*HEADER    TRANSCRIPTION                           26-JAN-15   2RUU              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF3) OF IMMUNE-RELATED 
*TITLE    2 ZINC-FINGER PROTEIN ZFAT                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN ZFAT;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 297-325;                                      
*COMPND   5 SYNONYM: ZINC FINGER GENE IN AITD SUSCEPTIBILITY REGION, ZINC FINGER 
*COMPND   6 PROTEIN 406;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZFAT, KIAA1485, ZFAT1, ZNF406;                                 
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P060718-01                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RUU    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 CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=78,84,82,83, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,88,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=100,94,98,99, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=97,91,95,96, &end
#
#  chirality for residue 9 atoms:  CG N HD2 HD3
 &rst iat=94,90,92,93, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=90,102,101,97, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=106,111,109,110, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=104,123,107,108, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=129,135,133,134, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=135,141,139,140, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=132,138,136,137, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=125,145,128,129, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=167,161,165,166, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=164,158,162,163, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=161,157,159,160, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=157,169,168,164, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=173,178,176,177, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=171,186,174,175, &end
#
#  chirality for residue 16 atoms:  CA OG HB2 HB3
 &rst iat=200,205,203,204, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=198,207,201,202, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=211,216,214,215, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=209,228,212,213, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=230,238,233,234, &end
#
#  chirality for residue 19 atoms:  CA OG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=240,249,243,244, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=251,259,254,255, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=263,267,271,266, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=265,274,272,273, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=261,278,264,265, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=282,287,285,286, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=284,290,288,289, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=290,296,294,295, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=287,293,291,292, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=280,300,283,284, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=302,310,305,306, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=314,319,317,318, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=312,324,315,316, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=330,335,339,334, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=326,343,329,330, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=347,352,350,351, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=345,357,348,349, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=361,365,369,364, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=359,373,362,363, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=377,382,380,381, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=375,390,378,379, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=396,401,405,400, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=392,409,395,396, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=413,418,416,417, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 30 atoms:  CG NE HD2 HD3
 &rst iat=418,424,422,423, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=411,433,414,415, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 31 atoms:  CD NZ HE2 HE3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 31 atoms:  CG CE HD2 HD3
 &rst iat=442,448,446,447, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=435,455,438,439, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=459,464,462,463, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=457,472,460,461, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=476,480,484,479, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=474,486,477,478, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=488,493,491,492, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=497,502,500,501, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=499,505,503,504, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=495,508,498,499, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=514,520,518,519, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=520,526,524,525, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=517,523,521,522, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=510,530,513,514, &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=100,90,88,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=106,104,102,100, &end
#
#  trans-omega constraint for residue 11
 &rst iat=127,125,123,106, &end
#
#  trans-omega constraint for residue 12
 &rst iat=149,147,145,127, &end
#
#  trans-omega constraint for residue 13
 &rst iat=167,157,155,149, &end
#
#  trans-omega constraint for residue 14
 &rst iat=173,171,169,167, &end
#
#  trans-omega constraint for residue 15
 &rst iat=190,188,186,173, &end
#
#  trans-omega constraint for residue 16
 &rst iat=200,198,196,190, &end
#
#  trans-omega constraint for residue 17
 &rst iat=211,209,207,200, &end
#
#  trans-omega constraint for residue 18
 &rst iat=232,230,228,211, &end
#
#  trans-omega constraint for residue 19
 &rst iat=242,240,238,232, &end
#
#  trans-omega constraint for residue 20
 &rst iat=253,251,249,242, &end
#
#  trans-omega constraint for residue 21
 &rst iat=263,261,259,253, &end
#
#  trans-omega constraint for residue 22
 &rst iat=282,280,278,263, &end
#
#  trans-omega constraint for residue 23
 &rst iat=304,302,300,282, &end
#
#  trans-omega constraint for residue 24
 &rst iat=314,312,310,304, &end
#
#  trans-omega constraint for residue 25
 &rst iat=328,326,324,314, &end
#
#  trans-omega constraint for residue 26
 &rst iat=347,345,343,328, &end
#
#  trans-omega constraint for residue 27
 &rst iat=361,359,357,347, &end
#
#  trans-omega constraint for residue 28
 &rst iat=377,375,373,361, &end
#
#  trans-omega constraint for residue 29
 &rst iat=394,392,390,377, &end
#
#  trans-omega constraint for residue 30
 &rst iat=413,411,409,394, &end
#
#  trans-omega constraint for residue 31
 &rst iat=437,435,433,413, &end
#
#  trans-omega constraint for residue 32
 &rst iat=459,457,455,437, &end
#
#  trans-omega constraint for residue 33
 &rst iat=476,474,472,459, &end
#
#  trans-omega constraint for residue 34
 &rst iat=490,488,486,476, &end
#
#  trans-omega constraint for residue 35
 &rst iat=497,495,493,490, &end
