG      PRO  35  13.088   5.944  -4.730
  281    HD2  PRO  35           1HD      PRO  35  11.590   7.082  -2.779
  282    HD3  PRO  35           2HD      PRO  35  12.077   5.367  -2.672
  283    H    GLN  36           H        GLN  36  16.751   7.213  -0.506
  284    HA   GLN  36           HA       GLN  36  17.056  10.019  -1.323
  285    HB2  GLN  36           1HB      GLN  36  16.772   9.148   1.591
  286    HB3  GLN  36           2HB      GLN  36  17.303  10.739   1.034
  287    HG2  GLN  36           1HG      GLN  36  15.084  11.067  -0.080
  288    HG3  GLN  36           2HG      GLN  36  14.557   9.509   0.560
  289   HE21  GLN  36          1HE2      GLN  36  12.792  10.890   1.448
  290   HE22  GLN  36          2HE2      GLN  36  13.092  11.674   3.011
  291    H    ASP  37           H        ASP  37  19.125  10.645  -1.287
  292    HA   ASP  37           HA       ASP  37  21.271   8.674  -1.050
  293    HB2  ASP  37           1HB      ASP  37  21.206  10.291  -2.888
  294    HB3  ASP  37           2HB      ASP  37  21.323  11.627  -1.749
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1 -15.108 -21.947  13.269
    2    H2   GLY   1           2H       GLY   1 -14.062 -23.162  12.936
    3    H3   GLY   1           3H       GLY   1 -14.759 -22.318  11.715
    4    HA2  GLY   1           1HA      GLY   1 -12.843 -21.234  13.678
    5    HA3  GLY   1           2HA      GLY   1 -12.472 -21.627  11.990
    6    H    SER   2           H        SER   2 -11.758 -19.291  12.131
    7    HA   SER   2           HA       SER   2 -13.614 -17.142  12.361
    8    HB2  SER   2           1HB      SER   2 -10.960 -17.220  10.879
    9    HB3  SER   2           2HB      SER   2 -11.830 -15.768  11.407
   10    HG   SER   2           HG       SER   2 -10.179 -16.393  12.891
   11    H    SER   3           H        SER   3 -14.626 -15.821  10.865
   12    HA   SER   3           HA       SER   3 -14.491 -16.354   7.978
   13    HB2  SER   3           1HB      SER   3 -16.206 -17.965   8.864
   14    HB3  SER   3           2HB      SER   3 -17.143 -16.580   9.456
   15    HG   SER   3           HG       SER   3 -17.810 -17.306   7.361
   16    H    GLY   4           H        GLY   4 -15.313 -14.650   6.716
   17    HA2  GLY   4           1HA      GLY   4 -16.880 -12.490   7.406
   18    HA3  GLY   4           2HA      GLY   4 -15.262 -11.986   7.894
   19    H    SER   5           H        SER   5 -16.899 -10.767   5.887
   20    HA   SER   5           HA       SER   5 -15.752 -11.480   3.263
   21    HB2  SER   5           1HB      SER   5 -17.801  -9.367   4.006
   22    HB3  SER   5           2HB      SER   5 -17.379  -9.903   2.368
   23    HG   SER   5           HG       SER   5 -19.265 -10.950   3.171
   24    H    SER   6           H        SER   6 -14.741  -9.426   5.715
   25    HA   SER   6           HA       SER   6 -14.060  -7.081   4.192
   26    HB2  SER   6           1HB      SER   6 -13.229  -7.853   7.006
   27    HB3  SER   6           2HB      SER   6 -13.182  -6.230   6.285
   28    HG   SER   6           HG       SER   6 -15.067  -6.554   7.556
   29    H    GLY   7           H        GLY   7 -12.794  -9.064   2.820
   30    HA2  GLY   7           1HA      GLY   7  -9.996  -9.423   3.487
   31    HA3  GLY   7           2HA      GLY   7 -10.753  -9.740   1.928
   32    H    ILE   8           H        ILE   8  -8.173  -8.548   2.461
   33    HA   ILE   8           HA       ILE   8  -8.439  -5.943   1.040
   34    HB   ILE   8           HB       ILE   8  -6.635  -4.989   2.347
   35   HG12  ILE   8          1HG1      ILE   8  -6.810  -7.447   4.148
   36   HG13  ILE   8          2HG1      ILE   8  -5.472  -7.051   3.069
   37   HG21  ILE   8          1HG2      ILE   8  -7.939  -4.437   4.321
   38   HG22  ILE   8          2HG2      ILE   8  -9.036  -4.630   2.951
   39   HG23  ILE   8          3HG2      ILE   8  -8.895  -5.917   4.169
   40   HD11  ILE   8          3HD1      ILE   8  -5.066  -4.954   4.371
   41   HD12  ILE   8          1HD1      ILE   8  -6.308  -5.481   5.533
   42   HD13  ILE   8          2HD1      ILE   8  -4.846  -6.447   5.305
   43    H    LYS   9           H        LYS   9  -6.763  -5.402  -0.372
   44    HA   LYS   9           HA       LYS   9  -5.031  -7.717  -1.239
   45    HB2  LYS   9           1HB      LYS   9  -6.757  -5.875  -2.948
   46    HB3  LYS   9           2HB      LYS   9  -5.604  -7.063  -3.570
   47    HG2  LYS   9           1HG      LYS   9  -6.873  -8.887  -2.436
   48    HG3  LYS   9           2HG      LYS   9  -8.081  -7.698  -1.909
   49    HD2  LYS   9           1HD      LYS   9  -8.559  -7.125  -4.274
   50    HD3  LYS   9           2HD      LYS   9  -7.352  -8.320  -4.805
   51    HE2  LYS   9           1HE      LYS   9  -8.644 -10.119  -3.670
   52    HE3  LYS   9           2HE      LYS   9  -9.847  -8.929  -3.153
   53    HZ1  LYS   9           3HZ      LYS   9 -10.550 -10.079  -5.175
   54    HZ2  LYS   9           1HZ      LYS   9  -9.218  -9.595  -5.982
   55    HZ3  LYS   9           2HZ      LYS   9 -10.331  -8.496  -5.505
   56    H    GLN  10           H        GLN  10  -5.108  -4.307  -0.661
   57    HA   GLN  10           HA       GLN  10  -2.905  -3.586  -2.392
   58    HB2  GLN  10           1HB      GLN  10  -4.116  -2.083  -0.022
   59    HB3  GLN  10           2HB      GLN  10  -3.025  -1.442  -1.230
   60    HG2  GLN  10           1HG      GLN  10  -5.049  -0.659  -1.964
   61    HG3  GLN  10           2HG      GLN  10  -4.813  -2.061  -2.988
   62   HE21  GLN  10          1HE2      GLN  10  -7.337  -1.075  -2.897
   63   HE22  GLN  10          2HE2      GLN  10  -8.357  -2.074  -1.871
   64    H    HIS  11           H        HIS  11  -0.770  -3.978  -2.028
   65    HA   HIS  11           HA       HIS  11   0.185  -4.288   0.761
   66    HB2  HIS  11           1HB      HIS  11   1.281  -6.338   0.330
   67    HB3  HIS  11           2HB      HIS  11  -0.388  -6.525  -0.186
   68    HD1  HIS  11           1HD      HIS  11   3.153  -6.107  -1.724
   69    HD2  HIS  11           2HD      HIS  11  -0.802  -7.168  -2.736
   70    HE1  HIS  11           1HE      HIS  11   3.249  -7.071  -4.079
   71    H    CYS  12           H        CYS  12   2.347  -4.078   1.165
   72    HA   CYS  12           HA       CYS  12   3.809  -2.082  -0.262
   73    HB2  CYS  12           1HB      CYS  12   3.881  -2.483   2.154
   74    HB3  CYS  12           2HB      CYS  12   4.635  -4.063   1.877
   75    H    ARG  13           H        ARG  13   5.592  -2.179  -1.468
   76    HA   ARG  13           HA       ARG  13   6.174  -4.660  -3.014
   77    HB2  ARG  13           1HB      ARG  13   5.569  -2.607  -4.197
   78    HB3  ARG  13           2HB      ARG  13   6.912  -1.733  -3.479
   79    HG2  ARG  13           1HG      ARG  13   7.519  -4.240  -5.054
   80    HG3  ARG  13           2HG      ARG  13   6.980  -2.816  -5.940
   81    HD2  ARG  13           1HD      ARG  13   8.775  -1.461  -5.132
   82    HD3  ARG  13           2HD      ARG  13   9.319  -2.681  -3.996
   83    HE   ARG  13           HE       ARG  13   9.835  -2.563  -6.871
   84   HH11  ARG  13          2HH1      ARG  13   9.818  -4.783  -4.136
   85   HH12  ARG  13          1HH1      ARG  13  10.983  -5.839  -4.898
   86   HH21  ARG  13          2HH2      ARG  13  11.285  -3.976  -7.767
   87   HH22  ARG  13          1HH2      ARG  13  11.771  -5.400  -6.896
   88    H    PHE  14           H        PHE  14   7.431  -3.008  -0.338
   89    HA   PHE  14           HA       PHE  14  10.228  -3.964  -0.838
   90    HB2  PHE  14           1HB      PHE  14   9.280  -1.694   0.917
   91    HB3  PHE  14           2HB      PHE  14  10.939  -2.087   0.507
   92    HD1  PHE  14           2HD      PHE  14  11.800  -1.677  -1.816
   93    HD2  PHE  14           1HD      PHE  14   7.844  -0.453  -0.609
   94    HE1  PHE  14           2HE      PHE  14  11.643  -0.201  -3.811
   95    HE2  PHE  14           1HE      PHE  14   7.688   1.015  -2.606
   96    HZ   PHE  14           HZ       PHE  14   9.582   1.132  -4.214
   97    H    CYS  15           H        CYS  15   7.622  -3.978   1.563
   98    HA   CYS  15           HA       CYS  15   9.111  -6.052   3.070
   99    HB2  CYS  15           1HB      CYS  15   8.716  -5.084   5.172
  100    HB3  CYS  15           2HB      CYS  15   9.492  -3.880   4.161
  101    H    LYS  16           H        LYS  16   6.523  -5.634   1.306
  102    HA   LYS  16           HA       LYS  16   4.597  -6.728   0.907
  103    HB2  LYS  16           1HB      LYS  16   6.055  -8.948   2.364
  104    HB3  LYS  16           2HB      LYS  16   4.692  -9.154   1.258
  105    HG2  LYS  16           1HG      LYS  16   6.016  -8.111  -0.576
  106    HG3  LYS  16           2HG      LYS  16   7.415  -8.005   0.511
  107    HD2  LYS  16           1HD      LYS  16   7.387 -10.468   0.796
  108    HD3  LYS  16           2HD      LYS  16   5.993 -10.579  -0.305
  109    HE2  LYS  16           1HE      LYS  16   7.349  -9.545  -2.115
  110    HE3  LYS  16           2HE      LYS  16   8.735  -9.436  -1.022
  111    HZ1  LYS  16           3HZ      LYS  16   8.719 -11.871  -0.870
  112    HZ2  LYS  16           1HZ      LYS  16   8.870 -11.412  -2.427
  113    HZ3  LYS  16           2HZ      LYS  16   7.438 -11.972  -1.880
  114    H    LYS  17           H        LYS  17   4.598  -5.387   3.704
  115    HA   LYS  17           HA       LYS  17   2.417  -6.706   5.104
  116    HB2  LYS  17           1HB      LYS  17   3.340  -3.805   5.150
  117    HB3  LYS  17           2HB      LYS  17   2.169  -4.541   6.261
  118    HG2  LYS  17           1HG      LYS  17   3.865  -6.036   7.176
  119    HG3  LYS  17           2HG      LYS  17   5.030  -5.539   5.941
  120    HD2  LYS  17           1HD      LYS  17   4.909  -3.183   6.853
  121    HD3  LYS  17           2HD      LYS  17   3.903  -3.798   8.169
  122    HE2  LYS  17           1HE      LYS  17   6.228  -3.580   8.883
  123    HE3  LYS  17           2HE      LYS  17   5.738  -5.276   8.910
  124    HZ1  LYS  17           3HZ      LYS  17   7.965  -4.836   7.870
  125    HZ2  LYS  17           1HZ      LYS  17   7.212  -4.071   6.617
  126    HZ3  LYS  17           2HZ      LYS  17   6.942  -5.648   6.885
  127    H    LYS  18           H        LYS  18   0.272  -5.761   5.366
  128    HA   LYS  18           HA       LYS  18  -0.886  -4.930   2.728
  129    HB2  LYS  18           1HB      LYS  18  -1.901  -6.758   4.913
  130    HB3  LYS  18           2HB      LYS  18  -2.915  -6.176   3.571
  131    HG2  LYS  18           1HG      LYS  18  -1.269  -7.150   1.948
  132    HG3  LYS  18           2HG      LYS  18  -0.400  -7.882   3.304
  133    HD2  LYS  18           1HD      LYS  18  -3.302  -8.427   2.524
  134    HD3  LYS  18           2HD      LYS  18  -1.917  -9.467   2.169
  135    HE2  LYS  18           1HE      LYS  18  -1.496  -9.724   4.621
  136    HE3  LYS  18           2HE      LYS  18  -2.933  -8.749   4.957
  137    HZ1  LYS  18           3HZ      LYS  18  -4.263 -10.443   3.801
  138    HZ2  LYS  18           1HZ      LYS  18  -3.443 -11.117   5.039
  139    HZ3  LYS  18           2HZ      LYS  18  -2.932 -11.344   3.509
  140    H    TYR  19           H        TYR  19  -2.569  -3.582   2.590
  141    HA   TYR  19           HA       TYR  19  -3.569  -2.104   4.969
  142    HB2  TYR  19           1HB      TYR  19  -2.320  -0.900   2.470
  143    HB3  TYR  19           2HB      TYR  19  -3.411   0.002   3.511
  144    HD1  TYR  19           1HD      TYR  19  -2.833   0.560   5.839
  145    HD2  TYR  19           2HD      TYR  19  -0.017  -1.408   3.227
  146    HE1  TYR  19           1HE      TYR  19  -1.002   1.052   7.448
  147    HE2  TYR  19           2HE      TYR  19   1.813  -0.935   4.857
  148    HH   TYR  19           HH       TYR  19   1.199   0.786   7.952
  149    H    SER  20           H        SER  20  -5.603  -1.006   4.584
  150    HA   SER  20           HA       SER  20  -7.408  -2.621   2.999
  151    HB2  SER  20           1HB      SER  20  -7.975  -0.082   4.568
  152    HB3  SER  20           2HB      SER  20  -9.156  -1.294   4.036
  153    HG   SER  20           HG       SER  20  -8.535  -1.576   6.237
  154    H    ASP  21           H        ASP  21  -5.659   0.190   2.183
  155    HA   ASP  21           HA       ASP  21  -7.172   0.647  -0.283
  156    HB2  ASP  21           1HB      ASP  21  -7.658   2.978   0.170
  157    HB3  ASP  21           2HB      ASP  21  -8.428   1.983   1.396
  158    H    VAL  22           H        VAL  22  -6.135   2.303  -1.663
  159    HA   VAL  22           HA       VAL  22  -3.308   1.801  -1.808
  160    HB   VAL  22           HB       VAL  22  -4.905   2.073  -3.712
  161   HG11  VAL  22          1HG1      VAL  22  -6.005   4.199  -3.022
  162   HG12  VAL  22          2HG1      VAL  22  -4.488   5.060  -3.384
  163   HG13  VAL  22          3HG1      VAL  22  -5.369   4.225  -4.672
  164   HG21  VAL  22          3HG2      VAL  22  -2.467   1.979  -4.033
  165   HG22  VAL  22          1HG2      VAL  22  -3.268   2.997  -5.243
  166   HG23  VAL  22          2HG2      VAL  22  -2.387   3.749  -3.900
  167    H    LYS  23           H        LYS  23  -5.107   4.489  -0.393
  168    HA   LYS  23           HA       LYS  23  -2.914   6.369  -0.749
  169    HB2  LYS  23           1HB      LYS  23  -5.401   6.596   1.010
  170    HB3  LYS  23           2HB      LYS  23  -4.295   7.908   0.626
  171    HG2  LYS  23           1HG      LYS  23  -6.044   6.422  -1.384
  172    HG3  LYS  23           2HG      LYS  23  -6.366   8.006  -0.685
  173    HD2  LYS  23           1HD      LYS  23  -4.292   8.906  -1.753
  174    HD3  LYS  23           2HD      LYS  23  -3.976   7.316  -2.453
  175    HE2  LYS  23           1HE      LYS  23  -4.957   8.618  -4.172
  176    HE3  LYS  23           2HE      LYS  23  -6.152   7.419  -3.672
  177    HZ1  LYS  23           3HZ      LYS  23  -7.260   9.171  -2.377
  178    HZ2  LYS  23           1HZ      LYS  23  -7.126   9.639  -3.932
  179    HZ3  LYS  23           2HZ      LYS  23  -6.127  10.270  -2.810
  180    H    ASN  24           H        ASN  24  -4.187   4.511   2.021
  181    HA   ASN  24           HA       ASN  24  -2.071   5.302   3.842
  182    HB2  ASN  24           1HB      ASN  24  -4.057   3.002   3.792
  183    HB3  ASN  24           2HB      ASN  24  -2.831   3.160   5.049
  184   HD21  ASN  24          1HD2      ASN  24  -6.005   4.026   4.297
  185   HD22  ASN  24          2HD2      ASN  24  -6.136   5.347   5.462
  186    H    LEU  25           H        LEU  25  -2.258   2.719   1.379
  187    HA   LEU  25           HA       LEU  25   0.257   1.501   2.041
  188    HB2  LEU  25           1HB      LEU  25  -1.335   0.369   0.625
  189    HB3  LEU  25           2HB      LEU  25  -1.343   1.695  -0.532
  190    HG   LEU  25           HG       LEU  25   0.996   1.232  -1.155
  191   HD11  LEU  25          1HD1      LEU  25   1.831   0.229   0.953
  192   HD12  LEU  25          2HD1      LEU  25   2.066  -0.844  -0.420
  193   HD13  LEU  25          3HD1      LEU  25   0.743  -1.161   0.725
  194   HD21  LEU  25          3HD2      LEU  25   0.584  -0.824  -2.366
  195   HD22  LEU  25          1HD2      LEU  25  -0.891   0.157  -2.355
  196   HD23  LEU  25          2HD2      LEU  25  -0.746  -1.249  -1.271
  197    H    ILE  26           H        ILE  26  -0.512   4.211  -0.250
  198    HA   ILE  26           HA       ILE  26   2.221   4.682  -0.982
  199    HB   ILE  26           HB       ILE  26  -0.241   6.452  -1.036
  200   HG12  ILE  26          1HG1      ILE  26   1.386   5.229  -3.317
  201   HG13  ILE  26          2HG1      ILE  26   0.042   4.382  -2.575
  202   HG21  ILE  26          1HG2      ILE  26   2.553   7.073  -2.111
  203   HG22  ILE  26          2HG2      ILE  26   1.092   8.009  -2.485
  204   HG23  ILE  26          3HG2      ILE  26   1.692   7.970  -0.839
  205   HD11  ILE  26          3HD1      ILE  26  -1.492   6.245  -3.193
  206   HD12  ILE  26          1HD1      ILE  26  -0.149   7.035  -4.055
  207   HD13  ILE  26          2HD1      ILE  26  -0.732   5.455  -4.588
  208    H    LYS  27           H        LYS  27   0.265   6.102   1.691
  209    HA   LYS  27           HA       LYS  27   2.340   7.749   2.782
  210    HB2  LYS  27           1HB      LYS  27  -0.023   6.337   4.083
  211    HB3  LYS  27           2HB      LYS  27   1.058   7.419   4.965
  212    HG2  LYS  27           1HG      LYS  27   0.508   9.291   3.511
  213    HG3  LYS  27           2HG      LYS  27  -0.501   8.264   2.485
  214    HD2  LYS  27           1HD      LYS  27  -2.008   7.811   4.413
  215    HD3  LYS  27           2HD      LYS  27  -0.997   8.854   5.437
  216    HE2  LYS  27           1HE      LYS  27  -1.449  10.768   3.905
  217    HE3  LYS  27           2HE      LYS  27  -2.478   9.727   2.913
  218    HZ1  LYS  27           3HZ      LYS  27  -3.932   9.437   4.858
  219    HZ2  LYS  27           1HZ      LYS  27  -3.794  11.022   4.490
  220    HZ3  LYS  27           2HZ      LYS  27  -2.981  10.410   5.764
  221    H    HIS  28           H        HIS  28   1.622   4.283   3.486
  222    HA   HIS  28           HA       HIS  28   3.771   3.848   5.302
  223    HB2  HIS  28           1HB      HIS  28   2.082   2.182   5.052
  224    HB3  HIS  28           2HB      HIS  28   2.355   2.024   3.326
  225    HD1  HIS  28           1HD      HIS  28   3.781   0.812   6.624
  226    HD2  HIS  28           2HD      HIS  28   4.466   0.565   2.492
  227    HE1  HIS  28           1HE      HIS  28   5.577  -0.959   6.330
  228    H    ILE  29           H        ILE  29   3.762   3.512   1.704
  229    HA   ILE  29           HA       ILE  29   6.496   2.749   1.492
  230    HB   ILE  29           HB       ILE  29   4.608   4.067  -0.469
  231   HG12  ILE  29          1HG1      ILE  29   5.697   1.218  -0.454
  232   HG13  ILE  29          2HG1      ILE  29   4.217   1.658   0.383
  233   HG21  ILE  29          1HG2      ILE  29   6.243   3.419  -2.262
  234   HG22  ILE  29          2HG2      ILE  29   6.857   4.672  -1.204
  235   HG23  ILE  29          3HG2      ILE  29   7.415   2.993  -0.997
  236   HD11  ILE  29          3HD1      ILE  29   4.676   1.871  -2.614
  237   HD12  ILE  29          1HD1      ILE  29   3.614   0.750  -1.753
  238   HD13  ILE  29          2HD1      ILE  29   3.239   2.486  -1.762
  239    H    ARG  30           H        ARG  30   5.075   6.055   1.330
  240    HA   ARG  30           HA       ARG  30   7.671   7.329   0.985
  241    HB2  ARG  30           1HB      ARG  30   4.955   8.431   1.858
  242    HB3  ARG  30           2HB      ARG  30   6.387   9.407   1.559
  243    HG2  ARG  30           1HG      ARG  30   6.279   7.901  -0.772
  244    HG3  ARG  30           2HG      ARG  30   4.581   8.009  -0.379
  245    HD2  ARG  30           1HD      ARG  30   5.300   9.806  -1.925
  246    HD3  ARG  30           2HD      ARG  30   4.624  10.421  -0.418
  247    HE   ARG  30           HE       ARG  30   6.572  11.568  -0.106
  248   HH11  ARG  30          2HH1      ARG  30   7.594   8.813  -2.076
  249   HH12  ARG  30          1HH1      ARG  30   9.285   9.139  -1.676
  250   HH21  ARG  30          2HH2      ARG  30   8.783  11.885   0.169
  251   HH22  ARG  30          1HH2      ARG  30   9.878  10.718  -0.566
  252    H    ASP  31           H        ASP  31   5.874   6.489   3.925
  253    HA   ASP  31           HA       ASP  31   7.694   8.017   5.618
  254    HB2  ASP  31           1HB      ASP  31   5.291   7.602   6.124
  255    HB3  ASP  31           2HB      ASP  31   5.662   5.891   6.367
  256    H    MET  32           H        MET  32   7.492   4.599   4.623
  257    HA   MET  32           HA       MET  32   9.688   3.870   6.490
  258    HB2  MET  32           1HB      MET  32   7.799   2.158   4.837
  259    HB3  MET  32           2HB      MET  32   9.005   1.550   5.957
  260    HG2  MET  32           1HG      MET  32   6.640   3.311   6.698
  261    HG3  MET  32           2HG      MET  32   6.739   1.576   6.931
  262    HE1  MET  32           3HE      MET  32   9.310   1.145   9.832
  263    HE2  MET  32           1HE      MET  32   8.190   0.343   8.710
  264    HE3  MET  32           2HE      MET  32   9.701   1.063   8.104
  265    H    HIS  33           H        HIS  33   9.199   4.146   2.986
  266    HA   HIS  33           HA       HIS  33  11.846   2.795   2.548
  267    HB2  HIS  33           1HB      HIS  33   9.386   2.609   0.787
  268    HB3  HIS  33           2HB      HIS  33  10.897   1.726   0.608
  269    HD1  HIS  33           1HD      HIS  33  11.335   0.425   3.378
  270    HD2  HIS  33           2HD      HIS  33   7.569   0.965   1.602
  271    HE1  HIS  33           1HE      HIS  33   9.796  -1.237   4.517
  272    H    ASP  34           H        ASP  34   9.641   5.270   1.236
  273    HA   ASP  34           HA       ASP  34   9.886   6.878  -0.350
  274    HB2  ASP  34           1HB      ASP  34  10.754   7.927   1.618
  275    HB3  ASP  34           2HB      ASP  34  12.372   7.321   1.295
  276    HA   PRO  35           HA       PRO  35  12.701   4.637  -3.324
  277    HB2  PRO  35           1HB      PRO  35  10.825   4.039  -5.224
  278    HB3  PRO  35           2HB      PRO  35  11.146   3.004  -3.797
  279    HG2  PRO  35           1HG      PRO  35   8.968   5.101  -4.121
  280    HG3  PRO  35           2HG      PRO  35   8.793   3.412  -3.549
  281    HD2  PRO  35           1HD      PRO  35   9.005   5.489  -1.815
  282    HD3  PRO  35           2HD      PRO  35   9.782   3.916  -1.464
  283    H    GLN  36           H        GLN  36  13.657   5.693  -5.025
  284    HA   GLN  36           HA       GLN  36  12.431   8.043  -6.305
  285    HB2  GLN  36           1HB      GLN  36  15.062   8.106  -4.758
  286    HB3  GLN  36           2HB      GLN  36  14.518   9.368  -5.855
  287    HG2  GLN  36           1HG      GLN  36  13.118   8.545  -3.270
  288    HG3  GLN  36           2HG      GLN  36  14.149   9.945  -3.478
  289   HE21  GLN  36          1HE2      GLN  36  11.386  10.004  -2.577
  290   HE22  GLN  36          2HE2      GLN  36  10.538  10.984  -3.782
  291    H    ASP  37           H        ASP  37  13.125   8.325  -8.311
  292    HA   ASP  37           HA       ASP  37  15.476   6.923  -9.452
  293    HB2  ASP  37           1HB      ASP  37  13.614   5.332  -9.684
  294    HB3  ASP  37           2HB      ASP  37  12.636   6.558 -10.480
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1 -20.994  -2.691   9.545
    2    H2   GLY   1           2H       GLY   1 -21.370  -1.171   9.062
    3    H3   GLY   1           3H       GLY   1 -19.978  -1.450   9.876
    4    HA2  GLY   1           1HA      GLY   1 -19.097  -2.762   8.065
    5    HA3  GLY   1           2HA      GLY   1 -20.611  -2.482   7.186
    6    H    SER   2           H        SER   2 -18.041  -1.806   6.201
    7    HA   SER   2           HA       SER   2 -17.473   1.001   6.616
    8    HB2  SER   2           1HB      SER   2 -16.302  -0.906   4.572
    9    HB3  SER   2           2HB      SER   2 -15.632   0.656   5.090
   10    HG   SER   2           HG       SER   2 -14.653  -1.126   6.178
   11    H    SER   3           H        SER   3 -20.056   1.012   5.777
   12    HA   SER   3           HA       SER   3 -20.540   1.166   2.982
   13    HB2  SER   3           1HB      SER   3 -22.035   2.514   5.262
   14    HB3  SER   3           2HB      SER   3 -22.641   2.263   3.613
   15    HG   SER   3           HG       SER   3 -23.354   0.620   5.052
   16    H    GLY   4           H        GLY   4 -19.625   2.529   1.596
   17    HA2  GLY   4           1HA      GLY   4 -18.982   4.486   0.560
   18    HA3  GLY   4           2HA      GLY   4 -19.723   5.419   1.861
   19    H    SER   5           H        SER   5 -17.488   3.190   3.163
   20    HA   SER   5           HA       SER   5 -15.253   5.175   3.181
   21    HB2  SER   5           1HB      SER   5 -14.960   4.756   5.569
   22    HB3  SER   5           2HB      SER   5 -16.558   5.423   5.209
   23    HG   SER   5           HG       SER   5 -16.663   3.670   6.679
   24    H    SER   6           H        SER   6 -15.947   2.103   2.207
   25    HA   SER   6           HA       SER   6 -13.642   0.640   3.101
   26    HB2  SER   6           1HB      SER   6 -14.190  -0.875   1.202
   27    HB3  SER   6           2HB      SER   6 -15.548  -0.551   2.293
   28    HG   SER   6           HG       SER   6 -16.155  -0.413   0.078
   29    H    GLY   7           H        GLY   7 -11.728   0.133   2.055
   30    HA2  GLY   7           1HA      GLY   7 -10.635   2.277   0.294
   31    HA3  GLY   7           2HA      GLY   7  -9.733   1.236   1.378
   32    H    ILE   8           H        ILE   8  -8.862   1.676  -1.140
   33    HA   ILE   8           HA       ILE   8  -9.481  -0.693  -2.828
   34    HB   ILE   8           HB       ILE   8  -7.452   1.528  -3.249
   35   HG12  ILE   8          1HG1      ILE   8  -9.625   2.567  -3.246
   36   HG13  ILE   8          2HG1      ILE   8  -9.009   2.487  -4.882
   37   HG21  ILE   8          1HG2      ILE   8  -8.521  -0.622  -5.133
   38   HG22  ILE   8          2HG2      ILE   8  -7.520   0.760  -5.628
   39   HG23  ILE   8          3HG2      ILE   8  -6.861  -0.453  -4.533
   40   HD11  ILE   8          3HD1      ILE   8 -11.152   0.656  -3.706
   41   HD12  ILE   8          1HD1      ILE   8 -11.404   2.001  -4.828
   42   HD13  ILE   8          2HD1      ILE   8 -10.523   0.564  -5.369
   43    H    LYS   9           H        LYS   9  -8.845  -2.390  -1.484
   44    HA   LYS   9           HA       LYS   9  -6.545  -2.455   0.099
   45    HB2  LYS   9           1HB      LYS   9  -6.933  -4.825   0.396
   46    HB3  LYS   9           2HB      LYS   9  -8.444  -3.919   0.452
   47    HG2  LYS   9           1HG      LYS   9  -8.924  -4.610  -1.915
   48    HG3  LYS   9           2HG      LYS   9  -7.427  -5.561  -1.917
   49    HD2  LYS   9           1HD      LYS   9  -8.290  -6.932  -0.039
   50    HD3  LYS   9           2HD      LYS   9  -9.791  -5.978  -0.036
   51    HE2  LYS   9           1HE      LYS   9 -10.223  -6.661  -2.390
   52    HE3  LYS   9           2HE      LYS   9  -8.734  -7.615  -2.388
   53    HZ1  LYS   9           3HZ      LYS   9 -10.674  -8.999  -1.924
   54    HZ2  LYS   9           1HZ      LYS   9 -11.074  -8.107  -0.619
   55    HZ3  LYS   9           2HZ      LYS   9  -9.698  -8.991  -0.618
   56    H    GLN  10           H        GLN  10  -4.552  -3.276   0.051
   57    HA   GLN  10           HA       GLN  10  -3.266  -4.237  -2.438
   58    HB2  GLN  10           1HB      GLN  10  -2.775  -1.506  -1.143
   59    HB3  GLN  10           2HB      GLN  10  -1.561  -2.292  -2.140
   60    HG2  GLN  10           1HG      GLN  10  -4.286  -1.459  -3.157
   61    HG3  GLN  10           2HG      GLN  10  -2.770  -0.607  -3.389
   62   HE21  GLN  10          1HE2      GLN  10  -4.669  -3.379  -4.415
   63   HE22  GLN  10          2HE2      GLN  10  -3.581  -3.845  -5.728
   64    H    HIS  11           H        HIS  11  -0.766  -4.305  -1.991
   65    HA   HIS  11           HA       HIS  11  -0.101  -4.682   0.851
   66    HB2  HIS  11           1HB      HIS  11   1.121  -6.711   0.505
   67    HB3  HIS  11           2HB      HIS  11  -0.535  -6.966  -0.027
   68    HD1  HIS  11           1HD      HIS  11   2.996  -6.394  -1.570
   69    HD2  HIS  11           2HD      HIS  11  -0.878  -7.747  -2.541
   70    HE1  HIS  11           1HE      HIS  11   3.154  -7.415  -3.898
   71    H    CYS  12           H        CYS  12   2.096  -4.303   1.339
   72    HA   CYS  12           HA       CYS  12   3.408  -2.314  -0.222
   73    HB2  CYS  12           1HB      CYS  12   3.586  -2.577   2.224
   74    HB3  CYS  12           2HB      CYS  12   4.490  -4.082   1.995
   75    H    ARG  13           H        ARG  13   5.200  -2.324  -1.385
   76    HA   ARG  13           HA       ARG  13   5.876  -4.840  -2.874
   77    HB2  ARG  13           1HB      ARG  13   5.902  -1.906  -3.669
   78    HB3  ARG  13           2HB      ARG  13   6.603  -3.186  -4.671
   79    HG2  ARG  13           1HG      ARG  13   4.506  -4.278  -4.987
   80    HG3  ARG  13           2HG      ARG  13   3.710  -3.341  -3.719
   81    HD2  ARG  13           1HD      ARG  13   3.862  -1.292  -5.034
   82    HD3  ARG  13           2HD      ARG  13   4.814  -2.120  -6.268
   83    HE   ARG  13           HE       ARG  13   2.903  -2.967  -7.201
   84   HH11  ARG  13          2HH1      ARG  13   1.900  -2.069  -3.929
   85   HH12  ARG  13          1HH1      ARG  13   0.212  -2.164  -4.395
   86   HH21  ARG  13          1HH2      ARG  13   0.704  -3.113  -7.586
   87   HH22  ARG  13          2HH2      ARG  13  -0.407  -2.739  -6.280
   88    H    PHE  14           H        PHE  14   7.063  -3.126  -0.388
   89    HA   PHE  14           HA       PHE  14   9.914  -3.825  -1.010
   90    HB2  PHE  14           1HB      PHE  14   8.912  -1.543   0.700
   91    HB3  PHE  14           2HB      PHE  14  10.579  -1.879   0.273
   92    HD1  PHE  14           2HD      PHE  14  11.377  -1.509  -2.086
   93    HD2  PHE  14           1HD      PHE  14   7.406  -0.393  -0.823
   94    HE1  PHE  14           2HE      PHE  14  11.118  -0.109  -4.122
   95    HE2  PHE  14           1HE      PHE  14   7.153   1.007  -2.859
   96    HZ   PHE  14           HZ       PHE  14   9.003   1.139  -4.517
   97    H    CYS  15           H        CYS  15   7.353  -3.859   1.474
   98    HA   CYS  15           HA       CYS  15   8.977  -5.834   2.975
   99    HB2  CYS  15           1HB      CYS  15   8.570  -4.873   5.071
  100    HB3  CYS  15           2HB      CYS  15   9.263  -3.642   4.032
  101    H    LYS  16           H        LYS  16   6.378  -5.689   1.230
  102    HA   LYS  16           HA       LYS  16   4.541  -6.948   0.893
  103    HB2  LYS  16           1HB      LYS  16   6.150  -8.957   2.484
  104    HB3  LYS  16           2HB      LYS  16   4.804  -9.331   1.403
  105    HG2  LYS  16           1HG      LYS  16   6.043  -8.305  -0.501
  106    HG3  LYS  16           2HG      LYS  16   7.435  -8.038   0.568
  107    HD2  LYS  16           1HD      LYS  16   7.584 -10.475   0.992
  108    HD3  LYS  16           2HD      LYS  16   6.193 -10.747  -0.083
  109    HE2  LYS  16           1HE      LYS  16   7.457  -9.726  -1.966
  110    HE3  LYS  16           2HE      LYS  16   8.841  -9.463  -0.899
  111    HZ1  LYS  16           3HZ      LYS  16   8.993 -11.883  -0.612
  112    HZ2  LYS  16           1HZ      LYS  16   9.098 -11.501  -2.194
  113    HZ3  LYS  16           2HZ      LYS  16   7.712 -12.124  -1.599
  114    H    LYS  17           H        LYS  17   4.458  -5.492   3.670
  115    HA   LYS  17           HA       LYS  17   2.445  -6.919   5.171
  116    HB2  LYS  17           1HB      LYS  17   3.092  -3.945   5.029
  117    HB3  LYS  17           2HB      LYS  17   2.014  -4.698   6.216
  118    HG2  LYS  17           1HG      LYS  17   3.846  -6.003   7.161
  119    HG3  LYS  17           2HG      LYS  17   4.940  -5.468   5.875
  120    HD2  LYS  17           1HD      LYS  17   4.667  -3.097   6.669
  121    HD3  LYS  17           2HD      LYS  17   3.679  -3.694   8.006
  122    HE2  LYS  17           1HE      LYS  17   5.976  -3.277   8.732
  123    HE3  LYS  17           2HE      LYS  17   5.576  -4.992   8.882
  124    HZ1  LYS  17           3HZ      LYS  17   6.838  -5.450   6.910
  125    HZ2  LYS  17           1HZ      LYS  17   7.798  -4.511   7.846
  126    HZ3  LYS  17           2HZ      LYS  17   7.026  -3.882   6.530
  127    H    LYS  18           H        LYS  18   0.231  -6.791   5.166
  128    HA   LYS  18           HA       LYS  18  -1.120  -5.952   2.700
  129    HB2  LYS  18           1HB      LYS  18  -1.632  -8.040   3.957
  130    HB3  LYS  18           2HB      LYS  18  -2.254  -7.063   5.295
  131    HG2  LYS  18           1HG      LYS  18  -3.986  -6.103   3.787
  132    HG3  LYS  18           2HG      LYS  18  -3.347  -7.042   2.433
  133    HD2  LYS  18           1HD      LYS  18  -4.534  -8.208   4.993
  134    HD3  LYS  18           2HD      LYS  18  -5.399  -8.009   3.463
  135    HE2  LYS  18           1HE      LYS  18  -3.761  -9.511   2.337
  136    HE3  LYS  18           2HE      LYS  18  -2.924  -9.747   3.876
  137    HZ1  LYS  18           3HZ      LYS  18  -4.489 -11.547   3.444
  138    HZ2  LYS  18           1HZ      LYS  18  -5.746 -10.512   3.344
  139    HZ3  LYS  18           2HZ      LYS  18  -4.971 -10.725   4.768
  140    H    TYR  19           H        TYR  19  -2.484  -4.261   2.395
  141    HA   TYR  19           HA       TYR  19  -2.927  -2.304   4.596
  142    HB2  TYR  19           1HB      TYR  19  -1.479  -1.899   2.013
  143    HB3  TYR  19           2HB      TYR  19  -2.625  -0.651   2.475
  144    HD1  TYR  19           2HD      TYR  19   0.418  -2.485   3.649
  145    HD2  TYR  19           1HD      TYR  19  -2.236   0.858   4.265
  146    HE1  TYR  19           2HE      TYR  19   1.907  -1.636   5.456
  147    HE2  TYR  19           1HE      TYR  19  -0.744   1.713   6.065
  148    HH   TYR  19           HH       TYR  19   2.175  -0.088   7.114
  149    H    SER  20           H        SER  20  -4.776  -1.216   4.640
  150    HA   SER  20           HA       SER  20  -7.087  -2.418   3.460
  151    HB2  SER  20           1HB      SER  20  -8.257  -0.559   4.674
  152    HB3  SER  20           2HB      SER  20  -7.148  -1.504   5.681
  153    HG   SER  20           HG       SER  20  -6.931   0.770   5.991
  154    H    ASP  21           H        ASP  21  -5.162   0.346   2.489
  155    HA   ASP  21           HA       ASP  21  -6.864   0.822   0.132
  156    HB2  ASP  21           1HB      ASP  21  -7.867   2.211   1.914
  157    HB3  ASP  21           2HB      ASP  21  -6.298   2.950   2.225
  158    H    VAL  22           H        VAL  22  -5.761   1.764  -1.595
  159    HA   VAL  22           HA       VAL  22  -2.948   1.560  -1.670
  160    HB   VAL  22           HB       VAL  22  -4.439   1.390  -3.589
  161   HG11  VAL  22          1HG1      VAL  22  -5.885   3.373  -3.249
  162   HG12  VAL  22          2HG1      VAL  22  -4.513   4.413  -3.721
  163   HG13  VAL  22          3HG1      VAL  22  -5.206   3.264  -4.877
  164   HG21  VAL  22          3HG2      VAL  22  -1.992   1.671  -3.876
  165   HG22  VAL  22          1HG2      VAL  22  -2.934   2.287  -5.245
  166   HG23  VAL  22          2HG2      VAL  22  -2.242   3.418  -4.068
  167    H    LYS  23           H        LYS  23  -4.914   4.446  -0.858
  168    HA   LYS  23           HA       LYS  23  -2.596   6.166  -1.216
  169    HB2  LYS  23           1HB      LYS  23  -5.221   6.838   0.199
  170    HB3  LYS  23           2HB      LYS  23  -3.939   7.954  -0.209
  171    HG2  LYS  23           1HG      LYS  23  -5.347   8.392  -1.940
  172    HG3  LYS  23           2HG      LYS  23  -4.301   7.191  -2.683
  173    HD2  LYS  23           1HD      LYS  23  -6.565   6.704  -3.318
  174    HD3  LYS  23           2HD      LYS  23  -6.076   5.452  -2.182
  175    HE2  LYS  23           1HE      LYS  23  -7.206   6.830  -0.347
  176    HE3  LYS  23           2HE      LYS  23  -7.865   7.850  -1.635
  177    HZ1  LYS  23           3HZ      LYS  23  -8.892   5.783  -2.549
  178    HZ2  LYS  23           1HZ      LYS  23  -9.425   6.108  -1.038
  179    HZ3  LYS  23           2HZ      LYS  23  -8.318   4.930  -1.259
  180    H    ASN  24           H        ASN  24  -4.241   4.569   1.466
  181    HA   ASN  24           HA       ASN  24  -2.583   5.448   3.635
  182    HB2  ASN  24           1HB      ASN  24  -4.784   4.208   3.784
  183    HB3  ASN  24           2HB      ASN  24  -3.958   2.750   3.237
  184   HD21  ASN  24          2HD2      ASN  24  -4.880   1.886   5.313
  185   HD22  ASN  24          1HD2      ASN  24  -3.933   2.176   6.761
  186    H    LEU  25           H        LEU  25  -2.204   2.698   1.324
  187    HA   LEU  25           HA       LEU  25   0.308   1.840   2.351
  188    HB2  LEU  25           1HB      LEU  25  -1.071   0.422   0.921
  189    HB3  LEU  25           2HB      LEU  25  -0.916   1.560  -0.416
  190    HG   LEU  25           HG       LEU  25   1.517   1.141  -0.523
  191   HD11  LEU  25          1HD1      LEU  25   2.587  -0.616   0.709
  192   HD12  LEU  25          2HD1      LEU  25   1.062  -1.106   1.483
  193   HD13  LEU  25          3HD1      LEU  25   1.841   0.430   1.898
  194   HD21  LEU  25          3HD2      LEU  25  -0.096  -1.416  -0.604
  195   HD22  LEU  25          1HD2      LEU  25   1.414  -1.067  -1.477
  196   HD23  LEU  25          2HD2      LEU  25  -0.061  -0.176  -1.887
  197    H    ILE  26           H        ILE  26  -0.398   4.239  -0.275
  198    HA   ILE  26           HA       ILE  26   2.338   4.747  -0.920
  199    HB   ILE  26           HB       ILE  26  -0.178   6.407  -1.199
  200   HG12  ILE  26          1HG1      ILE  26   1.625   5.166  -3.331
  201   HG13  ILE  26          2HG1      ILE  26   0.321   4.259  -2.588
  202   HG21  ILE  26          1HG2      ILE  26   1.140   7.941  -2.685
  203   HG22  ILE  26          2HG2      ILE  26   1.639   8.046  -1.007
  204   HG23  ILE  26          3HG2      ILE  26   2.629   7.126  -2.164
  205   HD11  ILE  26          3HD1      ILE  26  -0.011   6.803  -4.229
  206   HD12  ILE  26          1HD1      ILE  26  -0.456   5.153  -4.686
  207   HD13  ILE  26          2HD1      ILE  26  -1.325   5.963  -3.369
  208    H    LYS  27           H        LYS  27   0.287   6.212   1.633
  209    HA   LYS  27           HA       LYS  27   2.314   7.975   2.680
  210    HB2  LYS  27           1HB      LYS  27  -0.094   6.638   3.977
  211    HB3  LYS  27           2HB      LYS  27   0.956   7.785   4.815
  212    HG2  LYS  27           1HG      LYS  27   0.427   9.555   3.228
  213    HG3  LYS  27           2HG      LYS  27  -0.465   8.443   2.199
  214    HD2  LYS  27           1HD      LYS  27  -2.042   9.772   3.471
  215    HD3  LYS  27           2HD      LYS  27  -2.148   8.082   3.944
  216    HE2  LYS  27           1HE      LYS  27  -2.323   9.406   5.929
  217    HE3  LYS  27           2HE      LYS  27  -0.771   8.571   5.978
  218    HZ1  LYS  27           3HZ      LYS  27   0.285  10.659   5.244
  219    HZ2  LYS  27           1HZ      LYS  27  -0.571  10.918   6.607
  220    HZ3  LYS  27           2HZ      LYS  27  -1.165  11.413   5.173
  221    H    HIS  28           H        HIS  28   1.604   4.540   3.508
  222    HA   HIS  28           HA       HIS  28   3.726   4.220   5.402
  223    HB2  HIS  28           1HB      HIS  28   2.120   2.518   5.312
  224    HB3  HIS  28           2HB      HIS  28   2.236   2.322   3.576
  225    HD1  HIS  28           1HD      HIS  28   4.325   1.477   6.711
  226    HD2  HIS  28           2HD      HIS  28   4.031   0.634   2.607
  227    HE1  HIS  28           1HE      HIS  28   5.967  -0.395   6.275
  228    H    ILE  29           H        ILE  29   3.766   3.732   1.834
  229    HA   ILE  29           HA       ILE  29   6.490   2.919   1.677
  230    HB   ILE  29           HB       ILE  29   4.644   4.207  -0.361
  231   HG12  ILE  29          1HG1      ILE  29   5.689   1.340  -0.189
  232   HG13  ILE  29          2HG1      ILE  29   4.179   1.840   0.548
  233   HG21  ILE  29          1HG2      ILE  29   6.287   3.506  -2.103
  234   HG22  ILE  29          2HG2      ILE  29   6.956   4.727  -1.043
  235   HG23  ILE  29          3HG2      ILE  29   7.419   3.020  -0.827
  236   HD11  ILE  29          3HD1      ILE  29   4.795   1.900  -2.430
  237   HD12  ILE  29          1HD1      ILE  29   3.695   0.817  -1.573
  238   HD13  ILE  29          2HD1      ILE  29   3.316   2.550  -1.683
  239    H    ARG  30           H        ARG  30   5.105   6.227   1.318
  240    HA   ARG  30           HA       ARG  30   7.678   7.521   1.005
  241    HB2  ARG  30           1HB      ARG  30   4.929   8.536   1.853
  242    HB3  ARG  30           2HB      ARG  30   6.320   9.593   1.576
  243    HG2  ARG  30           1HG      ARG  30   6.487   8.907  -0.751
  244    HG3  ARG  30           2HG      ARG  30   5.201   7.706  -0.547
  245    HD2  ARG  30           1HD      ARG  30   3.595   9.495   0.007
  246    HD3  ARG  30           2HD      ARG  30   4.874  10.714  -0.204
  247    HE   ARG  30           HE       ARG  30   4.804   9.220  -2.584
  248   HH11  ARG  30          2HH1      ARG  30   2.598  11.376  -0.925
  249   HH12  ARG  30          1HH1      ARG  30   1.794  11.837  -2.400
  250   HH21  ARG  30          2HH2      ARG  30   3.740   9.856  -4.429
  251   HH22  ARG  30          1HH2      ARG  30   2.434  10.999  -4.330
  252    H    ASP  31           H        ASP  31   5.928   6.587   3.927
  253    HA   ASP  31           HA       ASP  31   7.672   8.152   5.671
  254    HB2  ASP  31           1HB      ASP  31   5.308   7.669   6.191
  255    HB3  ASP  31           2HB      ASP  31   5.687   5.948   6.317
  256    H    MET  32           H        MET  32   7.520   4.689   4.727
  257    HA   MET  32           HA       MET  32   9.825   4.117   6.528
  258    HB2  MET  32           1HB      MET  32   7.828   2.216   5.252
  259    HB3  MET  32           2HB      MET  32   9.116   1.798   6.384
  260    HG2  MET  32           1HG      MET  32   8.001   3.567   7.960
  261    HG3  MET  32           2HG      MET  32   6.608   3.398   6.889
  262    HE1  MET  32           3HE      MET  32   8.267   0.187   9.794
  263    HE2  MET  32           1HE      MET  32   9.238   0.733   8.412
  264    HE3  MET  32           2HE      MET  32   8.801   1.879   9.701
  265    H    HIS  33           H        HIS  33   9.222   4.264   3.089
  266    HA   HIS  33           HA       HIS  33  11.777   2.765   2.578
  267    HB2  HIS  33           1HB      HIS  33   9.282   2.740   0.855
  268    HB3  HIS  33           2HB      HIS  33  10.744   1.789   0.631
  269    HD1  HIS  33           1HD      HIS  33  11.067   0.531   3.526
  270    HD2  HIS  33           2HD      HIS  33   7.466   0.982   1.418
  271    HE1  HIS  33           1HE      HIS  33   9.479  -1.189   4.502
  272    H    ASP  34           H        ASP  34   9.620   5.306   1.351
  273    HA   ASP  34           HA       ASP  34   9.844   6.930  -0.202
  274    HB2  ASP  34           1HB      ASP  34  10.734   7.819   1.902
  275    HB3  ASP  34           2HB      ASP  34  12.365   7.405   1.395
  276    HA   PRO  35           HA       PRO  35  12.817   4.426  -2.819
  277    HB2  PRO  35           1HB      PRO  35  11.134   3.720  -4.874
  278    HB3  PRO  35           2HB      PRO  35  11.237   2.840  -3.319
  279    HG2  PRO  35           1HG      PRO  35   9.243   4.998  -4.098
  280    HG3  PRO  35           2HG      PRO  35   8.902   3.393  -3.380
  281    HD2  PRO  35           1HD      PRO  35   9.047   5.596  -1.832
  282    HD3  PRO  35           2HD      PRO  35   9.750   4.048  -1.271
  283    H    GLN  36           H        GLN  36  14.181   5.404  -4.112
  284    HA   GLN  36           HA       GLN  36  13.379   7.504  -6.047
  285    HB2  GLN  36           1HB      GLN  36  14.802   9.176  -4.990
  286    HB3  GLN  36           2HB      GLN  36  13.576   8.600  -3.872
  287    HG2  GLN  36           1HG      GLN  36  15.393   7.009  -2.921
  288    HG3  GLN  36           2HG      GLN  36  16.551   7.948  -3.865
  289   HE21  GLN  36          1HE2      GLN  36  14.064   8.148  -1.287
  290   HE22  GLN  36          2HE2      GLN  36  14.704   9.613  -0.555
  291    H    ASP  37           H        ASP  37  14.916   4.765  -5.950
  292    HA   ASP  37           HA       ASP  37  17.570   5.440  -7.018
  293    HB2  ASP  37           1HB      ASP  37  17.275   3.545  -5.497
  294    HB3  ASP  37           2HB      ASP  37  16.158   2.782  -6.623
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -20.359 -21.639  -1.864
    2    H2   GLY   1           2H       GLY   1 -18.945 -22.431  -2.100
    3    H3   GLY   1           3H       GLY   1 -19.847 -21.958  -3.385
    4    HA2  GLY   1           1HA      GLY   1 -18.511 -20.149  -1.478
    5    HA3  GLY   1           2HA      GLY   1 -17.945 -20.502  -3.120
    6    H    SER   2           H        SER   2 -18.374 -17.904  -2.376
    7    HA   SER   2           HA       SER   2 -20.975 -16.860  -2.936
    8    HB2  SER   2           1HB      SER   2 -18.269 -15.486  -3.137
    9    HB3  SER   2           2HB      SER   2 -19.849 -14.689  -3.029
   10    HG   SER   2           HG       SER   2 -18.806 -14.833  -0.983
   11    H    SER   3           H        SER   3 -21.776 -15.691  -4.718
   12    HA   SER   3           HA       SER   3 -21.238 -16.787  -7.298
   13    HB2  SER   3           1HB      SER   3 -22.800 -14.274  -6.601
   14    HB3  SER   3           2HB      SER   3 -22.955 -15.241  -8.076
   15    HG   SER   3           HG       SER   3 -23.731 -16.968  -6.818
   16    H    GLY   4           H        GLY   4 -19.688 -14.147  -5.722
   17    HA2  GLY   4           1HA      GLY   4 -17.831 -13.724  -7.865
   18    HA3  GLY   4           2HA      GLY   4 -18.945 -12.357  -7.743
   19    H    SER   5           H        SER   5 -16.291 -11.912  -7.342
   20    HA   SER   5           HA       SER   5 -16.148 -11.005  -4.548
   21    HB2  SER   5           1HB      SER   5 -13.958 -12.042  -4.134
   22    HB3  SER   5           2HB      SER   5 -15.217 -13.260  -4.384
   23    HG   SER   5           HG       SER   5 -13.300 -13.756  -5.544
   24    H    SER   6           H        SER   6 -14.278  -9.636  -4.128
   25    HA   SER   6           HA       SER   6 -12.938  -8.391  -6.479
   26    HB2  SER   6           1HB      SER   6 -14.318  -6.868  -4.230
   27    HB3  SER   6           2HB      SER   6 -13.226  -6.155  -5.425
   28    HG   SER   6           HG       SER   6 -15.702  -7.465  -5.964
   29    H    GLY   7           H        GLY   7 -10.870  -7.538  -6.027
   30    HA2  GLY   7           1HA      GLY   7  -9.370  -8.921  -4.016
   31    HA3  GLY   7           2HA      GLY   7  -8.780  -7.628  -5.062
   32    H    ILE   8           H        ILE   8 -10.272  -5.498  -4.300
   33    HA   ILE   8           HA       ILE   8 -10.362  -3.711  -2.971
   34    HB   ILE   8           HB       ILE   8 -10.736  -5.664  -0.689
   35   HG12  ILE   8          1HG1      ILE   8 -12.392  -6.169  -2.375
   36   HG13  ILE   8          2HG1      ILE   8 -13.146  -5.370  -1.015
   37   HG21  ILE   8          1HG2      ILE   8 -10.284  -3.465   0.200
   38   HG22  ILE   8          2HG2      ILE   8 -11.418  -2.708  -0.935
   39   HG23  ILE   8          3HG2      ILE   8 -12.012  -3.778   0.352
   40   HD11  ILE   8          3HD1      ILE   8 -14.099  -4.564  -3.107
   41   HD12  ILE   8          1HD1      ILE   8 -13.239  -3.235  -2.317
   42   HD13  ILE   8          2HD1      ILE   8 -12.507  -4.076  -3.706
   43    H    LYS   9           H        LYS   9  -8.280  -5.990  -1.150
   44    HA   LYS   9           HA       LYS   9  -6.752  -3.823   0.061
   45    HB2  LYS   9           1HB      LYS   9  -6.290  -6.837   0.089
   46    HB3  LYS   9           2HB      LYS   9  -5.442  -5.648   1.088
   47    HG2  LYS   9           1HG      LYS   9  -7.667  -4.955   2.056
   48    HG3  LYS   9           2HG      LYS   9  -8.423  -6.289   1.176
   49    HD2  LYS   9           1HD      LYS   9  -7.006  -7.907   2.400
   50    HD3  LYS   9           2HD      LYS   9  -6.212  -6.563   3.261
   51    HE2  LYS   9           1HE      LYS   9  -8.404  -5.860   4.187
   52    HE3  LYS   9           2HE      LYS   9  -9.198  -7.193   3.340
   53    HZ1  LYS   9           3HZ      LYS   9  -7.862  -8.744   4.673
   54    HZ2  LYS   9           1HZ      LYS   9  -8.733  -7.771   5.648
   55    HZ3  LYS   9           2HZ      LYS   9  -7.136  -7.505   5.461
   56    H    GLN  10           H        GLN  10  -4.495  -3.577  -0.019
   57    HA   GLN  10           HA       GLN  10  -3.053  -4.393  -2.502
   58    HB2  GLN  10           1HB      GLN  10  -3.185  -1.581  -1.334
   59    HB3  GLN  10           2HB      GLN  10  -2.106  -2.090  -2.634
   60    HG2  GLN  10           1HG      GLN  10  -5.147  -2.142  -2.866
   61    HG3  GLN  10           2HG      GLN  10  -4.130  -0.802  -3.363
   62   HE21  GLN  10          1HE2      GLN  10  -4.874  -4.250  -4.096
   63   HE22  GLN  10          2HE2      GLN  10  -4.208  -4.158  -5.726
   64    H    HIS  11           H        HIS  11  -0.652  -4.207  -2.237
   65    HA   HIS  11           HA       HIS  11   0.213  -4.355   0.595
   66    HB2  HIS  11           1HB      HIS  11   1.356  -6.456   0.240
   67    HB3  HIS  11           2HB      HIS  11  -0.362  -6.627  -0.082
   68    HD1  HIS  11           1HD      HIS  11  -1.038  -7.215  -2.648
   69    HD2  HIS  11           2HD      HIS  11   3.065  -6.707  -1.853
   70    HE1  HIS  11           1HE      HIS  11   0.200  -8.073  -4.703
   71    H    CYS  12           H        CYS  12   2.374  -4.178   1.055
   72    HA   CYS  12           HA       CYS  12   3.827  -2.231  -0.465
   73    HB2  CYS  12           1HB      CYS  12   3.784  -2.371   1.979
   74    HB3  CYS  12           2HB      CYS  12   4.599  -3.947   1.914
   75    H    ARG  13           H        ARG  13   5.466  -2.351  -1.784
   76    HA   ARG  13           HA       ARG  13   6.270  -4.883  -3.039
   77    HB2  ARG  13           1HB      ARG  13   5.821  -2.756  -4.274
   78    HB3  ARG  13           2HB      ARG  13   7.222  -2.018  -3.491
   79    HG2  ARG  13           1HG      ARG  13   8.727  -3.610  -4.610
   80    HG3  ARG  13           2HG      ARG  13   7.332  -4.480  -5.289
   81    HD2  ARG  13           1HD      ARG  13   6.683  -2.435  -6.532
   82    HD3  ARG  13           2HD      ARG  13   8.087  -1.581  -5.852
   83    HE   ARG  13           HE       ARG  13   9.063  -3.928  -7.085
   84   HH11  ARG  13          2HH1      ARG  13   7.514  -0.979  -8.165
   85   HH12  ARG  13          1HH1      ARG  13   8.251  -1.060  -9.743
   86   HH21  ARG  13          2HH2      ARG  13   9.969  -3.972  -9.114
   87   HH22  ARG  13          1HH2      ARG  13   9.606  -2.713 -10.257
   88    H    PHE  14           H        PHE  14   7.443  -2.981  -0.423
   89    HA   PHE  14           HA       PHE  14  10.235  -4.001  -0.726
   90    HB2  PHE  14           1HB      PHE  14   9.229  -1.689   0.929
   91    HB3  PHE  14           2HB      PHE  14  10.896  -2.070   0.540
   92    HD1  PHE  14           2HD      PHE  14  11.730  -1.768  -1.831
   93    HD2  PHE  14           1HD      PHE  14   7.804  -0.468  -0.608
   94    HE1  PHE  14           2HE      PHE  14  11.557  -0.358  -3.871
   95    HE2  PHE  14           1HE      PHE  14   7.637   0.944  -2.641
   96    HZ   PHE  14           HZ       PHE  14   9.510   0.994  -4.281
   97    H    CYS  15           H        CYS  15   7.547  -3.960   1.601
   98    HA   CYS  15           HA       CYS  15   9.040  -5.932   3.242
   99    HB2  CYS  15           1HB      CYS  15   8.586  -4.850   5.285
  100    HB3  CYS  15           2HB      CYS  15   9.376  -3.700   4.218
  101    H    LYS  16           H        LYS  16   6.492  -5.740   1.405
  102    HA   LYS  16           HA       LYS  16   4.606  -6.925   1.081
  103    HB2  LYS  16           1HB      LYS  16   6.029  -8.926   2.850
  104    HB3  LYS  16           2HB      LYS  16   4.739  -9.284   1.696
  105    HG2  LYS  16           1HG      LYS  16   6.157  -8.385  -0.155
  106    HG3  LYS  16           2HG      LYS  16   7.491  -8.174   0.982
  107    HD2  LYS  16           1HD      LYS  16   6.146 -10.825   0.314
  108    HD3  LYS  16           2HD      LYS  16   7.678 -10.239  -0.355
  109    HE2  LYS  16           1HE      LYS  16   8.648 -10.164   1.942
  110    HE3  LYS  16           2HE      LYS  16   7.135 -10.805   2.595
  111    HZ1  LYS  16           3HZ      LYS  16   8.757 -12.572   2.239
  112    HZ2  LYS  16           1HZ      LYS  16   8.882 -12.220   0.651
  113    HZ3  LYS  16           2HZ      LYS  16   7.481 -12.811   1.251
  114    H    LYS  17           H        LYS  17   4.526  -5.279   3.724
  115    HA   LYS  17           HA       LYS  17   2.328  -6.441   5.219
  116    HB2  LYS  17           1HB      LYS  17   3.212  -3.545   4.886
  117    HB3  LYS  17           2HB      LYS  17   1.994  -4.123   6.038
  118    HG2  LYS  17           1HG      LYS  17   3.649  -5.461   7.227
  119    HG3  LYS  17           2HG      LYS  17   4.869  -5.125   5.989
  120    HD2  LYS  17           1HD      LYS  17   4.720  -2.676   6.561
  121    HD3  LYS  17           2HD      LYS  17   3.615  -3.088   7.873
  122    HE2  LYS  17           1HE      LYS  17   5.897  -2.765   8.703
  123    HE3  LYS  17           2HE      LYS  17   5.357  -4.423   8.979
  124    HZ1  LYS  17           3HZ      LYS  17   6.695  -5.159   7.150
  125    HZ2  LYS  17           1HZ      LYS  17   7.667  -4.195   8.045
  126    HZ3  LYS  17           2HZ      LYS  17   7.015  -3.657   6.629
  127    H    LYS  18           H        LYS  18   0.136  -5.660   5.262
  128    HA   LYS  18           HA       LYS  18  -0.937  -5.085   2.522
  129    HB2  LYS  18           1HB      LYS  18  -0.929  -7.480   3.339
  130    HB3  LYS  18           2HB      LYS  18  -2.074  -6.989   4.592
  131    HG2  LYS  18           1HG      LYS  18  -3.629  -6.192   2.748
  132    HG3  LYS  18           2HG      LYS  18  -2.489  -6.826   1.560
  133    HD2  LYS  18           1HD      LYS  18  -4.016  -8.396   3.680
  134    HD3  LYS  18           2HD      LYS  18  -4.373  -8.378   1.959
  135    HE2  LYS  18           1HE      LYS  18  -1.810  -9.481   3.206
  136    HE3  LYS  18           2HE      LYS  18  -3.215 -10.445   2.766
  137    HZ1  LYS  18           3HZ      LYS  18  -1.568  -8.893   0.842
  138    HZ2  LYS  18           1HZ      LYS  18  -2.900  -9.765   0.449
  139    HZ3  LYS  18           2HZ      LYS  18  -1.569 -10.512   1.015
  140    H    TYR  19           H        TYR  19  -2.682  -3.818   2.295
  141    HA   TYR  19           HA       TYR  19  -3.887  -2.468   4.674
  142    HB2  TYR  19           1HB      TYR  19  -2.714  -1.111   2.212
  143    HB3  TYR  19           2HB      TYR  19  -3.548  -0.305   3.532
  144    HD1  TYR  19           2HD      TYR  19  -0.442  -2.053   2.529
  145    HD2  TYR  19           1HD      TYR  19  -2.455   0.080   5.691
  146    HE1  TYR  19           2HE      TYR  19   1.701  -1.916   3.801
  147    HE2  TYR  19           1HE      TYR  19  -0.322   0.208   6.962
  148    HH   TYR  19           HH       TYR  19   1.879  -0.406   7.046
  149    H    SER  20           H        SER  20  -5.997  -1.800   4.430
  150    HA   SER  20           HA       SER  20  -7.519  -2.815   2.144
  151    HB2  SER  20           1HB      SER  20  -8.450  -1.311   4.608
  152    HB3  SER  20           2HB      SER  20  -9.484  -2.151   3.434
  153    HG   SER  20           HG       SER  20  -8.993  -3.407   5.330
  154    H    ASP  21           H        ASP  21  -5.765  -0.088   2.330
  155    HA   ASP  21           HA       ASP  21  -7.405   1.346   0.340
  156    HB2  ASP  21           1HB      ASP  21  -8.162   2.412   2.348
  157    HB3  ASP  21           2HB      ASP  21  -6.530   2.470   3.021
  158    H    VAL  22           H        VAL  22  -6.203   2.337  -1.197
  159    HA   VAL  22           HA       VAL  22  -3.413   1.654  -1.392
  160    HB   VAL  22           HB       VAL  22  -5.059   1.817  -3.265
  161   HG11  VAL  22          1HG1      VAL  22  -6.024   4.063  -2.770
  162   HG12  VAL  22          2HG1      VAL  22  -4.482   4.798  -3.273
  163   HG13  VAL  22          3HG1      VAL  22  -5.450   3.877  -4.434
  164   HG21  VAL  22          3HG2      VAL  22  -2.458   3.321  -3.683
  165   HG22  VAL  22          1HG2      VAL  22  -2.646   1.554  -3.645
  166   HG23  VAL  22          2HG2      VAL  22  -3.422   2.499  -4.927
  167    H    LYS  23           H        LYS  23  -5.055   4.651  -0.394
  168    HA   LYS  23           HA       LYS  23  -2.699   6.264  -0.825
  169    HB2  LYS  23           1HB      LYS  23  -5.220   6.863   0.787
  170    HB3  LYS  23           2HB      LYS  23  -3.955   8.034   0.402
  171    HG2  LYS  23           1HG      LYS  23  -4.363   7.717  -2.018
  172    HG3  LYS  23           2HG      LYS  23  -5.645   6.541  -1.658
  173    HD2  LYS  23           1HD      LYS  23  -6.892   8.270  -0.401
  174    HD3  LYS  23           2HD      LYS  23  -5.661   9.473  -0.806
  175    HE2  LYS  23           1HE      LYS  23  -7.334   7.915  -2.837
  176    HE3  LYS  23           2HE      LYS  23  -7.742   9.524  -2.237
  177    HZ1  LYS  23           3HZ      LYS  23  -5.643  10.344  -3.168
  178    HZ2  LYS  23           1HZ      LYS  23  -6.567   9.679  -4.335
  179    HZ3  LYS  23           2HZ      LYS  23  -5.278   8.862  -3.760
  180    H    ASN  24           H        ASN  24  -4.098   4.660   2.004
  181    HA   ASN  24           HA       ASN  24  -2.091   5.413   3.927
  182    HB2  ASN  24           1HB      ASN  24  -4.047   3.098   3.674
  183    HB3  ASN  24           2HB      ASN  24  -2.835   3.122   4.952
  184   HD21  ASN  24          1HD2      ASN  24  -5.579   5.029   3.624
  185   HD22  ASN  24          2HD2      ASN  24  -5.908   5.823   5.168
  186    H    LEU  25           H        LEU  25  -2.171   2.683   1.567
  187    HA   LEU  25           HA       LEU  25   0.371   1.594   2.322
  188    HB2  LEU  25           1HB      LEU  25  -1.143   0.282   1.020
  189    HB3  LEU  25           2HB      LEU  25  -1.260   1.511  -0.232
  190    HG   LEU  25           HG       LEU  25   1.084   1.129  -0.893
  191   HD11  LEU  25          1HD1      LEU  25   2.350  -0.751  -0.065
  192   HD12  LEU  25          2HD1      LEU  25   1.059  -1.219   1.053
  193   HD13  LEU  25          3HD1      LEU  25   1.973   0.282   1.309
  194   HD21  LEU  25          3HD2      LEU  25   0.742  -1.065  -1.909
  195   HD22  LEU  25          1HD2      LEU  25  -0.742  -0.100  -1.976
  196   HD23  LEU  25          2HD2      LEU  25  -0.583  -1.400  -0.769
  197    H    ILE  26           H        ILE  26  -0.448   4.065  -0.195
  198    HA   ILE  26           HA       ILE  26   2.246   4.511  -1.032
  199    HB   ILE  26           HB       ILE  26  -0.238   6.246  -1.129
  200   HG12  ILE  26          1HG1      ILE  26   1.329   4.862  -3.360
  201   HG13  ILE  26          2HG1      ILE  26   0.009   4.074  -2.513
  202   HG21  ILE  26          1HG2      ILE  26   1.002   7.717  -2.732
  203   HG22  ILE  26          2HG2      ILE  26   1.665   7.806  -1.113
  204   HG23  ILE  26          3HG2      ILE  26   2.498   6.840  -2.354
  205   HD11  ILE  26          3HD1      ILE  26  -1.550   5.878  -3.237
  206   HD12  ILE  26          1HD1      ILE  26  -0.234   6.591  -4.205
  207   HD13  ILE  26          2HD1      ILE  26  -0.829   4.969  -4.581
  208    H    LYS  27           H        LYS  27   0.375   6.134   1.592
  209    HA   LYS  27           HA       LYS  27   2.531   7.837   2.418
  210    HB2  LYS  27           1HB      LYS  27   0.156   8.145   3.086
  211    HB3  LYS  27           2HB      LYS  27   0.237   6.676   4.077
  212    HG2  LYS  27           1HG      LYS  27   2.015   7.702   5.458
  213    HG3  LYS  27           2HG      LYS  27   1.966   9.167   4.457
  214    HD2  LYS  27           1HD      LYS  27  -0.404   9.515   5.147
  215    HD3  LYS  27           2HD      LYS  27  -0.314   8.082   6.182
  216    HE2  LYS  27           1HE      LYS  27   1.437  10.577   6.434
  217    HE3  LYS  27           2HE      LYS  27   0.003  10.245   7.409
  218    HZ1  LYS  27           3HZ      LYS  27   1.993   9.596   8.597
  219    HZ2  LYS  27           1HZ      LYS  27   2.500   8.607   7.405
  220    HZ3  LYS  27           2HZ      LYS  27   1.145   8.244   8.258
  221    H    HIS  28           H        HIS  28   1.691   4.492   3.525
  222    HA   HIS  28           HA       HIS  28   3.834   4.170   5.373
  223    HB2  HIS  28           1HB      HIS  28   2.215   2.455   5.345
  224    HB3  HIS  28           2HB      HIS  28   2.288   2.257   3.600
  225    HD1  HIS  28           1HD      HIS  28   4.510   1.479   6.670
  226    HD2  HIS  28           2HD      HIS  28   4.038   0.561   2.598
  227    HE1  HIS  28           1HE      HIS  28   6.203  -0.328   6.174
  228    H    ILE  29           H        ILE  29   3.808   3.582   1.824
  229    HA   ILE  29           HA       ILE  29   6.536   2.796   1.615
  230    HB   ILE  29           HB       ILE  29   4.599   4.006  -0.381
  231   HG12  ILE  29          1HG1      ILE  29   5.757   1.185  -0.235
  232   HG13  ILE  29          2HG1      ILE  29   4.260   1.634   0.566
  233   HG21  ILE  29          1HG2      ILE  29   6.221   3.327  -2.161
  234   HG22  ILE  29          2HG2      ILE  29   6.819   4.627  -1.154
  235   HG23  ILE  29          3HG2      ILE  29   7.415   2.964  -0.895
  236   HD11  ILE  29          3HD1      ILE  29   3.278   2.309  -1.628
  237   HD12  ILE  29          1HD1      ILE  29   4.744   1.705  -2.437
  238   HD13  ILE  29          2HD1      ILE  29   3.716   0.592  -1.532
  239    H    ARG  30           H        ARG  30   5.112   6.079   1.266
  240    HA   ARG  30           HA       ARG  30   7.608   7.483   0.898
  241    HB2  ARG  30           1HB      ARG  30   4.941   8.354   2.110
  242    HB3  ARG  30           2HB      ARG  30   6.211   9.465   1.640
  243    HG2  ARG  30           1HG      ARG  30   5.227   7.598  -0.519
  244    HG3  ARG  30           2HG      ARG  30   4.091   8.803   0.083
  245    HD2  ARG  30           1HD      ARG  30   5.189   9.740  -1.803
  246    HD3  ARG  30           2HD      ARG  30   5.720  10.592  -0.360
  247    HE   ARG  30           HE       ARG  30   7.901   9.731  -0.611
  248   HH11  ARG  30          2HH1      ARG  30   5.894   8.222  -3.087
  249   HH12  ARG  30          1HH1      ARG  30   7.300   7.702  -3.978
  250   HH21  ARG  30          2HH2      ARG  30   9.547   9.036  -1.745
  251   HH22  ARG  30          1HH2      ARG  30   9.340   8.147  -3.253
  252    H    ASP  31           H        ASP  31   5.943   6.540   3.898
  253    HA   ASP  31           HA       ASP  31   7.740   8.092   5.584
  254    HB2  ASP  31           1HB      ASP  31   5.635   5.974   6.154
  255    HB3  ASP  31           2HB      ASP  31   6.612   6.708   7.416
  256    H    MET  32           H        MET  32   7.668   4.656   4.599
  257    HA   MET  32           HA       MET  32  10.004   4.138   6.391
  258    HB2  MET  32           1HB      MET  32   7.999   2.192   5.201
  259    HB3  MET  32           2HB      MET  32   9.327   1.806   6.302
  260    HG2  MET  32           1HG      MET  32   8.267   3.551   7.905
  261    HG3  MET  32           2HG      MET  32   6.850   3.451   6.862
  262    HE1  MET  32           3HE      MET  32   8.431   0.130   9.683
  263    HE2  MET  32           1HE      MET  32   9.390   0.647   8.282
  264    HE3  MET  32           2HE      MET  32   9.044   1.795   9.596
  265    H    HIS  33           H        HIS  33   9.308   4.231   2.972
  266    HA   HIS  33           HA       HIS  33  11.918   2.851   2.408
  267    HB2  HIS  33           1HB      HIS  33   9.398   2.658   0.737
  268    HB3  HIS  33           2HB      HIS  33  10.888   1.746   0.542
  269    HD1  HIS  33           1HD      HIS  33  11.290   0.528   3.413
  270    HD2  HIS  33           2HD      HIS  33   7.600   0.974   1.470
  271    HE1  HIS  33           1HE      HIS  33   9.726  -1.144   4.510
  272    H    ASP  34           H        ASP  34   9.624   5.307   1.325
  273    HA   ASP  34           HA       ASP  34   9.691   6.999  -0.146
  274    HB2  ASP  34           1HB      ASP  34  10.773   7.778   1.921
  275    HB3  ASP  34           2HB      ASP  34  12.340   7.437   1.227
  276    HA   PRO  35           HA       PRO  35  12.496   5.028  -3.359
  277    HB2  PRO  35           1HB      PRO  35  10.674   3.905  -5.028
  278    HB3  PRO  35           2HB      PRO  35  11.153   3.125  -3.488
  279    HG2  PRO  35           1HG      PRO  35   8.733   4.905  -3.989
  280    HG3  PRO  35           2HG      PRO  35   8.762   3.273  -3.247
  281    HD2  PRO  35           1HD      PRO  35   8.789   5.538  -1.731
  282    HD3  PRO  35           2HD      PRO  35   9.722   4.083  -1.262
  283    H    GLN  36           H        GLN  36  12.844   5.654  -5.572
  284    HA   GLN  36           HA       GLN  36  11.159   7.746  -6.770
  285    HB2  GLN  36           1HB      GLN  36  12.806   8.938  -5.340
  286    HB3  GLN  36           2HB      GLN  36  14.129   8.141  -6.205
  287    HG2  GLN  36           1HG      GLN  36  13.414   9.248  -8.313
  288    HG3  GLN  36           2HG      GLN  36  12.054   9.992  -7.469
  289   HE21  GLN  36          1HE2      GLN  36  13.453  11.833  -8.690
  290   HE22  GLN  36          2HE2      GLN  36  14.581  12.646  -7.613
  291    H    ASP  37           H        ASP  37  11.078   7.569  -8.882
  292    HA   ASP  37           HA       ASP  37  11.104   6.636 -10.943
  293    HB2  ASP  37           1HB      ASP  37  12.907   8.266 -11.065
  294    HB3  ASP  37           2HB      ASP  37  14.085   7.043 -10.605
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1   1.457  10.078 -10.967
    2    H2   GLY   1           2H       GLY   1   2.727  10.505 -11.907
    3    H3   GLY   1           3H       GLY   1   2.673  10.981 -10.341
    4    HA2  GLY   1           1HA      GLY   1   4.238   9.170 -10.595
    5    HA3  GLY   1           2HA      GLY   1   2.870   8.723  -9.558
    6    H    SER   2           H        SER   2   4.645   6.981 -11.155
    7    HA   SER   2           HA       SER   2   3.137   6.021 -13.455
    8    HB2  SER   2           1HB      SER   2   4.930   4.305 -13.532
    9    HB3  SER   2           2HB      SER   2   5.538   5.970 -13.493
   10    HG   SER   2           HG       SER   2   6.667   4.587 -12.032
   11    H    SER   3           H        SER   3   3.166   5.183 -10.061
   12    HA   SER   3           HA       SER   3   1.909   2.544 -10.423
   13    HB2  SER   3           1HB      SER   3   2.383   4.213  -7.929
   14    HB3  SER   3           2HB      SER   3   1.745   2.559  -7.958
   15    HG   SER   3           HG       SER   3   4.208   3.258  -9.198
   16    H    GLY   4           H        GLY   4  -0.228   2.118 -10.507
   17    HA2  GLY   4           1HA      GLY   4  -2.352   3.434  -9.237
   18    HA3  GLY   4           2HA      GLY   4  -2.164   4.221 -10.805
   19    H    SER   5           H        SER   5  -4.479   3.203 -10.525
   20    HA   SER   5           HA       SER   5  -6.083   1.737 -11.083
   21    HB2  SER   5           1HB      SER   5  -6.123   1.058 -13.412
   22    HB3  SER   5           2HB      SER   5  -5.595   2.724 -13.185
   23    HG   SER   5           HG       SER   5  -3.918   0.478 -13.717
   24    H    SER   6           H        SER   6  -4.233   0.464  -9.345
   25    HA   SER   6           HA       SER   6  -3.757  -2.257 -10.089
   26    HB2  SER   6           1HB      SER   6  -4.013  -1.046  -7.310
   27    HB3  SER   6           2HB      SER   6  -3.229  -2.579  -7.726
   28    HG   SER   6           HG       SER   6  -1.704  -0.887  -7.515
   29    H    GLY   7           H        GLY   7  -4.653  -4.176  -9.165
   30    HA2  GLY   7           1HA      GLY   7  -7.571  -4.290  -8.812
   31    HA3  GLY   7           2HA      GLY   7  -6.423  -5.626  -8.735
   32    H    ILE   8           H        ILE   8  -7.486  -6.418  -6.838
   33    HA   ILE   8           HA       ILE   8  -7.768  -4.856  -4.434
   34    HB   ILE   8           HB       ILE   8  -8.434  -6.948  -3.369
   35   HG12  ILE   8          1HG1      ILE   8  -7.754  -8.341  -6.002
   36   HG13  ILE   8          2HG1      ILE   8  -6.796  -8.460  -4.525
   37   HG21  ILE   8          1HG2      ILE   8  -9.698  -6.684  -6.127
   38   HG22  ILE   8          2HG2      ILE   8 -10.453  -7.288  -4.640
   39   HG23  ILE   8          3HG2      ILE   8 -10.003  -5.588  -4.761
   40   HD11  ILE   8          3HD1      ILE   8  -8.184 -10.417  -4.707
   41   HD12  ILE   8          1HD1      ILE   8  -8.769  -9.442  -3.344
   42   HD13  ILE   8          2HD1      ILE   8  -9.652  -9.446  -4.893
   43    H    LYS   9           H        LYS   9  -4.915  -5.758  -5.672
   44    HA   LYS   9           HA       LYS   9  -3.584  -6.917  -3.343
   45    HB2  LYS   9           1HB      LYS   9  -2.542  -6.015  -6.057
   46    HB3  LYS   9           2HB      LYS   9  -1.566  -6.806  -4.812
   47    HG2  LYS   9           1HG      LYS   9  -3.066  -8.779  -4.865
   48    HG3  LYS   9           2HG      LYS   9  -4.007  -8.028  -6.170
   49    HD2  LYS   9           1HD      LYS   9  -1.972  -7.935  -7.587
   50    HD3  LYS   9           2HD      LYS   9  -1.030  -8.719  -6.313
   51    HE2  LYS   9           1HE      LYS   9  -3.474  -9.941  -7.682
   52    HE3  LYS   9           2HE      LYS   9  -1.806 -10.233  -8.178
   53    HZ1  LYS   9           3HZ      LYS   9  -2.934 -10.948  -5.523
   54    HZ2  LYS   9           1HZ      LYS   9  -1.377 -11.177  -5.970
   55    HZ3  LYS   9           2HZ      LYS   9  -2.572 -11.992  -6.720
   56    H    GLN  10           H        GLN  10  -4.496  -4.872  -2.160
   57    HA   GLN  10           HA       GLN  10  -2.590  -2.620  -2.107
   58    HB2  GLN  10           1HB      GLN  10  -5.041  -3.306  -0.467
   59    HB3  GLN  10           2HB      GLN  10  -3.916  -2.030   0.008
   60    HG2  GLN  10           1HG      GLN  10  -5.747  -1.028  -1.163
   61    HG3  GLN  10           2HG      GLN  10  -4.266  -0.832  -2.087
   62   HE21  GLN  10          1HE2      GLN  10  -4.257  -1.593  -4.255
   63   HE22  GLN  10          2HE2      GLN  10  -5.595  -2.526  -4.926
   64    H    HIS  11           H        HIS  11  -0.756  -4.119  -1.954
   65    HA   HIS  11           HA       HIS  11   0.039  -4.299   0.881
   66    HB2  HIS  11           1HB      HIS  11   1.087  -6.439   0.662
   67    HB3  HIS  11           2HB      HIS  11  -0.606  -6.595   0.221
   68    HD1  HIS  11           1HD      HIS  11   2.868  -6.393  -1.543
   69    HD2  HIS  11           2HD      HIS  11  -1.107  -7.676  -2.127
   70    HE1  HIS  11           1HE      HIS  11   2.846  -7.693  -3.733
   71    H    CYS  12           H        CYS  12   2.234  -4.142   1.287
   72    HA   CYS  12           HA       CYS  12   3.726  -2.302  -0.280
   73    HB2  CYS  12           1HB      CYS  12   3.811  -2.647   2.167
   74    HB3  CYS  12           2HB      CYS  12   4.590  -4.216   1.908
   75    H    ARG  13           H        ARG  13   5.573  -2.526  -1.411
   76    HA   ARG  13           HA       ARG  13   6.203  -5.179  -2.655
   77    HB2  ARG  13           1HB      ARG  13   6.856  -4.028  -4.686
   78    HB3  ARG  13           2HB      ARG  13   5.182  -3.704  -4.254
   79    HG2  ARG  13           1HG      ARG  13   5.898  -1.474  -3.306
   80    HG3  ARG  13           2HG      ARG  13   7.542  -1.800  -3.901
   81    HD2  ARG  13           1HD      ARG  13   6.711  -1.932  -6.205
   82    HD3  ARG  13           2HD      ARG  13   5.037  -1.795  -5.632
   83    HE   ARG  13           HE       ARG  13   6.805   0.446  -4.907
   84   HH11  ARG  13          2HH1      ARG  13   4.508  -0.676  -7.339
   85   HH12  ARG  13          1HH1      ARG  13   4.161   0.974  -7.841
   86   HH21  ARG  13          2HH2      ARG  13   6.240   2.506  -5.669
   87   HH22  ARG  13          1HH2      ARG  13   5.057   2.621  -6.956
   88    H    PHE  14           H        PHE  14   7.320  -3.295  -0.333
   89    HA   PHE  14           HA       PHE  14  10.202  -3.954  -0.864
   90    HB2  PHE  14           1HB      PHE  14   9.086  -1.762   0.891
   91    HB3  PHE  14           2HB      PHE  14  10.770  -2.039   0.496
   92    HD1  PHE  14           2HD      PHE  14  11.588  -1.597  -1.867
   93    HD2  PHE  14           1HD      PHE  14   7.633  -0.495  -0.548
   94    HE1  PHE  14           2HE      PHE  14  11.395  -0.005  -3.765
   95    HE2  PHE  14           1HE      PHE  14   7.452   1.110  -2.434
   96    HZ   PHE  14           HZ       PHE  14   9.335   1.359  -4.044
   97    H    CYS  15           H        CYS  15   7.575  -4.034   1.544
   98    HA   CYS  15           HA       CYS  15   9.102  -6.061   3.072
   99    HB2  CYS  15           1HB      CYS  15   8.744  -5.055   5.153
  100    HB3  CYS  15           2HB      CYS  15   9.453  -3.843   4.105
  101    H    LYS  16           H        LYS  16   6.542  -5.792   1.299
  102    HA   LYS  16           HA       LYS  16   4.650  -6.943   0.920
  103    HB2  LYS  16           1HB      LYS  16   6.052  -9.027   2.606
  104    HB3  LYS  16           2HB      LYS  16   4.757  -9.326   1.438
  105    HG2  LYS  16           1HG      LYS  16   6.187  -8.344  -0.371
  106    HG3  LYS  16           2HG      LYS  16   7.526  -8.229   0.779
  107    HD2  LYS  16           1HD      LYS  16   6.115 -10.801  -0.046
  108    HD3  LYS  16           2HD      LYS  16   7.668 -10.223  -0.668
  109    HE2  LYS  16           1HE      LYS  16   8.621 -10.310   1.634
  110    HE3  LYS  16           2HE      LYS  16   7.083 -10.939   2.241
  111    HZ1  LYS  16           3HZ      LYS  16   8.650 -12.735   1.794
  112    HZ2  LYS  16           1HZ      LYS  16   8.799 -12.297   0.230
  113    HZ3  LYS  16           2HZ      LYS  16   7.375 -12.876   0.787
  114    H    LYS  17           H        LYS  17   4.577  -5.481   3.732
  115    HA   LYS  17           HA       LYS  17   2.425  -6.828   5.118
  116    HB2  LYS  17           1HB      LYS  17   3.296  -3.914   5.185
  117    HB3  LYS  17           2HB      LYS  17   2.142  -4.674   6.298
  118    HG2  LYS  17           1HG      LYS  17   3.856  -6.152   7.192
  119    HG3  LYS  17           2HG      LYS  17   5.005  -5.651   5.944
  120    HD2  LYS  17           1HD      LYS  17   4.886  -3.294   6.864
  121    HD3  LYS  17           2HD      LYS  17   3.909  -3.922   8.195
  122    HE2  LYS  17           1HE      LYS  17   6.244  -3.704   8.871
  123    HE3  LYS  17           2HE      LYS  17   5.765  -5.403   8.883
  124    HZ1  LYS  17           3HZ      LYS  17   6.926  -5.730   6.816
  125    HZ2  LYS  17           1HZ      LYS  17   7.968  -4.948   7.806
  126    HZ3  LYS  17           2HZ      LYS  17   7.195  -4.147   6.589
  127    H    LYS  18           H        LYS  18   0.261  -6.322   5.259
  128    HA   LYS  18           HA       LYS  18  -1.017  -5.363   2.754
  129    HB2  LYS  18           1HB      LYS  18  -1.992  -6.880   5.192
  130    HB3  LYS  18           2HB      LYS  18  -3.066  -6.347   3.884
  131    HG2  LYS  18           1HG      LYS  18  -1.741  -7.656   2.243
  132    HG3  LYS  18           2HG      LYS  18  -0.685  -8.229   3.548
  133    HD2  LYS  18           1HD      LYS  18  -2.632  -9.290   4.664
  134    HD3  LYS  18           2HD      LYS  18  -3.690  -8.724   3.351
  135    HE2  LYS  18           1HE      LYS  18  -2.341 -10.018   1.712
  136    HE3  LYS  18           2HE      LYS  18  -1.283 -10.577   3.015