#
#  trans-omega constraint for residue 36
 &rst iat=512,510,508,497, &end
#
# 8 LYS HA 10 TYR HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 105, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 8 LYS HA 18 ALA QB 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS HA 20 ALA HA 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 254, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 8 LYS HA 20 ALA QB 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS HA 8 LYS HD2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  79, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 8 LYS HA 8 LYS HD3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  80, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 8 LYS HA 8 LYS HG2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 8 LYS HA 8 LYS HG3 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 8 LYS HA 8 LYS QG 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=  76,  77,
 &end
#
# 8 LYS HA 9 PRO HB3 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  99, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 8 LYS HA 9 PRO HD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  92, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 8 LYS HA 9 PRO HD3 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  93, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 8 LYS HA 9 PRO HG2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  95, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 8 LYS HB2 18 ALA QB 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS HB2 19 SER HA 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 243, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 8 LYS HB2 19 SER HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  73, 241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 8 LYS HB2 8 LYS QE 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=  82,  83,
 &end
#
# 8 LYS HB3 18 ALA QB 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS HB3 19 SER HA 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 243, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 8 LYS HB3 19 SER HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 8 LYS HB3 8 LYS QE 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=  82,  83,
 &end
#
# 8 LYS HD2 19 SER HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 243, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 8 LYS HD3 19 SER HA 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 243, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 8 LYS HG2 20 ALA QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS HG2 8 LYS QE 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  82,  83,
 &end
#
# 8 LYS HG2 9 PRO HD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  92, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 8 LYS HG3 20 ALA QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS HG3 8 LYS QE 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  82,  83,
 &end
#
# 8 LYS HG3 9 PRO HD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  92, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 8 LYS QB 10 TYR HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 10 TYR QB 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=  73,  74,
 igr2= 109, 110,
 &end
#
# 8 LYS QB 18 ALA QB 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=  73,  74,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS QB 19 SER HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 20 ALA QB 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=  73,  74,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS QB 8 LYS QD 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=  73,  74,
 igr2=  79,  80,
 &end
#
# 8 LYS QB 8 LYS QE 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=  73,  74,
 igr2=  82,  83,
 &end
#
# 8 LYS QB 9 PRO HD2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  73,  74,
 &end
#
# 8 LYS QB 9 PRO HD3 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=  73,  74,
 &end
#
# 8 LYS QD 19 SER HA 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=  79,  80,
 &end
#
# 8 LYS QD 19 SER QB 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=  79,  80,
 igr2= 245, 246,
 &end
#
# 8 LYS QE 19 SER HA 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=  82,  83,
 &end
#
# 8 LYS QE 20 ALA QB 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=  82,  83,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS QG 18 ALA QB 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=  76,  77,
 igr2= 235, 236, 237,
 &end
#
# 8 LYS QG 19 SER HA 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=  76,  77,
 &end
#
# 8 LYS QG 20 ALA QB 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  76,  77,
 igr2= 256, 257, 258,
 &end
#
# 8 LYS QG 9 PRO HD2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  76,  77,
 &end
#
# 9 PRO HA 10 TYR HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 107, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 9 PRO HA 11 LYS QD 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 136, 137,
 &end
#
# 9 PRO HA 11 LYS QE 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 139, 140,
 &end
#
# 9 PRO HB2 10 TYR HA 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 107, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 9 PRO HB2 10 TYR HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 105, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 9 PRO HB2 10 TYR QB 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 109, 110,
 &end
#
# 9 PRO HB2 10 TYR QD 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 113, 122,
 &end
#
# 9 PRO HB2 10 TYR QE 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 115, 120,
 &end
#
# 9 PRO HB3 10 TYR HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 9 PRO HB3 10 TYR HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  99, 105, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 9 PRO HD2 10 TYR HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 105, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 9 PRO HD2 10 TYR QB 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 109, 110,
 &end
#
# 9 PRO HD2 10 TYR QD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 113, 122,
 &end
#
# 9 PRO HD2 18 ALA QB 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 235, 236, 237,
 &end
#
# 9 PRO HD2 20 ALA HA 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 254, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 9 PRO HD2 20 ALA QB 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 256, 257, 258,
 &end
#
# 9 PRO HD3 10 TYR HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 105, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 9 PRO HD3 10 TYR QD 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 113, 122,
 &end
#
# 9 PRO HD3 20 ALA HA 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 254, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 9 PRO HD3 20 ALA QB 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 256, 257, 258,
 &end
#
# 9 PRO HG2 10 TYR HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 105, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 9 PRO HG2 10 TYR QB 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 109, 110,
 &end
#
# 9 PRO HG2 10 TYR QD 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 113, 122,
 &end