  137    HZ1  LYS  18           3HZ      LYS  18  -4.191 -11.169   2.812
  138    HZ2  LYS  18           1HZ      LYS  18  -3.213 -11.685   4.015
  139    HZ3  LYS  18           2HZ      LYS  18  -2.989 -12.225   2.493
  140    H    TYR  19           H        TYR  19  -2.564  -3.819   2.620
  141    HA   TYR  19           HA       TYR  19  -3.262  -2.157   4.985
  142    HB2  TYR  19           1HB      TYR  19  -1.987  -1.225   2.405
  143    HB3  TYR  19           2HB      TYR  19  -3.107  -0.177   3.257
  144    HD1  TYR  19           1HD      TYR  19  -2.630   0.754   5.451
  145    HD2  TYR  19           2HD      TYR  19   0.225  -1.793   3.450
  146    HE1  TYR  19           1HE      TYR  19  -0.896   1.395   7.114
  147    HE2  TYR  19           2HE      TYR  19   1.953  -1.161   5.128
  148    HH   TYR  19           HH       TYR  19   1.232   1.073   7.851
  149    H    SER  20           H        SER  20  -5.249  -1.061   4.844
  150    HA   SER  20           HA       SER  20  -7.270  -2.489   3.313
  151    HB2  SER  20           1HB      SER  20  -7.567  -0.104   5.170
  152    HB3  SER  20           2HB      SER  20  -8.859  -1.182   4.611
  153    HG   SER  20           HG       SER  20  -8.100  -1.759   6.701
  154    H    ASP  21           H        ASP  21  -5.435   0.275   2.545
  155    HA   ASP  21           HA       ASP  21  -7.264   1.136   0.391
  156    HB2  ASP  21           1HB      ASP  21  -8.086   2.405   2.291
  157    HB3  ASP  21           2HB      ASP  21  -6.449   2.860   2.762
  158    H    VAL  22           H        VAL  22  -6.235   2.221  -1.289
  159    HA   VAL  22           HA       VAL  22  -3.437   1.683  -1.601
  160    HB   VAL  22           HB       VAL  22  -5.096   1.669  -3.401
  161   HG11  VAL  22          1HG1      VAL  22  -4.904   4.695  -3.467
  162   HG12  VAL  22          2HG1      VAL  22  -5.753   3.648  -4.615
  163   HG13  VAL  22          3HG1      VAL  22  -6.331   3.757  -2.949
  164   HG21  VAL  22          3HG2      VAL  22  -2.745   3.478  -4.020
  165   HG22  VAL  22          1HG2      VAL  22  -2.673   1.708  -3.877
  166   HG23  VAL  22          2HG2      VAL  22  -3.639   2.454  -5.159
  167    H    LYS  23           H        LYS  23  -5.099   4.656  -0.544
  168    HA   LYS  23           HA       LYS  23  -2.733   6.253  -1.136
  169    HB2  LYS  23           1HB      LYS  23  -5.137   7.073   0.558
  170    HB3  LYS  23           2HB      LYS  23  -3.853   8.107  -0.030
  171    HG2  LYS  23           1HG      LYS  23  -5.407   8.606  -1.609
  172    HG3  LYS  23           2HG      LYS  23  -4.593   7.280  -2.426
  173    HD2  LYS  23           1HD      LYS  23  -6.961   6.991  -2.710
  174    HD3  LYS  23           2HD      LYS  23  -6.434   5.741  -1.583
  175    HE2  LYS  23           1HE      LYS  23  -7.167   7.242   0.321
  176    HE3  LYS  23           2HE      LYS  23  -7.817   8.368  -0.883
  177    HZ1  LYS  23           3HZ      LYS  23  -8.647   5.543  -0.465
  178    HZ2  LYS  23           1HZ      LYS  23  -9.255   6.509  -1.653
  179    HZ3  LYS  23           2HZ      LYS  23  -9.533   6.861  -0.079
  180    H    ASN  24           H        ASN  24  -4.223   4.714   1.684
  181    HA   ASN  24           HA       ASN  24  -2.227   5.458   3.624
  182    HB2  ASN  24           1HB      ASN  24  -4.082   3.048   3.419
  183    HB3  ASN  24           2HB      ASN  24  -3.038   3.363   4.801
  184   HD21  ASN  24          1HD2      ASN  24  -5.653   3.145   5.370
  185   HD22  ASN  24          2HD2      ASN  24  -6.314   4.734   5.723
  186    H    LEU  25           H        LEU  25  -2.326   2.706   1.299
  187    HA   LEU  25           HA       LEU  25   0.184   1.580   2.056
  188    HB2  LEU  25           1HB      LEU  25  -1.457   0.403   0.682
  189    HB3  LEU  25           2HB      LEU  25  -1.316   1.614  -0.587
  190    HG   LEU  25           HG       LEU  25   1.043   0.953  -0.993
  191   HD11  LEU  25          1HD1      LEU  25   1.898  -1.121  -0.032
  192   HD12  LEU  25          2HD1      LEU  25   0.459  -1.285   0.998
  193   HD13  LEU  25          3HD1      LEU  25   1.616   0.046   1.250
  194   HD21  LEU  25          3HD2      LEU  25   0.527  -1.182  -2.058
  195   HD22  LEU  25          1HD2      LEU  25  -0.800  -0.034  -2.283
  196   HD23  LEU  25          2HD2      LEU  25  -0.950  -1.330  -1.074
  197    H    ILE  26           H        ILE  26  -0.553   4.152  -0.376
  198    HA   ILE  26           HA       ILE  26   2.180   4.574  -1.153
  199    HB   ILE  26           HB       ILE  26  -0.285   6.329  -1.253
  200   HG12  ILE  26          1HG1      ILE  26   1.363   5.054  -3.490
  201   HG13  ILE  26          2HG1      ILE  26   0.023   4.220  -2.723
  202   HG21  ILE  26          1HG2      ILE  26   1.011   7.874  -2.733
  203   HG22  ILE  26          2HG2      ILE  26   1.613   7.883  -1.086
  204   HG23  ILE  26          3HG2      ILE  26   2.495   6.981  -2.340
  205   HD11  ILE  26          3HD1      ILE  26  -0.765   5.198  -4.765
  206   HD12  ILE  26          1HD1      ILE  26  -1.523   6.053  -3.408
  207   HD13  ILE  26          2HD1      ILE  26  -0.182   6.805  -4.308
  208    H    LYS  27           H        LYS  27   0.259   6.104   1.491
  209    HA   LYS  27           HA       LYS  27   2.418   7.724   2.471
  210    HB2  LYS  27           1HB      LYS  27  -0.069   6.583   3.808
  211    HB3  LYS  27           2HB      LYS  27   1.054   7.665   4.639
  212    HG2  LYS  27           1HG      LYS  27   0.673   9.444   3.047
  213    HG3  LYS  27           2HG      LYS  27  -0.324   8.404   2.022
  214    HD2  LYS  27           1HD      LYS  27  -1.960   8.137   3.876
  215    HD3  LYS  27           2HD      LYS  27  -1.006   9.231   4.884
  216    HE2  LYS  27           1HE      LYS  27  -2.244   9.958   2.185
  217    HE3  LYS  27           2HE      LYS  27  -3.008  10.267   3.746
  218    HZ1  LYS  27           3HZ      LYS  27  -0.419  11.431   2.870
  219    HZ2  LYS  27           1HZ      LYS  27  -1.111  11.683   4.332
  220    HZ3  LYS  27           2HZ      LYS  27  -1.836  12.228   2.978
  221    H    HIS  28           H        HIS  28   1.634   4.299   3.204
  222    HA   HIS  28           HA       HIS  28   3.695   3.905   5.159
  223    HB2  HIS  28           1HB      HIS  28   2.043   2.221   4.868
  224    HB3  HIS  28           2HB      HIS  28   2.364   2.052   3.157
  225    HD1  HIS  28           1HD      HIS  28   3.659   0.832   6.487
  226    HD2  HIS  28           2HD      HIS  28   4.497   0.599   2.383
  227    HE1  HIS  28           1HE      HIS  28   5.405  -0.993   6.250
  228    H    ILE  29           H        ILE  29   3.836   3.729   1.561
  229    HA   ILE  29           HA       ILE  29   6.652   3.119   1.450
  230    HB   ILE  29           HB       ILE  29   4.766   4.335  -0.585
  231   HG12  ILE  29          1HG1      ILE  29   5.945   1.526  -0.473
  232   HG13  ILE  29          2HG1      ILE  29   4.392   1.927   0.240
  233   HG21  ILE  29          1HG2      ILE  29   7.085   5.009  -1.153
  234   HG22  ILE  29          2HG2      ILE  29   7.606   3.317  -1.030
  235   HG23  ILE  29          3HG2      ILE  29   6.476   3.827  -2.297
  236   HD11  ILE  29          3HD1      ILE  29   3.541   2.672  -1.980
  237   HD12  ILE  29          1HD1      ILE  29   5.062   2.111  -2.717
  238   HD13  ILE  29          2HD1      ILE  29   3.989   0.959  -1.910
  239    H    ARG  30           H        ARG  30   4.919   6.274   1.416
  240    HA   ARG  30           HA       ARG  30   7.253   7.946   1.270
  241    HB2  ARG  30           1HB      ARG  30   4.576   8.441   2.655
  242    HB3  ARG  30           2HB      ARG  30   5.796   9.662   2.406
  243    HG2  ARG  30           1HG      ARG  30   4.215   8.241   0.233
  244    HG3  ARG  30           2HG      ARG  30   4.032   9.903   0.767
  245    HD2  ARG  30           1HD      ARG  30   6.424   8.698  -0.668
  246    HD3  ARG  30           2HD      ARG  30   5.206   9.788  -1.348
  247    HE   ARG  30           HE       ARG  30   6.359  11.089   0.898
  248   HH11  ARG  30          2HH1      ARG  30   7.391  10.228  -2.379
  249   HH12  ARG  30          1HH1      ARG  30   8.585  11.535  -2.347
  250   HH21  ARG  30          2HH2      ARG  30   8.017  12.625   0.749
  251   HH22  ARG  30          1HH2      ARG  30   8.910  12.714  -0.761
  252    H    ASP  31           H        ASP  31   5.819   6.348   4.086
  253    HA   ASP  31           HA       ASP  31   7.558   7.793   5.942
  254    HB2  ASP  31           1HB      ASP  31   5.187   7.175   6.398
  255    HB3  ASP  31           2HB      ASP  31   5.659   5.475   6.425
  256    H    MET  32           H        MET  32   7.509   4.504   4.572
  257    HA   MET  32           HA       MET  32   9.846   3.723   6.259
  258    HB2  MET  32           1HB      MET  32   7.772   2.077   4.769
  259    HB3  MET  32           2HB      MET  32   9.104   1.410   5.698
  260    HG2  MET  32           1HG      MET  32   6.880   3.149   6.822
  261    HG3  MET  32           2HG      MET  32   6.963   1.400   6.932
  262    HE1  MET  32           3HE      MET  32  10.026   0.750   7.699
  263    HE2  MET  32           1HE      MET  32   9.851   0.735   9.464
  264    HE3  MET  32           2HE      MET  32   8.577   0.031   8.445
  265    H    HIS  33           H        HIS  33   9.065   4.194   2.842
  266    HA   HIS  33           HA       HIS  33  11.626   2.854   2.070
  267    HB2  HIS  33           1HB      HIS  33   8.994   2.524   0.615
  268    HB3  HIS  33           2HB      HIS  33  10.497   1.658   0.321
  269    HD1  HIS  33           1HD      HIS  33  11.218   0.337   2.970
  270    HD2  HIS  33           2HD      HIS  33   7.269   0.986   1.694
  271    HE1  HIS  33           1HE      HIS  33   9.800  -1.335   4.251
  272    H    ASP  34           H        ASP  34  10.751   5.815   2.184
  273    HA   ASP  34           HA       ASP  34  10.359   6.684  -0.474
  274    HB2  ASP  34           1HB      ASP  34  10.569   8.886   0.323
  275    HB3  ASP  34           2HB      ASP  34   9.803   7.957   1.598
  276    HA   PRO  35           HA       PRO  35  14.494   6.659  -2.139
  277    HB2  PRO  35           1HB      PRO  35  14.205   8.117  -4.408
  278    HB3  PRO  35           2HB      PRO  35  13.309   6.598  -4.136
  279    HG2  PRO  35           1HG      PRO  35  12.318   9.426  -3.601
  280    HG3  PRO  35           2HG      PRO  35  11.528   8.154  -4.590
  281    HD2  PRO  35           1HD      PRO  35  10.861   8.533  -1.976
  282    HD3  PRO  35           2HD      PRO  35  10.945   6.898  -2.687
  283    H    GLN  36           H        GLN  36  14.639   8.085   0.070
  284    HA   GLN  36           HA       GLN  36  15.366   9.842   1.251
  285    HB2  GLN  36           1HB      GLN  36  17.610  10.633   0.803
  286    HB3  GLN  36           2HB      GLN  36  17.448   8.884   0.743
  287    HG2  GLN  36           1HG      GLN  36  17.582   8.891  -1.699
  288    HG3  GLN  36           2HG      GLN  36  17.608  10.656  -1.731
  289   HE21  GLN  36          1HE2      GLN  36  19.633   9.832  -3.080
  290   HE22  GLN  36          2HE2      GLN  36  21.121   9.765  -2.143
  291    H    ASP  37           H        ASP  37  13.272  10.717   0.305
  292    HA   ASP  37           HA       ASP  37  13.667  13.327  -1.129
  293    HB2  ASP  37           1HB      ASP  37  12.686  11.696  -2.587
  294    HB3  ASP  37           2HB      ASP  37  11.491  11.236  -1.378
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1 -11.807   0.080   1.970
    2    H2   GLY   1           2H       GLY   1 -11.059  -0.571   0.662
    3    H3   GLY   1           3H       GLY   1 -10.168  -0.049   1.936
    4    HA2  GLY   1           1HA      GLY   1 -11.101  -1.739   3.367
    5    HA3  GLY   1           2HA      GLY   1 -12.051  -2.320   1.983
    6    H    SER   2           H        SER   2  -9.882  -3.610   3.661
    7    HA   SER   2           HA       SER   2  -7.473  -3.863   2.193
    8    HB2  SER   2           1HB      SER   2  -8.736  -5.895   4.068
    9    HB3  SER   2           2HB      SER   2  -7.022  -5.778   3.622
   10    HG   SER   2           HG       SER   2  -7.514  -4.786   5.659
   11    H    SER   3           H        SER   3  -6.648  -5.408   0.820
   12    HA   SER   3           HA       SER   3  -8.498  -6.646  -1.045
   13    HB2  SER   3           1HB      SER   3  -5.469  -6.736  -0.840
   14    HB3  SER   3           2HB      SER   3  -6.422  -7.346  -2.208
   15    HG   SER   3           HG       SER   3  -7.138  -5.295  -2.641
   16    H    GLY   4           H        GLY   4  -8.281  -8.861  -1.835
   17    HA2  GLY   4           1HA      GLY   4  -6.914 -10.963  -0.625
   18    HA3  GLY   4           2HA      GLY   4  -8.463 -10.896   0.220
   19    H    SER   5           H        SER   5  -9.785  -9.980  -2.413
   20    HA   SER   5           HA       SER   5 -10.525 -12.629  -3.298
   21    HB2  SER   5           1HB      SER   5 -12.288 -11.399  -4.546
   22    HB3  SER   5           2HB      SER   5 -12.218 -11.035  -2.820
   23    HG   SER   5           HG       SER   5 -11.296  -9.431  -4.979
   24    H    SER   6           H        SER   6  -7.900 -12.267  -4.067
   25    HA   SER   6           HA       SER   6  -6.409 -12.459  -5.761
   26    HB2  SER   6           1HB      SER   6  -8.795 -13.393  -7.383
   27    HB3  SER   6           2HB      SER   6  -7.092 -13.678  -7.765
   28    HG   SER   6           HG       SER   6  -8.046 -15.452  -6.660
   29    H    GLY   7           H        GLY   7  -6.004 -12.003  -8.286
   30    HA2  GLY   7           1HA      GLY   7  -5.676 -10.386  -9.927
   31    HA3  GLY   7           2HA      GLY   7  -7.033  -9.466  -9.282
   32    H    ILE   8           H        ILE   8  -5.855  -7.501  -9.512
   33    HA   ILE   8           HA       ILE   8  -3.358  -6.987  -8.152
   34    HB   ILE   8           HB       ILE   8  -3.851  -4.605  -8.487
   35   HG12  ILE   8          1HG1      ILE   8  -6.448  -5.508  -9.818
   36   HG13  ILE   8          2HG1      ILE   8  -6.331  -4.661  -8.272
   37   HG21  ILE   8          1HG2      ILE   8  -4.294  -6.272 -11.001
   38   HG22  ILE   8          2HG2      ILE   8  -3.549  -4.664 -10.892
   39   HG23  ILE   8          3HG2      ILE   8  -2.729  -6.055 -10.189
   40   HD11  ILE   8          3HD1      ILE   8  -6.915  -3.065  -9.962
   41   HD12  ILE   8          1HD1      ILE   8  -5.255  -2.724  -9.432
   42   HD13  ILE   8          2HD1      ILE   8  -5.554  -3.541 -10.988
   43    H    LYS   9           H        LYS   9  -2.901  -6.129  -6.174
   44    HA   LYS   9           HA       LYS   9  -5.059  -5.767  -4.189
   45    HB2  LYS   9           1HB      LYS   9  -4.101  -7.567  -2.730
   46    HB3  LYS   9           2HB      LYS   9  -4.924  -8.110  -4.189
   47    HG2  LYS   9           1HG      LYS   9  -2.642  -8.428  -5.269
   48    HG3  LYS   9           2HG      LYS   9  -1.922  -8.053  -3.689
   49    HD2  LYS   9           1HD      LYS   9  -3.153  -9.974  -2.688
   50    HD3  LYS   9           2HD      LYS   9  -3.969 -10.261  -4.225
   51    HE2  LYS   9           1HE      LYS   9  -2.237 -11.888  -3.992
   52    HE3  LYS   9           2HE      LYS   9  -1.815 -10.795  -5.313
   53    HZ1  LYS   9           3HZ      LYS   9   0.052 -11.298  -3.763
   54    HZ2  LYS   9           1HZ      LYS   9  -0.748 -10.539  -2.546
   55    HZ3  LYS   9           2HZ      LYS   9  -0.250  -9.696  -3.859
   56    H    GLN  10           H        GLN  10  -4.542  -4.918  -2.264
   57    HA   GLN  10           HA       GLN  10  -2.413  -2.942  -2.345
   58    HB2  GLN  10           1HB      GLN  10  -4.598  -3.608  -0.345
   59    HB3  GLN  10           2HB      GLN  10  -3.519  -2.222  -0.182
   60    HG2  GLN  10           1HG      GLN  10  -4.413  -1.106  -2.053
   61    HG3  GLN  10           2HG      GLN  10  -5.146  -2.556  -2.724
   62   HE21  GLN  10          1HE2      GLN  10  -6.860  -3.639  -1.161
   63   HE22  GLN  10          2HE2      GLN  10  -7.969  -2.489  -0.405
   64    H    HIS  11           H        HIS  11  -0.466  -4.093  -2.185
   65    HA   HIS  11           HA       HIS  11   0.259  -4.952   0.576
   66    HB2  HIS  11           1HB      HIS  11   1.166  -6.269  -2.011
   67    HB3  HIS  11           2HB      HIS  11   1.849  -6.581  -0.424
   68    HD1  HIS  11           1HD      HIS  11  -1.865  -6.559  -0.081
   69    HD2  HIS  11           2HD      HIS  11   1.216  -9.159  -1.263
   70    HE1  HIS  11           1HE      HIS  11  -2.885  -8.907  -0.133
   71    H    CYS  12           H        CYS  12   2.308  -4.314   1.254
   72    HA   CYS  12           HA       CYS  12   3.682  -2.159  -0.040
   73    HB2  CYS  12           1HB      CYS  12   3.724  -2.566   2.362
   74    HB3  CYS  12           2HB      CYS  12   4.596  -4.093   2.104
   75    H    ARG  13           H        ARG  13   5.302  -2.066  -1.398
   76    HA   ARG  13           HA       ARG  13   6.119  -4.361  -3.016
   77    HB2  ARG  13           1HB      ARG  13   5.701  -2.076  -3.903
   78    HB3  ARG  13           2HB      ARG  13   7.061  -1.459  -2.966
   79    HG2  ARG  13           1HG      ARG  13   8.611  -2.902  -4.281
   80    HG3  ARG  13           2HG      ARG  13   7.227  -3.533  -5.200
   81    HD2  ARG  13           1HD      ARG  13   6.732  -1.218  -5.977
   82    HD3  ARG  13           2HD      ARG  13   8.128  -0.611  -5.088
   83    HE   ARG  13           HE       ARG  13   8.104  -2.034  -7.640
   84   HH11  ARG  13          2HH1      ARG  13  10.211  -1.275  -4.936
   85   HH12  ARG  13          1HH1      ARG  13  11.651  -1.515  -5.888
   86   HH21  ARG  13          2HH2      ARG  13   9.980  -2.323  -8.776
   87   HH22  ARG  13          1HH2      ARG  13  11.518  -2.089  -7.999
   88    H    PHE  14           H        PHE  14   7.362  -2.847  -0.160
   89    HA   PHE  14           HA       PHE  14  10.099  -3.983  -0.606
   90    HB2  PHE  14           1HB      PHE  14   9.190  -1.671   1.112
   91    HB3  PHE  14           2HB      PHE  14  10.850  -2.193   0.885
   92    HD1  PHE  14           2HD      PHE  14  12.022  -1.813  -1.274
   93    HD2  PHE  14           1HD      PHE  14   8.015  -0.369  -0.599
   94    HE1  PHE  14           2HE      PHE  14  12.247  -0.277  -3.212
   95    HE2  PHE  14           1HE      PHE  14   8.234   1.146  -2.557
   96    HZ   PHE  14           HZ       PHE  14  10.353   1.207  -3.856
   97    H    CYS  15           H        CYS  15   7.445  -3.960   1.758
   98    HA   CYS  15           HA       CYS  15   8.913  -6.048   3.274
   99    HB2  CYS  15           1HB      CYS  15   8.466  -5.118   5.375
  100    HB3  CYS  15           2HB      CYS  15   9.250  -3.898   4.393
  101    H    LYS  16           H        LYS  16   6.464  -5.807   1.387
  102    HA   LYS  16           HA       LYS  16   4.645  -7.025   0.887
  103    HB2  LYS  16           1HB      LYS  16   6.002  -9.063   2.669
  104    HB3  LYS  16           2HB      LYS  16   4.783  -9.408   1.439
  105    HG2  LYS  16           1HG      LYS  16   6.276  -8.486  -0.320
  106    HG3  LYS  16           2HG      LYS  16   7.534  -8.205   0.901
  107    HD2  LYS  16           1HD      LYS  16   7.574 -10.622   1.430
  108    HD3  LYS  16           2HD      LYS  16   6.328 -10.913   0.195
  109    HE2  LYS  16           1HE      LYS  16   7.845  -9.993  -1.546
  110    HE3  LYS  16           2HE      LYS  16   9.083  -9.697  -0.317
  111    HZ1  LYS  16           3HZ      LYS  16   9.474 -11.792  -1.483
  112    HZ2  LYS  16           1HZ      LYS  16   8.015 -12.376  -1.047
  113    HZ3  LYS  16           2HZ      LYS  16   9.160 -12.102   0.087
  114    H    LYS  17           H        LYS  17   4.416  -5.615   3.741
  115    HA   LYS  17           HA       LYS  17   2.262  -6.988   5.051
  116    HB2  LYS  17           1HB      LYS  17   3.000  -4.031   5.025
  117    HB3  LYS  17           2HB      LYS  17   1.825  -4.777   6.123
  118    HG2  LYS  17           1HG      LYS  17   3.552  -6.161   7.146
  119    HG3  LYS  17           2HG      LYS  17   4.741  -5.635   5.945
  120    HD2  LYS  17           1HD      LYS  17   4.500  -3.276   6.779
  121    HD3  LYS  17           2HD      LYS  17   3.409  -3.866   8.036
  122    HE2  LYS  17           1HE      LYS  17   5.668  -3.555   8.918
  123    HE3  LYS  17           2HE      LYS  17   5.201  -5.257   8.993
  124    HZ1  LYS  17           3HZ      LYS  17   7.498  -4.837   8.116
  125    HZ2  LYS  17           1HZ      LYS  17   6.842  -4.130   6.777
  126    HZ3  LYS  17           2HZ      LYS  17   6.568  -5.701   7.082
  127    H    LYS  18           H        LYS  18   0.080  -6.815   4.935
  128    HA   LYS  18           HA       LYS  18  -1.212  -5.825   2.494
  129    HB2  LYS  18           1HB      LYS  18  -2.331  -6.936   5.101
  130    HB3  LYS  18           2HB      LYS  18  -3.295  -6.519   3.677
  131    HG2  LYS  18           1HG      LYS  18  -1.898  -8.190   2.353
  132    HG3  LYS  18           2HG      LYS  18  -1.150  -8.680   3.872
  133    HD2  LYS  18           1HD      LYS  18  -2.891 -10.251   3.359
  134    HD3  LYS  18           2HD      LYS  18  -3.420  -9.297   4.756
  135    HE2  LYS  18           1HE      LYS  18  -4.814  -7.879   3.257
  136    HE3  LYS  18           2HE      LYS  18  -4.234  -8.783   1.854
  137    HZ1  LYS  18           3HZ      LYS  18  -6.382  -9.574   2.541
  138    HZ2  LYS  18           1HZ      LYS  18  -5.872  -9.902   4.067
  139    HZ3  LYS  18           2HZ      LYS  18  -5.299 -10.773   2.804
  140    H    TYR  19           H        TYR  19  -2.655  -4.117   2.299
  141    HA   TYR  19           HA       TYR  19  -2.929  -2.250   4.604
  142    HB2  TYR  19           1HB      TYR  19  -1.631  -1.698   1.981
  143    HB3  TYR  19           2HB      TYR  19  -2.742  -0.469   2.574
  144    HD1  TYR  19           1HD      TYR  19  -2.398   0.714   4.657
  145    HD2  TYR  19           2HD      TYR  19   0.465  -2.207   3.287
  146    HE1  TYR  19           1HE      TYR  19  -0.835   1.414   6.457
  147    HE2  TYR  19           2HE      TYR  19   2.035  -1.502   5.098
  148    HH   TYR  19           HH       TYR  19   1.129   0.982   7.526
  149    H    SER  20           H        SER  20  -4.616  -0.821   4.632
  150    HA   SER  20           HA       SER  20  -7.089  -2.060   3.739
  151    HB2  SER  20           1HB      SER  20  -8.073  -0.436   5.359
  152    HB3  SER  20           2HB      SER  20  -6.812  -1.470   6.049
  153    HG   SER  20           HG       SER  20  -6.581   0.754   6.628
  154    H    ASP  21           H        ASP  21  -5.285   0.698   2.685
  155    HA   ASP  21           HA       ASP  21  -7.302   1.310   0.657
  156    HB2  ASP  21           1HB      ASP  21  -7.918   2.748   2.645
  157    HB3  ASP  21           2HB      ASP  21  -6.337   3.519   2.515
  158    H    VAL  22           H        VAL  22  -6.337   2.275  -1.204
  159    HA   VAL  22           HA       VAL  22  -3.592   1.787  -1.644
  160    HB   VAL  22           HB       VAL  22  -5.356   1.988  -3.364
  161   HG11  VAL  22          1HG1      VAL  22  -6.377   4.162  -2.694
  162   HG12  VAL  22          2HG1      VAL  22  -4.924   4.987  -3.311
  163   HG13  VAL  22          3HG1      VAL  22  -5.953   4.057  -4.409
  164   HG21  VAL  22          3HG2      VAL  22  -2.966   1.872  -3.949
  165   HG22  VAL  22          1HG2      VAL  22  -3.897   2.812  -5.125
  166   HG23  VAL  22          2HG2      VAL  22  -2.880   3.646  -3.935
  167    H    LYS  23           H        LYS  23  -5.199   4.781  -0.512
  168    HA   LYS  23           HA       LYS  23  -2.806   6.357  -0.901
  169    HB2  LYS  23           1HB      LYS  23  -5.309   6.942   0.748
  170    HB3  LYS  23           2HB      LYS  23  -4.025   8.106   0.404
  171    HG2  LYS  23           1HG      LYS  23  -4.456   7.907  -2.026
  172    HG3  LYS  23           2HG      LYS  23  -5.754   6.739  -1.708
  173    HD2  LYS  23           1HD      LYS  23  -6.984   8.434  -0.399
  174    HD3  LYS  23           2HD      LYS  23  -5.700   9.621  -0.723
  175    HE2  LYS  23           1HE      LYS  23  -6.107   9.387  -3.165
  176    HE3  LYS  23           2HE      LYS  23  -7.383   8.206  -2.841
  177    HZ1  LYS  23           3HZ      LYS  23  -8.606   9.953  -1.657
  178    HZ2  LYS  23           1HZ      LYS  23  -8.302  10.427  -3.188
  179    HZ3  LYS  23           2HZ      LYS  23  -7.428  11.045  -1.957
  180    H    ASN  24           H        ASN  24  -4.166   4.514   1.764
  181    HA   ASN  24           HA       ASN  24  -2.294   5.333   3.815
  182    HB2  ASN  24           1HB      ASN  24  -4.576   4.264   4.142
  183    HB3  ASN  24           2HB      ASN  24  -3.892   2.742   3.572
  184   HD21  ASN  24          1HD2      ASN  24  -4.720   2.020   5.756
  185   HD22  ASN  24          2HD2      ASN  24  -3.652   2.293   7.120
  186    H    LEU  25           H        LEU  25  -2.361   2.649   1.435
  187    HA   LEU  25           HA       LEU  25   0.151   1.469   2.095
  188    HB2  LEU  25           1HB      LEU  25  -1.532   0.383   0.706
  189    HB3  LEU  25           2HB      LEU  25  -1.434   1.651  -0.497
  190    HG   LEU  25           HG       LEU  25   0.833   0.990  -1.117
  191   HD11  LEU  25          1HD1      LEU  25   0.519  -1.262   0.917
  192   HD12  LEU  25          2HD1      LEU  25   1.660   0.097   1.048
  193   HD13  LEU  25          3HD1      LEU  25   1.832  -1.065  -0.262
  194   HD21  LEU  25          3HD2      LEU  25  -1.106  -0.065  -2.216
  195   HD22  LEU  25          1HD2      LEU  25  -1.101  -1.354  -0.991
  196   HD23  LEU  25          2HD2      LEU  25   0.266  -1.180  -2.119
  197    H    ILE  26           H        ILE  26  -0.600   4.065  -0.318
  198    HA   ILE  26           HA       ILE  26   2.130   4.486  -1.081
  199    HB   ILE  26           HB       ILE  26  -0.340   6.232  -1.255
  200   HG12  ILE  26          1HG1      ILE  26   1.302   4.838  -3.429
  201   HG13  ILE  26          2HG1      ILE  26  -0.060   4.066  -2.637
  202   HG21  ILE  26          1HG2      ILE  26   1.569   7.779  -1.167
  203   HG22  ILE  26          2HG2      ILE  26   2.448   6.806  -2.370
  204   HG23  ILE  26          3HG2      ILE  26   0.976   7.696  -2.813
  205   HD11  ILE  26          3HD1      ILE  26  -0.195   6.574  -4.350
  206   HD12  ILE  26          1HD1      ILE  26  -0.819   4.964  -4.725
  207   HD13  ILE  26          2HD1      ILE  26  -1.560   5.908  -3.417
  208    H    LYS  27           H        LYS  27   0.193   6.034   1.531
  209    HA   LYS  27           HA       LYS  27   2.245   7.776   2.476
  210    HB2  LYS  27           1HB      LYS  27  -0.155   7.883   3.106
  211    HB3  LYS  27           2HB      LYS  27   0.031   6.408   4.066
  212    HG2  LYS  27           1HG      LYS  27   1.676   7.553   5.523
  213    HG3  LYS  27           2HG      LYS  27   1.554   9.014   4.523
  214    HD2  LYS  27           1HD      LYS  27  -0.852   9.207   5.106
  215    HD3  LYS  27           2HD      LYS  27  -0.726   7.742   6.105
  216    HE2  LYS  27           1HE      LYS  27   0.987   8.857   7.519
  217    HE3  LYS  27           2HE      LYS  27   0.870  10.314   6.523
  218    HZ1  LYS  27           3HZ      LYS  27  -0.492  10.499   8.523
  219    HZ2  LYS  27           1HZ      LYS  27  -1.353   9.170   8.134
  220    HZ3  LYS  27           2HZ      LYS  27  -1.461  10.517   7.212
  221    H    HIS  28           H        HIS  28   1.582   4.359   3.399
  222    HA   HIS  28           HA       HIS  28   3.731   4.060   5.242
  223    HB2  HIS  28           1HB      HIS  28   2.054   2.377   5.103
  224    HB3  HIS  28           2HB      HIS  28   2.312   2.116   3.386
  225    HD1  HIS  28           1HD      HIS  28   4.099   1.401   6.723
  226    HD2  HIS  28           2HD      HIS  28   4.176   0.400   2.642
  227    HE1  HIS  28           1HE      HIS  28   5.796  -0.459   6.510
  228    H    ILE  29           H        ILE  29   3.740   3.539   1.673
  229    HA   ILE  29           HA       ILE  29   6.506   2.811   1.524
  230    HB   ILE  29           HB       ILE  29   4.607   3.950  -0.543
  231   HG12  ILE  29          1HG1      ILE  29   5.662   1.096  -0.289
  232   HG13  ILE  29          2HG1      ILE  29   4.191   1.613   0.516
  233   HG21  ILE  29          1HG2      ILE  29   7.392   2.773  -0.946
  234   HG22  ILE  29          2HG2      ILE  29   6.248   3.137  -2.253
  235   HG23  ILE  29          3HG2      ILE  29   6.900   4.447  -1.285
  236   HD11  ILE  29          3HD1      ILE  29   3.575   0.544  -1.540
  237   HD12  ILE  29          1HD1      ILE  29   3.205   2.275  -1.682
  238   HD13  ILE  29          2HD1      ILE  29   4.637   1.592  -2.491
  239    H    ARG  30           H        ARG  30   4.949   6.026   1.168
  240    HA   ARG  30           HA       ARG  30   7.442   7.442   0.743
  241    HB2  ARG  30           1HB      ARG  30   4.665   8.356   1.590
  242    HB3  ARG  30           2HB      ARG  30   6.014   9.459   1.291
  243    HG2  ARG  30           1HG      ARG  30   6.225   8.653  -1.031
  244    HG3  ARG  30           2HG      ARG  30   4.923   7.491  -0.772
  245    HD2  ARG  30           1HD      ARG  30   4.001   9.353  -1.935
  246    HD3  ARG  30           2HD      ARG  30   3.353   9.374  -0.302
  247    HE   ARG  30           HE       ARG  30   5.464  11.189  -1.432
  248   HH11  ARG  30          2HH1      ARG  30   3.102  10.694   1.119
  249   HH12  ARG  30          1HH1      ARG  30   3.337  12.298   1.756
  250   HH21  ARG  30          2HH2      ARG  30   5.697  13.206  -0.567
  251   HH22  ARG  30          1HH2      ARG  30   4.762  13.676   0.821
  252    H    ASP  31           H        ASP  31   5.914   6.370   3.702
  253    HA   ASP  31           HA       ASP  31   7.600   8.099   5.379
  254    HB2  ASP  31           1HB      ASP  31   5.255   7.597   5.949
  255    HB3  ASP  31           2HB      ASP  31   5.661   5.886   6.117
  256    H    MET  32           H        MET  32   7.476   4.589   4.595
  257    HA   MET  32           HA       MET  32   9.877   4.141   6.310
  258    HB2  MET  32           1HB      MET  32   7.895   2.144   5.156
  259    HB3  MET  32           2HB      MET  32   9.238   1.797   6.250
  260    HG2  MET  32           1HG      MET  32   8.107   3.558   7.828
  261    HG3  MET  32           2HG      MET  32   6.688   3.311   6.807
  262    HE1  MET  32           3HE      MET  32   9.468   0.778   8.289
  263    HE2  MET  32           1HE      MET  32   9.029   1.932   9.571
  264    HE3  MET  32           2HE      MET  32   8.565   0.223   9.711
  265    H    HIS  33           H        HIS  33   9.078   4.194   2.917
  266    HA   HIS  33           HA       HIS  33  11.649   2.847   2.216
  267    HB2  HIS  33           1HB      HIS  33   9.027   2.374   0.778
  268    HB3  HIS  33           2HB      HIS  33  10.549   1.514   0.570
  269    HD1  HIS  33           1HD      HIS  33  11.225   0.359   3.315
  270    HD2  HIS  33           2HD      HIS  33   7.304   0.892   1.913
  271    HE1  HIS  33           1HE      HIS  33   9.789  -1.264   4.648
  272    H    ASP  34           H        ASP  34  11.263   5.635   2.361
  273    HA   ASP  34           HA       ASP  34  10.216   6.863   0.109
  274    HB2  ASP  34           1HB      ASP  34  11.282   8.892   0.878
  275    HB3  ASP  34           2HB      ASP  34  10.576   7.994   2.213
  276    HA   PRO  35           HA       PRO  35  13.455   6.465  -3.004
  277    HB2  PRO  35           1HB      PRO  35  12.552   8.214  -4.889
  278    HB3  PRO  35           2HB      PRO  35  11.743   6.651  -4.555
  279    HG2  PRO  35           1HG      PRO  35  11.008   9.393  -3.473
  280    HG3  PRO  35           2HG      PRO  35   9.929   8.176  -4.229
  281    HD2  PRO  35           1HD      PRO  35  10.180   8.409  -1.521
  282    HD3  PRO  35           2HD      PRO  35   9.959   6.817  -2.305
  283    H    GLN  36           H        GLN  36  15.344   7.549  -3.616
  284    HA   GLN  36           HA       GLN  36  15.823  10.331  -2.781
  285    HB2  GLN  36           1HB      GLN  36  17.474   7.965  -1.785
  286    HB3  GLN  36           2HB      GLN  36  17.897   9.674  -1.606
  287    HG2  GLN  36           1HG      GLN  36  15.806  10.029  -0.273
  288    HG3  GLN  36           2HG      GLN  36  15.464   8.301  -0.390
  289   HE21  GLN  36          1HE2      GLN  36  15.411   8.740   2.036
  290   HE22  GLN  36          2HE2      GLN  36  16.948   8.493   2.887
  291    H    ASP  37           H        ASP  37  17.288  11.314  -3.981
  292    HA   ASP  37           HA       ASP  37  19.002   9.920  -5.969
  293    HB2  ASP  37           1HB      ASP  37  16.880  10.379  -7.123
  294    HB3  ASP  37           2HB      ASP  37  16.966  12.073  -6.658
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -17.878 -17.319   4.579
    2    H2   GLY   1           2H       GLY   1 -19.401 -16.850   4.200
    3    H3   GLY   1           3H       GLY   1 -18.131 -15.877   3.846
    4    HA2  GLY   1           1HA      GLY   1 -18.643 -18.518   2.641
    5    HA3  GLY   1           2HA      GLY   1 -18.938 -16.959   1.849
    6    H    SER   2           H        SER   2 -17.214 -19.080   0.903
    7    HA   SER   2           HA       SER   2 -14.431 -18.300   1.324
    8    HB2  SER   2           1HB      SER   2 -13.983 -20.029  -0.394
    9    HB3  SER   2           2HB      SER   2 -14.945 -20.617   0.970
   10    HG   SER   2           HG       SER   2 -15.791 -21.306  -1.057
   11    H    SER   3           H        SER   3 -12.978 -17.742  -0.446
   12    HA   SER   3           HA       SER   3 -14.092 -16.378  -2.810
   13    HB2  SER   3           1HB      SER   3 -14.111 -14.607  -1.113
   14    HB3  SER   3           2HB      SER   3 -12.406 -14.920  -0.735
   15    HG   SER   3           HG       SER   3 -12.830 -13.149  -2.241
   16    H    GLY   4           H        GLY   4 -12.655 -16.178  -4.489
   17    HA2  GLY   4           1HA      GLY   4 -10.134 -17.715  -4.426
   18    HA3  GLY   4           2HA      GLY   4 -10.904 -16.971  -5.826
   19    H    SER   5           H        SER   5 -10.903 -14.557  -3.581
   20    HA   SER   5           HA       SER   5  -9.867 -12.568  -3.429
   21    HB2  SER   5           1HB      SER   5  -8.030 -14.070  -2.454
   22    HB3  SER   5           2HB      SER   5  -7.188 -13.842  -3.995
   23    HG   SER   5           HG       SER   5  -7.935 -11.922  -2.035
   24    H    SER   6           H        SER   6  -7.977 -11.171  -4.666
   25    HA   SER   6           HA       SER   6  -8.236 -11.401  -7.597
   26    HB2  SER   6           1HB      SER   6 -10.249 -10.110  -6.747
   27    HB3  SER   6           2HB      SER   6  -9.121  -8.853  -6.200
   28    HG   SER   6           HG       SER   6  -9.973  -8.487  -8.333
   29    H    GLY   7           H        GLY   7  -6.889  -9.869  -8.745
   30    HA2  GLY   7           1HA      GLY   7  -4.214  -9.632  -7.613
   31    HA3  GLY   7           2HA      GLY   7  -4.740  -9.154  -9.225
   32    H    ILE   8           H        ILE   8  -3.095  -7.489  -8.526
   33    HA   ILE   8           HA       ILE   8  -2.405  -5.483  -7.839
   34    HB   ILE   8           HB       ILE   8  -3.674  -3.575  -8.658
   35   HG12  ILE   8          1HG1      ILE   8  -5.687  -3.940 -10.070
   36   HG13  ILE   8          2HG1      ILE   8  -5.898  -5.538  -9.380
   37   HG21  ILE   8          1HG2      ILE   8  -3.533  -4.221 -10.984
   38   HG22  ILE   8          2HG2      ILE   8  -2.217  -4.977 -10.081
   39   HG23  ILE   8          3HG2      ILE   8  -3.631  -5.940 -10.568
   40   HD11  ILE   8          3HD1      ILE   8  -7.403  -3.831  -8.395
   41   HD12  ILE   8          1HD1      ILE   8  -6.335  -4.497  -7.154
   42   HD13  ILE   8          2HD1      ILE   8  -6.000  -2.893  -7.850
   43    H    LYS   9           H        LYS   9  -3.567  -6.918  -5.631
   44    HA   LYS   9           HA       LYS   9  -4.998  -5.181  -3.913
   45    HB2  LYS   9           1HB      LYS   9  -4.576  -6.800  -2.160
   46    HB3  LYS   9           2HB      LYS   9  -5.031  -7.583  -3.668
   47    HG2  LYS   9           1HG      LYS   9  -2.677  -8.234  -4.084
   48    HG3  LYS   9           2HG      LYS   9  -2.168  -7.301  -2.675
   49    HD2  LYS   9           1HD      LYS   9  -2.121  -9.453  -1.895
   50    HD3  LYS   9           2HD      LYS   9  -3.632  -8.853  -1.247
   51    HE2  LYS   9           1HE      LYS   9  -3.323 -10.638  -3.723
   52    HE3  LYS   9           2HE      LYS   9  -3.662 -11.208  -2.092
   53    HZ1  LYS   9           3HZ      LYS   9  -5.722  -9.719  -2.237
   54    HZ2  LYS   9           1HZ      LYS   9  -5.743 -11.105  -3.079
   55    HZ3  LYS   9           2HZ      LYS   9  -5.475  -9.721  -3.875
   56    H    GLN  10           H        GLN  10  -4.392  -4.413  -1.823
   57    HA   GLN  10           HA       GLN  10  -2.438  -2.338  -2.189
   58    HB2  GLN  10           1HB      GLN  10  -4.118  -2.805   0.290
   59    HB3  GLN  10           2HB      GLN  10  -3.402  -1.308  -0.281
   60    HG2  GLN  10           1HG      GLN  10  -5.645  -1.048  -0.793
   61    HG3  GLN  10           2HG      GLN  10  -4.958  -1.525  -2.340
   62   HE21  GLN  10          1HE2      GLN  10  -7.523  -1.894  -2.481
   63   HE22  GLN  10          2HE2      GLN  10  -8.020  -3.528  -2.073
   64    H    HIS  11           H        HIS  11  -0.887  -4.520  -2.120
   65    HA   HIS  11           HA       HIS  11   0.243  -4.857   0.572
   66    HB2  HIS  11           1HB      HIS  11   1.348  -6.763  -0.231
   67    HB3  HIS  11           2HB      HIS  11  -0.288  -6.840  -0.862
   68    HD1  HIS  11           1HD      HIS  11  -0.440  -6.101  -3.647
   69    HD2  HIS  11           2HD      HIS  11   3.312  -6.945  -1.926
   70    HE1  HIS  11           1HE      HIS  11   1.142  -6.584  -5.577
   71    H    CYS  12           H        CYS  12   2.367  -4.422   1.127
   72    HA   CYS  12           HA       CYS  12   3.803  -2.346  -0.324
   73    HB2  CYS  12           1HB      CYS  12   3.808  -2.520   2.129
   74    HB3  CYS  12           2HB      CYS  12   4.630  -4.098   2.008
   75    H    ARG  13           H        ARG  13   5.115  -2.585  -1.927
   76    HA   ARG  13           HA       ARG  13   5.883  -5.199  -3.016
   77    HB2  ARG  13           1HB      ARG  13   6.428  -2.302  -3.765
   78    HB3  ARG  13           2HB      ARG  13   7.287  -3.623  -4.545
   79    HG2  ARG  13           1HG      ARG  13   5.408  -2.921  -5.892
   80    HG3  ARG  13           2HG      ARG  13   5.238  -4.601  -5.387
   81    HD2  ARG  13           1HD      ARG  13   3.522  -4.021  -3.778
   82    HD3  ARG  13           2HD      ARG  13   3.782  -2.283  -4.051
   83    HE   ARG  13           HE       ARG  13   3.187  -3.317  -6.561
   84   HH11  ARG  13          2HH1      ARG  13   1.390  -3.258  -3.538
   85   HH12  ARG  13          1HH1      ARG  13  -0.147  -3.325  -4.373
   86   HH21  ARG  13          2HH2      ARG  13   1.196  -3.321  -7.523
   87   HH22  ARG  13          1HH2      ARG  13  -0.241  -3.259  -6.546
   88    H    PHE  14           H        PHE  14   7.240  -3.085  -0.659
   89    HA   PHE  14           HA       PHE  14  10.004  -4.071  -1.096
   90    HB2  PHE  14           1HB      PHE  14   9.052  -1.814   0.677
   91    HB3  PHE  14           2HB      PHE  14  10.690  -2.133   0.137
   92    HD1  PHE  14           2HD      PHE  14  11.277  -1.819  -2.325
   93    HD2  PHE  14           1HD      PHE  14   7.496  -0.561  -0.672
   94    HE1  PHE  14           2HE      PHE  14  10.874  -0.389  -4.318
   95    HE2  PHE  14           1HE      PHE  14   7.100   0.867  -2.665
   96    HZ   PHE  14           HZ       PHE  14   8.782   0.943  -4.496
   97    H    CYS  15           H        CYS  15   7.498  -4.068   1.450
   98    HA   CYS  15           HA       CYS  15   9.140  -6.034   2.949
   99    HB2  CYS  15           1HB      CYS  15   8.861  -4.998   5.028
  100    HB3  CYS  15           2HB      CYS  15   9.520  -3.817   3.912
  101    H    LYS  16           H        LYS  16   6.513  -5.941   1.297
  102    HA   LYS  16           HA       LYS  16   4.748  -7.279   1.008
  103    HB2  LYS  16           1HB      LYS  16   6.059  -9.255   2.856
  104    HB3  LYS  16           2HB      LYS  16   5.052  -9.568   1.450
  105    HG2  LYS  16           1HG      LYS  16   7.912  -8.537   1.483
  106    HG3  LYS  16           2HG      LYS  16   7.334 -10.105   0.941
  107    HD2  LYS  16           1HD      LYS  16   6.130  -8.998  -0.953
  108    HD3  LYS  16           2HD      LYS  16   6.787  -7.431  -0.429
  109    HE2  LYS  16           1HE      LYS  16   9.105  -8.381  -0.631
  110    HE3  LYS  16           2HE      LYS  16   8.405  -9.874  -1.267
  111    HZ1  LYS  16           3HZ      LYS  16   7.473  -8.520  -3.110
  112    HZ2  LYS  16           1HZ      LYS  16   9.103  -8.466  -3.077
  113    HZ3  LYS  16           2HZ      LYS  16   8.251  -7.187  -2.540
  114    H    LYS  17           H        LYS  17   4.562  -5.593   3.581
  115    HA   LYS  17           HA       LYS  17   2.382  -6.863   5.082
  116    HB2  LYS  17           1HB      LYS  17   3.347  -3.975   4.917
  117    HB3  LYS  17           2HB      LYS  17   2.140  -4.579   6.065
  118    HG2  LYS  17           1HG      LYS  17   3.760  -6.032   7.143
  119    HG3  LYS  17           2HG      LYS  17   4.961  -5.709   5.890
  120    HD2  LYS  17           1HD      LYS  17   4.916  -3.262   6.579
  121    HD3  LYS  17           2HD      LYS  17   3.907  -3.738   7.950
  122    HE2  LYS  17           1HE      LYS  17   6.234  -3.567   8.646
  123    HE3  LYS  17           2HE      LYS  17   5.704  -5.249   8.757
  124    HZ1  LYS  17           3HZ      LYS  17   6.873  -5.723   6.706
  125    HZ2  LYS  17           1HZ      LYS  17   7.928  -4.949   7.691
  126    HZ3  LYS  17           2HZ      LYS  17   7.218  -4.161   6.429
  127    H    LYS  18           H        LYS  18   0.197  -5.654   5.225
  128    HA   LYS  18           HA       LYS  18  -0.764  -4.748   2.543
  129    HB2  LYS  18           1HB      LYS  18  -1.250  -7.251   3.704
  130    HB3  LYS  18           2HB      LYS  18  -2.700  -6.363   4.100
  131    HG2  LYS  18           1HG      LYS  18  -1.507  -6.573   1.296
  132    HG3  LYS  18           2HG      LYS  18  -2.673  -7.715   1.942
  133    HD2  LYS  18           1HD      LYS  18  -3.250  -4.740   1.638
  134    HD3  LYS  18           2HD      LYS  18  -3.620  -5.945   0.408
  135    HE2  LYS  18           1HE      LYS  18  -5.131  -7.125   1.910
  136    HE3  LYS  18           2HE      LYS  18  -4.697  -6.059   3.254
  137    HZ1  LYS  18           3HZ      LYS  18  -6.001  -5.090   0.760
  138    HZ2  LYS  18           1HZ      LYS  18  -5.672  -4.204   2.086
  139    HZ3  LYS  18           2HZ      LYS  18  -6.793  -5.399   2.163
  140    H    TYR  19           H        TYR  19  -2.141  -3.095   2.481
  141    HA   TYR  19           HA       TYR  19  -3.047  -1.865   5.053
  142    HB2  TYR  19           1HB      TYR  19  -1.954  -0.695   2.499
  143    HB3  TYR  19           2HB      TYR  19  -3.002   0.265   3.533
  144    HD1  TYR  19           1HD      TYR  19  -2.362   0.968   5.761
  145    HD2  TYR  19           2HD      TYR  19   0.274  -1.476   3.371
  146    HE1  TYR  19           1HE      TYR  19  -0.558   1.284   7.437
  147    HE2  TYR  19           2HE      TYR  19   2.077  -1.170   5.061
  148    HH   TYR  19           HH       TYR  19   1.550   0.720   8.079
  149    H    SER  20           H        SER  20  -4.918  -0.395   4.900
  150    HA   SER  20           HA       SER  20  -7.214  -1.908   4.058
  151    HB2  SER  20           1HB      SER  20  -8.441   0.054   5.029
  152    HB3  SER  20           2HB      SER  20  -7.258  -0.695   6.111
  153    HG   SER  20           HG       SER  20  -7.031   1.527   6.202
  154    H    ASP  21           H        ASP  21  -5.498   0.780   2.602
  155    HA   ASP  21           HA       ASP  21  -7.136   0.639   0.172
  156    HB2  ASP  21           1HB      ASP  21  -8.275   2.303   1.736
  157    HB3  ASP  21           2HB      ASP  21  -6.812   3.284   1.657
  158    H    VAL  22           H        VAL  22  -6.024   1.656  -1.670
  159    HA   VAL  22           HA       VAL  22  -3.178   1.464  -1.611
  160    HB   VAL  22           HB       VAL  22  -4.726   1.321  -3.606
  161   HG11  VAL  22          1HG1      VAL  22  -4.356   4.324  -3.823
  162   HG12  VAL  22          2HG1      VAL  22  -5.160   3.243  -4.971
  163   HG13  VAL  22          3HG1      VAL  22  -5.884   3.515  -3.378
  164   HG21  VAL  22          3HG2      VAL  22  -3.011   1.984  -5.181
  165   HG22  VAL  22          1HG2      VAL  22  -2.243   3.021  -3.965
  166   HG23  VAL  22          2HG2      VAL  22  -2.253   1.255  -3.755
  167    H    LYS  23           H        LYS  23  -5.349   4.253  -1.103
  168    HA   LYS  23           HA       LYS  23  -3.177   6.138  -1.176
  169    HB2  LYS  23           1HB      LYS  23  -5.966   6.427   0.034
  170    HB3  LYS  23           2HB      LYS  23  -4.849   7.756  -0.254
  171    HG2  LYS  23           1HG      LYS  23  -6.107   6.005  -2.411
  172    HG3  LYS  23           2HG      LYS  23  -6.599   7.635  -1.958
  173    HD2  LYS  23           1HD      LYS  23  -4.356   8.500  -2.676
  174    HD3  LYS  23           2HD      LYS  23  -3.896   6.859  -3.145
  175    HE2  LYS  23           1HE      LYS  23  -4.540   7.972  -5.137
  176    HE3  LYS  23           2HE      LYS  23  -5.794   6.790  -4.762
  177    HZ1  LYS  23           3HZ      LYS  23  -7.152   8.618  -3.877
  178    HZ2  LYS  23           1HZ      LYS  23  -6.727   8.945  -5.416
  179    HZ3  LYS  23           2HZ      LYS  23  -5.970   9.706  -4.189
  180    H    ASN  24           H        ASN  24  -4.016   3.887   1.201
  181    HA   ASN  24           HA       ASN  24  -2.504   5.330   3.341
  182    HB2  ASN  24           1HB      ASN  24  -4.187   2.793   3.392
  183    HB3  ASN  24           2HB      ASN  24  -3.254   3.400   4.759
  184   HD21  ASN  24          1HD2      ASN  24  -6.112   3.018   4.775
  185   HD22  ASN  24          2HD2      ASN  24  -6.799   4.621   5.004
  186    H    LEU  25           H        LEU  25  -2.285   2.531   1.135
  187    HA   LEU  25           HA       LEU  25   0.220   1.539   2.080
  188    HB2  LEU  25           1HB      LEU  25  -1.154   0.294   0.511
  189    HB3  LEU  25           2HB      LEU  25  -1.047   1.590  -0.685
  190    HG   LEU  25           HG       LEU  25   1.416   1.195  -0.871
  191   HD11  LEU  25          1HD1      LEU  25   2.349  -0.878  -0.002
  192   HD12  LEU  25          2HD1      LEU  25   0.821  -1.274   0.816
  193   HD13  LEU  25          3HD1      LEU  25   1.802   0.118   1.340
  194   HD21  LEU  25          3HD2      LEU  25  -0.328  -1.216  -1.428
  195   HD22  LEU  25          1HD2      LEU  25   1.228  -0.832  -2.195
  196   HD23  LEU  25          2HD2      LEU  25  -0.169   0.219  -2.464
  197    H    ILE  26           H        ILE  26  -0.456   4.165  -0.356
  198    HA   ILE  26           HA       ILE  26   2.270   4.810  -0.794
  199    HB   ILE  26           HB       ILE  26  -0.363   6.212  -1.158
  200   HG12  ILE  26          1HG1      ILE  26   0.196   6.132  -3.476
  201   HG13  ILE  26          2HG1      ILE  26   1.884   5.720  -3.145
  202   HG21  ILE  26          1HG2      ILE  26   1.054   8.092  -0.508
  203   HG22  ILE  26          2HG2      ILE  26   2.353   7.521  -1.591
  204   HG23  ILE  26          3HG2      ILE  26   0.819   8.123  -2.256
  205   HD11  ILE  26          3HD1      ILE  26   1.190   3.442  -2.468
  206   HD12  ILE  26          1HD1      ILE  26  -0.494   3.887  -2.819
  207   HD13  ILE  26          2HD1      ILE  26   0.698   3.850  -4.116
  208    H    LYS  27           H        LYS  27   0.157   5.866   1.900
  209    HA   LYS  27           HA       LYS  27   2.070   7.722   3.039
  210    HB2  LYS  27           1HB      LYS  27  -0.073   6.079   4.461
  211    HB3  LYS  27           2HB      LYS  27   0.841   7.406   5.163
  212    HG2  LYS  27           1HG      LYS  27  -0.151   8.988   3.543
  213    HG3  LYS  27           2HG      LYS  27  -1.066   7.663   2.816
  214    HD2  LYS  27           1HD      LYS  27  -2.115   7.235   5.109
  215    HD3  LYS  27           2HD      LYS  27  -1.268   8.672   5.685
  216    HE2  LYS  27           1HE      LYS  27  -3.435   9.430   5.222
  217    HE3  LYS  27           2HE      LYS  27  -2.470   9.990   3.852
  218    HZ1  LYS  27           3HZ      LYS  27  -4.556   8.986   3.119
  219    HZ2  LYS  27           1HZ      LYS  27  -4.223   7.573   3.875
  220    HZ3  LYS  27           2HZ      LYS  27  -3.319   8.045   2.596
  221    H    HIS  28           H        HIS  28   1.614   4.199   3.431
  222    HA   HIS  28           HA       HIS  28   3.728   3.841   5.356
  223    HB2  HIS  28           1HB      HIS  28   2.137   2.111   5.089
  224    HB3  HIS  28           2HB      HIS  28   2.386   1.990   3.359
  225    HD1  HIS  28           1HD      HIS  28   3.899   0.770   6.605
  226    HD2  HIS  28           2HD      HIS  28   4.511   0.622   2.457
  227    HE1  HIS  28           1HE      HIS  28   5.721  -0.958   6.246
  228    H    ILE  29           H        ILE  29   3.779   3.589   1.743
  229    HA   ILE  29           HA       ILE  29   6.545   2.958   1.568
  230    HB   ILE  29           HB       ILE  29   4.757   4.369  -0.427
  231   HG12  ILE  29          1HG1      ILE  29   5.676   1.461  -0.477
  232   HG13  ILE  29          2HG1      ILE  29   4.191   1.948   0.322
  233   HG21  ILE  29          1HG2      ILE  29   7.111   4.834  -1.010
  234   HG22  ILE  29          2HG2      ILE  29   7.506   3.107  -0.870
  235   HG23  ILE  29          3HG2      ILE  29   6.437   3.697  -2.156
  236   HD11  ILE  29          3HD1      ILE  29   3.372   2.961  -1.816
  237   HD12  ILE  29          1HD1      ILE  29   4.791   2.279  -2.640
  238   HD13  ILE  29          2HD1      ILE  29   3.616   1.200  -1.881
  239    H    ARG  30           H        ARG  30   5.000   6.217   1.406
  240    HA   ARG  30           HA       ARG  30   7.487   7.591   1.019
  241    HB2  ARG  30           1HB      ARG  30   6.278   9.550   1.086
  242    HB3  ARG  30           2HB      ARG  30   5.120   8.356   0.489
  243    HG2  ARG  30           1HG      ARG  30   4.231   8.187   2.855
  244    HG3  ARG  30           2HG      ARG  30   5.268   9.563   3.281
  245    HD2  ARG  30           1HD      ARG  30   4.185  10.879   1.456
  246    HD3  ARG  30           2HD      ARG  30   3.096   9.508   1.155
  247    HE   ARG  30           HE       ARG  30   3.006  10.273   3.934
  248   HH11  ARG  30          2HH1      ARG  30   1.849  11.444   0.841
  249   HH12  ARG  30          1HH1      ARG  30   0.535  12.330   1.565
  250   HH21  ARG  30          2HH2      ARG  30   1.319  11.440   4.793
  251   HH22  ARG  30          1HH2      ARG  30   0.257  12.330   3.746
  252    H    ASP  31           H        ASP  31   6.015   6.479   3.955
  253    HA   ASP  31           HA       ASP  31   7.793   8.108   5.663
  254    HB2  ASP  31           1HB      ASP  31   5.367   7.724   6.163
  255    HB3  ASP  31           2HB      ASP  31   5.732   6.018   6.434
  256    H    MET  32           H        MET  32   7.451   4.673   4.721
  257    HA   MET  32           HA       MET  32   9.630   3.885   6.570
  258    HB2  MET  32           1HB      MET  32   7.712   2.231   4.888
  259    HB3  MET  32           2HB      MET  32   8.895   1.583   6.011
  260    HG2  MET  32           1HG      MET  32   6.568   3.397   6.749
  261    HG3  MET  32           2HG      MET  32   6.634   1.658   6.982
  262    HE1  MET  32           3HE      MET  32   9.588   1.101   8.163
  263    HE2  MET  32           1HE      MET  32   9.191   1.184   9.889
  264    HE3  MET  32           2HE      MET  32   8.064   0.399   8.763
  265    H    HIS  33           H        HIS  33   9.201   4.270   3.088
  266    HA   HIS  33           HA       HIS  33  11.803   2.841   2.625
  267    HB2  HIS  33           1HB      HIS  33   9.336   2.801   0.858
  268    HB3  HIS  33           2HB      HIS  33  10.847   1.939   0.583
  269    HD1  HIS  33           1HD      HIS  33  11.322   0.482   3.288
  270    HD2  HIS  33           2HD      HIS  33   7.559   1.034   1.504
  271    HE1  HIS  33           1HE      HIS  33   9.825  -1.304   4.283
  272    H    ASP  34           H        ASP  34   9.604   5.279   1.201
  273    HA   ASP  34           HA       ASP  34   9.922   6.839  -0.427
  274    HB2  ASP  34           1HB      ASP  34  10.433   7.901   1.722
  275    HB3  ASP  34           2HB      ASP  34  12.146   7.578   1.490
  276    HA   PRO  35           HA       PRO  35  13.460   4.482  -2.395
  277    HB2  PRO  35           1HB      PRO  35  12.204   3.492  -4.633
  278    HB3  PRO  35           2HB      PRO  35  12.130   2.720  -3.019
  279    HG2  PRO  35           1HG      PRO  35  10.110   4.621  -4.261
  280    HG3  PRO  35           2HG      PRO  35   9.802   3.035  -3.484
  281    HD2  PRO  35           1HD      PRO  35   9.492   5.335  -2.104
  282    HD3  PRO  35           2HD      PRO  35  10.224   3.901  -1.327
  283    H    GLN  36           H        GLN  36  14.913   5.238  -3.790
  284    HA   GLN  36           HA       GLN  36  14.246   6.960  -6.076
  285    HB2  GLN  36           1HB      GLN  36  14.334   8.533  -4.137
  286    HB3  GLN  36           2HB      GLN  36  15.987   8.012  -3.797
  287    HG2  GLN  36           1HG      GLN  36  16.720   8.880  -6.001
  288    HG3  GLN  36           2HG      GLN  36  15.051   9.308  -6.401
  289   HE21  GLN  36          1HE2      GLN  36  17.741  10.050  -4.105
  290   HE22  GLN  36          2HE2      GLN  36  17.167  11.677  -3.769
  291    H    ASP  37           H        ASP  37  16.876   5.609  -4.034
  292    HA   ASP  37           HA       ASP  37  18.324   4.627  -6.430
  293    HB2  ASP  37           1HB      ASP  37  19.284   6.835  -5.915
  294    HB3  ASP  37           2HB      ASP  37  19.545   6.357  -4.243
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -17.047 -19.302 -12.272
    2    H2   GLY   1           2H       GLY   1 -18.392 -19.896 -12.990
    3    H3   GLY   1           3H       GLY   1 -17.732 -20.682 -11.711
    4    HA2  GLY   1           1HA      GLY   1 -19.702 -19.511 -11.003
    5    HA3  GLY   1           2HA      GLY   1 -18.245 -18.853 -10.236
    6    H    SER   2           H        SER   2 -19.679 -16.959  -9.926
    7    HA   SER   2           HA       SER   2 -19.378 -14.994 -12.118
    8    HB2  SER   2           1HB      SER   2 -21.724 -14.249 -11.881
    9    HB3  SER   2           2HB      SER   2 -21.591 -15.891 -12.525
   10    HG   SER   2           HG       SER   2 -23.199 -15.730 -10.891
   11    H    SER   3           H        SER   3 -19.732 -12.819 -11.452
   12    HA   SER   3           HA       SER   3 -19.312 -10.976 -10.287
   13    HB2  SER   3           1HB      SER   3 -20.581 -12.437  -7.960
   14    HB3  SER   3           2HB      SER   3 -20.314 -10.691  -8.081
   15    HG   SER   3           HG       SER   3 -22.440 -11.299  -8.728
   16    H    GLY   4           H        GLY   4 -17.922 -13.760  -8.587
   17    HA2  GLY   4           1HA      GLY   4 -15.811 -14.007  -7.661
   18    HA3  GLY   4           2HA      GLY   4 -15.400 -12.365  -8.141
   19    H    SER   5           H        SER   5 -14.369 -13.007  -5.879
   20    HA   SER   5           HA       SER   5 -15.952 -11.652  -3.738
   21    HB2  SER   5           1HB      SER   5 -15.218 -13.379  -2.143
   22    HB3  SER   5           2HB      SER   5 -16.214 -14.050  -3.442
   23    HG   SER   5           HG       SER   5 -14.344 -15.328  -3.030
   24    H    SER   6           H        SER   6 -13.185 -11.363  -5.478
   25    HA   SER   6           HA       SER   6 -11.126 -11.127  -3.547
   26    HB2  SER   6           1HB      SER   6 -11.343  -9.743  -6.244
   27    HB3  SER   6           2HB      SER   6  -9.861 -10.000  -5.302
   28    HG   SER   6           HG       SER   6 -10.144 -11.602  -6.929
   29    H    GLY   7           H        GLY   7 -10.368  -9.525  -2.290
   30    HA2  GLY   7           1HA      GLY   7 -11.940  -7.076  -1.875
   31    HA3  GLY   7           2HA      GLY   7 -10.571  -7.635  -0.924
   32    H    ILE   8           H        ILE   8 -10.850  -5.000  -1.553
   33    HA   ILE   8           HA       ILE   8  -9.085  -4.303  -3.786
   34    HB   ILE   8           HB       ILE   8 -11.159  -3.061  -3.236
   35   HG12  ILE   8          1HG1      ILE   8 -10.392  -0.803  -3.550
   36   HG13  ILE   8          2HG1      ILE   8  -8.759  -1.205  -3.050
   37   HG21  ILE   8          1HG2      ILE   8 -11.028  -3.119  -0.757
   38   HG22  ILE   8          2HG2      ILE   8  -9.643  -2.007  -0.809
   39   HG23  ILE   8          3HG2      ILE   8 -11.237  -1.479  -1.371
   40   HD11  ILE   8          3HD1      ILE   8  -9.031  -0.989  -5.521
   41   HD12  ILE   8          1HD1      ILE   8  -8.449  -2.594  -5.060
   42   HD13  ILE   8          2HD1      ILE   8 -10.158  -2.361  -5.506
   43    H    LYS   9           H        LYS   9  -8.502  -5.268  -0.651
   44    HA   LYS   9           HA       LYS   9  -6.580  -3.537   0.422
   45    HB2  LYS   9           1HB      LYS   9  -6.677  -6.573   0.669
   46    HB3  LYS   9           2HB      LYS   9  -5.806  -5.472   1.742
   47    HG2  LYS   9           1HG      LYS   9  -7.972  -4.410   2.393
   48    HG3  LYS   9           2HG      LYS   9  -8.833  -5.583   1.376
   49    HD2  LYS   9           1HD      LYS   9  -7.765  -7.437   2.706
   50    HD3  LYS   9           2HD      LYS   9  -7.100  -6.228   3.807
   51    HE2  LYS   9           1HE      LYS   9 -10.071  -6.657   3.216
   52    HE3  LYS   9           2HE      LYS   9  -9.213  -7.343   4.596
   53    HZ1  LYS   9           3HZ      LYS   9  -8.741  -5.071   5.356
   54    HZ2  LYS   9           1HZ      LYS   9 -10.347  -5.323   5.236
   55    HZ3  LYS   9           2HZ      LYS   9  -9.587  -4.439   4.100
   56    H    GLN  10           H        GLN  10  -4.382  -3.441   0.491
   57    HA   GLN  10           HA       GLN  10  -2.951  -4.443  -1.948
   58    HB2  GLN  10           1HB      GLN  10  -2.723  -1.785  -0.470
   59    HB3  GLN  10           2HB      GLN  10  -1.688  -2.290  -1.802
   60    HG2  GLN  10           1HG      GLN  10  -4.699  -1.834  -1.964
   61    HG3  GLN  10           2HG      GLN  10  -3.448  -0.762  -2.572
   62   HE21  GLN  10          1HE2      GLN  10  -5.651  -2.958  -3.655
   63   HE22  GLN  10          2HE2      GLN  10  -4.775  -3.517  -5.082
   64    H    HIS  11           H        HIS  11  -0.895  -5.205  -1.779
   65    HA   HIS  11           HA       HIS  11   0.331  -5.442   0.923
   66    HB2  HIS  11           1HB      HIS  11   1.757  -7.145  -0.058
   67    HB3  HIS  11           2HB      HIS  11   0.055  -7.541  -0.253
   68    HD1  HIS  11           1HD      HIS  11  -0.786  -7.875  -2.760
   69    HD2  HIS  11           2HD      HIS  11   3.105  -6.321  -2.353
   70    HE1  HIS  11           1HE      HIS  11   0.229  -7.861  -5.098
   71    H    CYS  12           H        CYS  12   2.335  -4.530   1.381
   72    HA   CYS  12           HA       CYS  12   3.245  -2.341  -0.124
   73    HB2  CYS  12           1HB      CYS  12   3.643  -2.513   2.234
   74    HB3  CYS  12           2HB      CYS  12   4.600  -3.990   2.023
   75    H    ARG  13           H        ARG  13   4.754  -1.934  -1.539
   76    HA   ARG  13           HA       ARG  13   5.560  -4.068  -3.367
   77    HB2  ARG  13           1HB      ARG  13   6.346  -1.126  -3.423
   78    HB3  ARG  13           2HB      ARG  13   6.425  -2.266  -4.757
   79    HG2  ARG  13           1HG      ARG  13   3.907  -1.161  -3.436
   80    HG3  ARG  13           2HG      ARG  13   4.564  -0.711  -4.996
   81    HD2  ARG  13           1HD      ARG  13   3.449  -2.314  -6.013
   82    HD3  ARG  13           2HD      ARG  13   4.232  -3.560  -5.063
   83    HE   ARG  13           HE       ARG  13   2.468  -3.322  -3.343
   84   HH11  ARG  13          2HH1      ARG  13   1.559  -2.070  -6.514
   85   HH12  ARG  13          1HH1      ARG  13  -0.137  -2.199  -6.125
   86   HH21  ARG  13          2HH2      ARG  13   0.416  -3.390  -2.958
   87   HH22  ARG  13          1HH2      ARG  13  -0.798  -2.935  -4.163
   88    H    PHE  14           H        PHE  14   6.978  -2.817  -0.570
   89    HA   PHE  14           HA       PHE  14   9.708  -3.780  -1.372
   90    HB2  PHE  14           1HB      PHE  14   8.973  -1.590   0.578
   91    HB3  PHE  14           2HB      PHE  14  10.598  -2.085   0.143
   92    HD1  PHE  14           2HD      PHE  14  11.510  -1.590  -2.134
   93    HD2  PHE  14           1HD      PHE  14   7.648  -0.146  -0.873
   94    HE1  PHE  14           2HE      PHE  14  11.495   0.024  -4.024
   95    HE2  PHE  14           1HE      PHE  14   7.635   1.466  -2.767
   96    HZ   PHE  14           HZ       PHE  14   9.553   1.541  -4.349
   97    H    CYS  15           H        CYS  15   7.247  -3.897   1.209
   98    HA   CYS  15           HA       CYS  15   8.816  -6.080   2.467
   99    HB2  CYS  15           1HB      CYS  15   8.653  -5.208   4.639
  100    HB3  CYS  15           2HB      CYS  15   9.368  -3.981   3.608
  101    H    LYS  16           H        LYS  16   6.105  -5.702   0.945
  102    HA   LYS  16           HA       LYS  16   4.151  -6.791   0.751
  103    HB2  LYS  16           1HB      LYS  16   5.624  -8.932   2.312
  104    HB3  LYS  16           2HB      LYS  16   4.198  -9.202   1.324
  105    HG2  LYS  16           1HG      LYS  16   6.866  -8.201   0.240
  106    HG3  LYS  16           2HG      LYS  16   6.316  -9.875   0.241
  107    HD2  LYS  16           1HD      LYS  16   4.379  -9.268  -1.198
  108    HD3  LYS  16           2HD      LYS  16   4.898  -7.583  -1.180
  109    HE2  LYS  16           1HE      LYS  16   5.620  -8.488  -3.246
  110    HE3  LYS  16           2HE      LYS  16   7.053  -8.223  -2.250
  111    HZ1  LYS  16           3HZ      LYS  16   7.058 -10.615  -1.753
  112    HZ2  LYS  16           1HZ      LYS  16   7.095 -10.391  -3.366
  113    HZ3  LYS  16           2HZ      LYS  16   5.707 -10.851  -2.646
  114    H    LYS  17           H        LYS  17   4.531  -5.446   3.660
  115    HA   LYS  17           HA       LYS  17   2.465  -6.626   5.243
  116    HB2  LYS  17           1HB      LYS  17   3.420  -3.739   5.123
  117    HB3  LYS  17           2HB      LYS  17   2.357  -4.418   6.370
  118    HG2  LYS  17           1HG      LYS  17   4.107  -5.955   7.115
  119    HG3  LYS  17           2HG      LYS  17   5.152  -5.467   5.772
  120    HD2  LYS  17           1HD      LYS  17   5.167  -3.118   6.690
  121    HD3  LYS  17           2HD      LYS  17   4.242  -3.696   8.079
  122    HE2  LYS  17           1HE      LYS  17   6.622  -3.523   8.614
  123    HE3  LYS  17           2HE      LYS  17   6.079  -5.199   8.725
  124    HZ1  LYS  17           3HZ      LYS  17   7.127  -5.674   6.641
  125    HZ2  LYS  17           1HZ      LYS  17   8.242  -4.850   7.511
  126    HZ3  LYS  17           2HZ      LYS  17   7.408  -4.114   6.292
  127    H    LYS  18           H        LYS  18   0.341  -6.014   5.638
  128    HA   LYS  18           HA       LYS  18  -1.142  -5.388   3.166
  129    HB2  LYS  18           1HB      LYS  18  -1.908  -6.562   5.852
  130    HB3  LYS  18           2HB      LYS  18  -3.082  -6.238   4.560
  131    HG2  LYS  18           1HG      LYS  18  -1.825  -7.732   3.026
  132    HG3  LYS  18           2HG      LYS  18  -0.668  -8.093   4.320
  133    HD2  LYS  18           1HD      LYS  18  -2.506  -9.034   5.703
  134    HD3  LYS  18           2HD      LYS  18  -3.660  -8.689   4.395
  135    HE2  LYS  18           1HE      LYS  18  -2.369 -10.164   2.869
  136    HE3  LYS  18           2HE      LYS  18  -1.209 -10.498   4.161
  137    HZ1  LYS  18           3HZ      LYS  18  -4.096 -11.207   4.244
  138    HZ2  LYS  18           1HZ      LYS  18  -3.022 -11.515   5.438
  139    HZ3  LYS  18           2HZ      LYS  18  -2.872 -12.258   3.993
  140    H    TYR  19           H        TYR  19  -2.411  -3.747   2.778
  141    HA   TYR  19           HA       TYR  19  -3.251  -1.846   4.911
  142    HB2  TYR  19           1HB      TYR  19  -1.879  -1.183   2.284
  143    HB3  TYR  19           2HB      TYR  19  -2.819  -0.003   3.193
  144    HD1  TYR  19           1HD      TYR  19  -2.164   0.696   5.477
  145    HD2  TYR  19           2HD      TYR  19   0.337  -1.892   3.091
  146    HE1  TYR  19           1HE      TYR  19  -0.299   0.994   7.104
  147    HE2  TYR  19           2HE      TYR  19   2.200  -1.582   4.714
  148    HH   TYR  19           HH       TYR  19   2.830  -0.686   6.730
  149    H    SER  20           H        SER  20  -5.175  -0.731   4.547
  150    HA   SER  20           HA       SER  20  -7.184  -2.327   3.264
  151    HB2  SER  20           1HB      SER  20  -8.694  -0.521   4.168
  152    HB3  SER  20           2HB      SER  20  -7.634  -1.291   5.361
  153    HG   SER  20           HG       SER  20  -7.622   0.970   5.590
  154    H    ASP  21           H        ASP  21  -5.454   0.484   2.171
  155    HA   ASP  21           HA       ASP  21  -6.891   0.527  -0.397
  156    HB2  ASP  21           1HB      ASP  21  -8.182   2.069   1.102
  157    HB3  ASP  21           2HB      ASP  21  -6.705   2.980   1.412
  158    H    VAL  22           H        VAL  22  -5.667   1.683  -2.056
  159    HA   VAL  22           HA       VAL  22  -2.854   1.365  -1.847
  160    HB   VAL  22           HB       VAL  22  -4.207   1.447  -3.958
  161   HG11  VAL  22          1HG1      VAL  22  -5.381   3.634  -3.573
  162   HG12  VAL  22          2HG1      VAL  22  -3.824   4.457  -3.852
  163   HG13  VAL  22          3HG1      VAL  22  -4.567   3.500  -5.141
  164   HG21  VAL  22          3HG2      VAL  22  -1.736   1.395  -3.931
  165   HG22  VAL  22          1HG2      VAL  22  -2.369   2.306  -5.313
  166   HG23  VAL  22          2HG2      VAL  22  -1.705   3.172  -3.912
  167    H    LYS  23           H        LYS  23  -4.839   4.285  -1.165
  168    HA   LYS  23           HA       LYS  23  -2.501   5.979  -1.163
  169    HB2  LYS  23           1HB      LYS  23  -5.285   6.433   0.011
  170    HB3  LYS  23           2HB      LYS  23  -4.033   7.674  -0.110
  171    HG2  LYS  23           1HG      LYS  23  -3.986   7.425  -2.574
  172    HG3  LYS  23           2HG      LYS  23  -5.250   6.186  -2.482
  173    HD2  LYS  23           1HD      LYS  23  -6.801   7.822  -1.464
  174    HD3  LYS  23           2HD      LYS  23  -5.544   9.077  -1.564
  175    HE2  LYS  23           1HE      LYS  23  -5.469   8.796  -4.034
  176    HE3  LYS  23           2HE      LYS  23  -6.717   7.547  -3.933
  177    HZ1  LYS  23           3HZ      LYS  23  -8.237   9.229  -3.034
  178    HZ2  LYS  23           1HZ      LYS  23  -7.675   9.707  -4.488
  179    HZ3  LYS  23           2HZ      LYS  23  -7.084  10.385  -3.128
  180    H    ASN  24           H        ASN  24  -4.082   4.082   1.320
  181    HA   ASN  24           HA       ASN  24  -2.529   5.085   3.574
  182    HB2  ASN  24           1HB      ASN  24  -4.047   2.474   3.114
  183    HB3  ASN  24           2HB      ASN  24  -3.296   2.934   4.640
  184   HD21  ASN  24          1HD2      ASN  24  -6.104   2.388   4.430
  185   HD22  ASN  24          2HD2      ASN  24  -6.909   3.915   4.742
  186    H    LEU  25           H        LEU  25  -2.035   2.534   1.107
  187    HA   LEU  25           HA       LEU  25   0.513   1.719   2.183
  188    HB2  LEU  25           1HB      LEU  25  -0.715   0.222   0.757
  189    HB3  LEU  25           2HB      LEU  25  -0.735   1.380  -0.563
  190    HG   LEU  25           HG       LEU  25   1.692   1.219  -0.822
  191   HD11  LEU  25          1HD1      LEU  25   3.056  -0.337   0.366
  192   HD12  LEU  25          2HD1      LEU  25   1.653  -1.043   1.217
  193   HD13  LEU  25          3HD1      LEU  25   2.230   0.588   1.593
  194   HD21  LEU  25          3HD2      LEU  25   0.227  -0.298  -2.087
  195   HD22  LEU  25          1HD2      LEU  25   0.352  -1.502  -0.781
  196   HD23  LEU  25          2HD2      LEU  25   1.791  -1.047  -1.720
  197    H    ILE  26           H        ILE  26  -0.366   4.200  -0.304
  198    HA   ILE  26           HA       ILE  26   2.293   4.945  -0.963
  199    HB   ILE  26           HB       ILE  26  -0.071   6.845  -0.791
  200   HG12  ILE  26          1HG1      ILE  26  -0.900   5.444  -2.407
  201   HG13  ILE  26          2HG1      ILE  26   0.006   6.553  -3.377
  202   HG21  ILE  26          1HG2      ILE  26   1.218   8.184  -2.445
  203   HG22  ILE  26          2HG2      ILE  26   2.067   8.044  -0.918
  204   HG23  ILE  26          3HG2      ILE  26   2.573   7.043  -2.299
  205   HD11  ILE  26          3HD1      ILE  26   1.881   4.853  -3.463
  206   HD12  ILE  26          1HD1      ILE  26   0.776   3.724  -2.623
  207   HD13  ILE  26          2HD1      ILE  26   0.342   4.356  -4.212
  208    H    LYS  27           H        LYS  27   0.259   6.122   1.757
  209    HA   LYS  27           HA       LYS  27   2.201   7.850   2.922
  210    HB2  LYS  27           1HB      LYS  27  -0.184   7.862   3.514
  211    HB3  LYS  27           2HB      LYS  27  -0.055   6.244   4.193
  212    HG2  LYS  27           1HG      LYS  27  -0.125   7.901   5.953
  213    HG3  LYS  27           2HG      LYS  27   1.423   7.058   5.977
  214    HD2  LYS  27           1HD      LYS  27   2.517   8.998   4.882
  215    HD3  LYS  27           2HD      LYS  27   0.946   9.823   4.767
  216    HE2  LYS  27           1HE      LYS  27   0.758   9.771   7.250
  217    HE3  LYS  27           2HE      LYS  27   2.320   8.950   7.352
  218    HZ1  LYS  27           3HZ      LYS  27   2.551  11.342   7.700
  219    HZ2  LYS  27           1HZ      LYS  27   1.900  11.678   6.244
  220    HZ3  LYS  27           2HZ      LYS  27   3.347  10.920   6.340
  221    H    HIS  28           H        HIS  28   1.654   4.340   3.546
  222    HA   HIS  28           HA       HIS  28   3.787   4.002   5.416
  223    HB2  HIS  28           1HB      HIS  28   2.207   2.249   5.185
  224    HB3  HIS  28           2HB      HIS  28   2.437   2.134   3.446
  225    HD1  HIS  28           1HD      HIS  28   4.441   1.339   6.660
  226    HD2  HIS  28           2HD      HIS  28   4.318   0.524   2.540
  227    HE1  HIS  28           1HE      HIS  28   6.184  -0.452   6.260
  228    H    ILE  29           H        ILE  29   3.856   3.716   1.820
  229    HA   ILE  29           HA       ILE  29   6.610   2.988   1.664
  230    HB   ILE  29           HB       ILE  29   4.742   4.273  -0.357
  231   HG12  ILE  29          1HG1      ILE  29   5.888   1.440  -0.190
  232   HG13  ILE  29          2HG1      ILE  29   4.321   1.887   0.456
  233   HG21  ILE  29          1HG2      ILE  29   7.059   4.891  -0.973
  234   HG22  ILE  29          2HG2      ILE  29   7.563   3.191  -0.811
  235   HG23  ILE  29          3HG2      ILE  29   6.438   3.697  -2.089
  236   HD11  ILE  29          3HD1      ILE  29   5.121   1.956  -2.478
  237   HD12  ILE  29          1HD1      ILE  29   3.991   0.858  -1.688
  238   HD13  ILE  29          2HD1      ILE  29   3.582   2.581  -1.834
  239    H    ARG  30           H        ARG  30   5.113   6.258   1.429
  240    HA   ARG  30           HA       ARG  30   7.639   7.649   1.176
  241    HB2  ARG  30           1HB      ARG  30   4.872   8.538   2.107
  242    HB3  ARG  30           2HB      ARG  30   6.235   9.644   1.882
  243    HG2  ARG  30           1HG      ARG  30   6.408   9.053  -0.490
  244    HG3  ARG  30           2HG      ARG  30   5.092   7.876  -0.328
  245    HD2  ARG  30           1HD      ARG  30   3.545   9.684   0.339
  246    HD3  ARG  30           2HD      ARG  30   4.856  10.872   0.166
  247    HE   ARG  30           HE       ARG  30   4.698   9.489  -2.281
  248   HH11  ARG  30          2HH1      ARG  30   2.611  11.657  -0.486
  249   HH12  ARG  30          1HH1      ARG  30   1.811  12.225  -1.926
  250   HH21  ARG  30          2HH2      ARG  30   3.640  10.262  -4.078
  251   HH22  ARG  30          1HH2      ARG  30   2.388  11.454  -3.903
  252    H    ASP  31           H        ASP  31   5.917   6.532   4.055
  253    HA   ASP  31           HA       ASP  31   7.632   8.051   5.865
  254    HB2  ASP  31           1HB      ASP  31   5.264   7.500   6.336
  255    HB3  ASP  31           2HB      ASP  31   5.688   5.787   6.426
  256    H    MET  32           H        MET  32   7.564   4.634   4.763
  257    HA   MET  32           HA       MET  32   9.878   4.042   6.552
  258    HB2  MET  32           1HB      MET  32   7.856   2.149   5.308
  259    HB3  MET  32           2HB      MET  32   9.165   1.725   6.414
  260    HG2  MET  32           1HG      MET  32   8.098   3.475   8.026
  261    HG3  MET  32           2HG      MET  32   6.686   3.353   6.976
  262    HE1  MET  32           3HE      MET  32   8.894   1.738   9.722
  263    HE2  MET  32           1HE      MET  32   8.318   0.059   9.803
  264    HE3  MET  32           2HE      MET  32   9.274   0.599   8.409
  265    H    HIS  33           H        HIS  33   9.273   4.267   3.125
  266    HA   HIS  33           HA       HIS  33  11.826   2.765   2.601
  267    HB2  HIS  33           1HB      HIS  33   9.323   2.776   0.886
  268    HB3  HIS  33           2HB      HIS  33  10.814   1.898   0.569
  269    HD1  HIS  33           1HD      HIS  33  11.340   0.344   3.193
  270    HD2  HIS  33           2HD      HIS  33   7.539   1.034   1.550
  271    HE1  HIS  33           1HE      HIS  33   9.839  -1.475   4.136
  272    H    ASP  34           H        ASP  34   9.673   5.304   1.350
  273    HA   ASP  34           HA       ASP  34   9.916   6.908  -0.224
  274    HB2  ASP  34           1HB      ASP  34  10.647   7.913   1.860
  275    HB3  ASP  34           2HB      ASP  34  12.322   7.508   1.500
  276    HA   PRO  35           HA       PRO  35  12.981   4.813  -3.042
  277    HB2  PRO  35           1HB      PRO  35  11.304   4.516  -5.202
  278    HB3  PRO  35           2HB      PRO  35  11.413   3.342  -3.852
  279    HG2  PRO  35           1HG      PRO  35   9.401   5.592  -4.204
  280    HG3  PRO  35           2HG      PRO  35   9.073   3.875  -3.809
  281    HD2  PRO  35           1HD      PRO  35   9.188   5.759  -1.880
  282    HD3  PRO  35           2HD      PRO  35   9.885   4.135  -1.595
  283    H    GLN  36           H        GLN  36  14.209   5.854  -4.577
  284    HA   GLN  36           HA       GLN  36  13.368   8.396  -5.789
  285    HB2  GLN  36           1HB      GLN  36  15.863   8.087  -4.057
  286    HB3  GLN  36           2HB      GLN  36  15.489   9.467  -5.097
  287    HG2  GLN  36           1HG      GLN  36  13.456   9.938  -3.712