#
# 9 PRO HG2 10 TYR QE 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 115, 120,
 &end
#
# 9 PRO HG2 20 ALA HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 254, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 9 PRO HG3 10 TYR HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 105, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 9 PRO HG3 10 TYR QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
# 9 PRO HG3 10 TYR QD 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 113, 122,
 &end
#
# 9 PRO HG3 10 TYR QE 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 115, 120,
 &end
#
# 9 PRO HG3 20 ALA HA 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 254, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 10 TYR HA 10 TYR QD 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 113, 122,
 &end
#
# 10 TYR HA 11 LYS HB2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 130, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 10 TYR HA 11 LYS HN 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
# 10 TYR HA 25 LEU QD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 340, 341, 342,
 &end
#
# 10 TYR HN 10 TYR QB 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 109, 110,
 &end
#
# 10 TYR HN 10 TYR QD 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 113, 122,
 &end
#
# 10 TYR HN 10 TYR QE 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 115, 120,
 &end
#
# 10 TYR HN 11 LYS HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 126, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 10 TYR HN 18 ALA QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 235, 236, 237,
 &end
#
# 10 TYR HN 19 SER HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 241, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 10 TYR HN 20 ALA QB 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR HN 25 LEU QD2 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 340, 341, 342,
 &end
#
# 10 TYR QB 11 LYS HN 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 19 SER HN 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 19 SER QB 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 109, 110,
 igr2= 245, 246,
 &end
#
# 10 TYR QB 21 ILE HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 22 LYS QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 109, 110,
 igr2= 285, 286,
 &end
#
# 10 TYR QB 25 LEU HB2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HB3 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU HG 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 109, 110,
 &end
#
# 10 TYR QB 25 LEU QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 109, 110,
 igr2= 336, 337, 338,
 &end
#
# 10 TYR QB 25 LEU QD2 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 109, 110,
 igr2= 340, 341, 342,
 &end
#
# 10 TYR QD 11 LYS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 19 SER QB 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 113, 122,
 igr2= 245, 246,
 &end
#
# 10 TYR QD 20 ALA HA 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 20 ALA QB 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 113, 122,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR QD 21 ILE HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 21 ILE HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HA 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HB2 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HB3 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HG2 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS HG3 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 22 LYS QB 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 113, 122,
 igr2= 285, 286,
 &end
#
# 10 TYR QD 22 LYS QE 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 113, 122,
 igr2= 294, 295,
 &end
#
# 10 TYR QD 22 LYS QG 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 113, 122,
 igr2= 288, 289,
 &end
#
# 10 TYR QD 25 LEU HB2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 113, 122,
 &end
#
# 10 TYR QD 25 LEU QD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 113, 122,
 igr2= 340, 341, 342,
 &end
#
# 10 TYR QE 20 ALA HA 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 20 ALA QB 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 115, 120,
 igr2= 256, 257, 258,
 &end
#
# 10 TYR QE 21 ILE HA 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HA 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HB2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HD2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HD3 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HG2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS HG3 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 115, 120,
 &end
#
# 10 TYR QE 22 LYS QB 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 115, 120,
 igr2= 285, 286,
 &end
#
# 10 TYR QE 22 LYS QD 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 115, 120,
 igr2= 291, 292,
 &end
#
# 10 TYR QE 22 LYS QE 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 115, 120,
 igr2= 294, 295,
 &end
#
# 10 TYR QE 25 LEU QD2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 115, 120,
 igr2= 340, 341, 342,
 &end
#
# 11 LYS HA 11 LYS HD2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 11 LYS HA 11 LYS HD3 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 137, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 11 LYS HA 12 CYM  HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 148, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 11 LYS HA 17 TYR QD 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 218, 227,
 &end
#
# 11 LYS HA 17 TYR QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 220, 225,
 &end
#
# 11 LYS HA 18 ALA QB 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HA 19 SER HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 241, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 11 LYS HB2 11 LYS QE 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 139, 140,
 &end
#
# 11 LYS HB2 12 CYM  HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 11 LYS HB2 18 ALA QB 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HB2 25 LEU QD2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 340, 341, 342,
 &end
#
# 11 LYS HB3 11 LYS QE 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 139, 140,
 &end
#
# 11 LYS HB3 12 CYM  HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 11 LYS HB3 18 ALA HA 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 233, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 11 LYS HB3 18 ALA QB 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HB3 25 LEU QD2 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 340, 341, 342,
 &end
#
# 11 LYS HD2 18 ALA QB 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HD3 18 ALA QB 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HG2 11 LYS QE 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 139, 140,
 &end
#
# 11 LYS HG2 12 CYM  HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 148, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 11 LYS HG3 11 LYS QE 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 139, 140,
 &end
#
# 11 LYS HG3 12 CYM  HN 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 148, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 11 LYS HN 11 LYS HB2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 11 LYS HN 11 LYS HB3 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 11 LYS HN 11 LYS QG 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 133, 134,
 &end
#
# 11 LYS HN 12 CYM  HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 148, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 11 LYS HN 18 ALA QB 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS HN 25 LEU QD2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 340, 341, 342,
 &end
#
# 11 LYS QD 12 CYM  HN 5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 136, 137,
 &end
#
# 11 LYS QD 18 ALA QB 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 136, 137,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS QE 18 ALA QB 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 139, 140,
 igr2= 235, 236, 237,
 &end
#
# 11 LYS QG 12 CYM  HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 133, 134,
 &end
#
# 11 LYS QG 18 ALA QB 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 133, 134,
 igr2= 235, 236, 237,
 &end
#
# 12 CYM  HA 13 PRO HD2 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 159, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 12 CYM  HA 13 PRO HD3 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 12 CYM  HA 15 CYM  HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 189, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 12 CYM  HA 17 TYR HB3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 215, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 12 CYM  HA 17 TYR QD 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 218, 227,
 &end
#
# 12 CYM  HA 17 TYR QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 220, 225,
 &end
#
# 12 CYM  HA 25 LEU QD1 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 336, 337, 338,
 &end
#
# 12 CYM  HA 25 LEU QD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 340, 341, 342,
 &end
#
# 12 CYM  HA 28 HIS HD2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 12 CYM  HA 29 LEU QD1 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 402, 403, 404,
 &end
#
# 12 CYM  HA 29 LEU QD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 406, 407, 408,
 &end
#
# 12 CYM  HB2 13 PRO HD2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 159, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 12 CYM  HB2 13 PRO HD3 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 160, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 12 CYM  HB2 14 GLN HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 12 CYM  HB2 15 CYM  HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 189, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 12 CYM  HB2 17 TYR HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 214, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 12 CYM  HB2 17 TYR HB3 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 215, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 12 CYM  HB2 17 TYR HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 210, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 12 CYM  HB2 17 TYR QD 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 218, 227,
 &end
#
# 12 CYM  HB2 17 TYR QE 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 220, 225,
 &end
#
# 12 CYM  HB2 25 LEU QD1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 336, 337, 338,
 &end
#
# 12 CYM  HB2 25 LEU QD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 340, 341, 342,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 389, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 12 CYM  HB2 29 LEU QD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 406, 407, 408,
 &end
#
# 12 CYM  HB3 13 PRO HD2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 12 CYM  HB3 13 PRO HD3 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 12 CYM  HB3 14 GLN HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 189, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 12 CYM  HB3 17 TYR HA 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 212, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 12 CYM  HB3 17 TYR HB2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 214, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 12 CYM  HB3 17 TYR HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 215, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 12 CYM  HB3 17 TYR HN 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 210, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 12 CYM  HB3 17 TYR QD 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 218, 227,
 &end
#
# 12 CYM  HB3 25 LEU QD1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 336, 337, 338,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 389, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 12 CYM  HN 13 PRO HD2 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 159, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 12 CYM  HN 13 PRO HD3 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 12 CYM  HN 15 CYM  HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 189, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 12 CYM  HN 16 SER HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HN 17 TYR HB2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 214, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 12 CYM  HN 17 TYR HB3 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 215, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 12 CYM  HN 17 TYR QD 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 218, 227,
 &end
#
# 12 CYM  HN 18 ALA QB 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 235, 236, 237,
 &end
#
# 12 CYM  HN 19 SER HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 12 CYM  HN 25 LEU QD1 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 336, 337, 338,
 &end
#
# 13 PRO HA 15 CYM  HN 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 189, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 13 PRO HB2 14 GLN HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 13 PRO HB2 14 GLN QG 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 179, 180,
 &end
#
# 13 PRO HB2 29 LEU QD2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HB3 14 GLN QG 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 179, 180,
 &end
#
# 13 PRO HB3 29 LEU QD2 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HD2 14 GLN HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 172, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 13 PRO HD2 25 LEU QD1 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 336, 337, 338,
 &end
#
# 13 PRO HD2 28 HIS HD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 13 PRO HD2 29 LEU QD1 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 402, 403, 404,
 &end
#
# 13 PRO HD2 29 LEU QD2 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HD3 14 GLN HN 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 172, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 13 PRO HD3 25 LEU QD1 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 336, 337, 338,
 &end
#
# 13 PRO HD3 25 LEU QD2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 340, 341, 342,
 &end
#
# 13 PRO HD3 29 LEU QD1 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 402, 403, 404,
 &end
#
# 13 PRO HD3 29 LEU QD2 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 406, 407, 408,
 &end