  288    HG3  GLN  36           2HG      GLN  36  13.894   8.596  -2.653
  289   HE21  GLN  36          1HE2      GLN  36  13.929  10.237  -0.859
  290   HE22  GLN  36          2HE2      GLN  36  15.368  11.245  -0.726
  291    H    ASP  37           H        ASP  37  14.405   8.801  -7.649
  292    HA   ASP  37           HA       ASP  37  16.634   7.125  -8.668
  293    HB2  ASP  37           1HB      ASP  37  14.580   5.963  -9.365
  294    HB3  ASP  37           2HB      ASP  37  13.963   7.442 -10.093
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  -3.934 -14.013 -20.602
    2    H2   GLY   1           2H       GLY   1  -3.339 -14.508 -19.158
    3    H3   GLY   1           3H       GLY   1  -2.898 -13.055 -19.768
    4    HA2  GLY   1           1HA      GLY   1  -5.136 -12.208 -19.561
    5    HA3  GLY   1           2HA      GLY   1  -5.627 -13.785 -18.918
    6    H    SER   2           H        SER   2  -5.886 -11.212 -17.614
    7    HA   SER   2           HA       SER   2  -3.879 -10.789 -15.622
    8    HB2  SER   2           1HB      SER   2  -6.819 -10.014 -15.584
    9    HB3  SER   2           2HB      SER   2  -5.537  -9.330 -14.566
   10    HG   SER   2           HG       SER   2  -5.977  -8.031 -16.421
   11    H    SER   3           H        SER   3  -3.918 -11.133 -13.369
   12    HA   SER   3           HA       SER   3  -5.805 -13.074 -12.180
   13    HB2  SER   3           1HB      SER   3  -4.067 -14.584 -11.459
   14    HB3  SER   3           2HB      SER   3  -3.960 -14.414 -13.214
   15    HG   SER   3           HG       SER   3  -1.902 -14.251 -12.276
   16    H    GLY   4           H        GLY   4  -5.047 -13.452  -9.755
   17    HA2  GLY   4           1HA      GLY   4  -5.151 -11.007  -8.339
   18    HA3  GLY   4           2HA      GLY   4  -4.669 -12.566  -7.661
   19    H    SER   5           H        SER   5  -2.331 -12.754  -9.545
   20    HA   SER   5           HA       SER   5  -0.277 -11.519  -8.006
   21    HB2  SER   5           1HB      SER   5  -0.158 -12.617 -10.839
   22    HB3  SER   5           2HB      SER   5   1.221 -12.326  -9.763
   23    HG   SER   5           HG       SER   5   0.536 -14.526  -9.730
   24    H    SER   6           H        SER   6  -2.242 -10.113 -10.506
   25    HA   SER   6           HA       SER   6  -0.387  -7.988 -11.235
   26    HB2  SER   6           1HB      SER   6  -3.403  -8.162 -11.561
   27    HB3  SER   6           2HB      SER   6  -2.333  -6.964 -12.310
   28    HG   SER   6           HG       SER   6  -2.673  -8.585 -13.792
   29    H    GLY   7           H        GLY   7  -1.714  -8.559  -8.269
   30    HA2  GLY   7           1HA      GLY   7  -1.511  -7.177  -6.394
   31    HA3  GLY   7           2HA      GLY   7  -1.368  -5.749  -7.419
   32    H    ILE   8           H        ILE   8  -3.874  -8.308  -7.096
   33    HA   ILE   8           HA       ILE   8  -6.056  -6.532  -7.515
   34    HB   ILE   8           HB       ILE   8  -5.994  -8.944  -8.011
   35   HG12  ILE   8          1HG1      ILE   8  -8.378  -8.213  -6.270
   36   HG13  ILE   8          2HG1      ILE   8  -8.103  -7.597  -7.904
   37   HG21  ILE   8          1HG2      ILE   8  -6.416 -10.638  -6.302
   38   HG22  ILE   8          2HG2      ILE   8  -4.974  -9.735  -5.845
   39   HG23  ILE   8          3HG2      ILE   8  -6.520  -9.409  -5.036
   40   HD11  ILE   8          3HD1      ILE   8  -8.545 -10.511  -7.134
   41   HD12  ILE   8          1HD1      ILE   8  -9.650  -9.446  -8.016
   42   HD13  ILE   8          2HD1      ILE   8  -8.121  -9.946  -8.770
   43    H    LYS   9           H        LYS   9  -4.396  -7.296  -4.575
   44    HA   LYS   9           HA       LYS   9  -6.146  -5.409  -3.062
   45    HB2  LYS   9           1HB      LYS   9  -4.972  -8.021  -2.020
   46    HB3  LYS   9           2HB      LYS   9  -5.611  -6.735  -0.987
   47    HG2  LYS   9           1HG      LYS   9  -7.834  -6.935  -2.063
   48    HG3  LYS   9           2HG      LYS   9  -7.216  -8.194  -3.132
   49    HD2  LYS   9           1HD      LYS   9  -8.454  -9.251  -1.389
   50    HD3  LYS   9           2HD      LYS   9  -6.744  -9.642  -1.161
   51    HE2  LYS   9           1HE      LYS   9  -6.574  -7.923   0.614
   52    HE3  LYS   9           2HE      LYS   9  -8.253  -7.440   0.329
   53    HZ1  LYS   9           3HZ      LYS   9  -8.077  -8.962   2.215
   54    HZ2  LYS   9           1HZ      LYS   9  -7.401 -10.123   1.287
   55    HZ3  LYS   9           2HZ      LYS   9  -8.948  -9.665   1.030
   56    H    GLN  10           H        GLN  10  -5.043  -4.233  -1.392
   57    HA   GLN  10           HA       GLN  10  -2.574  -3.177  -2.486
   58    HB2  GLN  10           1HB      GLN  10  -3.870  -2.401   0.142
   59    HB3  GLN  10           2HB      GLN  10  -2.705  -1.493  -0.774
   60    HG2  GLN  10           1HG      GLN  10  -4.771  -0.431  -1.090
   61    HG3  GLN  10           2HG      GLN  10  -4.394  -1.226  -2.618
   62   HE21  GLN  10          1HE2      GLN  10  -5.976  -2.424   0.484
   63   HE22  GLN  10          2HE2      GLN  10  -7.444  -2.902  -0.356
   64    H    HIS  11           H        HIS  11  -0.568  -3.914  -2.074
   65    HA   HIS  11           HA       HIS  11   0.168  -4.431   0.713
   66    HB2  HIS  11           1HB      HIS  11   1.375  -6.460   0.282
   67    HB3  HIS  11           2HB      HIS  11  -0.299  -6.680  -0.208
   68    HD1  HIS  11           1HD      HIS  11   3.211  -6.204  -1.788
   69    HD2  HIS  11           2HD      HIS  11  -0.750  -7.256  -2.783
   70    HE1  HIS  11           1HE      HIS  11   3.284  -7.120  -4.169
   71    H    CYS  12           H        CYS  12   2.336  -4.143   1.214
   72    HA   CYS  12           HA       CYS  12   3.822  -2.164  -0.208
   73    HB2  CYS  12           1HB      CYS  12   3.874  -2.550   2.211
   74    HB3  CYS  12           2HB      CYS  12   4.639  -4.125   1.950
   75    H    ARG  13           H        ARG  13   5.692  -2.288  -1.324
   76    HA   ARG  13           HA       ARG  13   6.234  -4.730  -2.947
   77    HB2  ARG  13           1HB      ARG  13   5.880  -2.533  -4.026
   78    HB3  ARG  13           2HB      ARG  13   7.247  -1.859  -3.141
   79    HG2  ARG  13           1HG      ARG  13   8.795  -3.387  -4.304
   80    HG3  ARG  13           2HG      ARG  13   7.442  -4.145  -5.160
   81    HD2  ARG  13           1HD      ARG  13   8.232  -1.204  -5.346
   82    HD3  ARG  13           2HD      ARG  13   8.732  -2.456  -6.495
   83    HE   ARG  13           HE       ARG  13   5.934  -2.607  -6.388
   84   HH11  ARG  13          2HH1      ARG  13   8.262  -0.203  -7.423
   85   HH12  ARG  13          1HH1      ARG  13   7.160   0.504  -8.572
   86   HH21  ARG  13          2HH2      ARG  13   4.574  -1.653  -7.867
   87   HH22  ARG  13          1HH2      ARG  13   5.128  -0.306  -8.814
   88    H    PHE  14           H        PHE  14   7.562  -2.979  -0.265
   89    HA   PHE  14           HA       PHE  14  10.270  -4.184  -0.640
   90    HB2  PHE  14           1HB      PHE  14   9.432  -1.816   1.041
   91    HB3  PHE  14           2HB      PHE  14  11.070  -2.310   0.651
   92    HD1  PHE  14           2HD      PHE  14  11.887  -2.128  -1.758
   93    HD2  PHE  14           1HD      PHE  14   8.137  -0.441  -0.457
   94    HE1  PHE  14           2HE      PHE  14  11.826  -0.691  -3.784
   95    HE2  PHE  14           1HE      PHE  14   8.085   0.999  -2.480
   96    HZ   PHE  14           HZ       PHE  14   9.929   0.878  -4.145
   97    H    CYS  15           H        CYS  15   7.631  -4.027   1.714
   98    HA   CYS  15           HA       CYS  15   9.040  -6.090   3.318
   99    HB2  CYS  15           1HB      CYS  15   8.577  -5.078   5.379
  100    HB3  CYS  15           2HB      CYS  15   9.373  -3.887   4.369
  101    H    LYS  16           H        LYS  16   6.551  -5.682   1.433
  102    HA   LYS  16           HA       LYS  16   4.678  -6.811   0.910
  103    HB2  LYS  16           1HB      LYS  16   5.839  -9.044   2.580
  104    HB3  LYS  16           2HB      LYS  16   4.775  -9.187   1.187
  105    HG2  LYS  16           1HG      LYS  16   7.679  -8.268   1.164
  106    HG3  LYS  16           2HG      LYS  16   7.030  -9.802   0.595
  107    HD2  LYS  16           1HD      LYS  16   5.747  -8.591  -1.189
  108    HD3  LYS  16           2HD      LYS  16   6.424  -7.067  -0.607
  109    HE2  LYS  16           1HE      LYS  16   7.705  -7.682  -2.501
  110    HE3  LYS  16           2HE      LYS  16   8.724  -7.893  -1.076
  111    HZ1  LYS  16           3HZ      LYS  16   7.301 -10.090  -2.497
  112    HZ2  LYS  16           1HZ      LYS  16   8.280 -10.293  -1.201
  113    HZ3  LYS  16           2HZ      LYS  16   8.896  -9.774  -2.618
  114    H    LYS  17           H        LYS  17   4.502  -5.457   3.735
  115    HA   LYS  17           HA       LYS  17   2.320  -6.806   5.054
  116    HB2  LYS  17           1HB      LYS  17   3.127  -3.872   5.074
  117    HB3  LYS  17           2HB      LYS  17   1.946  -4.623   6.164
  118    HG2  LYS  17           1HG      LYS  17   3.660  -6.029   7.169
  119    HG3  LYS  17           2HG      LYS  17   4.847  -5.528   5.955
  120    HD2  LYS  17           1HD      LYS  17   4.658  -3.162   6.792
  121    HD3  LYS  17           2HD      LYS  17   3.581  -3.737   8.068
  122    HE2  LYS  17           1HE      LYS  17   5.858  -3.459   8.907
  123    HE3  LYS  17           2HE      LYS  17   5.372  -5.155   8.988
  124    HZ1  LYS  17           3HZ      LYS  17   6.979  -4.049   6.736
  125    HZ2  LYS  17           1HZ      LYS  17   6.702  -5.615   7.059
  126    HZ3  LYS  17           2HZ      LYS  17   7.658  -4.748   8.065
  127    H    LYS  18           H        LYS  18   0.137  -6.336   5.094
  128    HA   LYS  18           HA       LYS  18  -1.065  -5.442   2.528
  129    HB2  LYS  18           1HB      LYS  18  -2.090  -6.945   4.950
  130    HB3  LYS  18           2HB      LYS  18  -3.133  -6.466   3.594
  131    HG2  LYS  18           1HG      LYS  18  -1.725  -7.749   2.019
  132    HG3  LYS  18           2HG      LYS  18  -0.680  -8.274   3.342
  133    HD2  LYS  18           1HD      LYS  18  -3.655  -8.904   3.108
  134    HD3  LYS  18           2HD      LYS  18  -2.338  -9.989   2.639
  135    HE2  LYS  18           1HE      LYS  18  -1.476  -9.948   4.983
  136    HE3  LYS  18           2HE      LYS  18  -2.840  -8.926   5.457
  137    HZ1  LYS  18           3HZ      LYS  18  -3.284 -11.265   5.923
  138    HZ2  LYS  18           1HZ      LYS  18  -3.078 -11.678   4.359
  139    HZ3  LYS  18           2HZ      LYS  18  -4.339 -10.733   4.800
  140    H    TYR  19           H        TYR  19  -2.698  -3.921   2.350
  141    HA   TYR  19           HA       TYR  19  -3.218  -2.141   4.689
  142    HB2  TYR  19           1HB      TYR  19  -2.052  -1.346   2.012
  143    HB3  TYR  19           2HB      TYR  19  -2.946  -0.196   3.001
  144    HD1  TYR  19           1HD      TYR  19  -2.241   0.303   5.352
  145    HD2  TYR  19           2HD      TYR  19   0.230  -1.995   2.659
  146    HE1  TYR  19           1HE      TYR  19  -0.325   0.509   6.929
  147    HE2  TYR  19           2HE      TYR  19   2.146  -1.769   4.229
  148    HH   TYR  19           HH       TYR  19   2.842  -1.000   6.279
  149    H    SER  20           H        SER  20  -5.018  -0.821   4.655
  150    HA   SER  20           HA       SER  20  -7.352  -2.127   3.576
  151    HB2  SER  20           1HB      SER  20  -8.526  -0.332   4.873
  152    HB3  SER  20           2HB      SER  20  -7.359  -1.277   5.812
  153    HG   SER  20           HG       SER  20  -7.114   0.931   6.234
  154    H    ASP  21           H        ASP  21  -5.499   0.635   2.513
  155    HA   ASP  21           HA       ASP  21  -7.285   1.089   0.221
  156    HB2  ASP  21           1HB      ASP  21  -8.184   2.498   2.125
  157    HB3  ASP  21           2HB      ASP  21  -6.632   3.330   2.186
  158    H    VAL  22           H        VAL  22  -6.255   2.330  -1.475
  159    HA   VAL  22           HA       VAL  22  -3.463   1.889  -1.777
  160    HB   VAL  22           HB       VAL  22  -5.159   2.194  -3.578
  161   HG11  VAL  22          1HG1      VAL  22  -4.722   5.179  -3.279
  162   HG12  VAL  22          2HG1      VAL  22  -5.679   4.340  -4.508
  163   HG13  VAL  22          3HG1      VAL  22  -6.212   4.317  -2.821
  164   HG21  VAL  22          3HG2      VAL  22  -2.747   2.093  -4.041
  165   HG22  VAL  22          1HG2      VAL  22  -3.604   3.128  -5.195
  166   HG23  VAL  22          2HG2      VAL  22  -2.648   3.859  -3.892
  167    H    LYS  23           H        LYS  23  -5.215   4.724  -0.505
  168    HA   LYS  23           HA       LYS  23  -2.893   6.414  -0.631
  169    HB2  LYS  23           1HB      LYS  23  -5.450   6.670   1.018
  170    HB3  LYS  23           2HB      LYS  23  -4.199   7.915   0.911
  171    HG2  LYS  23           1HG      LYS  23  -4.538   8.108  -1.525
  172    HG3  LYS  23           2HG      LYS  23  -5.737   6.811  -1.484
  173    HD2  LYS  23           1HD      LYS  23  -6.891   8.909  -1.608
  174    HD3  LYS  23           2HD      LYS  23  -7.194   8.185  -0.022
  175    HE2  LYS  23           1HE      LYS  23  -5.486   9.680   0.990
  176    HE3  LYS  23           2HE      LYS  23  -5.131  10.364  -0.602
  177    HZ1  LYS  23           3HZ      LYS  23  -7.753  10.556   0.789
  178    HZ2  LYS  23           1HZ      LYS  23  -7.423  11.192  -0.680
  179    HZ3  LYS  23           2HZ      LYS  23  -6.672  11.768   0.646
  180    H    ASN  24           H        ASN  24  -4.152   4.205   1.816
  181    HA   ASN  24           HA       ASN  24  -2.230   4.911   3.893
  182    HB2  ASN  24           1HB      ASN  24  -4.064   2.519   3.461
  183    HB3  ASN  24           2HB      ASN  24  -2.962   2.650   4.828
  184   HD21  ASN  24          1HD2      ASN  24  -5.870   2.487   5.015
  185   HD22  ASN  24          2HD2      ASN  24  -6.346   3.993   5.782
  186    H    LEU  25           H        LEU  25  -2.274   2.483   1.256
  187    HA   LEU  25           HA       LEU  25   0.272   1.325   1.860
  188    HB2  LEU  25           1HB      LEU  25  -1.289   0.263   0.345
  189    HB3  LEU  25           2HB      LEU  25  -1.280   1.651  -0.736
  190    HG   LEU  25           HG       LEU  25   1.074   1.238  -1.329
  191   HD11  LEU  25          1HD1      LEU  25   0.811  -1.224   0.451
  192   HD12  LEU  25          2HD1      LEU  25   1.893   0.157   0.737
  193   HD13  LEU  25          3HD1      LEU  25   2.149  -0.877  -0.666
  194   HD21  LEU  25          3HD2      LEU  25   0.736  -0.760  -2.646
  195   HD22  LEU  25          1HD2      LEU  25  -0.766   0.180  -2.621
  196   HD23  LEU  25          2HD2      LEU  25  -0.604  -1.277  -1.610
  197    H    ILE  26           H        ILE  26  -0.528   4.086  -0.345
  198    HA   ILE  26           HA       ILE  26   2.205   4.628  -1.024
  199    HB   ILE  26           HB       ILE  26  -0.305   6.329  -1.146
  200   HG12  ILE  26          1HG1      ILE  26   1.372   5.014  -3.344
  201   HG13  ILE  26          2HG1      ILE  26  -0.033   4.247  -2.621
  202   HG21  ILE  26          1HG2      ILE  26   1.590   7.887  -0.968
  203   HG22  ILE  26          2HG2      ILE  26   2.482   6.985  -2.217
  204   HG23  ILE  26          3HG2      ILE  26   1.001   7.883  -2.616
  205   HD11  ILE  26          3HD1      ILE  26  -0.055   6.810  -4.254
  206   HD12  ILE  26          1HD1      ILE  26  -0.709   5.230  -4.695
  207   HD13  ILE  26          2HD1      ILE  26  -1.461   6.155  -3.379
  208    H    LYS  27           H        LYS  27   0.159   5.991   1.591
  209    HA   LYS  27           HA       LYS  27   2.078   7.747   2.749
  210    HB2  LYS  27           1HB      LYS  27  -0.287   7.745   3.293
  211    HB3  LYS  27           2HB      LYS  27  -0.174   6.104   3.945
  212    HG2  LYS  27           1HG      LYS  27   1.144   6.869   5.835
  213    HG3  LYS  27           2HG      LYS  27   1.305   8.486   5.130
  214    HD2  LYS  27           1HD      LYS  27  -0.387   8.395   6.955
  215    HD3  LYS  27           2HD      LYS  27  -1.065   8.924   5.407
  216    HE2  LYS  27           1HE      LYS  27  -1.926   6.634   4.996
  217    HE3  LYS  27           2HE      LYS  27  -1.265   6.092   6.544
  218    HZ1  LYS  27           3HZ      LYS  27  -3.321   8.222   6.252
  219    HZ2  LYS  27           1HZ      LYS  27  -2.812   7.562   7.661
  220    HZ3  LYS  27           2HZ      LYS  27  -3.658   6.661   6.577
  221    H    HIS  28           H        HIS  28   1.590   4.230   3.381
  222    HA   HIS  28           HA       HIS  28   3.713   3.943   5.272
  223    HB2  HIS  28           1HB      HIS  28   2.112   2.191   5.049
  224    HB3  HIS  28           2HB      HIS  28   2.385   2.032   3.321
  225    HD1  HIS  28           1HD      HIS  28   4.335   1.368   6.597
  226    HD2  HIS  28           2HD      HIS  28   4.216   0.338   2.520
  227    HE1  HIS  28           1HE      HIS  28   6.033  -0.483   6.310
  228    H    ILE  29           H        ILE  29   3.785   3.539   1.686
  229    HA   ILE  29           HA       ILE  29   6.567   2.889   1.550
  230    HB   ILE  29           HB       ILE  29   4.689   4.079  -0.509
  231   HG12  ILE  29          1HG1      ILE  29   5.747   1.221  -0.338
  232   HG13  ILE  29          2HG1      ILE  29   4.254   1.703   0.446
  233   HG21  ILE  29          1HG2      ILE  29   6.347   3.358  -2.223
  234   HG22  ILE  29          2HG2      ILE  29   7.027   4.586  -1.172
  235   HG23  ILE  29          3HG2      ILE  29   7.461   2.880  -0.930
  236   HD11  ILE  29          3HD1      ILE  29   3.324   2.447  -1.749
  237   HD12  ILE  29          1HD1      ILE  29   4.782   1.811  -2.548
  238   HD13  ILE  29          2HD1      ILE  29   3.708   0.715  -1.675
  239    H    ARG  30           H        ARG  30   4.941   6.079   1.312
  240    HA   ARG  30           HA       ARG  30   7.389   7.586   0.951
  241    HB2  ARG  30           1HB      ARG  30   4.588   8.363   1.853
  242    HB3  ARG  30           2HB      ARG  30   5.898   9.529   1.620
  243    HG2  ARG  30           1HG      ARG  30   6.128   8.886  -0.743
  244    HG3  ARG  30           2HG      ARG  30   4.883   7.649  -0.561
  245    HD2  ARG  30           1HD      ARG  30   3.849   9.556  -1.588
  246    HD3  ARG  30           2HD      ARG  30   3.232   9.409   0.052
  247    HE   ARG  30           HE       ARG  30   4.230  11.423   0.641
  248   HH11  ARG  30          2HH1      ARG  30   5.484  10.562  -2.521
  249   HH12  ARG  30          1HH1      ARG  30   6.229  12.121  -2.743
  250   HH21  ARG  30          2HH2      ARG  30   5.212  13.377   0.289
  251   HH22  ARG  30          1HH2      ARG  30   6.075  13.665  -1.193
  252    H    ASP  31           H        ASP  31   5.932   6.291   3.847
  253    HA   ASP  31           HA       ASP  31   7.559   8.001   5.612
  254    HB2  ASP  31           1HB      ASP  31   5.238   7.372   6.173
  255    HB3  ASP  31           2HB      ASP  31   5.718   5.673   6.246
  256    H    MET  32           H        MET  32   7.579   4.574   4.553
  257    HA   MET  32           HA       MET  32  10.020   4.098   6.210
  258    HB2  MET  32           1HB      MET  32   8.011   2.120   5.078
  259    HB3  MET  32           2HB      MET  32   9.402   1.746   6.099
  260    HG2  MET  32           1HG      MET  32   8.361   3.419   7.799
  261    HG3  MET  32           2HG      MET  32   6.896   3.272   6.824
  262    HE1  MET  32           3HE      MET  32   8.779  -0.030   9.479
  263    HE2  MET  32           1HE      MET  32   9.643   0.572   8.052
  264    HE3  MET  32           2HE      MET  32   9.298   1.667   9.409
  265    H    HIS  33           H        HIS  33   9.146   4.236   2.828
  266    HA   HIS  33           HA       HIS  33  11.706   2.896   2.072
  267    HB2  HIS  33           1HB      HIS  33   9.059   2.433   0.684
  268    HB3  HIS  33           2HB      HIS  33  10.576   1.580   0.422
  269    HD1  HIS  33           1HD      HIS  33  11.315   0.421   3.168
  270    HD2  HIS  33           2HD      HIS  33   7.383   0.871   1.763
  271    HE1  HIS  33           1HE      HIS  33   9.925  -1.275   4.459
  272    H    ASP  34           H        ASP  34  10.946   5.806   2.118
  273    HA   ASP  34           HA       ASP  34  10.245   6.713  -0.442
  274    HB2  ASP  34           1HB      ASP  34  10.927   8.899   0.266
  275    HB3  ASP  34           2HB      ASP  34  10.020   8.074   1.521
  276    HA   PRO  35           HA       PRO  35  14.019   6.064  -2.781
  277    HB2  PRO  35           1HB      PRO  35  12.888   8.261  -4.520
  278    HB3  PRO  35           2HB      PRO  35  13.595   6.686  -5.002
  279    HG2  PRO  35           1HG      PRO  35  10.909   7.008  -4.958
  280    HG3  PRO  35           2HG      PRO  35  11.637   5.509  -4.289
  281    HD2  PRO  35           1HD      PRO  35  10.668   7.957  -2.784
  282    HD3  PRO  35           2HD      PRO  35  10.401   6.222  -2.443
  283    H    GLN  36           H        GLN  36  16.054   6.897  -2.732
  284    HA   GLN  36           HA       GLN  36  16.603   9.763  -2.424
  285    HB2  GLN  36           1HB      GLN  36  17.569   7.668  -0.424
  286    HB3  GLN  36           2HB      GLN  36  18.159   9.332  -0.539
  287    HG2  GLN  36           1HG      GLN  36  15.856  10.164  -0.022
  288    HG3  GLN  36           2HG      GLN  36  15.318   8.494   0.164
  289   HE21  GLN  36          1HE2      GLN  36  14.642   9.310   2.330
  290   HE22  GLN  36          2HE2      GLN  36  15.864   9.300   3.613
  291    H    ASP  37           H        ASP  37  18.497  10.316  -3.302
  292    HA   ASP  37           HA       ASP  37  20.535   8.342  -4.167
  293    HB2  ASP  37           1HB      ASP  37  18.945   8.482  -6.044
  294    HB3  ASP  37           2HB      ASP  37  19.104  10.235  -6.074
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1 -14.344 -10.748   5.251
    2    H2   GLY   1           2H       GLY   1 -13.253 -10.896   4.037
    3    H3   GLY   1           3H       GLY   1 -14.741 -10.281   3.732
    4    HA2  GLY   1           1HA      GLY   1 -14.292  -8.349   5.105
    5    HA3  GLY   1           2HA      GLY   1 -12.686  -9.021   5.435
    6    H    SER   2           H        SER   2 -14.394  -6.906   3.484
    7    HA   SER   2           HA       SER   2 -12.387  -6.944   1.258
    8    HB2  SER   2           1HB      SER   2 -15.406  -6.675   0.995
    9    HB3  SER   2           2HB      SER   2 -14.224  -6.607  -0.321
   10    HG   SER   2           HG       SER   2 -15.203  -8.685  -0.107
   11    H    SER   3           H        SER   3 -11.979  -4.955   0.250
   12    HA   SER   3           HA       SER   3 -13.167  -2.488   1.457
   13    HB2  SER   3           1HB      SER   3 -10.187  -3.007   1.166
   14    HB3  SER   3           2HB      SER   3 -10.951  -1.513   1.744
   15    HG   SER   3           HG       SER   3 -11.847  -2.733   3.477
   16    H    GLY   4           H        GLY   4 -13.150  -0.637   0.212
   17    HA2  GLY   4           1HA      GLY   4 -13.096   0.663  -1.706
   18    HA3  GLY   4           2HA      GLY   4 -11.928  -0.444  -2.420
   19    H    SER   5           H        SER   5 -13.493   0.378  -4.259
   20    HA   SER   5           HA       SER   5 -16.121  -0.759  -4.479
   21    HB2  SER   5           1HB      SER   5 -15.967   0.021  -6.835
   22    HB3  SER   5           2HB      SER   5 -15.553   1.264  -5.642
   23    HG   SER   5           HG       SER   5 -14.053   1.189  -7.393
   24    H    SER   6           H        SER   6 -12.954  -2.001  -5.423
   25    HA   SER   6           HA       SER   6 -14.042  -4.284  -6.930
   26    HB2  SER   6           1HB      SER   6 -11.675  -4.890  -7.171
   27    HB3  SER   6           2HB      SER   6 -11.949  -3.192  -7.604
   28    HG   SER   6           HG       SER   6 -10.167  -3.271  -6.259
   29    H    GLY   7           H        GLY   7 -13.341  -3.596  -3.623
   30    HA2  GLY   7           1HA      GLY   7 -13.536  -4.908  -1.728
   31    HA3  GLY   7           2HA      GLY   7 -13.753  -6.351  -2.718
   32    H    ILE   8           H        ILE   8 -11.009  -4.950  -3.956
   33    HA   ILE   8           HA       ILE   8  -9.406  -7.107  -2.862
   34    HB   ILE   8           HB       ILE   8  -8.818  -4.986  -4.950
   35   HG12  ILE   8          1HG1      ILE   8  -9.525  -7.950  -5.231
   36   HG13  ILE   8          2HG1      ILE   8 -10.648  -6.622  -5.495
   37   HG21  ILE   8          1HG2      ILE   8  -6.899  -6.421  -5.632
   38   HG22  ILE   8          2HG2      ILE   8  -6.691  -5.751  -4.037
   39   HG23  ILE   8          3HG2      ILE   8  -7.182  -7.455  -4.215
   40   HD11  ILE   8          3HD1      ILE   8  -9.171  -5.773  -7.344
   41   HD12  ILE   8          1HD1      ILE   8  -8.230  -7.280  -7.197
   42   HD13  ILE   8          2HD1      ILE   8  -9.940  -7.345  -7.633
   43    H    LYS   9           H        LYS   9  -7.658  -7.085  -1.584
   44    HA   LYS   9           HA       LYS   9  -6.956  -4.656  -0.034
   45    HB2  LYS   9           1HB      LYS   9  -5.990  -7.535   0.172
   46    HB3  LYS   9           2HB      LYS   9  -5.480  -6.227   1.230
   47    HG2  LYS   9           1HG      LYS   9  -8.330  -7.292   1.001
   48    HG3  LYS   9           2HG      LYS   9  -7.160  -7.675   2.265
   49    HD2  LYS   9           1HD      LYS   9  -7.080  -5.190   2.833
   50    HD3  LYS   9           2HD      LYS   9  -8.466  -4.976   1.734
   51    HE2  LYS   9           1HE      LYS   9  -9.734  -6.681   3.057
   52    HE3  LYS   9           2HE      LYS   9  -8.353  -6.845   4.147
   53    HZ1  LYS   9           3HZ      LYS   9  -9.983  -4.387   3.762
   54    HZ2  LYS   9           1HZ      LYS   9  -8.640  -4.428   4.678
   55    HZ3  LYS   9           2HZ      LYS   9  -9.943  -5.321   5.100
   56    H    GLN  10           H        GLN  10  -4.987  -3.754   0.068
   57    HA   GLN  10           HA       GLN  10  -3.242  -3.962  -2.347
   58    HB2  GLN  10           1HB      GLN  10  -3.926  -1.779  -0.346
   59    HB3  GLN  10           2HB      GLN  10  -2.481  -1.676  -1.332
   60    HG2  GLN  10           1HG      GLN  10  -4.409  -0.422  -2.272
   61    HG3  GLN  10           2HG      GLN  10  -3.696  -1.597  -3.373
   62   HE21  GLN  10          1HE2      GLN  10  -6.470  -1.340  -0.995
   63   HE22  GLN  10          2HE2      GLN  10  -7.479  -2.437  -1.939
   64    H    HIS  11           H        HIS  11  -0.849  -3.809  -2.002
   65    HA   HIS  11           HA       HIS  11   0.069  -4.425   0.720
   66    HB2  HIS  11           1HB      HIS  11   1.223  -6.437   0.187
   67    HB3  HIS  11           2HB      HIS  11  -0.453  -6.637  -0.291
   68    HD1  HIS  11           1HD      HIS  11   3.057  -6.246  -1.824
   69    HD2  HIS  11           2HD      HIS  11  -0.939  -7.004  -2.926
   70    HE1  HIS  11           1HE      HIS  11   3.119  -7.034  -4.251
   71    H    CYS  12           H        CYS  12   2.249  -4.206   1.146
   72    HA   CYS  12           HA       CYS  12   3.759  -2.248  -0.372
   73    HB2  CYS  12           1HB      CYS  12   3.791  -2.465   2.085
   74    HB3  CYS  12           2HB      CYS  12   4.537  -4.065   1.929
   75    H    ARG  13           H        ARG  13   5.602  -2.531  -1.526
   76    HA   ARG  13           HA       ARG  13   6.132  -5.240  -2.694
   77    HB2  ARG  13           1HB      ARG  13   7.168  -4.149  -4.544
   78    HB3  ARG  13           2HB      ARG  13   5.576  -3.438  -4.284
   79    HG2  ARG  13           1HG      ARG  13   6.638  -1.500  -3.124
   80    HG3  ARG  13           2HG      ARG  13   8.234  -2.207  -3.410
   81    HD2  ARG  13           1HD      ARG  13   6.254  -1.310  -5.541
   82    HD3  ARG  13           2HD      ARG  13   7.684  -0.418  -5.033
   83    HE   ARG  13           HE       ARG  13   7.562  -2.653  -6.878
   84   HH11  ARG  13          2HH1      ARG  13   9.791  -1.109  -4.643
   85   HH12  ARG  13          1HH1      ARG  13  11.184  -1.703  -5.503
   86   HH21  ARG  13          2HH2      ARG  13   9.385  -3.379  -7.897
   87   HH22  ARG  13          1HH2      ARG  13  10.956  -2.953  -7.287
   88    H    PHE  14           H        PHE  14   7.426  -3.094  -0.405
   89    HA   PHE  14           HA       PHE  14  10.232  -4.038  -0.767
   90    HB2  PHE  14           1HB      PHE  14   9.122  -1.865   1.010
   91    HB3  PHE  14           2HB      PHE  14  10.811  -2.186   0.694
   92    HD1  PHE  14           2HD      PHE  14  11.841  -1.527  -1.468
   93    HD2  PHE  14           1HD      PHE  14   7.725  -0.620  -0.553
   94    HE1  PHE  14           2HE      PHE  14  11.827   0.215  -3.240
   95    HE2  PHE  14           1HE      PHE  14   7.710   1.109  -2.335
   96    HZ   PHE  14           HZ       PHE  14   9.762   1.538  -3.674
   97    H    CYS  15           H        CYS  15   7.612  -3.989   1.653
   98    HA   CYS  15           HA       CYS  15   9.083  -6.018   3.252
   99    HB2  CYS  15           1HB      CYS  15   8.614  -4.952   5.292
  100    HB3  CYS  15           2HB      CYS  15   9.401  -3.792   4.235
  101    H    LYS  16           H        LYS  16   6.527  -5.729   1.419
  102    HA   LYS  16           HA       LYS  16   4.660  -6.926   1.012
  103    HB2  LYS  16           1HB      LYS  16   5.956  -9.064   2.707
  104    HB3  LYS  16           2HB      LYS  16   4.834  -9.288   1.371
  105    HG2  LYS  16           1HG      LYS  16   7.703  -8.282   1.173
  106    HG3  LYS  16           2HG      LYS  16   7.081  -9.860   0.702
  107    HD2  LYS  16           1HD      LYS  16   5.674  -8.771  -1.066
  108    HD3  LYS  16           2HD      LYS  16   6.325  -7.201  -0.585
  109    HE2  LYS  16           1HE      LYS  16   7.537  -7.864  -2.511
  110    HE3  LYS  16           2HE      LYS  16   8.627  -7.976  -1.132
  111    HZ1  LYS  16           3HZ      LYS  16   8.788  -9.920  -2.592
  112    HZ2  LYS  16           1HZ      LYS  16   7.213 -10.280  -2.380
  113    HZ3  LYS  16           2HZ      LYS  16   8.259 -10.392  -1.127
  114    H    LYS  17           H        LYS  17   4.507  -5.398   3.677
  115    HA   LYS  17           HA       LYS  17   2.382  -6.707   5.161
  116    HB2  LYS  17           1HB      LYS  17   3.169  -3.774   4.955
  117    HB3  LYS  17           2HB      LYS  17   1.993  -4.446   6.103
  118    HG2  LYS  17           1HG      LYS  17   3.712  -5.782   7.194
  119    HG3  LYS  17           2HG      LYS  17   4.895  -5.359   5.946
  120    HD2  LYS  17           1HD      LYS  17   4.704  -2.947   6.628
  121    HD3  LYS  17           2HD      LYS  17   3.628  -3.437   7.941
  122    HE2  LYS  17           1HE      LYS  17   5.912  -3.105   8.755
  123    HE3  LYS  17           2HE      LYS  17   5.418  -4.789   8.953
  124    HZ1  LYS  17           3HZ      LYS  17   7.706  -4.460   8.004
  125    HZ2  LYS  17           1HZ      LYS  17   7.027  -3.853   6.628
  126    HZ3  LYS  17           2HZ      LYS  17   6.743  -5.392   7.064
  127    H    LYS  18           H        LYS  18   0.193  -5.872   5.342
  128    HA   LYS  18           HA       LYS  18  -1.021  -5.426   2.639
  129    HB2  LYS  18           1HB      LYS  18  -1.876  -7.104   5.009
  130    HB3  LYS  18           2HB      LYS  18  -2.914  -6.791   3.598
  131    HG2  LYS  18           1HG      LYS  18  -1.197  -7.840   2.114
  132    HG3  LYS  18           2HG      LYS  18  -0.179  -8.151   3.518
  133    HD2  LYS  18           1HD      LYS  18  -1.274 -10.206   3.035
  134    HD3  LYS  18           2HD      LYS  18  -1.982  -9.562   4.509
  135    HE2  LYS  18           1HE      LYS  18  -3.780 -10.427   3.234
  136    HE3  LYS  18           2HE      LYS  18  -3.915  -8.673   3.129
  137    HZ1  LYS  18           3HZ      LYS  18  -4.200  -9.771   0.958
  138    HZ2  LYS  18           1HZ      LYS  18  -2.717 -10.431   1.043
  139    HZ3  LYS  18           2HZ      LYS  18  -2.879  -8.809   0.910
  140    H    TYR  19           H        TYR  19  -2.788  -4.186   2.375
  141    HA   TYR  19           HA       TYR  19  -3.634  -2.344   4.565
  142    HB2  TYR  19           1HB      TYR  19  -2.605  -1.560   1.804
  143    HB3  TYR  19           2HB      TYR  19  -3.311  -0.453   2.978
  144    HD1  TYR  19           1HD      TYR  19  -2.139   0.107   5.084
  145    HD2  TYR  19           2HD      TYR  19  -0.338  -2.445   2.107
  146    HE1  TYR  19           1HE      TYR  19   0.016   0.195   6.317
  147    HE2  TYR  19           2HE      TYR  19   1.818  -2.371   3.354
  148    HH   TYR  19           HH       TYR  19   2.141  -0.640   6.469
  149    H    SER  20           H        SER  20  -5.672  -1.514   4.433
  150    HA   SER  20           HA       SER  20  -7.599  -2.730   2.604
  151    HB2  SER  20           1HB      SER  20  -7.901  -0.574   4.724
  152    HB3  SER  20           2HB      SER  20  -9.233  -1.405   3.903
  153    HG   SER  20           HG       SER  20  -8.530  -2.265   6.025
  154    H    ASP  21           H        ASP  21  -5.613   0.048   2.352
  155    HA   ASP  21           HA       ASP  21  -7.263   1.239   0.187
  156    HB2  ASP  21           1HB      ASP  21  -8.050   2.314   2.216
  157    HB3  ASP  21           2HB      ASP  21  -6.396   2.614   2.758
  158    H    VAL  22           H        VAL  22  -6.124   2.333  -1.362
  159    HA   VAL  22           HA       VAL  22  -3.319   1.732  -1.599
  160    HB   VAL  22           HB       VAL  22  -4.931   1.835  -3.459
  161   HG11  VAL  22          1HG1      VAL  22  -6.107   3.946  -2.960
  162   HG12  VAL  22          2HG1      VAL  22  -4.630   4.852  -3.382
  163   HG13  VAL  22          3HG1      VAL  22  -5.469   3.888  -4.606
  164   HG21  VAL  22          3HG2      VAL  22  -2.494   1.800  -3.844
  165   HG22  VAL  22          1HG2      VAL  22  -3.379   2.648  -5.123
  166   HG23  VAL  22          2HG2      VAL  22  -2.490   3.577  -3.901
  167    H    LYS  23           H        LYS  23  -4.987   4.656  -0.444
  168    HA   LYS  23           HA       LYS  23  -2.616   6.279  -0.918
  169    HB2  LYS  23           1HB      LYS  23  -5.047   7.009   0.776
  170    HB3  LYS  23           2HB      LYS  23  -3.746   8.070   0.280
  171    HG2  LYS  23           1HG      LYS  23  -5.246   8.662  -1.319
  172    HG3  LYS  23           2HG      LYS  23  -4.426   7.365  -2.177
  173    HD2  LYS  23           1HD      LYS  23  -6.780   7.101  -2.534
  174    HD3  LYS  23           2HD      LYS  23  -6.305   5.812  -1.426
  175    HE2  LYS  23           1HE      LYS  23  -7.070   7.287   0.493
  176    HE3  LYS  23           2HE      LYS  23  -7.681   8.438  -0.705
  177    HZ1  LYS  23           3HZ      LYS  23  -9.112   6.606  -1.546
  178    HZ2  LYS  23           1HZ      LYS  23  -9.427   6.930   0.027
  179    HZ3  LYS  23           2HZ      LYS  23  -8.536   5.615  -0.364
  180    H    ASN  24           H        ASN  24  -4.099   4.594   1.832
  181    HA   ASN  24           HA       ASN  24  -2.081   5.275   3.780
  182    HB2  ASN  24           1HB      ASN  24  -4.006   2.938   3.510
  183    HB3  ASN  24           2HB      ASN  24  -2.885   3.090   4.861
  184   HD21  ASN  24          1HD2      ASN  24  -5.652   3.034   5.293
  185   HD22  ASN  24          2HD2      ASN  24  -6.115   4.618   5.895
  186    H    LEU  25           H        LEU  25  -2.148   2.625   1.341
  187    HA   LEU  25           HA       LEU  25   0.406   1.529   2.056
  188    HB2  LEU  25           1HB      LEU  25  -1.037   0.283   0.621
  189    HB3  LEU  25           2HB      LEU  25  -1.193   1.614  -0.517
  190    HG   LEU  25           HG       LEU  25   1.170   1.381  -1.189
  191   HD11  LEU  25          1HD1      LEU  25   2.124   0.404   0.892
  192   HD12  LEU  25          2HD1      LEU  25   2.448  -0.593  -0.522
  193   HD13  LEU  25          3HD1      LEU  25   1.178  -1.073   0.623
  194   HD21  LEU  25          3HD2      LEU  25   0.928  -0.648  -2.453
  195   HD22  LEU  25          1HD2      LEU  25  -0.648   0.156  -2.367
  196   HD23  LEU  25          2HD2      LEU  25  -0.303  -1.258  -1.337
  197    H    ILE  26           H        ILE  26  -0.415   4.164  -0.296
  198    HA   ILE  26           HA       ILE  26   2.290   4.730  -1.013
  199    HB   ILE  26           HB       ILE  26  -0.229   6.412  -1.069
  200   HG12  ILE  26          1HG1      ILE  26   1.441   5.236  -3.342
  201   HG13  ILE  26          2HG1      ILE  26   0.132   4.342  -2.587
  202   HG21  ILE  26          1HG2      ILE  26   1.022   8.019  -2.525
  203   HG22  ILE  26          2HG2      ILE  26   1.625   8.015  -0.879
  204   HG23  ILE  26          3HG2      ILE  26   2.529   7.159  -2.152
  205   HD11  ILE  26          3HD1      ILE  26  -0.168   6.961  -4.103
  206   HD12  ILE  26          1HD1      ILE  26  -0.697   5.349  -4.602
  207   HD13  ILE  26          2HD1      ILE  26  -1.477   6.140  -3.217
  208    H    LYS  27           H        LYS  27   0.314   6.173   1.629
  209    HA   LYS  27           HA       LYS  27   2.318   7.900   2.698
  210    HB2  LYS  27           1HB      LYS  27  -0.018   6.403   3.958
  211    HB3  LYS  27           2HB      LYS  27   0.980   7.530   4.876
  212    HG2  LYS  27           1HG      LYS  27   0.264   9.408   3.671
  213    HG3  LYS  27           2HG      LYS  27  -0.291   8.462   2.292
  214    HD2  LYS  27           1HD      LYS  27  -2.178   9.371   3.573
  215    HD3  LYS  27           2HD      LYS  27  -2.194   7.610   3.524
  216    HE2  LYS  27           1HE      LYS  27  -1.150   7.585   5.824
  217    HE3  LYS  27           2HE      LYS  27  -1.302   9.346   5.864
  218    HZ1  LYS  27           3HZ      LYS  27  -3.563   7.422   5.587
  219    HZ2  LYS  27           1HZ      LYS  27  -3.722   9.053   5.615
  220    HZ3  LYS  27           2HZ      LYS  27  -3.194   8.262   6.940
  221    H    HIS  28           H        HIS  28   1.728   4.428   3.441
  222    HA   HIS  28           HA       HIS  28   3.873   4.120   5.314
  223    HB2  HIS  28           1HB      HIS  28   2.255   2.396   5.166
  224    HB3  HIS  28           2HB      HIS  28   2.431   2.232   3.430
  225    HD1  HIS  28           1HD      HIS  28   4.321   1.298   6.642
  226    HD2  HIS  28           2HD      HIS  28   4.327   0.648   2.485
  227    HE1  HIS  28           1HE      HIS  28   5.927  -0.623   6.251
  228    H    ILE  29           H        ILE  29   3.868   3.815   1.721
  229    HA   ILE  29           HA       ILE  29   6.663   3.174   1.518
  230    HB   ILE  29           HB       ILE  29   4.701   4.337  -0.478
  231   HG12  ILE  29          1HG1      ILE  29   5.913   1.540  -0.347
  232   HG13  ILE  29          2HG1      ILE  29   4.392   1.939   0.430
  233   HG21  ILE  29          1HG2      ILE  29   6.343   3.764  -2.239
  234   HG22  ILE  29          2HG2      ILE  29   6.996   4.983  -1.162
  235   HG23  ILE  29          3HG2      ILE  29   7.513   3.291  -0.993
  236   HD11  ILE  29          3HD1      ILE  29   4.930   2.079  -2.561
  237   HD12  ILE  29          1HD1      ILE  29   3.921   0.918  -1.696
  238   HD13  ILE  29          2HD1      ILE  29   3.430   2.622  -1.767
  239    H    ARG  30           H        ARG  30   4.998   6.383   1.492
  240    HA   ARG  30           HA       ARG  30   7.404   7.939   1.154
  241    HB2  ARG  30           1HB      ARG  30   4.889   8.703   2.712
  242    HB3  ARG  30           2HB      ARG  30   6.152   9.794   2.184
  243    HG2  ARG  30           1HG      ARG  30   4.034   8.450   0.526
  244    HG3  ARG  30           2HG      ARG  30   4.383  10.149   0.702
  245    HD2  ARG  30           1HD      ARG  30   6.084   8.114  -0.791
  246    HD3  ARG  30           2HD      ARG  30   4.981   9.300  -1.499
  247    HE   ARG  30           HE       ARG  30   7.036  10.500   0.205
  248   HH11  ARG  30          2HH1      ARG  30   6.368   9.528  -3.092
  249   HH12  ARG  30          1HH1      ARG  30   7.549  10.627  -3.749
  250   HH21  ARG  30          2HH2      ARG  30   8.558  11.839  -0.694
  251   HH22  ARG  30          1HH2      ARG  30   8.777  11.873  -2.417
  252    H    ASP  31           H        ASP  31   5.978   6.544   4.080
  253    HA   ASP  31           HA       ASP  31   7.814   7.954   5.841
  254    HB2  ASP  31           1HB      ASP  31   5.451   7.375   6.381
  255    HB3  ASP  31           2HB      ASP  31   5.903   5.669   6.426
  256    H    MET  32           H        MET  32   7.678   4.626   4.568
  257    HA   MET  32           HA       MET  32  10.090   3.874   6.166
  258    HB2  MET  32           1HB      MET  32   7.927   2.209   4.824
  259    HB3  MET  32           2HB      MET  32   9.309   1.547   5.685
  260    HG2  MET  32           1HG      MET  32   7.164   3.324   6.902
  261    HG3  MET  32           2HG      MET  32   7.261   1.578   7.059
  262    HE1  MET  32           3HE      MET  32  10.315   0.999   9.415
  263    HE2  MET  32           1HE      MET  32   8.987   0.257   8.497
  264    HE3  MET  32           2HE      MET  32  10.378   0.970   7.644
  265    H    HIS  33           H        HIS  33   9.139   4.291   2.803
  266    HA   HIS  33           HA       HIS  33  11.673   3.015   1.877
  267    HB2  HIS  33           1HB      HIS  33   8.988   2.553   0.563
  268    HB3  HIS  33           2HB      HIS  33  10.504   1.722   0.244
  269    HD1  HIS  33           1HD      HIS  33  11.274   0.466   2.949
  270    HD2  HIS  33           2HD      HIS  33   7.328   0.978   1.614
  271    HE1  HIS  33           1HE      HIS  33   9.893  -1.255   4.211
  272    H    ASP  34           H        ASP  34  11.299   5.798   2.131
  273    HA   ASP  34           HA       ASP  34  10.016   7.085   0.070
  274    HB2  ASP  34           1HB      ASP  34  11.144   9.086   0.694
  275    HB3  ASP  34           2HB      ASP  34  10.756   8.157   2.131
  276    HA   PRO  35           HA       PRO  35  12.658   6.458  -3.478
  277    HB2  PRO  35           1HB      PRO  35  11.449   8.056  -5.323
  278    HB3  PRO  35           2HB      PRO  35  10.693   6.557  -4.697
  279    HG2  PRO  35           1HG      PRO  35  10.212   9.410  -3.776
  280    HG3  PRO  35           2HG      PRO  35   8.995   8.159  -4.189
  281    HD2  PRO  35           1HD      PRO  35   9.775   8.657  -1.610
  282    HD3  PRO  35           2HD      PRO  35   9.352   7.009  -2.169
  283    H    GLN  36           H        GLN  36  14.433   7.378  -4.462
  284    HA   GLN  36           HA       GLN  36  15.063  10.239  -4.163
  285    HB2  GLN  36           1HB      GLN  36  16.839   7.985  -3.129
  286    HB3  GLN  36           2HB      GLN  36  17.354   9.654  -3.327
  287    HG2  GLN  36           1HG      GLN  36  15.170   8.689  -1.425
  288    HG3  GLN  36           2HG      GLN  36  16.813   9.093  -0.980
  289   HE21  GLN  36          1HE2      GLN  36  14.462  10.328   0.155
  290   HE22  GLN  36          2HE2      GLN  36  14.581  12.042  -0.265
  291    H    ASP  37           H        ASP  37  16.144  10.988  -5.846
  292    HA   ASP  37           HA       ASP  37  17.582   9.269  -7.775
  293    HB2  ASP  37           1HB      ASP  37  16.347   9.923  -9.667
  294    HB3  ASP  37           2HB      ASP  37  15.190   9.310  -8.506
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -12.852 -12.676   7.036
    2    H2   GLY   1           2H       GLY   1 -13.230 -13.573   8.358
    3    H3   GLY   1           3H       GLY   1 -14.241 -12.384   7.852
    4    HA2  GLY   1           1HA      GLY   1 -15.177 -14.475   7.215
    5    HA3  GLY   1           2HA      GLY   1 -14.662 -13.568   5.781
    6    H    SER   2           H        SER   2 -14.830 -15.924   4.990
    7    HA   SER   2           HA       SER   2 -12.915 -17.881   5.800
    8    HB2  SER   2           1HB      SER   2 -13.599 -19.059   3.714
    9    HB3  SER   2           2HB      SER   2 -14.938 -18.582   4.769
   10    HG   SER   2           HG       SER   2 -15.357 -18.105   2.558
   11    H    SER   3           H        SER   3 -11.093 -18.684   4.819
   12    HA   SER   3           HA       SER   3  -8.976 -18.546   4.118
   13    HB2  SER   3           1HB      SER   3 -10.064 -17.013   1.742
   14    HB3  SER   3           2HB      SER   3  -8.480 -17.793   1.855
   15    HG   SER   3           HG       SER   3 -11.026 -19.071   2.000
   16    H    GLY   4           H        GLY   4 -10.206 -15.951   5.542
   17    HA2  GLY   4           1HA      GLY   4  -9.227 -14.176   6.625
   18    HA3  GLY   4           2HA      GLY   4  -7.655 -14.763   6.096
   19    H    SER   5           H        SER   5  -7.319 -12.389   6.100
   20    HA   SER   5           HA       SER   5  -7.028 -10.363   5.149
   21    HB2  SER   5           1HB      SER   5  -6.918 -11.944   2.568
   22    HB3  SER   5           2HB      SER   5  -6.247 -10.326   2.848
   23    HG   SER   5           HG       SER   5  -5.519 -12.732   4.192
   24    H    SER   6           H        SER   6  -9.808 -10.894   5.601
   25    HA   SER   6           HA       SER   6 -11.438  -9.925   3.457
   26    HB2  SER   6           1HB      SER   6 -11.946  -9.724   6.449
   27    HB3  SER   6           2HB      SER   6 -13.153  -9.604   5.155
   28    HG   SER   6           HG       SER   6 -12.542 -11.775   4.548
   29    H    GLY   7           H        GLY   7 -11.952  -7.907   2.766
   30    HA2  GLY   7           1HA      GLY   7 -11.996  -5.613   2.568
   31    HA3  GLY   7           2HA      GLY   7 -11.634  -5.477   4.289
   32    H    ILE   8           H        ILE   8  -9.306  -7.299   2.514
   33    HA   ILE   8           HA       ILE   8  -7.385  -5.003   2.389
   34    HB   ILE   8           HB       ILE   8  -7.061  -7.852   3.343
   35   HG12  ILE   8          1HG1      ILE   8  -6.246  -5.190   4.587
   36   HG13  ILE   8          2HG1      ILE   8  -7.760  -6.022   4.932
   37   HG21  ILE   8          1HG2      ILE   8  -4.669  -7.606   3.436
   38   HG22  ILE   8          2HG2      ILE   8  -5.179  -7.463   1.782
   39   HG23  ILE   8          3HG2      ILE   8  -4.747  -5.991   2.690
   40   HD11  ILE   8          3HD1      ILE   8  -6.244  -6.501   6.715
   41   HD12  ILE   8          1HD1      ILE   8  -6.475  -7.992   5.783
   42   HD13  ILE   8          2HD1      ILE   8  -4.979  -7.042   5.606
   43    H    LYS   9           H        LYS   9  -6.021  -4.878   0.659
   44    HA   LYS   9           HA       LYS   9  -6.021  -6.933  -1.457
   45    HB2  LYS   9           1HB      LYS   9  -8.049  -5.695  -2.038
   46    HB3  LYS   9           2HB      LYS   9  -7.201  -4.158  -1.928
   47    HG2  LYS   9           1HG      LYS   9  -7.581  -4.794  -4.243
   48    HG3  LYS   9           2HG      LYS   9  -5.860  -4.699  -3.890
   49    HD2  LYS   9           1HD      LYS   9  -5.729  -7.184  -3.770
   50    HD3  LYS   9           2HD      LYS   9  -7.479  -7.280  -4.011
   51    HE2  LYS   9           1HE      LYS   9  -6.393  -7.747  -6.112
   52    HE3  LYS   9           2HE      LYS   9  -7.237  -6.202  -6.236
   53    HZ1  LYS   9           3HZ      LYS   9  -5.084  -5.081  -5.899
   54    HZ2  LYS   9           1HZ      LYS   9  -5.004  -6.081  -7.187
   55    HZ3  LYS   9           2HZ      LYS   9  -4.314  -6.523  -5.776
   56    H    GLN  10           H        GLN  10  -5.093  -3.519  -0.843
   57    HA   GLN  10           HA       GLN  10  -2.725  -3.769  -2.518
   58    HB2  GLN  10           1HB      GLN  10  -3.628  -1.548  -0.641
   59    HB3  GLN  10           2HB      GLN  10  -2.262  -1.450  -1.751
   60    HG2  GLN  10           1HG      GLN  10  -5.186  -1.818  -2.549
   61    HG3  GLN  10           2HG      GLN  10  -4.236  -0.350  -2.701
   62   HE21  GLN  10          1HE2      GLN  10  -2.270  -0.459  -4.222
   63   HE22  GLN  10          2HE2      GLN  10  -2.425  -1.532  -5.602
   64    H    HIS  11           H        HIS  11  -0.618  -4.072  -1.960
   65    HA   HIS  11           HA       HIS  11   0.136  -4.230   0.870
   66    HB2  HIS  11           1HB      HIS  11   1.063  -6.525   0.611
   67    HB3  HIS  11           2HB      HIS  11  -0.690  -6.445   0.558
   68    HD1  HIS  11           1HD      HIS  11  -1.829  -6.788  -1.979
   69    HD2  HIS  11           2HD      HIS  11   2.273  -7.636  -1.462
   70    HE1  HIS  11           1HE      HIS  11  -1.109  -8.133  -4.019
   71    H    CYS  12           H        CYS  12   2.325  -4.172   1.297
   72    HA   CYS  12           HA       CYS  12   3.643  -2.303  -0.313
   73    HB2  CYS  12           1HB      CYS  12   3.790  -2.460   2.106
   74    HB3  CYS  12           2HB      CYS  12   4.667  -3.991   1.981
   75    H    ARG  13           H        ARG  13   5.365  -2.199  -1.532
   76    HA   ARG  13           HA       ARG  13   6.092  -4.543  -3.174
   77    HB2  ARG  13           1HB      ARG  13   7.080  -1.661  -3.291
   78    HB3  ARG  13           2HB      ARG  13   7.369  -2.897  -4.498
   79    HG2  ARG  13           1HG      ARG  13   4.693  -1.613  -3.779
   80    HG3  ARG  13           2HG      ARG  13   5.712  -1.265  -5.168
   81    HD2  ARG  13           1HD      ARG  13   4.216  -2.635  -6.110
   82    HD3  ARG  13           2HD      ARG  13   5.482  -3.805  -5.730
   83    HE   ARG  13           HE       ARG  13   3.399  -3.488  -3.662
   84   HH11  ARG  13          2HH1      ARG  13   4.215  -5.372  -6.516
   85   HH12  ARG  13          1HH1      ARG  13   3.111  -6.646  -6.071
   86   HH21  ARG  13          2HH2      ARG  13   2.060  -5.074  -3.190
   87   HH22  ARG  13          1HH2      ARG  13   1.932  -6.510  -4.179
   88    H    PHE  14           H        PHE  14   7.343  -3.049  -0.365
   89    HA   PHE  14           HA       PHE  14  10.115  -4.083  -0.860
   90    HB2  PHE  14           1HB      PHE  14   9.202  -1.859   0.968
   91    HB3  PHE  14           2HB      PHE  14  10.857  -2.288   0.585
   92    HD1  PHE  14           2HD      PHE  14  11.835  -1.713  -1.630
   93    HD2  PHE  14           1HD      PHE  14   7.818  -0.548  -0.570
   94    HE1  PHE  14           2HE      PHE  14  11.818  -0.061  -3.487
   95    HE2  PHE  14           1HE      PHE  14   7.808   1.102  -2.425
   96    HZ   PHE  14           HZ       PHE  14   9.809   1.351  -3.882
   97    H    CYS  15           H        CYS  15   7.502  -4.042   1.561
   98    HA   CYS  15           HA       CYS  15   8.965  -6.121   3.109
   99    HB2  CYS  15           1HB      CYS  15   8.519  -5.062   5.189
  100    HB3  CYS  15           2HB      CYS  15   9.354  -3.923   4.142
  101    H    LYS  16           H        LYS  16   6.323  -5.692   1.354
  102    HA   LYS  16           HA       LYS  16   4.320  -6.677   1.083
  103    HB2  LYS  16           1HB      LYS  16   5.697  -8.951   2.532
  104    HB3  LYS  16           2HB      LYS  16   4.285  -9.091   1.475
  105    HG2  LYS  16           1HG      LYS  16   5.610  -8.128  -0.411
  106    HG3  LYS  16           2HG      LYS  16   7.053  -8.140   0.611
  107    HD2  LYS  16           1HD      LYS  16   5.420 -10.591  -0.171
  108    HD3  LYS  16           2HD      LYS  16   6.935 -10.070  -0.925
  109    HE2  LYS  16           1HE      LYS  16   8.103 -10.307   1.267
  110    HE3  LYS  16           2HE      LYS  16   6.601 -10.884   1.999
  111    HZ1  LYS  16           3HZ      LYS  16   8.038 -12.232  -0.226
  112    HZ2  LYS  16           1HZ      LYS  16   6.647 -12.765   0.445
  113    HZ3  LYS  16           2HZ      LYS  16   8.019 -12.732   1.325
  114    H    LYS  17           H        LYS  17   4.519  -5.210   3.798
  115    HA   LYS  17           HA       LYS  17   2.428  -6.335   5.424
  116    HB2  LYS  17           1HB      LYS  17   3.320  -3.450   5.018
  117    HB3  LYS  17           2HB      LYS  17   2.075  -3.968   6.166
  118    HG2  LYS  17           1HG      LYS  17   3.737  -5.446   7.299
  119    HG3  LYS  17           2HG      LYS  17   4.980  -4.901   6.169
  120    HD2  LYS  17           1HD      LYS  17   5.242  -3.683   8.224
  121    HD3  LYS  17           2HD      LYS  17   4.662  -2.555   6.987
  122    HE2  LYS  17           1HE      LYS  17   2.371  -2.700   7.878
  123    HE3  LYS  17           2HE      LYS  17   2.873  -3.942   9.034
  124    HZ1  LYS  17           3HZ      LYS  17   2.775  -1.758  10.077
  125    HZ2  LYS  17           1HZ      LYS  17   3.851  -1.136   9.019
  126    HZ3  LYS  17           2HZ      LYS  17   4.317  -2.286  10.085
  127    H    LYS  18           H        LYS  18   0.268  -5.757   5.602
  128    HA   LYS  18           HA       LYS  18  -1.087  -5.484   2.959
  129    HB2  LYS  18           1HB      LYS  18  -1.657  -6.920   5.565
  130    HB3  LYS  18           2HB      LYS  18  -2.936  -6.634   4.388
  131    HG2  LYS  18           1HG      LYS  18  -1.689  -7.839   2.648
  132    HG3  LYS  18           2HG      LYS  18  -0.332  -8.097   3.762
  133    HD2  LYS  18           1HD      LYS  18  -1.748  -9.460   5.237
  134    HD3  LYS  18           2HD      LYS  18  -3.165  -9.147   4.218
  135    HE2  LYS  18           1HE      LYS  18  -2.004 -10.232   2.294
  136    HE3  LYS  18           2HE      LYS  18  -0.628 -10.595   3.345
  137    HZ1  LYS  18           3HZ      LYS  18  -3.403 -11.607   3.746
  138    HZ2  LYS  18           1HZ      LYS  18  -2.132 -11.946   4.718
  139    HZ3  LYS  18           2HZ      LYS  18  -2.149 -12.487   3.179
  140    H    TYR  19           H        TYR  19  -2.701  -4.132   2.534
  141    HA   TYR  19           HA       TYR  19  -3.754  -2.298   4.625
  142    HB2  TYR  19           1HB      TYR  19  -2.522  -1.509   1.956
  143    HB3  TYR  19           2HB      TYR  19  -3.411  -0.419   3.011
  144    HD1  TYR  19           1HD      TYR  19  -2.527   0.228   5.240
  145    HD2  TYR  19           2HD      TYR  19  -0.232  -2.213   2.520
  146    HE1  TYR  19           1HE      TYR  19  -0.511   0.539   6.662
  147    HE2  TYR  19           2HE      TYR  19   1.790  -1.892   3.949
  148    HH   TYR  19           HH       TYR  19   1.663  -0.019   7.002
  149    H    SER  20           H        SER  20  -5.696  -1.273   4.191
  150    HA   SER  20           HA       SER  20  -7.585  -2.756   2.505
  151    HB2  SER  20           1HB      SER  20  -9.245  -1.336   3.718
  152    HB3  SER  20           2HB      SER  20  -8.200  -2.297   4.781
  153    HG   SER  20           HG       SER  20  -8.402  -0.107   5.486
  154    H    ASP  21           H        ASP  21  -5.778   0.177   2.196
  155    HA   ASP  21           HA       ASP  21  -7.247   0.930  -0.254
  156    HB2  ASP  21           1HB      ASP  21  -8.313   2.131   1.696
  157    HB3  ASP  21           2HB      ASP  21  -6.760   2.899   2.019
  158    H    VAL  22           H        VAL  22  -6.019   2.133  -1.728
  159    HA   VAL  22           HA       VAL  22  -3.213   1.663  -1.728
  160    HB   VAL  22           HB       VAL  22  -4.704   1.950  -3.707
  161   HG11  VAL  22          1HG1      VAL  22  -5.847   4.074  -3.058
  162   HG12  VAL  22          2HG1      VAL  22  -4.325   4.943  -3.375
  163   HG13  VAL  22          3HG1      VAL  22  -5.153   4.092  -4.686
  164   HG21  VAL  22          3HG2      VAL  22  -2.198   3.652  -3.770
  165   HG22  VAL  22          1HG2      VAL  22  -2.246   1.885  -3.903
  166   HG23  VAL  22          2HG2      VAL  22  -3.000   2.888  -5.154
  167    H    LYS  23           H        LYS  23  -5.037   4.540  -0.641
  168    HA   LYS  23           HA       LYS  23  -2.716   6.245  -0.733
  169    HB2  LYS  23           1HB      LYS  23  -5.348   6.568   0.777
  170    HB3  LYS  23           2HB      LYS  23  -4.118   7.827   0.614
  171    HG2  LYS  23           1HG      LYS  23  -4.361   7.795  -1.845
  172    HG3  LYS  23           2HG      LYS  23  -5.589   6.522  -1.723
  173    HD2  LYS  23           1HD      LYS  23  -7.037   8.023  -0.394
  174    HD3  LYS  23           2HD      LYS  23  -5.820   9.315  -0.525
  175    HE2  LYS  23           1HE      LYS  23  -6.029   9.252  -3.002
  176    HE3  LYS  23           2HE      LYS  23  -7.232   7.962  -2.871
  177    HZ1  LYS  23           3HZ      LYS  23  -8.669   9.516  -1.661
  178    HZ2  LYS  23           1HZ      LYS  23  -8.289  10.132  -3.121
  179    HZ3  LYS  23           2HZ      LYS  23  -7.559  10.709  -1.783
  180    H    ASN  24           H        ASN  24  -4.126   4.217   1.777
  181    HA   ASN  24           HA       ASN  24  -2.397   5.023   3.952
  182    HB2  ASN  24           1HB      ASN  24  -3.925   2.436   3.397
  183    HB3  ASN  24           2HB      ASN  24  -3.085   2.793   4.904
  184   HD21  ASN  24          1HD2      ASN  24  -5.804   2.199   4.941
  185   HD22  ASN  24          2HD2      ASN  24  -6.660   3.664   5.383
  186    H    LEU  25           H        LEU  25  -2.088   2.533   1.378
  187    HA   LEU  25           HA       LEU  25   0.473   1.599   2.289
  188    HB2  LEU  25           1HB      LEU  25  -0.887   0.199   0.881
  189    HB3  LEU  25           2HB      LEU  25  -0.934   1.418  -0.395
  190    HG   LEU  25           HG       LEU  25   1.470   1.162  -0.798
  191   HD11  LEU  25          1HD1      LEU  25   2.123   0.410   1.560
  192   HD12  LEU  25          2HD1      LEU  25   2.833  -0.484   0.239
  193   HD13  LEU  25          3HD1      LEU  25   1.469  -1.183   1.143
  194   HD21  LEU  25          3HD2      LEU  25  -0.009  -1.484  -0.783
  195   HD22  LEU  25          1HD2      LEU  25   1.430  -1.097  -1.752
  196   HD23  LEU  25          2HD2      LEU  25  -0.089  -0.237  -2.051
  197    H    ILE  26           H        ILE  26  -0.407   4.147  -0.136
  198    HA   ILE  26           HA       ILE  26   2.295   4.764  -0.849
  199    HB   ILE  26           HB       ILE  26  -0.228   6.448  -0.906
  200   HG12  ILE  26          1HG1      ILE  26   1.400   5.218  -3.185
  201   HG13  ILE  26          2HG1      ILE  26   0.065   4.372  -2.424
  202   HG21  ILE  26          1HG2      ILE  26   1.051   8.018  -2.393
  203   HG22  ILE  26          2HG2      ILE  26   1.678   8.012  -0.758
  204   HG23  ILE  26          3HG2      ILE  26   2.536   7.114  -2.032
  205   HD11  ILE  26          3HD1      ILE  26  -0.716   5.410  -4.457
  206   HD12  ILE  26          1HD1      ILE  26  -1.492   6.201  -3.071
  207   HD13  ILE  26          2HD1      ILE  26  -0.161   7.002  -3.940
  208    H    LYS  27           H        LYS  27   0.267   6.100   1.807
  209    HA   LYS  27           HA       LYS  27   2.264   7.860   2.881
  210    HB2  LYS  27           1HB      LYS  27  -0.096   6.401   4.137
  211    HB3  LYS  27           2HB      LYS  27   0.929   7.519   5.046
  212    HG2  LYS  27           1HG      LYS  27   0.381   9.364   3.569
  213    HG3  LYS  27           2HG      LYS  27  -0.540   8.307   2.491
  214    HD2  LYS  27           1HD      LYS  27  -2.134   7.810   4.333
  215    HD3  LYS  27           2HD      LYS  27  -1.214   8.885   5.411
  216    HE2  LYS  27           1HE      LYS  27  -1.638  10.784   3.854
  217    HE3  LYS  27           2HE      LYS  27  -2.570   9.710   2.802
  218    HZ1  LYS  27           3HZ      LYS  27  -4.133   9.374   4.651
  219    HZ2  LYS  27           1HZ      LYS  27  -4.020  10.962   4.295
  220    HZ3  LYS  27           2HZ      LYS  27  -3.270  10.373   5.615
  221    H    HIS  28           H        HIS  28   1.729   4.367   3.515
  222    HA   HIS  28           HA       HIS  28   3.879   4.080   5.407
  223    HB2  HIS  28           1HB      HIS  28   2.294   2.328   5.284
  224    HB3  HIS  28           2HB      HIS  28   2.443   2.169   3.545
  225    HD1  HIS  28           1HD      HIS  28   4.478   1.338   6.707
  226    HD2  HIS  28           2HD      HIS  28   4.298   0.564   2.580
  227    HE1  HIS  28           1HE      HIS  28   6.152  -0.521   6.279
  228    H    ILE  29           H        ILE  29   3.855   3.607   1.825
  229    HA   ILE  29           HA       ILE  29   6.601   2.924   1.579
  230    HB   ILE  29           HB       ILE  29   4.660   4.197  -0.374
  231   HG12  ILE  29          1HG1      ILE  29   5.807   1.365  -0.315
  232   HG13  ILE  29          2HG1      ILE  29   4.300   1.794   0.475
  233   HG21  ILE  29          1HG2      ILE  29   6.276   3.597  -2.181
  234   HG22  ILE  29          2HG2      ILE  29   6.932   4.818  -1.115
  235   HG23  ILE  29          3HG2      ILE  29   7.462   3.129  -0.947
  236   HD11  ILE  29          3HD1      ILE  29   4.842   1.950  -2.513
  237   HD12  ILE  29          1HD1      ILE  29   3.776   0.832  -1.664
  238   HD13  ILE  29          2HD1      ILE  29   3.371   2.563  -1.720
  239    H    ARG  30           H        ARG  30   5.082   6.187   1.435
  240    HA   ARG  30           HA       ARG  30   7.683   7.457   1.108
  241    HB2  ARG  30           1HB      ARG  30   4.947   8.665   1.623
  242    HB3  ARG  30           2HB      ARG  30   6.435   9.571   1.306
  243    HG2  ARG  30           1HG      ARG  30   6.642   8.050  -0.831
  244    HG3  ARG  30           2HG      ARG  30   4.923   7.739  -0.583
  245    HD2  ARG  30           1HD      ARG  30   4.456  10.153  -0.651
  246    HD3  ARG  30           2HD      ARG  30   6.181  10.512  -0.807
  247    HE   ARG  30           HE       ARG  30   4.368   9.675  -2.907
  248   HH11  ARG  30          2HH1      ARG  30   7.837   9.503  -2.078
  249   HH12  ARG  30          1HH1      ARG  30   8.263   9.557  -3.762
  250   HH21  ARG  30          2HH2      ARG  30   5.073   9.636  -4.991
  251   HH22  ARG  30          1HH2      ARG  30   6.772   9.561  -5.344
  252    H    ASP  31           H        ASP  31   6.320   6.196   3.892
  253    HA   ASP  31           HA       ASP  31   7.925   8.001   5.644
  254    HB2  ASP  31           1HB      ASP  31   5.571   7.486   6.244
  255    HB3  ASP  31           2HB      ASP  31   5.996   5.775   6.375
  256    H    MET  32           H        MET  32   7.792   4.635   4.499
  257    HA   MET  32           HA       MET  32  10.181   3.929   6.145
  258    HB2  MET  32           1HB      MET  32   8.032   2.246   4.809
  259    HB3  MET  32           2HB      MET  32   9.400   1.590   5.696
  260    HG2  MET  32           1HG      MET  32   7.246   3.398   6.849
  261    HG3  MET  32           2HG      MET  32   7.349   1.658   7.057
  262    HE1  MET  32           3HE      MET  32  10.482   1.109   7.678
  263    HE2  MET  32           1HE      MET  32  10.399   1.173   9.449
  264    HE3  MET  32           2HE      MET  32   9.095   0.389   8.532
  265    H    HIS  33           H        HIS  33   9.274   4.207   2.747
  266    HA   HIS  33           HA       HIS  33  11.847   2.933   1.919
  267    HB2  HIS  33           1HB      HIS  33   9.199   2.472   0.535
  268    HB3  HIS  33           2HB      HIS  33  10.708   1.604   0.298
  269    HD1  HIS  33           1HD      HIS  33  11.382   0.408   3.047
  270    HD2  HIS  33           2HD      HIS  33   7.485   0.925   1.576
  271    HE1  HIS  33           1HE      HIS  33   9.944  -1.279   4.296
  272    H    ASP  34           H        ASP  34  10.728   5.853   1.949
  273    HA   ASP  34           HA       ASP  34   9.975   6.638  -0.593
  274    HB2  ASP  34           1HB      ASP  34   9.804   7.920   1.549
  275    HB3  ASP  34           2HB      ASP  34  11.491   8.373   1.368
  276    HA   PRO  35           HA       PRO  35  13.706   6.112  -2.960
  277    HB2  PRO  35           1HB      PRO  35  12.467   8.147  -4.819
  278    HB3  PRO  35           2HB      PRO  35  13.251   6.583  -5.216
  279    HG2  PRO  35           1HG      PRO  35  10.554   6.752  -5.139
  280    HG3  PRO  35           2HG      PRO  35  11.373   5.352  -4.370
  281    HD2  PRO  35           1HD      PRO  35  10.296   7.859  -3.048
  282    HD3  PRO  35           2HD      PRO  35  10.123   6.144  -2.565
  283    H    GLN  36           H        GLN  36  15.711   6.985  -3.245
  284    HA   GLN  36           HA       GLN  36  16.250   9.620  -2.037
  285    HB2  GLN  36           1HB      GLN  36  18.087   7.381  -2.971
  286    HB3  GLN  36           2HB      GLN  36  18.615   8.869  -2.170
  287    HG2  GLN  36           1HG      GLN  36  17.234   8.295  -0.181
  288    HG3  GLN  36           2HG      GLN  36  16.759   6.778  -0.947
  289   HE21  GLN  36          1HE2      GLN  36  17.821   6.317   1.405
  290   HE22  GLN  36          2HE2      GLN  36  19.505   5.824   1.288
  291    H    ASP  37           H        ASP  37  15.784   8.517  -5.220
  292    HA   ASP  37           HA       ASP  37  16.867  11.005  -6.400
  293    HB2  ASP  37           1HB      ASP  37  18.707   9.377  -6.579
  294    HB3  ASP  37           2HB      ASP  37  17.632   8.216  -7.351
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -16.758 -13.454   3.778
    2    H2   GLY   1           2H       GLY   1 -16.106 -14.058   5.152
    3    H3   GLY   1           3H       GLY   1 -15.318 -14.236   3.726
    4    HA2  GLY   1           1HA      GLY   1 -14.265 -12.515   5.041
    5    HA3  GLY   1           2HA      GLY   1 -14.952 -11.873   3.537
    6    H    SER   2           H        SER   2 -14.397 -10.471   6.072
    7    HA   SER   2           HA       SER   2 -16.776  -9.996   7.566
    8    HB2  SER   2           1HB      SER   2 -14.365  -8.183   7.179
    9    HB3  SER   2           2HB      SER   2 -15.581  -8.058   8.466
   10    HG   SER   2           HG       SER   2 -13.702  -9.204   9.149
   11    H    SER   3           H        SER   3 -18.438  -8.561   7.394
   12    HA   SER   3           HA       SER   3 -19.108  -7.505   4.828
   13    HB2  SER   3           1HB      SER   3 -21.091  -6.587   6.019
   14    HB3  SER   3           2HB      SER   3 -20.800  -8.304   6.338
   15    HG   SER   3           HG       SER   3 -21.260  -7.119   8.263
   16    H    GLY   4           H        GLY   4 -17.450  -5.990   7.509
   17    HA2  GLY   4           1HA      GLY   4 -17.819  -3.234   6.658
   18    HA3  GLY   4           2HA      GLY   4 -16.665  -3.842   7.846
   19    H    SER   5           H        SER   5 -15.943  -5.713   5.253
   20    HA   SER   5           HA       SER   5 -13.777  -3.872   4.337
   21    HB2  SER   5           1HB      SER   5 -13.882  -6.904   4.375
   22    HB3  SER   5           2HB      SER   5 -12.528  -5.912   3.808
   23    HG   SER   5           HG       SER   5 -12.219  -6.565   5.973
   24    H    SER   6           H        SER   6 -13.298  -3.570   2.197
   25    HA   SER   6           HA       SER   6 -15.366  -4.164   0.211
   26    HB2  SER   6           1HB      SER   6 -14.025  -2.746  -1.239
   27    HB3  SER   6           2HB      SER   6 -14.217  -1.979   0.348
   28    HG   SER   6           HG       SER   6 -12.055  -1.848  -0.232
   29    H    GLY   7           H        GLY   7 -12.304  -5.554   1.115
   30    HA2  GLY   7           1HA      GLY   7 -11.217  -7.472   0.347
   31    HA3  GLY   7           2HA      GLY   7 -12.376  -7.619  -0.976
   32    H    ILE   8           H        ILE   8 -11.324  -4.448  -1.114
   33    HA   ILE   8           HA       ILE   8  -9.526  -5.074  -3.364
   34    HB   ILE   8           HB       ILE   8 -10.515  -2.311  -2.643
   35   HG12  ILE   8          1HG1      ILE   8 -11.974  -4.392  -4.342
   36   HG13  ILE   8          2HG1      ILE   8 -12.519  -3.760  -2.792
   37   HG21  ILE   8          1HG2      ILE   8  -8.672  -2.630  -4.386
   38   HG22  ILE   8          2HG2      ILE   8  -9.812  -3.594  -5.335
   39   HG23  ILE   8          3HG2      ILE   8 -10.119  -1.872  -5.017
   40   HD11  ILE   8          3HD1      ILE   8 -12.344  -2.200  -5.381
   41   HD12  ILE   8          1HD1      ILE   8 -13.785  -2.664  -4.468
   42   HD13  ILE   8          2HD1      ILE   8 -12.664  -1.470  -3.785
   43    H    LYS   9           H        LYS   9  -8.284  -5.842  -1.204
   44    HA   LYS   9           HA       LYS   9  -6.727  -3.852   0.193
   45    HB2  LYS   9           1HB      LYS   9  -5.584  -5.712   1.236
   46    HB3  LYS   9           2HB      LYS   9  -7.327  -5.982   1.223
   47    HG2  LYS   9           1HG      LYS   9  -7.079  -7.527  -0.716
   48    HG3  LYS   9           2HG      LYS   9  -5.329  -7.242  -0.718
   49    HD2  LYS   9           1HD      LYS   9  -5.178  -8.167   1.584
   50    HD3  LYS   9           2HD      LYS   9  -6.933  -8.469   1.568
   51    HE2  LYS   9           1HE      LYS   9  -6.637  -9.937  -0.431
   52    HE3  LYS   9           2HE      LYS   9  -4.893  -9.648  -0.375
   53    HZ1  LYS   9           3HZ      LYS   9  -4.859 -10.701   1.825
   54    HZ2  LYS   9           1HZ      LYS   9  -5.485 -11.732   0.726
   55    HZ3  LYS   9           2HZ      LYS   9  -6.472 -10.966   1.773
   56    H    GLN  10           H        GLN  10  -4.505  -3.583   0.264
   57    HA   GLN  10           HA       GLN  10  -3.084  -3.821  -2.360
   58    HB2  GLN  10           1HB      GLN  10  -3.119  -1.417  -0.491
   59    HB3  GLN  10           2HB      GLN  10  -2.348  -1.527  -2.074
   60    HG2  GLN  10           1HG      GLN  10  -5.349  -1.560  -1.532
   61    HG3  GLN  10           2HG      GLN  10  -4.421  -0.220  -2.156
   62   HE21  GLN  10          1HE2      GLN  10  -6.663  -2.146  -3.276
   63   HE22  GLN  10          2HE2      GLN  10  -6.040  -2.437  -4.901
   64    H    HIS  11           H        HIS  11  -0.925  -4.340  -2.251
   65    HA   HIS  11           HA       HIS  11   0.195  -4.923   0.466
   66    HB2  HIS  11           1HB      HIS  11   0.799  -6.347  -2.134
   67    HB3  HIS  11           2HB      HIS  11   1.314  -6.808  -0.518
   68    HD1  HIS  11           1HD      HIS  11  -0.276  -8.795  -2.412
   69    HD2  HIS  11           2HD      HIS  11  -1.951  -6.376   0.593
   70    HE1  HIS  11           1HE      HIS  11  -2.458  -9.912  -1.724
   71    H    CYS  12           H        CYS  12   2.261  -4.390   0.970
   72    HA   CYS  12           HA       CYS  12   3.723  -2.410  -0.534
   73    HB2  CYS  12           1HB      CYS  12   3.671  -2.526   1.910
   74    HB3  CYS  12           2HB      CYS  12   4.436  -4.124   1.870
   75    H    ARG  13           H        ARG  13   5.545  -2.527  -1.651
   76    HA   ARG  13           HA       ARG  13   6.234  -5.107  -2.962
   77    HB2  ARG  13           1HB      ARG  13   7.412  -2.368  -3.543
   78    HB3  ARG  13           2HB      ARG  13   7.396  -3.783  -4.591
   79    HG2  ARG  13           1HG      ARG  13   5.052  -2.000  -3.823
   80    HG3  ARG  13           2HG      ARG  13   5.836  -2.092  -5.389
   81    HD2  ARG  13           1HD      ARG  13   4.633  -3.884  -6.050
   82    HD3  ARG  13           2HD      ARG  13   4.827  -4.728  -4.529
   83    HE   ARG  13           HE       ARG  13   2.921  -3.695  -3.606
   84   HH11  ARG  13          2HH1      ARG  13   3.274  -2.600  -6.928
   85   HH12  ARG  13          1HH1      ARG  13   1.666  -1.925  -6.941
   86   HH21  ARG  13          2HH2      ARG  13   1.022  -2.822  -3.666
   87   HH22  ARG  13          1HH2      ARG  13   0.379  -2.065  -5.116
   88    H    PHE  14           H        PHE  14   7.471  -3.053  -0.494
   89    HA   PHE  14           HA       PHE  14  10.251  -4.060  -0.798
   90    HB2  PHE  14           1HB      PHE  14   9.175  -1.846   0.951
   91    HB3  PHE  14           2HB      PHE  14  10.855  -2.156   0.561
   92    HD1  PHE  14           2HD      PHE  14  11.728  -1.647  -1.737
   93    HD2  PHE  14           1HD      PHE  14   7.696  -0.652  -0.570
   94    HE1  PHE  14           2HE      PHE  14  11.544  -0.095  -3.671
   95    HE2  PHE  14           1HE      PHE  14   7.518   0.900  -2.500
   96    HZ   PHE  14           HZ       PHE  14   9.443   1.180  -4.052
   97    H    CYS  15           H        CYS  15   7.605  -4.034   1.584
   98    HA   CYS  15           HA       CYS  15   9.104  -6.026   3.207
   99    HB2  CYS  15           1HB      CYS  15   8.658  -4.947   5.232
  100    HB3  CYS  15           2HB      CYS  15   9.387  -3.766   4.158
  101    H    LYS  16           H        LYS  16   6.468  -5.720   1.410
  102    HA   LYS  16           HA       LYS  16   4.592  -6.925   1.061
  103    HB2  LYS  16           1HB      LYS  16   6.317  -8.914   2.537
  104    HB3  LYS  16           2HB      LYS  16   4.735  -9.354   1.927
  105    HG2  LYS  16           1HG      LYS  16   6.355 -10.026   0.339
  106    HG3  LYS  16           2HG      LYS  16   5.357  -8.755  -0.361
  107    HD2  LYS  16           1HD      LYS  16   7.167  -7.135  -0.153
  108    HD3  LYS  16           2HD      LYS  16   8.149  -8.290   0.785
  109    HE2  LYS  16           1HE      LYS  16   8.181  -9.818  -1.177
  110    HE3  LYS  16           2HE      LYS  16   7.210  -8.667  -2.099
  111    HZ1  LYS  16           3HZ      LYS  16   9.929  -8.103  -1.032
  112    HZ2  LYS  16           1HZ      LYS  16   9.033  -7.070  -1.944
  113    HZ3  LYS  16           2HZ      LYS  16   9.589  -8.464  -2.585
  114    H    LYS  17           H        LYS  17   4.680  -5.398   3.784
  115    HA   LYS  17           HA       LYS  17   2.432  -6.495   5.240
  116    HB2  LYS  17           1HB      LYS  17   3.456  -3.634   5.077
  117    HB3  LYS  17           2HB      LYS  17   2.230  -4.250   6.208
  118    HG2  LYS  17           1HG      LYS  17   3.857  -5.768   7.239
  119    HG3  LYS  17           2HG      LYS  17   5.072  -5.333   6.028
  120    HD2  LYS  17           1HD      LYS  17   4.915  -2.934   6.854
  121    HD3  LYS  17           2HD      LYS  17   3.892  -3.516   8.169
  122    HE2  LYS  17           1HE      LYS  17   6.210  -3.251   8.905
  123    HE3  LYS  17           2HE      LYS  17   5.725  -4.947   8.994
  124    HZ1  LYS  17           3HZ      LYS  17   7.971  -4.509   7.957
  125    HZ2  LYS  17           1HZ      LYS  17   7.201  -3.849   6.654
  126    HZ3  LYS  17           2HZ      LYS  17   6.971  -5.410   7.028
  127    H    LYS  18           H        LYS  18   0.356  -5.305   5.443
  128    HA   LYS  18           HA       LYS  18  -0.778  -4.804   2.713
  129    HB2  LYS  18           1HB      LYS  18  -1.699  -6.743   4.857
  130    HB3  LYS  18           2HB      LYS  18  -2.535  -6.446   3.307
  131    HG2  LYS  18           1HG      LYS  18  -0.355  -7.141   2.152
  132    HG3  LYS  18           2HG      LYS  18   0.246  -7.635   3.734
  133    HD2  LYS  18           1HD      LYS  18  -1.450  -9.340   3.958
  134    HD3  LYS  18           2HD      LYS  18  -2.253  -8.795   2.477
  135    HE2  LYS  18           1HE      LYS  18  -0.908 -10.774   2.000
  136    HE3  LYS  18           2HE      LYS  18  -0.282  -9.374   1.129
  137    HZ1  LYS  18           3HZ      LYS  18   1.498  -9.192   2.789
  138    HZ2  LYS  18           1HZ      LYS  18   1.488 -10.701   2.174
  139    HZ3  LYS  18           2HZ      LYS  18   0.873 -10.435   3.659
  140    H    TYR  19           H        TYR  19  -2.483  -3.550   2.484
  141    HA   TYR  19           HA       TYR  19  -3.736  -2.201   4.838
  142    HB2  TYR  19           1HB      TYR  19  -2.462  -0.919   2.387
  143    HB3  TYR  19           2HB      TYR  19  -3.559  -0.067   3.456