#
# 13 PRO HG2 14 GLN HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 162, 172, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 13 PRO HG3 14 GLN HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 172, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 13 PRO QG 14 GLN HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 162, 163,
 &end
#
# 13 PRO QG 14 GLN QG 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 162, 163,
 igr2= 179, 180,
 &end
#
# 13 PRO QG 29 LEU QD1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 162, 163,
 igr2= 402, 403, 404,
 &end
#
# 13 PRO QG 29 LEU QD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 162, 163,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN HA 14 GLN HG2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 14 GLN HA 14 GLN HG3 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 180, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 14 GLN HA 15 CYM  HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 189, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 14 GLN HB2 15 CYM  HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 14 GLN HB2 32 HIS HE1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 468, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 14 GLN HB3 15 CYM  HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 14 GLN HB3 32 HIS HE1 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 468, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 14 GLN HN 14 GLN HB2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 14 GLN HN 14 GLN HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 14 GLN HN 14 GLN HG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 179, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 14 GLN HN 14 GLN HG3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 180, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 14 GLN HN 14 GLN QB 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 176, 177,
 &end
#
# 14 GLN HN 14 GLN QG 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 179, 180,
 &end
#
# 14 GLN HN 15 CYM  HN 2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 189, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
# 14 GLN HN 29 LEU QD2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 406, 407, 408,
 &end
#
# 14 GLN HN 32 HIS HD2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 471, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 14 GLN QB 15 CYM  HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 176, 177,
 &end
#
# 14 GLN QB 32 HIS HD2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 176, 177,
 &end
#
# 14 GLN QB 32 HIS HE1 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 176, 177,
 &end
#
# 14 GLN QE2 32 HIS HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 184, 185,
 &end
#
# 14 GLN QE2 32 HIS HB3 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 184, 185,
 &end
#
# 14 GLN QG 15 CYM  HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 189, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 179, 180,
 &end
#
# 15 CYM  HA 17 TYR HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 191, 210, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 15 CYM  HB2 16 SER HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 15 CYM  HB2 17 TYR HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 210, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 15 CYM  HB3 16 SER HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 199, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 15 CYM  HB3 17 TYR HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 210, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 15 CYM  HN 15 CYM  HB2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 15 CYM  HN 15 CYM  HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 15 CYM  HN 15 CYM  QB 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 194, 193,
 &end
#
# 15 CYM  HN 17 TYR HB3 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15 CYM  HN 17 TYR HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 210, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 15 CYM  HN 29 LEU QD2 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 406, 407, 408,
 &end
#
# 15 CYM  QB 16 SER HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 194, 193,
 &end
#
# 15 CYM  QB 17 TYR HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 194, 193,
 &end
#
# 16 SER HB2 17 TYR HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 16 SER HB3 17 TYR HN 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 210, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 16 SER HN 17 TYR HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 210, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 16 SER QB 17 TYR HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 203, 204,
 &end
#
# 17 TYR HA 17 TYR QD 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 218, 227,
 &end
#
# 17 TYR HA 17 TYR QE 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 220, 225,
 &end
#
# 17 TYR HA 18 ALA HA 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 233, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 17 TYR HA 18 ALA HN 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 231, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 17 TYR HA 18 ALA QB 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 235, 236, 237,
 &end
#
# 17 TYR HA 28 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 TYR HB2 18 ALA HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 231, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 17 TYR HB2 25 LEU QD1 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 336, 337, 338,
 &end
#
# 17 TYR HB2 28 HIS HE1 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 386, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 17 TYR HB3 18 ALA HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 231, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 17 TYR HB3 25 LEU QD1 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 336, 337, 338,
 &end
#
# 17 TYR HB3 28 HIS HE1 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 386, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 17 TYR HN 17 TYR HB2 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 17 TYR HN 17 TYR HB3 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 17 TYR HN 17 TYR QD 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 218, 227,
 &end
#
# 17 TYR HN 18 ALA HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 231, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 17 TYR HN 28 HIS HE1 5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 386, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 17 TYR QD 18 ALA HA 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 233, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 18 ALA HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 19 SER HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 19 SER QB 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 218, 227,
 igr2= 245, 246,
 &end
#
# 17 TYR QD 25 LEU HA 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 25 LEU QD1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 218, 227,
 igr2= 336, 337, 338,
 &end
#
# 17 TYR QD 25 LEU QD2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 218, 227,
 igr2= 340, 341, 342,
 &end