  144    HD1  TYR  19           1HD      TYR  19  -2.963   0.413   5.817
  145    HD2  TYR  19           2HD      TYR  19  -0.145  -1.377   3.082
  146    HE1  TYR  19           1HE      TYR  19  -1.109   0.933   7.390
  147    HE2  TYR  19           2HE      TYR  19   1.713  -0.862   4.672
  148    HH   TYR  19           HH       TYR  19   1.118   0.751   7.822
  149    H    SER  20           H        SER  20  -5.866  -1.519   4.543
  150    HA   SER  20           HA       SER  20  -7.400  -2.857   2.463
  151    HB2  SER  20           1HB      SER  20  -8.316  -0.883   4.581
  152    HB3  SER  20           2HB      SER  20  -9.343  -1.972   3.630
  153    HG   SER  20           HG       SER  20  -8.859  -2.820   5.717
  154    H    ASP  21           H        ASP  21  -5.684  -0.042   2.256
  155    HA   ASP  21           HA       ASP  21  -7.336   1.156   0.119
  156    HB2  ASP  21           1HB      ASP  21  -8.256   2.280   2.011
  157    HB3  ASP  21           2HB      ASP  21  -6.682   2.429   2.795
  158    H    VAL  22           H        VAL  22  -6.150   2.378  -1.351
  159    HA   VAL  22           HA       VAL  22  -3.316   1.764  -1.410
  160    HB   VAL  22           HB       VAL  22  -4.940   1.828  -3.357
  161   HG11  VAL  22          1HG1      VAL  22  -5.152   3.780  -4.694
  162   HG12  VAL  22          2HG1      VAL  22  -5.768   4.155  -3.078
  163   HG13  VAL  22          3HG1      VAL  22  -4.152   4.731  -3.588
  164   HG21  VAL  22          3HG2      VAL  22  -2.217   3.119  -3.706
  165   HG22  VAL  22          1HG2      VAL  22  -2.539   1.374  -3.584
  166   HG23  VAL  22          2HG2      VAL  22  -3.162   2.292  -4.962
  167    H    LYS  23           H        LYS  23  -5.104   4.692  -0.484
  168    HA   LYS  23           HA       LYS  23  -2.772   6.381  -0.826
  169    HB2  LYS  23           1HB      LYS  23  -5.413   6.805   0.637
  170    HB3  LYS  23           2HB      LYS  23  -4.068   7.892   0.887
  171    HG2  LYS  23           1HG      LYS  23  -5.440   8.909  -0.727
  172    HG3  LYS  23           2HG      LYS  23  -3.953   8.415  -1.512
  173    HD2  LYS  23           1HD      LYS  23  -5.898   8.036  -2.958
  174    HD3  LYS  23           2HD      LYS  23  -5.069   6.540  -2.580
  175    HE2  LYS  23           1HE      LYS  23  -7.430   6.111  -2.485
  176    HE3  LYS  23           2HE      LYS  23  -6.799   6.028  -0.839
  177    HZ1  LYS  23           3HZ      LYS  23  -8.860   7.292  -0.944
  178    HZ2  LYS  23           1HZ      LYS  23  -8.229   8.361  -2.002
  179    HZ3  LYS  23           2HZ      LYS  23  -7.656   8.284  -0.471
  180    H    ASN  24           H        ASN  24  -4.179   4.546   1.842
  181    HA   ASN  24           HA       ASN  24  -2.249   5.192   3.869
  182    HB2  ASN  24           1HB      ASN  24  -4.138   2.856   3.396
  183    HB3  ASN  24           2HB      ASN  24  -2.983   2.844   4.727
  184   HD21  ASN  24          1HD2      ASN  24  -5.704   4.788   3.371
  185   HD22  ASN  24          2HD2      ASN  24  -6.125   5.467   4.946
  186    H    LEU  25           H        LEU  25  -2.195   2.557   1.377
  187    HA   LEU  25           HA       LEU  25   0.375   1.570   2.169
  188    HB2  LEU  25           1HB      LEU  25  -1.077   0.234   0.772
  189    HB3  LEU  25           2HB      LEU  25  -1.099   1.471  -0.483
  190    HG   LEU  25           HG       LEU  25   1.329   1.122  -0.893
  191   HD11  LEU  25          1HD1      LEU  25   1.984   0.269   1.380
  192   HD12  LEU  25          2HD1      LEU  25   2.512  -0.761   0.061
  193   HD13  LEU  25          3HD1      LEU  25   1.101  -1.237   1.031
  194   HD21  LEU  25          3HD2      LEU  25  -0.240  -1.462  -1.003
  195   HD22  LEU  25          1HD2      LEU  25   1.172  -1.015  -1.988
  196   HD23  LEU  25          2HD2      LEU  25  -0.350  -0.131  -2.186
  197    H    ILE  26           H        ILE  26  -0.501   4.121  -0.235
  198    HA   ILE  26           HA       ILE  26   2.181   4.661  -1.066
  199    HB   ILE  26           HB       ILE  26  -0.344   6.334  -1.066
  200   HG12  ILE  26          1HG1      ILE  26   1.269   5.158  -3.378
  201   HG13  ILE  26          2HG1      ILE  26   0.001   4.250  -2.575
  202   HG21  ILE  26          1HG2      ILE  26   0.856   7.935  -2.571
  203   HG22  ILE  26          2HG2      ILE  26   1.504   7.952  -0.942
  204   HG23  ILE  26          3HG2      ILE  26   2.379   7.088  -2.230
  205   HD11  ILE  26          3HD1      ILE  26  -0.385   6.852  -4.101
  206   HD12  ILE  26          1HD1      ILE  26  -0.909   5.229  -4.569
  207   HD13  ILE  26          2HD1      ILE  26  -1.654   6.021  -3.166
  208    H    LYS  27           H        LYS  27   0.283   6.134   1.636
  209    HA   LYS  27           HA       LYS  27   2.439   7.789   2.545
  210    HB2  LYS  27           1HB      LYS  27   0.058   8.109   3.158
  211    HB3  LYS  27           2HB      LYS  27   0.054   6.579   4.031
  212    HG2  LYS  27           1HG      LYS  27   0.170   8.437   5.574
  213    HG3  LYS  27           2HG      LYS  27   1.644   7.476   5.686
  214    HD2  LYS  27           1HD      LYS  27   2.866   9.166   4.343
  215    HD3  LYS  27           2HD      LYS  27   1.365  10.100   4.140
  216    HE2  LYS  27           1HE      LYS  27   1.223  10.364   6.615
  217    HE3  LYS  27           2HE      LYS  27   2.726   9.449   6.798
  218    HZ1  LYS  27           3HZ      LYS  27   2.475  12.043   5.364
  219    HZ2  LYS  27           1HZ      LYS  27   3.866  11.201   5.539
  220    HZ3  LYS  27           2HZ      LYS  27   3.130  11.844   6.843
  221    H    HIS  28           H        HIS  28   1.647   4.384   3.375
  222    HA   HIS  28           HA       HIS  28   3.754   3.989   5.271
  223    HB2  HIS  28           1HB      HIS  28   2.095   2.314   5.070
  224    HB3  HIS  28           2HB      HIS  28   2.305   2.155   3.340
  225    HD1  HIS  28           1HD      HIS  28   3.874   0.961   6.582
  226    HD2  HIS  28           2HD      HIS  28   4.328   0.644   2.420
  227    HE1  HIS  28           1HE      HIS  28   5.586  -0.873   6.217
  228    H    ILE  29           H        ILE  29   3.806   3.726   1.673
  229    HA   ILE  29           HA       ILE  29   6.606   3.106   1.494
  230    HB   ILE  29           HB       ILE  29   4.674   4.327  -0.500
  231   HG12  ILE  29          1HG1      ILE  29   5.884   1.528  -0.447
  232   HG13  ILE  29          2HG1      ILE  29   4.365   1.898   0.345
  233   HG21  ILE  29          1HG2      ILE  29   7.503   3.310  -1.008
  234   HG22  ILE  29          2HG2      ILE  29   6.343   3.810  -2.252
  235   HG23  ILE  29          3HG2      ILE  29   6.972   5.002  -1.128
  236   HD11  ILE  29          3HD1      ILE  29   3.879   0.949  -1.803
  237   HD12  ILE  29          1HD1      ILE  29   3.399   2.656  -1.825
  238   HD13  ILE  29          2HD1      ILE  29   4.895   2.134  -2.637
  239    H    ARG  30           H        ARG  30   4.915   6.295   1.449
  240    HA   ARG  30           HA       ARG  30   7.278   7.893   1.212
  241    HB2  ARG  30           1HB      ARG  30   4.676   8.585   2.644
  242    HB3  ARG  30           2HB      ARG  30   5.956   9.713   2.243
  243    HG2  ARG  30           1HG      ARG  30   4.034   8.369   0.342
  244    HG3  ARG  30           2HG      ARG  30   4.319  10.079   0.623
  245    HD2  ARG  30           1HD      ARG  30   6.628   9.786  -0.326
  246    HD3  ARG  30           2HD      ARG  30   6.195   8.103  -0.715
  247    HE   ARG  30           HE       ARG  30   4.216   9.741  -1.865
  248   HH11  ARG  30          2HH1      ARG  30   7.683   9.235  -2.317
  249   HH12  ARG  30          1HH1      ARG  30   7.585   9.645  -4.014
  250   HH21  ARG  30          2HH2      ARG  30   4.206  10.264  -4.029
  251   HH22  ARG  30          1HH2      ARG  30   5.683  10.214  -4.946
  252    H    ASP  31           H        ASP  31   5.846   6.470   4.117
  253    HA   ASP  31           HA       ASP  31   7.691   7.875   5.881
  254    HB2  ASP  31           1HB      ASP  31   5.324   7.281   6.424
  255    HB3  ASP  31           2HB      ASP  31   5.793   5.580   6.468
  256    H    MET  32           H        MET  32   7.573   4.581   4.526
  257    HA   MET  32           HA       MET  32   9.923   3.780   6.182
  258    HB2  MET  32           1HB      MET  32   7.828   2.142   4.713
  259    HB3  MET  32           2HB      MET  32   9.152   1.476   5.648
  260    HG2  MET  32           1HG      MET  32   6.943   3.242   6.756
  261    HG3  MET  32           2HG      MET  32   7.019   1.494   6.890
  262    HE1  MET  32           3HE      MET  32   8.650   0.140   8.407
  263    HE2  MET  32           1HE      MET  32  10.095   0.857   7.652
  264    HE3  MET  32           2HE      MET  32   9.923   0.859   9.418
  265    H    HIS  33           H        HIS  33   9.102   4.161   2.745
  266    HA   HIS  33           HA       HIS  33  11.660   2.770   2.018
  267    HB2  HIS  33           1HB      HIS  33   9.023   2.531   0.555
  268    HB3  HIS  33           2HB      HIS  33  10.496   1.616   0.257
  269    HD1  HIS  33           1HD      HIS  33  11.160   0.382   3.022
  270    HD2  HIS  33           2HD      HIS  33   7.277   0.930   1.528
  271    HE1  HIS  33           1HE      HIS  33   9.702  -1.284   4.268
  272    H    ASP  34           H        ASP  34  10.304   5.761   1.829
  273    HA   ASP  34           HA       ASP  34  10.399   6.432  -0.882
  274    HB2  ASP  34           1HB      ASP  34   9.379   7.645   1.110
  275    HB3  ASP  34           2HB      ASP  34  10.959   8.354   1.397
  276    HA   PRO  35           HA       PRO  35  14.766   6.375  -1.639
  277    HB2  PRO  35           1HB      PRO  35  14.968   7.635  -4.070
  278    HB3  PRO  35           2HB      PRO  35  14.265   6.004  -3.844
  279    HG2  PRO  35           1HG      PRO  35  12.794   8.655  -4.017
  280    HG3  PRO  35           2HG      PRO  35  12.446   7.137  -4.908
  281    HD2  PRO  35           1HD      PRO  35  11.089   7.794  -2.658
  282    HD3  PRO  35           2HD      PRO  35  11.563   6.097  -2.970
  283    H    GLN  36           H        GLN  36  16.582   7.506  -1.243
  284    HA   GLN  36           HA       GLN  36  16.323  10.133  -0.056
  285    HB2  GLN  36           1HB      GLN  36  18.786   8.383  -0.484
  286    HB3  GLN  36           2HB      GLN  36  18.688   9.822   0.519
  287    HG2  GLN  36           1HG      GLN  36  18.504   8.119   2.074
  288    HG3  GLN  36           2HG      GLN  36  16.842   8.650   1.860
  289   HE21  GLN  36          1HE2      GLN  36  16.687   6.375   2.991
  290   HE22  GLN  36          2HE2      GLN  36  16.535   5.015   1.885
  291    H    ASP  37           H        ASP  37  17.188   9.121  -3.209
  292    HA   ASP  37           HA       ASP  37  18.176  10.028  -5.033
  293    HB2  ASP  37           1HB      ASP  37  16.035  11.178  -4.941
  294    HB3  ASP  37           2HB      ASP  37  16.746  12.495  -4.017
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1  -0.627 -17.696  11.763
    2    H2   GLY   1           2H       GLY   1  -1.926 -18.678  11.936
    3    H3   GLY   1           3H       GLY   1  -1.757 -17.363  12.903
    4    HA2  GLY   1           1HA      GLY   1  -3.425 -16.926  11.234
    5    HA3  GLY   1           2HA      GLY   1  -2.015 -15.870  11.036
    6    H    SER   2           H        SER   2  -3.034 -15.733   8.824
    7    HA   SER   2           HA       SER   2  -2.816 -17.984   7.000
    8    HB2  SER   2           1HB      SER   2  -4.466 -16.202   6.682
    9    HB3  SER   2           2HB      SER   2  -3.165 -15.017   6.444
   10    HG   SER   2           HG       SER   2  -4.101 -15.936   4.480
   11    H    SER   3           H        SER   3  -1.363 -18.344   5.352
   12    HA   SER   3           HA       SER   3   1.374 -17.303   5.607
   13    HB2  SER   3           1HB      SER   3   0.165 -19.212   3.572
   14    HB3  SER   3           2HB      SER   3   1.890 -18.880   3.809
   15    HG   SER   3           HG       SER   3   1.209 -20.791   4.898
   16    H    GLY   4           H        GLY   4  -1.420 -16.217   3.962
   17    HA2  GLY   4           1HA      GLY   4  -0.260 -15.302   1.485
   18    HA3  GLY   4           2HA      GLY   4  -1.804 -14.808   2.167
   19    H    SER   5           H        SER   5   0.384 -13.294   0.826
   20    HA   SER   5           HA       SER   5   0.448 -10.966   2.648
   21    HB2  SER   5           1HB      SER   5   2.877 -10.622   2.299
   22    HB3  SER   5           2HB      SER   5   2.501 -12.050   3.270
   23    HG   SER   5           HG       SER   5   4.082 -12.560   1.734
   24    H    SER   6           H        SER   6   1.923 -12.038  -0.431
   25    HA   SER   6           HA       SER   6   1.176  -9.564  -1.811
   26    HB2  SER   6           1HB      SER   6   2.433 -12.113  -2.885
   27    HB3  SER   6           2HB      SER   6   2.221 -10.601  -3.784
   28    HG   SER   6           HG       SER   6   3.787 -10.992  -1.433
   29    H    GLY   7           H        GLY   7  -0.162  -9.420  -3.707
   30    HA2  GLY   7           1HA      GLY   7  -1.701 -11.415  -4.912
   31    HA3  GLY   7           2HA      GLY   7  -2.651 -10.894  -3.522
   32    H    ILE   8           H        ILE   8  -4.216 -10.323  -5.202
   33    HA   ILE   8           HA       ILE   8  -3.711  -8.022  -6.921
   34    HB   ILE   8           HB       ILE   8  -6.058  -8.207  -7.546
   35   HG12  ILE   8          1HG1      ILE   8  -6.273 -10.492  -5.530
   36   HG13  ILE   8          2HG1      ILE   8  -6.980  -8.889  -5.323
   37   HG21  ILE   8          1HG2      ILE   8  -4.716 -10.944  -7.518
   38   HG22  ILE   8          2HG2      ILE   8  -5.876 -10.317  -8.707
   39   HG23  ILE   8          3HG2      ILE   8  -4.266  -9.605  -8.596
   40   HD11  ILE   8          3HD1      ILE   8  -8.352  -9.242  -7.382
   41   HD12  ILE   8          1HD1      ILE   8  -7.733 -10.911  -7.464
   42   HD13  ILE   8          2HD1      ILE   8  -8.698 -10.392  -6.075
   43    H    LYS   9           H        LYS   9  -4.475  -8.238  -3.645
   44    HA   LYS   9           HA       LYS   9  -5.939  -5.663  -3.449
   45    HB2  LYS   9           1HB      LYS   9  -5.025  -7.584  -1.269
   46    HB3  LYS   9           2HB      LYS   9  -6.123  -6.222  -1.065
   47    HG2  LYS   9           1HG      LYS   9  -6.679  -8.767  -2.646
   48    HG3  LYS   9           2HG      LYS   9  -7.352  -8.311  -1.084
   49    HD2  LYS   9           1HD      LYS   9  -8.486  -6.355  -2.145
   50    HD3  LYS   9           2HD      LYS   9  -7.861  -6.873  -3.729
   51    HE2  LYS   9           1HE      LYS   9  -9.020  -9.050  -3.482
   52    HE3  LYS   9           2HE      LYS   9  -9.642  -8.548  -1.905
   53    HZ1  LYS   9           3HZ      LYS   9 -10.851  -6.750  -3.025
   54    HZ2  LYS   9           1HZ      LYS   9 -11.284  -8.189  -3.659
   55    HZ3  LYS   9           2HZ      LYS   9 -10.275  -7.208  -4.486
   56    H    GLN  10           H        GLN  10  -5.163  -4.269  -1.505
   57    HA   GLN  10           HA       GLN  10  -2.698  -3.052  -2.386
   58    HB2  GLN  10           1HB      GLN  10  -4.579  -2.485  -0.068
   59    HB3  GLN  10           2HB      GLN  10  -3.130  -1.543  -0.380
   60    HG2  GLN  10           1HG      GLN  10  -4.974  -0.366  -1.303
   61    HG3  GLN  10           2HG      GLN  10  -3.999  -0.960  -2.644
   62   HE21  GLN  10          1HE2      GLN  10  -7.040  -1.674  -0.735
   63   HE22  GLN  10          2HE2      GLN  10  -7.819  -2.441  -2.106
   64    H    HIS  11           H        HIS  11  -0.746  -3.917  -1.990
   65    HA   HIS  11           HA       HIS  11   0.044  -4.305   0.813
   66    HB2  HIS  11           1HB      HIS  11   1.094  -6.404   0.520
   67    HB3  HIS  11           2HB      HIS  11  -0.555  -6.583  -0.051
   68    HD1  HIS  11           1HD      HIS  11   3.065  -6.457  -1.387
   69    HD2  HIS  11           2HD      HIS  11  -0.884  -7.195  -2.659
   70    HE1  HIS  11           1HE      HIS  11   3.243  -7.550  -3.681
   71    H    CYS  12           H        CYS  12   2.247  -4.116   1.225
   72    HA   CYS  12           HA       CYS  12   3.756  -2.254  -0.372
   73    HB2  CYS  12           1HB      CYS  12   3.747  -2.471   2.099
   74    HB3  CYS  12           2HB      CYS  12   4.533  -4.051   1.951
   75    H    ARG  13           H        ARG  13   5.551  -2.578  -1.614
   76    HA   ARG  13           HA       ARG  13   6.131  -5.351  -2.576
   77    HB2  ARG  13           1HB      ARG  13   7.212  -4.382  -4.470
   78    HB3  ARG  13           2HB      ARG  13   5.589  -3.727  -4.294
   79    HG2  ARG  13           1HG      ARG  13   6.562  -1.627  -3.319
   80    HG3  ARG  13           2HG      ARG  13   8.190  -2.294  -3.568
   81    HD2  ARG  13           1HD      ARG  13   7.694  -2.512  -6.014
   82    HD3  ARG  13           2HD      ARG  13   6.096  -1.832  -5.736
   83    HE   ARG  13           HE       ARG  13   6.986   0.302  -5.473
   84   HH11  ARG  13          2HH1      ARG  13   9.681  -1.926  -5.752
   85   HH12  ARG  13          1HH1      ARG  13  10.799  -0.657  -6.168
   86   HH21  ARG  13          2HH2      ARG  13   8.459   1.856  -6.040
   87   HH22  ARG  13          1HH2      ARG  13  10.117   1.424  -6.326
   88    H    PHE  14           H        PHE  14   7.448  -2.990  -0.470
   89    HA   PHE  14           HA       PHE  14  10.227  -3.966  -0.741
   90    HB2  PHE  14           1HB      PHE  14   9.041  -1.912   1.132
   91    HB3  PHE  14           2HB      PHE  14  10.744  -2.216   0.873
   92    HD1  PHE  14           1HD      PHE  14   7.676  -0.692  -0.535
   93    HD2  PHE  14           2HD      PHE  14  11.892  -1.392  -1.137
   94    HE1  PHE  14           1HE      PHE  14   7.725   1.088  -2.263
   95    HE2  PHE  14           2HE      PHE  14  11.937   0.404  -2.853
   96    HZ   PHE  14           HZ       PHE  14   9.863   1.663  -3.394
   97    H    CYS  15           H        CYS  15   7.649  -3.939   1.745
   98    HA   CYS  15           HA       CYS  15   9.117  -6.050   3.256
   99    HB2  CYS  15           1HB      CYS  15   8.489  -5.073   5.317
  100    HB3  CYS  15           2HB      CYS  15   9.326  -3.879   4.336
  101    H    LYS  16           H        LYS  16   6.481  -5.737   1.401
  102    HA   LYS  16           HA       LYS  16   4.650  -7.002   0.987
  103    HB2  LYS  16           1HB      LYS  16   6.563  -8.922   2.248
  104    HB3  LYS  16           2HB      LYS  16   4.926  -9.471   1.996
  105    HG2  LYS  16           1HG      LYS  16   6.226 -10.100   0.104
  106    HG3  LYS  16           2HG      LYS  16   5.002  -8.935  -0.371
  107    HD2  LYS  16           1HD      LYS  16   7.083  -8.569  -1.560
  108    HD3  LYS  16           2HD      LYS  16   6.698  -7.165  -0.564
  109    HE2  LYS  16           1HE      LYS  16   8.367  -7.758   1.076
  110    HE3  LYS  16           2HE      LYS  16   8.586  -9.365   0.376
  111    HZ1  LYS  16           3HZ      LYS  16  10.341  -7.707  -0.243
  112    HZ2  LYS  16           1HZ      LYS  16   9.233  -6.885  -1.132
  113    HZ3  LYS  16           2HZ      LYS  16   9.626  -8.415  -1.530
  114    H    LYS  17           H        LYS  17   4.667  -5.553   3.776
  115    HA   LYS  17           HA       LYS  17   2.491  -6.848   5.168
  116    HB2  LYS  17           1HB      LYS  17   3.391  -3.937   5.204
  117    HB3  LYS  17           2HB      LYS  17   2.207  -4.681   6.297
  118    HG2  LYS  17           1HG      LYS  17   3.945  -6.263   7.113
  119    HG3  LYS  17           2HG      LYS  17   5.138  -5.511   6.040
  120    HD2  LYS  17           1HD      LYS  17   4.810  -3.336   7.218
  121    HD3  LYS  17           2HD      LYS  17   3.674  -4.134   8.332
  122    HE2  LYS  17           1HE      LYS  17   5.483  -5.734   8.985
  123    HE3  LYS  17           2HE      LYS  17   6.601  -4.897   7.898
  124    HZ1  LYS  17           3HZ      LYS  17   6.320  -2.895   9.257
  125    HZ2  LYS  17           1HZ      LYS  17   6.838  -4.127  10.191
  126    HZ3  LYS  17           2HZ      LYS  17   5.276  -3.662  10.258
  127    H    LYS  18           H        LYS  18   0.346  -6.269   5.302
  128    HA   LYS  18           HA       LYS  18  -0.890  -5.465   2.715
  129    HB2  LYS  18           1HB      LYS  18  -1.820  -7.039   5.132
  130    HB3  LYS  18           2HB      LYS  18  -2.918  -6.550   3.827
  131    HG2  LYS  18           1HG      LYS  18  -1.596  -7.799   2.175
  132    HG3  LYS  18           2HG      LYS  18  -0.390  -8.207   3.391
  133    HD2  LYS  18           1HD      LYS  18  -1.831 -10.128   2.994
  134    HD3  LYS  18           2HD      LYS  18  -2.000  -9.543   4.644
  135    HE2  LYS  18           1HE      LYS  18  -4.174 -10.144   3.844
  136    HE3  LYS  18           2HE      LYS  18  -4.126  -8.391   4.021
  137    HZ1  LYS  18           3HZ      LYS  18  -3.808  -9.863   1.452
  138    HZ2  LYS  18           1HZ      LYS  18  -3.795  -8.232   1.602
  139    HZ3  LYS  18           2HZ      LYS  18  -5.157  -9.074   1.923
  140    H    TYR  19           H        TYR  19  -2.537  -4.030   2.521
  141    HA   TYR  19           HA       TYR  19  -3.292  -2.277   4.804
  142    HB2  TYR  19           1HB      TYR  19  -1.966  -1.464   2.205
  143    HB3  TYR  19           2HB      TYR  19  -3.109  -0.379   2.976
  144    HD1  TYR  19           1HD      TYR  19  -2.736   0.549   5.212
  145    HD2  TYR  19           2HD      TYR  19   0.260  -1.864   3.258
  146    HE1  TYR  19           1HE      TYR  19  -1.061   1.275   6.898
  147    HE2  TYR  19           2HE      TYR  19   1.935  -1.147   4.963
  148    HH   TYR  19           HH       TYR  19   1.058   1.030   7.684
  149    H    SER  20           H        SER  20  -5.242  -1.029   4.427
  150    HA   SER  20           HA       SER  20  -7.264  -2.555   2.952
  151    HB2  SER  20           1HB      SER  20  -7.533   0.013   4.552
  152    HB3  SER  20           2HB      SER  20  -8.855  -1.013   3.965
  153    HG   SER  20           HG       SER  20  -8.316  -1.460   6.157
  154    H    ASP  21           H        ASP  21  -5.773   0.680   2.634
  155    HA   ASP  21           HA       ASP  21  -7.191   1.104   0.033
  156    HB2  ASP  21           1HB      ASP  21  -6.840   3.038   2.353
  157    HB3  ASP  21           2HB      ASP  21  -7.352   3.516   0.737
  158    H    VAL  22           H        VAL  22  -6.148   2.291  -1.536
  159    HA   VAL  22           HA       VAL  22  -3.355   1.922  -1.705
  160    HB   VAL  22           HB       VAL  22  -4.965   2.117  -3.584
  161   HG11  VAL  22          1HG1      VAL  22  -5.492   4.213  -4.627
  162   HG12  VAL  22          2HG1      VAL  22  -6.116   4.229  -2.974
  163   HG13  VAL  22          3HG1      VAL  22  -4.627   5.123  -3.382
  164   HG21  VAL  22          3HG2      VAL  22  -2.536   2.063  -3.945
  165   HG22  VAL  22          1HG2      VAL  22  -3.368   3.029  -5.173
  166   HG23  VAL  22          2HG2      VAL  22  -2.488   3.838  -3.863
  167    H    LYS  23           H        LYS  23  -5.170   4.854  -0.752
  168    HA   LYS  23           HA       LYS  23  -2.961   6.572  -0.816
  169    HB2  LYS  23           1HB      LYS  23  -5.404   6.734   1.011
  170    HB3  LYS  23           2HB      LYS  23  -4.366   8.087   0.530
  171    HG2  LYS  23           1HG      LYS  23  -4.994   7.693  -1.860
  172    HG3  LYS  23           2HG      LYS  23  -6.105   6.415  -1.359
  173    HD2  LYS  23           1HD      LYS  23  -6.310   9.335  -0.607
  174    HD3  LYS  23           2HD      LYS  23  -7.272   8.457  -1.816
  175    HE2  LYS  23           1HE      LYS  23  -8.169   6.978  -0.024
  176    HE3  LYS  23           2HE      LYS  23  -7.262   7.901   1.184
  177    HZ1  LYS  23           3HZ      LYS  23  -9.553   8.679   1.025
  178    HZ2  LYS  23           1HZ      LYS  23  -9.391   9.020  -0.561
  179    HZ3  LYS  23           2HZ      LYS  23  -8.548   9.873   0.550
  180    H    ASN  24           H        ASN  24  -4.110   4.464   1.785
  181    HA   ASN  24           HA       ASN  24  -2.212   5.383   3.786
  182    HB2  ASN  24           1HB      ASN  24  -4.489   4.266   4.156
  183    HB3  ASN  24           2HB      ASN  24  -3.725   2.740   3.703
  184   HD21  ASN  24          1HD2      ASN  24  -4.755   2.512   6.045
  185   HD22  ASN  24          2HD2      ASN  24  -3.608   2.788   7.346
  186    H    LEU  25           H        LEU  25  -2.271   2.699   1.404
  187    HA   LEU  25           HA       LEU  25   0.260   1.557   2.072
  188    HB2  LEU  25           1HB      LEU  25  -1.376   0.426   0.678
  189    HB3  LEU  25           2HB      LEU  25  -1.314   1.710  -0.523
  190    HG   LEU  25           HG       LEU  25   1.015   1.132  -1.089
  191   HD11  LEU  25          1HD1      LEU  25   2.002  -0.950  -0.264
  192   HD12  LEU  25          2HD1      LEU  25   0.643  -1.186   0.861
  193   HD13  LEU  25          3HD1      LEU  25   1.772   0.174   1.070
  194   HD21  LEU  25          3HD2      LEU  25  -0.866  -1.255  -1.138
  195   HD22  LEU  25          1HD2      LEU  25   0.521  -0.977  -2.212
  196   HD23  LEU  25          2HD2      LEU  25  -0.882   0.099  -2.292
  197    H    ILE  26           H        ILE  26  -0.536   4.242  -0.210
  198    HA   ILE  26           HA       ILE  26   2.189   4.735  -0.986
  199    HB   ILE  26           HB       ILE  26  -0.310   6.451  -1.049
  200   HG12  ILE  26          1HG1      ILE  26   1.350   5.205  -3.298
  201   HG13  ILE  26          2HG1      ILE  26  -0.016   4.384  -2.563
  202   HG21  ILE  26          1HG2      ILE  26   2.463   7.137  -2.143
  203   HG22  ILE  26          2HG2      ILE  26   0.973   8.036  -2.504
  204   HG23  ILE  26          3HG2      ILE  26   1.590   8.014  -0.864
  205   HD11  ILE  26          3HD1      ILE  26  -0.147   6.996  -4.119
  206   HD12  ILE  26          1HD1      ILE  26  -0.749   5.410  -4.608
  207   HD13  ILE  26          2HD1      ILE  26  -1.516   6.259  -3.249
  208    H    LYS  27           H        LYS  27   0.227   6.162   1.692
  209    HA   LYS  27           HA       LYS  27   2.333   7.822   2.722
  210    HB2  LYS  27           1HB      LYS  27  -0.107   6.550   4.016
  211    HB3  LYS  27           2HB      LYS  27   1.017   7.581   4.911
  212    HG2  LYS  27           1HG      LYS  27   0.630   9.454   3.402
  213    HG3  LYS  27           2HG      LYS  27  -0.425   8.472   2.377
  214    HD2  LYS  27           1HD      LYS  27  -2.007   8.180   4.271
  215    HD3  LYS  27           2HD      LYS  27  -0.943   9.163   5.304
  216    HE2  LYS  27           1HE      LYS  27  -1.201  11.072   3.714
  217    HE3  LYS  27           2HE      LYS  27  -2.293  10.093   2.725
  218    HZ1  LYS  27           3HZ      LYS  27  -3.807   9.981   4.644
  219    HZ2  LYS  27           1HZ      LYS  27  -3.523  11.537   4.244
  220    HZ3  LYS  27           2HZ      LYS  27  -2.792  10.888   5.548
  221    H    HIS  28           H        HIS  28   1.633   4.370   3.403
  222    HA   HIS  28           HA       HIS  28   3.752   3.959   5.280
  223    HB2  HIS  28           1HB      HIS  28   2.073   2.291   5.007
  224    HB3  HIS  28           2HB      HIS  28   2.366   2.131   3.288
  225    HD1  HIS  28           1HD      HIS  28   3.800   0.962   6.607
  226    HD2  HIS  28           2HD      HIS  28   4.387   0.588   2.470
  227    HE1  HIS  28           1HE      HIS  28   5.495  -0.906   6.321
  228    H    ILE  29           H        ILE  29   3.794   3.613   1.681
  229    HA   ILE  29           HA       ILE  29   6.576   2.984   1.488
  230    HB   ILE  29           HB       ILE  29   4.633   4.221  -0.476
  231   HG12  ILE  29          1HG1      ILE  29   5.833   1.418  -0.462
  232   HG13  ILE  29          2HG1      ILE  29   4.336   1.798   0.372
  233   HG21  ILE  29          1HG2      ILE  29   6.292   3.663  -2.265
  234   HG22  ILE  29          2HG2      ILE  29   6.877   4.918  -1.191
  235   HG23  ILE  29          3HG2      ILE  29   7.479   3.258  -1.010
  236   HD11  ILE  29          3HD1      ILE  29   3.328   2.587  -1.774
  237   HD12  ILE  29          1HD1      ILE  29   4.790   2.031  -2.624
  238   HD13  ILE  29          2HD1      ILE  29   3.771   0.869  -1.761
  239    H    ARG  30           H        ARG  30   4.953   6.194   1.355
  240    HA   ARG  30           HA       ARG  30   7.445   7.641   1.076
  241    HB2  ARG  30           1HB      ARG  30   4.650   8.564   1.848
  242    HB3  ARG  30           2HB      ARG  30   6.019   9.638   1.609
  243    HG2  ARG  30           1HG      ARG  30   6.046   8.079  -0.737
  244    HG3  ARG  30           2HG      ARG  30   4.328   8.287  -0.397
  245    HD2  ARG  30           1HD      ARG  30   5.031  10.085  -1.829
  246    HD3  ARG  30           2HD      ARG  30   4.711  10.762  -0.220
  247    HE   ARG  30           HE       ARG  30   7.508   9.956  -0.663
  248   HH11  ARG  30          2HH1      ARG  30   5.366  12.678  -1.219
  249   HH12  ARG  30          1HH1      ARG  30   6.680  13.821  -1.156
  250   HH21  ARG  30          2HH2      ARG  30   9.078  11.424  -0.460
  251   HH22  ARG  30          1HH2      ARG  30   8.756  13.116  -0.776
  252    H    ASP  31           H        ASP  31   6.136   6.212   3.882
  253    HA   ASP  31           HA       ASP  31   7.755   7.974   5.660
  254    HB2  ASP  31           1HB      ASP  31   5.380   7.491   6.207
  255    HB3  ASP  31           2HB      ASP  31   5.784   5.778   6.355
  256    H    MET  32           H        MET  32   7.602   4.603   4.527
  257    HA   MET  32           HA       MET  32   9.932   3.869   6.240
  258    HB2  MET  32           1HB      MET  32   7.846   2.193   4.796
  259    HB3  MET  32           2HB      MET  32   9.159   1.547   5.769
  260    HG2  MET  32           1HG      MET  32   6.929   3.347   6.782
  261    HG3  MET  32           2HG      MET  32   7.019   1.606   6.988
  262    HE1  MET  32           3HE      MET  32   9.912   1.115   9.570
  263    HE2  MET  32           1HE      MET  32   8.674   0.333   8.563
  264    HE3  MET  32           2HE      MET  32  10.114   1.061   7.808
  265    H    HIS  33           H        HIS  33   9.119   4.184   2.820
  266    HA   HIS  33           HA       HIS  33  11.706   2.902   2.041
  267    HB2  HIS  33           1HB      HIS  33   9.079   2.444   0.609
  268    HB3  HIS  33           2HB      HIS  33  10.592   1.573   0.407
  269    HD1  HIS  33           1HD      HIS  33  11.214   0.395   3.166
  270    HD2  HIS  33           2HD      HIS  33   7.328   0.936   1.670
  271    HE1  HIS  33           1HE      HIS  33   9.752  -1.237   4.449
  272    H    ASP  34           H        ASP  34  10.683   5.798   2.111
  273    HA   ASP  34           HA       ASP  34   9.866   6.619  -0.399
  274    HB2  ASP  34           1HB      ASP  34   9.732   7.813   1.817
  275    HB3  ASP  34           2HB      ASP  34  11.380   8.371   1.553
  276    HA   PRO  35           HA       PRO  35  13.642   6.532  -2.875
  277    HB2  PRO  35           1HB      PRO  35  12.033   8.427  -4.592
  278    HB3  PRO  35           2HB      PRO  35  13.033   7.024  -5.088
  279    HG2  PRO  35           1HG      PRO  35  10.346   6.772  -4.946
  280    HG3  PRO  35           2HG      PRO  35  11.391   5.477  -4.270
  281    HD2  PRO  35           1HD      PRO  35   9.999   7.730  -2.794
  282    HD3  PRO  35           2HD      PRO  35  10.077   5.987  -2.394
  283    H    GLN  36           H        GLN  36  15.484   7.769  -2.960
  284    HA   GLN  36           HA       GLN  36  15.541  10.631  -2.486
  285    HB2  GLN  36           1HB      GLN  36  16.672  10.456  -0.307
  286    HB3  GLN  36           2HB      GLN  36  15.029   9.834  -0.246
  287    HG2  GLN  36           1HG      GLN  36  16.065   7.472  -0.526
  288    HG3  GLN  36           2HG      GLN  36  17.622   8.242  -0.214
  289   HE21  GLN  36          1HE2      GLN  36  14.387   7.541   1.154
  290   HE22  GLN  36          2HE2      GLN  36  14.892   7.752   2.833
  291    H    ASP  37           H        ASP  37  17.546  11.486  -2.735
  292    HA   ASP  37           HA       ASP  37  19.901   9.839  -3.487
  293    HB2  ASP  37           1HB      ASP  37  18.657  10.192  -5.580
  294    HB3  ASP  37           2HB      ASP  37  18.629  11.928  -5.298
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1  -4.553 -16.619  10.799
    2    H2   GLY   1           2H       GLY   1  -5.136 -17.966  11.521
    3    H3   GLY   1           3H       GLY   1  -3.541 -17.604  11.634
    4    HA2  GLY   1           1HA      GLY   1  -4.678 -17.111  13.712
    5    HA3  GLY   1           2HA      GLY   1  -3.993 -15.658  12.957
    6    H    SER   2           H        SER   2  -5.381 -13.994  13.247
    7    HA   SER   2           HA       SER   2  -8.292 -14.266  13.242
    8    HB2  SER   2           1HB      SER   2  -8.190 -11.775  13.548
    9    HB3  SER   2           2HB      SER   2  -7.357 -12.728  14.781
   10    HG   SER   2           HG       SER   2  -6.100 -10.938  14.047
   11    H    SER   3           H        SER   3  -7.341 -15.283  10.913
   12    HA   SER   3           HA       SER   3  -7.027 -13.425   8.749
   13    HB2  SER   3           1HB      SER   3  -7.519 -16.421   8.657
   14    HB3  SER   3           2HB      SER   3  -6.771 -15.427   7.398
   15    HG   SER   3           HG       SER   3  -5.008 -15.079   8.734
   16    H    GLY   4           H        GLY   4  -8.289 -13.177   6.860
   17    HA2  GLY   4           1HA      GLY   4 -10.850 -14.292   6.354
   18    HA3  GLY   4           2HA      GLY   4 -11.079 -12.778   7.233
   19    H    SER   5           H        SER   5 -12.248 -12.440   5.092
   20    HA   SER   5           HA       SER   5 -10.637 -11.785   2.744
   21    HB2  SER   5           1HB      SER   5 -12.850 -11.283   1.737
   22    HB3  SER   5           2HB      SER   5 -12.746 -12.898   2.451
   23    HG   SER   5           HG       SER   5 -14.696 -11.807   3.023
   24    H    SER   6           H        SER   6 -10.992 -10.041   5.485
   25    HA   SER   6           HA       SER   6 -11.959  -7.523   4.775
   26    HB2  SER   6           1HB      SER   6  -9.803  -8.155   6.821
   27    HB3  SER   6           2HB      SER   6 -10.839  -6.714   6.784
   28    HG   SER   6           HG       SER   6 -11.648  -8.301   8.227
   29    H    GLY   7           H        GLY   7 -11.053  -5.528   4.316
   30    HA2  GLY   7           1HA      GLY   7  -9.595  -3.981   3.396
   31    HA3  GLY   7           2HA      GLY   7  -8.259  -5.109   3.620
   32    H    ILE   8           H        ILE   8  -7.451  -4.486   1.555
   33    HA   ILE   8           HA       ILE   8  -8.791  -5.769  -0.785
   34    HB   ILE   8           HB       ILE   8  -8.099  -3.900  -2.207
   35   HG12  ILE   8          1HG1      ILE   8  -7.375  -2.424   0.359
   36   HG13  ILE   8          2HG1      ILE   8  -6.216  -3.050  -0.805
   37   HG21  ILE   8          1HG2      ILE   8  -9.901  -2.422  -1.647
   38   HG22  ILE   8          2HG2      ILE   8 -10.386  -4.056  -1.189
   39   HG23  ILE   8          3HG2      ILE   8  -9.860  -2.906   0.060
   40   HD11  ILE   8          3HD1      ILE   8  -7.240  -1.559  -2.561
   41   HD12  ILE   8          1HD1      ILE   8  -8.254  -0.840  -1.288
   42   HD13  ILE   8          2HD1      ILE   8  -6.493  -0.697  -1.201
   43    H    LYS   9           H        LYS   9  -7.054  -5.657  -2.716
   44    HA   LYS   9           HA       LYS   9  -4.918  -7.447  -1.854
   45    HB2  LYS   9           1HB      LYS   9  -5.582  -6.302  -4.601
   46    HB3  LYS   9           2HB      LYS   9  -4.448  -7.611  -4.290
   47    HG2  LYS   9           1HG      LYS   9  -7.453  -7.708  -3.809
   48    HG3  LYS   9           2HG      LYS   9  -6.559  -8.465  -5.129
   49    HD2  LYS   9           1HD      LYS   9  -5.272  -9.801  -3.396
   50    HD3  LYS   9           2HD      LYS   9  -6.391  -9.196  -2.169
   51    HE2  LYS   9           1HE      LYS   9  -7.172 -10.777  -4.662
   52    HE3  LYS   9           2HE      LYS   9  -6.953 -11.471  -3.055
   53    HZ1  LYS   9           3HZ      LYS   9  -9.283 -11.020  -3.475
   54    HZ2  LYS   9           1HZ      LYS   9  -9.007  -9.442  -3.765
   55    HZ3  LYS   9           2HZ      LYS   9  -8.779 -10.057  -2.263
   56    H    GLN  10           H        GLN  10  -4.902  -4.124  -1.804
   57    HA   GLN  10           HA       GLN  10  -2.340  -3.539  -2.968
   58    HB2  GLN  10           1HB      GLN  10  -4.043  -2.040  -0.942
   59    HB3  GLN  10           2HB      GLN  10  -2.552  -1.398  -1.607
   60    HG2  GLN  10           1HG      GLN  10  -4.968  -2.191  -3.291
   61    HG3  GLN  10           2HG      GLN  10  -4.607  -0.559  -2.744
   62   HE21  GLN  10          1HE2      GLN  10  -4.918  -0.778  -5.405
   63   HE22  GLN  10          2HE2      GLN  10  -3.352  -0.721  -6.204
   64    H    HIS  11           H        HIS  11  -0.423  -4.096  -2.322
   65    HA   HIS  11           HA       HIS  11   0.242  -4.350   0.542
   66    HB2  HIS  11           1HB      HIS  11   1.311  -6.514   0.171
   67    HB3  HIS  11           2HB      HIS  11  -0.405  -6.586  -0.200
   68    HD1  HIS  11           1HD      HIS  11  -1.032  -6.828  -2.872
   69    HD2  HIS  11           2HD      HIS  11   3.044  -6.992  -1.813
   70    HE1  HIS  11           1HE      HIS  11   0.202  -7.773  -4.900
   71    H    CYS  12           H        CYS  12   2.433  -4.297   1.067
   72    HA   CYS  12           HA       CYS  12   3.965  -2.348  -0.359