#
# 17 TYR QD 28 HIS HB2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 28 HIS HB3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 28 HIS HD2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 218, 227,
 &end
#
# 17 TYR QD 28 HIS HE1 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 218, 227,
 &end
#
# 17 TYR QE 18 ALA HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HA 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HB2 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 19 SER QB 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 220, 225,
 igr2= 245, 246,
 &end
#
# 17 TYR QE 25 LEU HA 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU HB3 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 25 LEU QD1 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 220, 225,
 igr2= 336, 337, 338,
 &end
#
# 17 TYR QE 25 LEU QD2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 220, 225,
 igr2= 340, 341, 342,
 &end
#
# 17 TYR QE 28 HIS HB2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 28 HIS HB3 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 220, 225,
 &end
#
# 17 TYR QE 28 HIS HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 220, 225,
 &end
#
# 18 ALA HA 19 SER HN 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 241, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 18 ALA HA 25 LEU QD1 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 336, 337, 338,
 &end
#
# 18 ALA HN 18 ALA QB 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 235, 236, 237,
 &end
#
# 18 ALA HN 19 SER HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 241, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 18 ALA QB 19 SER HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 235, 236, 237,
 &end
#
# 18 ALA QB 19 SER HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 235, 236, 237,
 &end
#
# 19 SER HB2 21 ILE HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 262, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 19 SER HB2 24 ASN HB2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 317, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 19 SER HB2 24 ASN HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 318, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 19 SER HB2 25 LEU HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 331, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 SER HB2 25 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 336, 337, 338,
 &end
#
# 19 SER HB3 21 ILE HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 262, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 19 SER HB3 24 ASN HB2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 317, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 19 SER HB3 24 ASN HB3 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 318, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 19 SER HB3 25 LEU HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 331, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 SER HB3 25 LEU QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 336, 337, 338,
 &end
#
# 19 SER HN 19 SER HB2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 19 SER HN 19 SER HB3 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 19 SER HN 25 LEU QD1 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 336, 337, 338,
 &end
#
# 19 SER HN 25 LEU QD2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 340, 341, 342,
 &end
#
# 19 SER QB 21 ILE HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 245, 246,
 &end
#
# 19 SER QB 24 ASN HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 245, 246,
 &end
#
# 19 SER QB 24 ASN QB 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 245, 246,
 igr2= 317, 318,
 &end
#
# 19 SER QB 25 LEU HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 245, 246,
 &end
#
# 19 SER QB 25 LEU HB2 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 245, 246,
 &end
#
# 19 SER QB 25 LEU HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 245, 246,
 &end
#
# 19 SER QB 25 LEU QD1 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 245, 246,
 igr2= 336, 337, 338,
 &end
#
# 19 SER QB 25 LEU QD2 5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 245, 246,
 igr2= 340, 341, 342,
 &end
#
# 20 ALA QB 21 ILE HB 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 256, 257, 258,
 &end
#
# 20 ALA QB 21 ILE HG12 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 256, 257, 258,
 &end
#
# 20 ALA QB 21 ILE HG13 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 256, 257, 258,
 &end
#
# 20 ALA QB 21 ILE HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 256, 257, 258,
 &end
#
# 20 ALA QB 21 ILE QD1 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 256, 257, 258,
 igr2= 275, 276, 277,
 &end
#
# 20 ALA QB 21 ILE QG1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 256, 257, 258,
 igr2= 272, 273,
 &end
#
# 20 ALA QB 21 ILE QG2 5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 256, 257, 258,
 igr2= 268, 269, 270,
 &end
#
# 21 ILE HA 21 ILE HG12 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 21 ILE HA 21 ILE HG13 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 273, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 21 ILE HA 21 ILE QD1 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE HA 21 ILE QG2 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 268, 269, 270,
 &end
#
# 21 ILE HA 22 LYS HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 21 ILE HA 24 ASN HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 ILE HB 21 ILE QD1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE HB 24 ASN HB2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 317, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 21 ILE HB 24 ASN HB3 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 318, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 21 ILE HB 24 ASN HN 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 313, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 21 ILE HB 24 ASN QB 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 317, 318,
 &end
#
# 21 ILE HN 21 ILE HB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 21 ILE HN 21 ILE HG12 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 272, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 21 ILE HN 21 ILE HG13 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 21 ILE HN 21 ILE QD1 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE HN 21 ILE QG1 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 272, 273,
 &end
#
# 21 ILE HN 21 ILE QG2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 268, 269, 270,
 &end
#
# 21 ILE HN 24 ASN QB 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 317, 318,
 &end
#
# 21 ILE QD1 23 ALA QB 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 275, 276, 277,
 igr2= 307, 308, 309,
 &end
#
# 21 ILE QD1 24 ASN HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 275, 276, 277,
 &end
#
# 21 ILE QD1 24 ASN QB 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 275, 276, 277,
 igr2= 317, 318,
 &end
#
# 21 ILE QD1 24 ASN QD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 275, 276, 277,
 igr2= 322, 323,
 &end
#
# 21 ILE QG2 21 ILE HG12 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 21 ILE HG13 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 273, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 21 ILE QD1 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 268, 269, 270,
 igr2= 275, 276, 277,
 &end
#
# 21 ILE QG2 22 LYS HA 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 23 ALA HA 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 23 ALA HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 23 ALA QB 3.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 268, 269, 270,
 igr2= 307, 308, 309,
 &end
#
# 21 ILE QG2 24 ASN HB2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN HB3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN HN 3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 268, 269, 270,
 &end
#
# 21 ILE QG2 24 ASN QB 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 268, 269, 270,
 igr2= 317, 318,
 &end
#
# 21 ILE QG2 25 LEU HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 268, 269, 270,
 &end
#
# 22 LYS HA 22 LYS HD2 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 291, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 22 LYS HA 22 LYS HD3 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 292, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 22 LYS HA 22 LYS HG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 288, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 22 LYS HA 22 LYS HG3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 289, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 22 LYS HA 22 LYS QD 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 291, 292,
 &end
#
# 22 LYS HA 22 LYS QG 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 288, 289,
 &end
#
# 22 LYS HA 24 ASN HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 313, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 22 LYS HA 25 LEU HB2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 331, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 22 LYS HA 25 LEU HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 332, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 22 LYS HA 25 LEU HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 327, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 22 LYS HA 25 LEU QD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 340, 341, 342,
 &end
#
# 22 LYS HG2 22 LYS QE 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 294, 295,
 &end
#
# 22 LYS HG3 22 LYS QE 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 294, 295,
 &end
#
# 22 LYS QB 22 LYS QE 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 285, 286,
 igr2= 294, 295,
 &end
#
# 22 LYS QE 25 LEU QD2 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 294, 295,
 igr2= 340, 341, 342,
 &end
#
# 22 LYS QG 22 LYS QE 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 288, 289,
 igr2= 294, 295,
 &end
#
# 22 LYS QG 23 ALA HA 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 288, 289,
 &end
#
# 22 LYS QG 23 ALA QB 5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 288, 289,
 igr2= 307, 308, 309,
 &end
#
# 23 ALA HA 25 LEU HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 327, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 23 ALA HA 26 ASN HA 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 348, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 23 ALA HA 26 ASN HB2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 350, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 23 ALA HA 26 ASN HB3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 23 ALA HA 26 ASN HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 346, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 23 ALA HA 26 ASN QB 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 350, 351,
 &end
#
# 23 ALA HA 26 ASN QD2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 355, 356,
 &end
#
# 23 ALA HA 27 VAL HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 360, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 23 ALA HA 27 VAL QG2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 370, 371, 372,
 &end
#
# 23 ALA HN 23 ALA QB 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 307, 308, 309,
 &end
#
# 23 ALA HN 24 ASN HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 313, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 23 ALA QB 24 ASN HA 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 24 ASN HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 24 ASN QB 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 307, 308, 309,
 igr2= 317, 318,
 &end
#
# 23 ALA QB 25 LEU HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 26 ASN HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 307, 308, 309,
 &end
#
# 23 ALA QB 26 ASN QB 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 307, 308, 309,
 igr2= 350, 351,
 &end
#
# 23 ALA QB 26 ASN QD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 307, 308, 309,
 igr2= 355, 356,
 &end
#
# 23 ALA QB 27 VAL QG2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 307, 308, 309,
 igr2= 370, 371, 372,
 &end
#
# 24 ASN HA 27 VAL HB 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 364, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 24 ASN HA 27 VAL HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 360, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 24 ASN HA 27 VAL QG1 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 366, 367, 368,
 &end
#
# 24 ASN HA 27 VAL QG2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 370, 371, 372,
 &end
#
# 24 ASN HA 28 HIS HN 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 376, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 24 ASN HB2 25 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 317, 327, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 24 ASN HB3 25 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 24 ASN HN 24 ASN HB2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 317, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 24 ASN HN 24 ASN HB3 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 318, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 24 ASN HN 24 ASN QB 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 317, 318,
 &end
#
# 24 ASN HN 25 LEU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 ASN HN 25 LEU HB3 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 332, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 24 ASN HN 25 LEU HN 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 327, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 24 ASN HN 26 ASN HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 346, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 24 ASN QB 25 LEU HN 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 317, 318,
 &end
#
# 25 LEU HA 25 LEU HG 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 334, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 25 LEU HA 25 LEU QD1 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HA 25 LEU QD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HA 27 VAL HB 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 364, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 25 LEU HA 28 HIS HA 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 378, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 25 LEU HA 28 HIS HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 380, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 25 LEU HA 28 HIS HB3 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 381, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 25 LEU HA 28 HIS HD2 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 389, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 25 LEU HA 28 HIS HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 376, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 25 LEU HA 29 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU HB2 25 LEU QD1 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HB2 26 ASN HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 346, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 25 LEU HB3 25 LEU QD1 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HB3 26 ASN HN 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 346, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 25 LEU HB3 29 LEU QD1 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 402, 403, 404,
 &end