   73    HB2  CYS  12           1HB      CYS  12   3.874  -2.585   2.082
   74    HB3  CYS  12           2HB      CYS  12   4.682  -4.164   1.959
   75    H    ARG  13           H        ARG  13   5.625  -2.461  -1.637
   76    HA   ARG  13           HA       ARG  13   6.405  -4.993  -2.925
   77    HB2  ARG  13           1HB      ARG  13   6.141  -2.318  -3.776
   78    HB3  ARG  13           2HB      ARG  13   7.872  -2.551  -3.737
   79    HG2  ARG  13           1HG      ARG  13   5.742  -4.130  -5.238
   80    HG3  ARG  13           2HG      ARG  13   6.857  -2.948  -5.920
   81    HD2  ARG  13           1HD      ARG  13   7.535  -5.699  -4.827
   82    HD3  ARG  13           2HD      ARG  13   7.554  -5.133  -6.492
   83    HE   ARG  13           HE       ARG  13   9.524  -4.589  -4.359
   84   HH11  ARG  13          2HH1      ARG  13   8.654  -3.804  -7.669
   85   HH12  ARG  13          1HH1      ARG  13  10.225  -3.136  -8.018
   86   HH21  ARG  13          2HH2      ARG  13  11.499  -3.751  -4.882
   87   HH22  ARG  13          1HH2      ARG  13  11.796  -3.112  -6.473
   88    H    PHE  14           H        PHE  14   7.468  -3.347  -0.204
   89    HA   PHE  14           HA       PHE  14  10.309  -4.268  -0.524
   90    HB2  PHE  14           1HB      PHE  14   9.290  -1.883   1.023
   91    HB3  PHE  14           2HB      PHE  14  10.960  -2.281   0.662
   92    HD1  PHE  14           2HD      PHE  14  11.776  -2.130  -1.754
   93    HD2  PHE  14           1HD      PHE  14   7.915  -0.657  -0.518
   94    HE1  PHE  14           2HE      PHE  14  11.620  -0.777  -3.835
   95    HE2  PHE  14           1HE      PHE  14   7.768   0.700  -2.592
   96    HZ   PHE  14           HZ       PHE  14   9.618   0.637  -4.256
   97    H    CYS  15           H        CYS  15   7.585  -4.136   1.755
   98    HA   CYS  15           HA       CYS  15   9.038  -6.076   3.461
   99    HB2  CYS  15           1HB      CYS  15   8.586  -4.954   5.484
  100    HB3  CYS  15           2HB      CYS  15   9.405  -3.843   4.403
  101    H    LYS  16           H        LYS  16   6.593  -5.948   1.560
  102    HA   LYS  16           HA       LYS  16   4.747  -7.159   1.162
  103    HB2  LYS  16           1HB      LYS  16   6.171  -9.049   3.047
  104    HB3  LYS  16           2HB      LYS  16   4.836  -9.508   1.983
  105    HG2  LYS  16           1HG      LYS  16   6.105  -8.771   0.004
  106    HG3  LYS  16           2HG      LYS  16   7.482  -8.337   1.033
  107    HD2  LYS  16           1HD      LYS  16   7.677 -10.665   1.803
  108    HD3  LYS  16           2HD      LYS  16   6.312 -11.151   0.786
  109    HE2  LYS  16           1HE      LYS  16   8.825  -9.805  -0.292
  110    HE3  LYS  16           2HE      LYS  16   8.687 -11.560  -0.124
  111    HZ1  LYS  16           3HZ      LYS  16   6.777 -11.500  -1.631
  112    HZ2  LYS  16           1HZ      LYS  16   8.089 -10.868  -2.359
  113    HZ3  LYS  16           2HZ      LYS  16   6.912  -9.880  -1.813
  114    H    LYS  17           H        LYS  17   4.488  -5.455   3.797
  115    HA   LYS  17           HA       LYS  17   2.179  -6.630   5.133
  116    HB2  LYS  17           1HB      LYS  17   3.106  -3.737   4.927
  117    HB3  LYS  17           2HB      LYS  17   1.807  -4.357   5.968
  118    HG2  LYS  17           1HG      LYS  17   3.374  -5.655   7.291
  119    HG3  LYS  17           2HG      LYS  17   4.663  -5.417   6.107
  120    HD2  LYS  17           1HD      LYS  17   4.582  -2.930   6.606
  121    HD3  LYS  17           2HD      LYS  17   3.453  -3.290   7.915
  122    HE2  LYS  17           1HE      LYS  17   5.717  -3.053   8.787
  123    HE3  LYS  17           2HE      LYS  17   5.158  -4.712   9.013
  124    HZ1  LYS  17           3HZ      LYS  17   6.880  -3.869   6.729
  125    HZ2  LYS  17           1HZ      LYS  17   6.499  -5.393   7.140
  126    HZ3  LYS  17           2HZ      LYS  17   7.471  -4.518   8.124
  127    H    LYS  18           H        LYS  18   0.032  -5.480   5.163
  128    HA   LYS  18           HA       LYS  18  -0.830  -4.627   2.442
  129    HB2  LYS  18           1HB      LYS  18  -2.390  -6.294   2.218
  130    HB3  LYS  18           2HB      LYS  18  -0.973  -7.071   2.904
  131    HG2  LYS  18           1HG      LYS  18  -2.778  -8.090   3.957
  132    HG3  LYS  18           2HG      LYS  18  -2.048  -7.049   5.162
  133    HD2  LYS  18           1HD      LYS  18  -4.554  -7.135   5.210
  134    HD3  LYS  18           2HD      LYS  18  -3.904  -5.522   5.095
  135    HE2  LYS  18           1HE      LYS  18  -5.782  -5.610   3.636
  136    HE3  LYS  18           2HE      LYS  18  -4.353  -5.532   2.616
  137    HZ1  LYS  18           3HZ      LYS  18  -5.772  -7.172   1.730
  138    HZ2  LYS  18           1HZ      LYS  18  -6.011  -7.932   3.171
  139    HZ3  LYS  18           2HZ      LYS  18  -4.558  -8.022   2.414
  140    H    TYR  19           H        TYR  19  -2.850  -3.607   2.235
  141    HA   TYR  19           HA       TYR  19  -3.797  -2.190   4.695
  142    HB2  TYR  19           1HB      TYR  19  -2.862  -0.970   2.075
  143    HB3  TYR  19           2HB      TYR  19  -3.777  -0.089   3.293
  144    HD1  TYR  19           1HD      TYR  19  -2.864   0.305   5.572
  145    HD2  TYR  19           2HD      TYR  19  -0.486  -1.497   2.457
  146    HE1  TYR  19           1HE      TYR  19  -0.808   0.643   6.941
  147    HE2  TYR  19           2HE      TYR  19   1.569  -1.156   3.828
  148    HH   TYR  19           HH       TYR  19   2.416  -0.421   5.832
  149    H    SER  20           H        SER  20  -5.787  -1.001   4.477
  150    HA   SER  20           HA       SER  20  -7.835  -2.501   2.989
  151    HB2  SER  20           1HB      SER  20  -9.387  -1.177   4.424
  152    HB3  SER  20           2HB      SER  20  -8.213  -2.142   5.333
  153    HG   SER  20           HG       SER  20  -8.392   0.015   6.138
  154    H    ASP  21           H        ASP  21  -6.110   0.442   2.555
  155    HA   ASP  21           HA       ASP  21  -7.617   0.986   0.115
  156    HB2  ASP  21           1HB      ASP  21  -8.656   2.337   2.083
  157    HB3  ASP  21           2HB      ASP  21  -7.183   3.302   2.019
  158    H    VAL  22           H        VAL  22  -6.381   2.341  -1.360
  159    HA   VAL  22           HA       VAL  22  -3.601   1.581  -1.336
  160    HB   VAL  22           HB       VAL  22  -5.056   1.845  -3.339
  161   HG11  VAL  22          1HG1      VAL  22  -5.311   3.961  -4.463
  162   HG12  VAL  22          2HG1      VAL  22  -6.062   4.054  -2.866
  163   HG13  VAL  22          3HG1      VAL  22  -4.478   4.821  -3.160
  164   HG21  VAL  22          3HG2      VAL  22  -2.602   1.592  -3.510
  165   HG22  VAL  22          1HG2      VAL  22  -3.291   2.538  -4.839
  166   HG23  VAL  22          2HG2      VAL  22  -2.435   3.359  -3.521
  167    H    LYS  23           H        LYS  23  -5.204   4.533  -0.328
  168    HA   LYS  23           HA       LYS  23  -2.901   6.205  -0.581
  169    HB2  LYS  23           1HB      LYS  23  -5.261   6.691   1.300
  170    HB3  LYS  23           2HB      LYS  23  -4.085   7.869   0.732
  171    HG2  LYS  23           1HG      LYS  23  -5.724   8.375  -0.759
  172    HG3  LYS  23           2HG      LYS  23  -4.965   7.076  -1.685
  173    HD2  LYS  23           1HD      LYS  23  -6.655   5.497  -0.552
  174    HD3  LYS  23           2HD      LYS  23  -7.457   6.936   0.079
  175    HE2  LYS  23           1HE      LYS  23  -7.882   7.725  -2.217
  176    HE3  LYS  23           2HE      LYS  23  -6.957   6.368  -2.878
  177    HZ1  LYS  23           3HZ      LYS  23  -9.474   6.125  -1.323
  178    HZ2  LYS  23           1HZ      LYS  23  -8.590   4.859  -1.808
  179    HZ3  LYS  23           2HZ      LYS  23  -9.310   5.834  -2.927
  180    H    ASN  24           H        ASN  24  -4.043   4.168   2.059
  181    HA   ASN  24           HA       ASN  24  -2.117   5.018   4.043
  182    HB2  ASN  24           1HB      ASN  24  -3.690   2.421   3.703
  183    HB3  ASN  24           2HB      ASN  24  -2.742   2.848   5.126
  184   HD21  ASN  24          1HD2      ASN  24  -3.468   4.635   6.490
  185   HD22  ASN  24          2HD2      ASN  24  -5.140   5.163   6.380
  186    H    LEU  25           H        LEU  25  -2.050   2.499   1.485
  187    HA   LEU  25           HA       LEU  25   0.561   1.492   2.148
  188    HB2  LEU  25           1HB      LEU  25  -0.962   0.204   0.768
  189    HB3  LEU  25           2HB      LEU  25  -1.052   1.486  -0.431
  190    HG   LEU  25           HG       LEU  25   1.310   1.172  -1.027
  191   HD11  LEU  25          1HD1      LEU  25   2.196   0.304   1.142
  192   HD12  LEU  25          2HD1      LEU  25   2.583  -0.738  -0.220
  193   HD13  LEU  25          3HD1      LEU  25   1.280  -1.201   0.893
  194   HD21  LEU  25          3HD2      LEU  25  -0.445  -0.090  -2.204
  195   HD22  LEU  25          1HD2      LEU  25  -0.256  -1.421  -1.039
  196   HD23  LEU  25          2HD2      LEU  25   1.077  -0.988  -2.129
  197    H    ILE  26           H        ILE  26  -0.498   4.092  -0.125
  198    HA   ILE  26           HA       ILE  26   2.145   4.752  -1.015
  199    HB   ILE  26           HB       ILE  26  -0.438   6.341  -0.936
  200   HG12  ILE  26          1HG1      ILE  26   1.117   5.100  -3.261
  201   HG13  ILE  26          2HG1      ILE  26  -0.178   4.262  -2.422
  202   HG21  ILE  26          1HG2      ILE  26   2.221   7.122  -2.227
  203   HG22  ILE  26          2HG2      ILE  26   0.673   7.951  -2.502
  204   HG23  ILE  26          3HG2      ILE  26   1.397   7.984  -0.905
  205   HD11  ILE  26          3HD1      ILE  26  -1.773   6.064  -3.063
  206   HD12  ILE  26          1HD1      ILE  26  -0.483   6.820  -4.033
  207   HD13  ILE  26          2HD1      ILE  26  -1.058   5.202  -4.442
  208    H    LYS  27           H        LYS  27   0.247   6.110   1.732
  209    HA   LYS  27           HA       LYS  27   2.309   7.868   2.692
  210    HB2  LYS  27           1HB      LYS  27  -0.018   6.465   4.062
  211    HB3  LYS  27           2HB      LYS  27   1.071   7.569   4.915
  212    HG2  LYS  27           1HG      LYS  27   0.519   9.404   3.412
  213    HG3  LYS  27           2HG      LYS  27  -0.506   8.354   2.425
  214    HD2  LYS  27           1HD      LYS  27  -2.006   7.976   4.367
  215    HD3  LYS  27           2HD      LYS  27  -0.974   9.028   5.364
  216    HE2  LYS  27           1HE      LYS  27  -1.398  10.911   3.780
  217    HE3  LYS  27           2HE      LYS  27  -2.454   9.861   2.825
  218    HZ1  LYS  27           3HZ      LYS  27  -2.923  10.632   5.660
  219    HZ2  LYS  27           1HZ      LYS  27  -3.904   9.662   4.783
  220    HZ3  LYS  27           2HZ      LYS  27  -3.729  11.232   4.375
  221    H    HIS  28           H        HIS  28   1.740   4.402   3.425
  222    HA   HIS  28           HA       HIS  28   3.904   4.082   5.258
  223    HB2  HIS  28           1HB      HIS  28   2.251   2.389   5.108
  224    HB3  HIS  28           2HB      HIS  28   2.448   2.202   3.374
  225    HD1  HIS  28           1HD      HIS  28   4.333   1.337   6.613
  226    HD2  HIS  28           2HD      HIS  28   4.328   0.572   2.476
  227    HE1  HIS  28           1HE      HIS  28   5.996  -0.535   6.259
  228    H    ILE  29           H        ILE  29   3.882   3.664   1.669
  229    HA   ILE  29           HA       ILE  29   6.662   3.010   1.442
  230    HB   ILE  29           HB       ILE  29   4.712   4.238  -0.525
  231   HG12  ILE  29          1HG1      ILE  29   5.816   1.396  -0.503
  232   HG13  ILE  29          2HG1      ILE  29   4.358   1.821   0.374
  233   HG21  ILE  29          1HG2      ILE  29   6.317   3.600  -2.316
  234   HG22  ILE  29          2HG2      ILE  29   7.017   4.801  -1.248
  235   HG23  ILE  29          3HG2      ILE  29   7.483   3.093  -1.084
  236   HD11  ILE  29          3HD1      ILE  29   3.301   2.632  -1.740
  237   HD12  ILE  29          1HD1      ILE  29   4.731   2.068  -2.636
  238   HD13  ILE  29          2HD1      ILE  29   3.725   0.907  -1.764
  239    H    ARG  30           H        ARG  30   5.010   6.195   1.298
  240    HA   ARG  30           HA       ARG  30   7.428   7.739   0.947
  241    HB2  ARG  30           1HB      ARG  30   4.638   8.435   1.943
  242    HB3  ARG  30           2HB      ARG  30   5.913   9.639   1.721
  243    HG2  ARG  30           1HG      ARG  30   6.091   9.141  -0.654
  244    HG3  ARG  30           2HG      ARG  30   4.922   7.820  -0.519
  245    HD2  ARG  30           1HD      ARG  30   3.182   9.420   0.208
  246    HD3  ARG  30           2HD      ARG  30   4.348  10.754   0.059
  247    HE   ARG  30           HE       ARG  30   4.305   9.400  -2.422
  248   HH11  ARG  30          2HH1      ARG  30   2.072  11.355  -0.563
  249   HH12  ARG  30          1HH1      ARG  30   1.208  11.882  -1.981
  250   HH21  ARG  30          2HH2      ARG  30   3.165  10.116  -4.191
  251   HH22  ARG  30          1HH2      ARG  30   1.820  11.197  -3.979
  252    H    ASP  31           H        ASP  31   6.161   6.259   3.815
  253    HA   ASP  31           HA       ASP  31   7.801   7.972   5.591
  254    HB2  ASP  31           1HB      ASP  31   5.477   7.392   6.184
  255    HB3  ASP  31           2HB      ASP  31   5.913   5.682   6.221
  256    H    MET  32           H        MET  32   7.717   4.547   4.519
  257    HA   MET  32           HA       MET  32  10.195   4.007   6.102
  258    HB2  MET  32           1HB      MET  32   8.142   2.079   4.955
  259    HB3  MET  32           2HB      MET  32   9.547   1.666   5.941
  260    HG2  MET  32           1HG      MET  32   8.535   3.298   7.704
  261    HG3  MET  32           2HG      MET  32   7.055   3.168   6.748
  262    HE1  MET  32           3HE      MET  32   9.508   1.507   9.249
  263    HE2  MET  32           1HE      MET  32   8.997  -0.194   9.283
  264    HE3  MET  32           2HE      MET  32   9.835   0.448   7.858
  265    H    HIS  33           H        HIS  33   9.204   4.242   2.768
  266    HA   HIS  33           HA       HIS  33  11.727   2.944   1.846
  267    HB2  HIS  33           1HB      HIS  33   9.029   2.498   0.551
  268    HB3  HIS  33           2HB      HIS  33  10.535   1.649   0.228
  269    HD1  HIS  33           1HD      HIS  33  11.335   0.435   2.946
  270    HD2  HIS  33           2HD      HIS  33   7.368   0.950   1.669
  271    HE1  HIS  33           1HE      HIS  33   9.958  -1.233   4.287
  272    H    ASP  34           H        ASP  34  11.213   5.750   2.121
  273    HA   ASP  34           HA       ASP  34  10.015   6.969  -0.052
  274    HB2  ASP  34           1HB      ASP  34  10.940   9.035   0.723
  275    HB3  ASP  34           2HB      ASP  34  10.365   8.052   2.060
  276    HA   PRO  35           HA       PRO  35  13.005   6.724  -3.390
  277    HB2  PRO  35           1HB      PRO  35  11.588   9.196  -4.375
  278    HB3  PRO  35           2HB      PRO  35  12.024   7.709  -5.276
  279    HG2  PRO  35           1HG      PRO  35   9.479   8.092  -4.442
  280    HG3  PRO  35           2HG      PRO  35  10.247   6.481  -4.240
  281    HD2  PRO  35           1HD      PRO  35   9.930   8.682  -2.172
  282    HD3  PRO  35           2HD      PRO  35   9.590   6.928  -2.041
  283    H    GLN  36           H        GLN  36  14.845   7.785  -4.234
  284    HA   GLN  36           HA       GLN  36  16.067   9.750  -2.480
  285    HB2  GLN  36           1HB      GLN  36  18.068   9.371  -3.752
  286    HB3  GLN  36           2HB      GLN  36  17.301   7.832  -3.374
  287    HG2  GLN  36           1HG      GLN  36  16.383   7.721  -5.697
  288    HG3  GLN  36           2HG      GLN  36  17.156   9.266  -6.071
  289   HE21  GLN  36          1HE2      GLN  36  19.592   9.339  -5.992
  290   HE22  GLN  36          2HE2      GLN  36  20.458   7.841  -6.303
  291    H    ASP  37           H        ASP  37  14.118  10.156  -5.229
  292    HA   ASP  37           HA       ASP  37  14.822  13.017  -5.498
  293    HB2  ASP  37           1HB      ASP  37  16.221  11.878  -7.173
  294    HB3  ASP  37           2HB      ASP  37  14.809  11.065  -7.832
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  -4.139 -19.372 -16.863
    2    H2   GLY   1           2H       GLY   1  -4.553 -20.937 -16.614
    3    H3   GLY   1           3H       GLY   1  -4.426 -19.910 -15.344
    4    HA2  GLY   1           1HA      GLY   1  -6.429 -19.717 -17.497
    5    HA3  GLY   1           2HA      GLY   1  -6.745 -20.324 -15.860
    6    H    SER   2           H        SER   2  -7.858 -17.983 -17.364
    7    HA   SER   2           HA       SER   2  -6.879 -15.551 -16.154
    8    HB2  SER   2           1HB      SER   2  -9.528 -16.119 -17.534
    9    HB3  SER   2           2HB      SER   2  -8.846 -14.520 -17.186
   10    HG   SER   2           HG       SER   2  -8.414 -15.208 -19.342
   11    H    SER   3           H        SER   3  -7.990 -14.142 -14.722
   12    HA   SER   3           HA       SER   3  -8.943 -13.569 -12.751
   13    HB2  SER   3           1HB      SER   3 -10.944 -13.954 -14.245
   14    HB3  SER   3           2HB      SER   3 -11.179 -15.500 -13.411
   15    HG   SER   3           HG       SER   3 -12.372 -13.694 -12.510
   16    H    GLY   4           H        GLY   4 -10.524 -15.017 -10.881
   17    HA2  GLY   4           1HA      GLY   4 -10.414 -16.576  -9.159
   18    HA3  GLY   4           2HA      GLY   4  -9.039 -17.361  -9.935
   19    H    SER   5           H        SER   5  -8.723 -13.939  -9.380
   20    HA   SER   5           HA       SER   5  -6.423 -14.136  -7.758
   21    HB2  SER   5           1HB      SER   5  -8.327 -11.779  -8.021
   22    HB3  SER   5           2HB      SER   5  -6.644 -11.719  -7.463
   23    HG   SER   5           HG       SER   5  -6.838 -11.179  -9.691
   24    H    SER   6           H        SER   6  -5.994 -13.912  -5.593
   25    HA   SER   6           HA       SER   6  -7.934 -15.004  -3.833
   26    HB2  SER   6           1HB      SER   6  -5.235 -13.795  -3.144
   27    HB3  SER   6           2HB      SER   6  -6.163 -14.953  -2.171
   28    HG   SER   6           HG       SER   6  -4.534 -15.988  -3.416
   29    H    GLY   7           H        GLY   7  -7.318 -11.649  -4.458
   30    HA2  GLY   7           1HA      GLY   7  -9.430 -10.694  -2.865
   31    HA3  GLY   7           2HA      GLY   7  -7.963 -10.507  -1.901
   32    H    ILE   8           H        ILE   8  -9.240  -8.282  -2.389
   33    HA   ILE   8           HA       ILE   8  -8.074  -6.942  -4.782
   34    HB   ILE   8           HB       ILE   8  -9.870  -5.322  -4.580
   35   HG12  ILE   8          1HG1      ILE   8 -10.970  -7.021  -2.291
   36   HG13  ILE   8          2HG1      ILE   8 -10.180  -5.454  -2.093
   37   HG21  ILE   8          1HG2      ILE   8 -11.637  -6.741  -5.405
   38   HG22  ILE   8          2HG2      ILE   8 -10.095  -7.419  -5.927
   39   HG23  ILE   8          3HG2      ILE   8 -10.973  -8.160  -4.572
   40   HD11  ILE   8          3HD1      ILE   8 -12.797  -5.969  -3.559
   41   HD12  ILE   8          1HD1      ILE   8 -12.565  -5.134  -2.016
   42   HD13  ILE   8          2HD1      ILE   8 -11.951  -4.402  -3.511
   43    H    LYS   9           H        LYS   9  -7.243  -7.134  -1.608
   44    HA   LYS   9           HA       LYS   9  -6.774  -4.381  -0.937
   45    HB2  LYS   9           1HB      LYS   9  -5.762  -5.116   1.002
   46    HB3  LYS   9           2HB      LYS   9  -6.960  -6.350   0.674
   47    HG2  LYS   9           1HG      LYS   9  -3.947  -6.543   0.220
   48    HG3  LYS   9           2HG      LYS   9  -4.868  -7.293   1.513
   49    HD2  LYS   9           1HD      LYS   9  -6.042  -8.735  -0.132
   50    HD3  LYS   9           2HD      LYS   9  -5.097  -7.991  -1.447
   51    HE2  LYS   9           1HE      LYS   9  -2.993  -8.711  -0.337
   52    HE3  LYS   9           2HE      LYS   9  -3.939  -9.503   0.931
   53    HZ1  LYS   9           3HZ      LYS   9  -4.028 -10.216  -1.959
   54    HZ2  LYS   9           1HZ      LYS   9  -4.885 -10.964  -0.777
   55    HZ3  LYS   9           2HZ      LYS   9  -3.258 -11.073  -0.806
   56    H    GLN  10           H        GLN  10  -4.722  -3.358  -0.517
   57    HA   GLN  10           HA       GLN  10  -2.724  -3.737  -2.692
   58    HB2  GLN  10           1HB      GLN  10  -2.970  -1.540  -0.591
   59    HB3  GLN  10           2HB      GLN  10  -1.750  -1.656  -1.837
   60    HG2  GLN  10           1HG      GLN  10  -3.328  -0.043  -2.544
   61    HG3  GLN  10           2HG      GLN  10  -3.455  -1.441  -3.604
   62   HE21  GLN  10          1HE2      GLN  10  -4.999  -0.945  -0.326
   63   HE22  GLN  10          2HE2      GLN  10  -6.627  -0.975  -0.987
   64    H    HIS  11           H        HIS  11  -0.438  -3.862  -2.121
   65    HA   HIS  11           HA       HIS  11   0.185  -4.441   0.689
   66    HB2  HIS  11           1HB      HIS  11   1.482  -6.401   0.259
   67    HB3  HIS  11           2HB      HIS  11  -0.151  -6.669  -0.328
   68    HD1  HIS  11           1HD      HIS  11   3.422  -6.048  -1.686
   69    HD2  HIS  11           2HD      HIS  11  -0.442  -7.172  -2.942
   70    HE1  HIS  11           1HE      HIS  11   3.659  -6.881  -4.086
   71    H    CYS  12           H        CYS  12   2.316  -4.072   1.304
   72    HA   CYS  12           HA       CYS  12   3.800  -2.013  -0.019
   73    HB2  CYS  12           1HB      CYS  12   3.827  -2.457   2.385
   74    HB3  CYS  12           2HB      CYS  12   4.589  -4.034   2.097
   75    H    ARG  13           H        ARG  13   5.596  -2.067  -1.252
   76    HA   ARG  13           HA       ARG  13   6.192  -4.551  -2.792
   77    HB2  ARG  13           1HB      ARG  13   7.047  -1.667  -3.261
   78    HB3  ARG  13           2HB      ARG  13   7.413  -3.038  -4.314
   79    HG2  ARG  13           1HG      ARG  13   4.938  -3.429  -4.591
   80    HG3  ARG  13           2HG      ARG  13   4.634  -1.925  -3.711
   81    HD2  ARG  13           1HD      ARG  13   6.248  -2.186  -6.283
   82    HD3  ARG  13           2HD      ARG  13   4.557  -1.665  -6.186
   83    HE   ARG  13           HE       ARG  13   5.901   0.077  -4.491
   84   HH11  ARG  13          2HH1      ARG  13   6.153  -0.659  -7.907
   85   HH12  ARG  13          1HH1      ARG  13   6.745   0.932  -8.302
   86   HH21  ARG  13          2HH2      ARG  13   6.659   2.099  -5.071
   87   HH22  ARG  13          1HH2      ARG  13   7.017   2.440  -6.735
   88    H    PHE  14           H        PHE  14   7.394  -3.092  -0.051
   89    HA   PHE  14           HA       PHE  14  10.204  -4.040  -0.531
   90    HB2  PHE  14           1HB      PHE  14   9.232  -1.732   1.165
   91    HB3  PHE  14           2HB      PHE  14  10.904  -2.174   0.866
   92    HD1  PHE  14           2HD      PHE  14  11.938  -1.789  -1.375
   93    HD2  PHE  14           1HD      PHE  14   7.919  -0.500  -0.485
   94    HE1  PHE  14           2HE      PHE  14  11.967  -0.310  -3.372
   95    HE2  PHE  14           1HE      PHE  14   7.951   0.968  -2.489
   96    HZ   PHE  14           HZ       PHE  14   9.974   1.069  -3.932
   97    H    CYS  15           H        CYS  15   7.561  -3.958   1.844
   98    HA   CYS  15           HA       CYS  15   8.980  -6.066   3.373
   99    HB2  CYS  15           1HB      CYS  15   8.553  -5.100   5.470
  100    HB3  CYS  15           2HB      CYS  15   9.360  -3.905   4.478
  101    H    LYS  16           H        LYS  16   6.497  -5.660   1.506
  102    HA   LYS  16           HA       LYS  16   4.593  -6.756   1.017
  103    HB2  LYS  16           1HB      LYS  16   5.966  -8.951   2.590
  104    HB3  LYS  16           2HB      LYS  16   4.654  -9.174   1.426
  105    HG2  LYS  16           1HG      LYS  16   6.069  -8.202  -0.376
  106    HG3  LYS  16           2HG      LYS  16   7.394  -8.001   0.776
  107    HD2  LYS  16           1HD      LYS  16   7.818  -9.971  -0.508
  108    HD3  LYS  16           2HD      LYS  16   7.445 -10.459   1.152
  109    HE2  LYS  16           1HE      LYS  16   5.126 -11.035   0.461
  110    HE3  LYS  16           2HE      LYS  16   5.474 -10.489  -1.186
  111    HZ1  LYS  16           3HZ      LYS  16   5.698 -12.900  -0.982
  112    HZ2  LYS  16           1HZ      LYS  16   6.833 -12.756   0.181
  113    HZ3  LYS  16           2HZ      LYS  16   7.150 -12.255  -1.342
  114    H    LYS  17           H        LYS  17   4.438  -5.366   3.785
  115    HA   LYS  17           HA       LYS  17   2.295  -6.711   5.174
  116    HB2  LYS  17           1HB      LYS  17   3.103  -3.775   5.122
  117    HB3  LYS  17           2HB      LYS  17   1.910  -4.487   6.227
  118    HG2  LYS  17           1HG      LYS  17   3.600  -5.921   7.243
  119    HG3  LYS  17           2HG      LYS  17   4.800  -5.433   6.037
  120    HD2  LYS  17           1HD      LYS  17   4.650  -3.074   6.874
  121    HD3  LYS  17           2HD      LYS  17   3.534  -3.618   8.131
  122    HE2  LYS  17           1HE      LYS  17   5.807  -3.392   9.011
  123    HE3  LYS  17           2HE      LYS  17   5.266  -5.069   9.099
  124    HZ1  LYS  17           3HZ      LYS  17   6.955  -4.043   6.871
  125    HZ2  LYS  17           1HZ      LYS  17   6.619  -5.596   7.204
  126    HZ3  LYS  17           2HZ      LYS  17   7.582  -4.752   8.222
  127    H    LYS  18           H        LYS  18   0.120  -6.312   5.220
  128    HA   LYS  18           HA       LYS  18  -1.132  -5.675   2.623
  129    HB2  LYS  18           1HB      LYS  18  -2.185  -6.779   5.251
  130    HB3  LYS  18           2HB      LYS  18  -3.176  -6.562   3.796
  131    HG2  LYS  18           1HG      LYS  18  -1.752  -8.153   2.552
  132    HG3  LYS  18           2HG      LYS  18  -0.712  -8.360   3.975
  133    HD2  LYS  18           1HD      LYS  18  -2.682  -9.199   5.267
  134    HD3  LYS  18           2HD      LYS  18  -3.671  -9.087   3.796
  135    HE2  LYS  18           1HE      LYS  18  -2.146 -10.682   2.652
  136    HE3  LYS  18           2HE      LYS  18  -1.126 -10.753   4.091
  137    HZ1  LYS  18           3HZ      LYS  18  -3.004 -11.708   5.311
  138    HZ2  LYS  18           1HZ      LYS  18  -2.666 -12.630   4.010
  139    HZ3  LYS  18           2HZ      LYS  18  -3.964 -11.639   3.991
  140    H    TYR  19           H        TYR  19  -2.485  -4.046   2.175
  141    HA   TYR  19           HA       TYR  19  -3.441  -2.190   4.302
  142    HB2  TYR  19           1HB      TYR  19  -1.785  -1.487   1.868
  143    HB3  TYR  19           2HB      TYR  19  -2.898  -0.324   2.580
  144    HD1  TYR  19           1HD      TYR  19  -2.633   0.457   4.920
  145    HD2  TYR  19           2HD      TYR  19   0.350  -1.990   2.982
  146    HE1  TYR  19           1HE      TYR  19  -1.007   1.026   6.714
  147    HE2  TYR  19           2HE      TYR  19   1.982  -1.407   4.782
  148    HH   TYR  19           HH       TYR  19   1.073   0.668   7.565
  149    H    SER  20           H        SER  20  -5.592  -2.219   4.178
  150    HA   SER  20           HA       SER  20  -7.072  -3.049   1.874
  151    HB2  SER  20           1HB      SER  20  -8.047  -1.527   4.318
  152    HB3  SER  20           2HB      SER  20  -9.041  -2.469   3.189
  153    HG   SER  20           HG       SER  20  -8.504  -3.665   5.081
  154    H    ASP  21           H        ASP  21  -5.778   0.050   2.636
  155    HA   ASP  21           HA       ASP  21  -7.532   1.425   0.639
  156    HB2  ASP  21           1HB      ASP  21  -8.131   2.056   2.911
  157    HB3  ASP  21           2HB      ASP  21  -6.445   2.408   3.297
  158    H    VAL  22           H        VAL  22  -6.538   2.504  -0.956
  159    HA   VAL  22           HA       VAL  22  -3.816   1.938  -1.514
  160    HB   VAL  22           HB       VAL  22  -5.571   2.290  -3.194
  161   HG11  VAL  22          1HG1      VAL  22  -6.240   4.449  -4.007
  162   HG12  VAL  22          2HG1      VAL  22  -6.636   4.370  -2.286
  163   HG13  VAL  22          3HG1      VAL  22  -5.218   5.291  -2.836
  164   HG21  VAL  22          3HG2      VAL  22  -3.179   2.313  -3.816
  165   HG22  VAL  22          1HG2      VAL  22  -4.170   3.320  -4.885
  166   HG23  VAL  22          2HG2      VAL  22  -3.158   4.081  -3.643
  167    H    LYS  23           H        LYS  23  -5.274   4.963  -0.310
  168    HA   LYS  23           HA       LYS  23  -2.791   6.386  -0.598
  169    HB2  LYS  23           1HB      LYS  23  -3.900   8.199   0.714
  170    HB3  LYS  23           2HB      LYS  23  -4.762   7.657  -0.728
  171    HG2  LYS  23           1HG      LYS  23  -6.281   6.295   0.661
  172    HG3  LYS  23           2HG      LYS  23  -5.431   6.847   2.127
  173    HD2  LYS  23           1HD      LYS  23  -6.155   9.136   1.722
  174    HD3  LYS  23           2HD      LYS  23  -6.772   8.699   0.119
  175    HE2  LYS  23           1HE      LYS  23  -8.594   8.969   1.769
  176    HE3  LYS  23           2HE      LYS  23  -8.542   7.359   1.042
  177    HZ1  LYS  23           3HZ      LYS  23  -8.883   7.297   3.462
  178    HZ2  LYS  23           1HZ      LYS  23  -7.420   7.977   3.719
  179    HZ3  LYS  23           2HZ      LYS  23  -7.540   6.487   3.020
  180    H    ASN  24           H        ASN  24  -4.180   4.555   2.076
  181    HA   ASN  24           HA       ASN  24  -2.098   5.240   3.987
  182    HB2  ASN  24           1HB      ASN  24  -4.152   3.010   3.835
  183    HB3  ASN  24           2HB      ASN  24  -2.945   3.100   5.114
  184   HD21  ASN  24          1HD2      ASN  24  -5.572   3.158   5.857
  185   HD22  ASN  24          2HD2      ASN  24  -5.953   4.773   6.430
  186    H    LEU  25           H        LEU  25  -2.359   2.631   1.510
  187    HA   LEU  25           HA       LEU  25   0.179   1.419   2.114
  188    HB2  LEU  25           1HB      LEU  25  -1.305   0.325   0.582
  189    HB3  LEU  25           2HB      LEU  25  -1.405   1.701  -0.474
  190    HG   LEU  25           HG       LEU  25  -0.025  -0.190  -1.334
  191   HD11  LEU  25          1HD1      LEU  25   1.499   0.935  -2.502
  192   HD12  LEU  25          2HD1      LEU  25   1.638   2.229  -1.307
  193   HD13  LEU  25          3HD1      LEU  25   0.143   2.022  -2.252
  194   HD21  LEU  25          3HD2      LEU  25   0.985  -0.868   0.794
  195   HD22  LEU  25          1HD2      LEU  25   2.064   0.537   0.688
  196   HD23  LEU  25          2HD2      LEU  25   2.104  -0.719  -0.562
  197    H    ILE  26           H        ILE  26  -0.637   4.090  -0.184
  198    HA   ILE  26           HA       ILE  26   2.040   4.421  -0.928
  199    HB   ILE  26           HB       ILE  26  -0.309   6.333  -1.147
  200   HG12  ILE  26          1HG1      ILE  26   1.201   4.559  -3.137
  201   HG13  ILE  26          2HG1      ILE  26  -0.366   4.198  -2.425
  202   HG21  ILE  26          1HG2      ILE  26   1.725   7.734  -1.140
  203   HG22  ILE  26          2HG2      ILE  26   2.479   6.671  -2.353
  204   HG23  ILE  26          3HG2      ILE  26   1.055   7.661  -2.754
  205   HD11  ILE  26          3HD1      ILE  26   0.230   6.393  -4.416
  206   HD12  ILE  26          1HD1      ILE  26  -0.747   4.939  -4.637
  207   HD13  ILE  26          2HD1      ILE  26  -1.321   6.220  -3.546
  208    H    LYS  27           H        LYS  27   0.235   6.101   1.663
  209    HA   LYS  27           HA       LYS  27   2.280   7.810   2.689
  210    HB2  LYS  27           1HB      LYS  27  -0.028   6.308   3.972
  211    HB3  LYS  27           2HB      LYS  27   1.045   7.339   4.917
  212    HG2  LYS  27           1HG      LYS  27   0.379   9.313   3.823
  213    HG3  LYS  27           2HG      LYS  27  -0.315   8.455   2.449
  214    HD2  LYS  27           1HD      LYS  27  -2.065   9.398   3.895
  215    HD3  LYS  27           2HD      LYS  27  -2.170   7.643   3.788
  216    HE2  LYS  27           1HE      LYS  27  -0.970   7.477   6.001
  217    HE3  LYS  27           2HE      LYS  27  -1.031   9.243   6.117
  218    HZ1  LYS  27           3HZ      LYS  27  -3.400   7.443   5.923
  219    HZ2  LYS  27           1HZ      LYS  27  -3.471   9.078   6.039
  220    HZ3  LYS  27           2HZ      LYS  27  -2.894   8.196   7.284
  221    H    HIS  28           H        HIS  28   1.674   4.331   3.464
  222    HA   HIS  28           HA       HIS  28   3.858   4.051   5.286
  223    HB2  HIS  28           1HB      HIS  28   2.172   2.376   5.232
  224    HB3  HIS  28           2HB      HIS  28   2.373   2.080   3.515
  225    HD1  HIS  28           1HD      HIS  28   4.096   1.265   6.833
  226    HD2  HIS  28           2HD      HIS  28   4.284   0.425   2.721
  227    HE1  HIS  28           1HE      HIS  28   5.759  -0.635   6.598
  228    H    ILE  29           H        ILE  29   3.783   3.537   1.710
  229    HA   ILE  29           HA       ILE  29   6.553   2.799   1.525
  230    HB   ILE  29           HB       ILE  29   4.682   3.962  -0.553
  231   HG12  ILE  29          1HG1      ILE  29   5.591   1.085  -0.059
  232   HG13  ILE  29          2HG1      ILE  29   4.030   1.748   0.395
  233   HG21  ILE  29          1HG2      ILE  29   7.007   4.395  -1.254
  234   HG22  ILE  29          2HG2      ILE  29   7.434   2.702  -0.930
  235   HG23  ILE  29          3HG2      ILE  29   6.316   3.127  -2.245
  236   HD11  ILE  29          3HD1      ILE  29   5.049   1.174  -2.391
  237   HD12  ILE  29          1HD1      ILE  29   3.559   0.617  -1.598
  238   HD13  ILE  29          2HD1      ILE  29   3.704   2.305  -2.118
  239    H    ARG  30           H        ARG  30   4.995   6.014   1.184
  240    HA   ARG  30           HA       ARG  30   7.442   7.455   0.689
  241    HB2  ARG  30           1HB      ARG  30   4.707   8.301   1.723
  242    HB3  ARG  30           2HB      ARG  30   6.022   9.446   1.423
  243    HG2  ARG  30           1HG      ARG  30   6.141   8.801  -0.934
  244    HG3  ARG  30           2HG      ARG  30   4.882   7.577  -0.704
  245    HD2  ARG  30           1HD      ARG  30   3.280   9.338  -0.036
  246    HD3  ARG  30           2HD      ARG  30   4.536  10.573  -0.268
  247    HE   ARG  30           HE       ARG  30   4.371   9.133  -2.682
  248   HH11  ARG  30          2HH1      ARG  30   2.251  11.259  -0.877
  249   HH12  ARG  30          1HH1      ARG  30   1.392  11.764  -2.306
  250   HH21  ARG  30          2HH2      ARG  30   3.239   9.829  -4.465
  251   HH22  ARG  30          1HH2      ARG  30   1.945  10.975  -4.282
  252    H    ASP  31           H        ASP  31   5.920   6.515   3.749
  253    HA   ASP  31           HA       ASP  31   7.751   8.162   5.321
  254    HB2  ASP  31           1HB      ASP  31   5.385   7.683   5.936
  255    HB3  ASP  31           2HB      ASP  31   5.821   5.993   6.207
  256    H    MET  32           H        MET  32   7.633   4.720   4.404
  257    HA   MET  32           HA       MET  32   9.957   4.136   6.189
  258    HB2  MET  32           1HB      MET  32   7.904   2.314   4.884
  259    HB3  MET  32           2HB      MET  32   9.211   1.779   5.922
  260    HG2  MET  32           1HG      MET  32   6.957   3.643   6.753
  261    HG3  MET  32           2HG      MET  32   7.051   1.926   7.106
  262    HE1  MET  32           3HE      MET  32   8.658   0.797   8.820
  263    HE2  MET  32           1HE      MET  32  10.112   1.435   8.015
  264    HE3  MET  32           2HE      MET  32   9.897   1.655   9.760
  265    H    HIS  33           H        HIS  33   9.200   4.141   2.725
  266    HA   HIS  33           HA       HIS  33  11.775   2.705   2.187
  267    HB2  HIS  33           1HB      HIS  33   9.168   2.294   0.707
  268    HB3  HIS  33           2HB      HIS  33  10.656   1.366   0.541
  269    HD1  HIS  33           1HD      HIS  33  11.305   0.299   3.312
  270    HD2  HIS  33           2HD      HIS  33   7.392   0.906   1.909
  271    HE1  HIS  33           1HE      HIS  33   9.828  -1.230   4.710
  272    H    ASP  34           H        ASP  34  10.558   5.676   1.739
  273    HA   ASP  34           HA       ASP  34  10.595   6.239  -0.994
  274    HB2  ASP  34           1HB      ASP  34   9.766   7.714   0.736
  275    HB3  ASP  34           2HB      ASP  34  11.395   7.971   1.363
  276    HA   PRO  35           HA       PRO  35  14.962   5.354  -1.584
  277    HB2  PRO  35           1HB      PRO  35  15.068   5.004  -4.262
  278    HB3  PRO  35           2HB      PRO  35  14.105   3.939  -3.200
  279    HG2  PRO  35           1HG      PRO  35  13.111   6.352  -4.763
  280    HG3  PRO  35           2HG      PRO  35  12.451   4.683  -4.774
  281    HD2  PRO  35           1HD      PRO  35  11.428   6.634  -3.162
  282    HD3  PRO  35           2HD      PRO  35  11.520   4.932  -2.638
  283    H    GLN  36           H        GLN  36  15.071   7.752  -0.721
  284    HA   GLN  36           HA       GLN  36  17.132   9.008  -2.310
  285    HB2  GLN  36           1HB      GLN  36  16.175  11.291  -2.188
  286    HB3  GLN  36           2HB      GLN  36  15.306  10.220  -3.287
  287    HG2  GLN  36           1HG      GLN  36  13.543   9.872  -1.592
  288    HG3  GLN  36           2HG      GLN  36  14.392  10.930  -0.463
  289   HE21  GLN  36          1HE2      GLN  36  11.784  11.453  -1.087
  290   HE22  GLN  36          2HE2      GLN  36  11.703  12.924  -2.080
  291    H    ASP  37           H        ASP  37  18.491  10.238  -1.121
  292    HA   ASP  37           HA       ASP  37  18.122  10.659   1.793
  293    HB2  ASP  37           1HB      ASP  37  19.120   8.421   1.591
  294    HB3  ASP  37           2HB      ASP  37  20.410   9.059   0.580