#
# 25 LEU HG 26 ASN HA 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 25 LEU HG 26 ASN HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 346, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 25 LEU HG 28 HIS HB3 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 381, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 25 LEU HG 29 LEU HG 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 400, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 25 LEU HG 29 LEU HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 393, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 25 LEU HG 29 LEU QD1 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 402, 403, 404,
 &end
#
# 25 LEU HG 29 LEU QD2 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 406, 407, 408,
 &end
#
# 25 LEU HN 25 LEU HB2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 25 LEU HN 25 LEU HB3 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 25 LEU HN 25 LEU HG 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 334, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 25 LEU HN 25 LEU QD1 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 336, 337, 338,
 &end
#
# 25 LEU HN 25 LEU QD2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 340, 341, 342,
 &end
#
# 25 LEU HN 26 ASN HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 346, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 25 LEU HN 26 ASN QB 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 350, 351,
 &end
#
# 25 LEU HN 28 HIS HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU QD1 26 ASN HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 28 HIS HB2 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 28 HIS HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 28 HIS HD2 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 28 HIS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 29 LEU HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 29 LEU HB2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 29 LEU HB3 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 29 LEU HG 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 29 LEU HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD1 29 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 336, 337, 338,
 igr2= 406, 407, 408,
 &end
#
# 25 LEU QD1 32 HIS HD2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 336, 337, 338,
 &end
#
# 25 LEU QD2 29 LEU HG 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 340, 341, 342,
 &end
#
# 25 LEU QD2 29 LEU QD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 340, 341, 342,
 igr2= 406, 407, 408,
 &end
#
# 26 ASN HA 29 LEU HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 397, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 26 ASN HA 29 LEU HB3 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 398, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 26 ASN HA 29 LEU HG 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 400, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 26 ASN HA 29 LEU HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 393, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 26 ASN HA 29 LEU QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 402, 403, 404,
 &end
#
# 26 ASN HB2 27 VAL HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 360, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 26 ASN HB2 29 LEU QD1 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 350,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 402, 403, 404,
 &end
#
# 26 ASN HB3 27 VAL HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 360, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 26 ASN HB3 29 LEU QD1 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 402, 403, 404,
 &end
#
# 26 ASN HN 26 ASN HB2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 350, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 26 ASN HN 26 ASN HB3 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 351, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 26 ASN HN 26 ASN QB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 350, 351,
 &end
#
# 26 ASN HN 27 VAL HN 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 360, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 26 ASN HN 29 LEU QD1 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 402, 403, 404,
 &end
#
# 26 ASN QB 27 VAL HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 350, 351,
 &end
#
# 26 ASN QB 27 VAL QG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 350, 351,
 igr2= 370, 371, 372,
 &end
#
# 26 ASN QB 29 LEU HB2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 350, 351,
 &end
#
# 26 ASN QB 29 LEU QD1 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 350, 351,
 igr2= 402, 403, 404,
 &end
#
# 27 VAL HA 27 VAL QG1 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 366, 367, 368,
 &end
#
# 27 VAL HA 27 VAL QG2 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 370, 371, 372,
 &end
#
# 27 VAL HA 29 LEU HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 393, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 27 VAL HA 30 ARG HB3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 417, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 27 VAL HA 30 ARG HG2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 419, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 27 VAL HA 30 ARG HG3 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 420, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 27 VAL HA 30 ARG HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 412, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 27 VAL HA 30 ARG QD 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 422, 423,
 &end
#
# 27 VAL HA 30 ARG QG 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 419, 420,
 &end
#
# 27 VAL HB 28 HIS HA 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 378, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 27 VAL HB 28 HIS HB2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 27 VAL HB 28 HIS HN 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 376, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 27 VAL HB 29 LEU HN 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 393, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 27 VAL HB 30 ARG QD 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 422, 423,
 &end
#
# 27 VAL HN 27 VAL HB 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 27 VAL HN 27 VAL QG1 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 366, 367, 368,
 &end
#
# 27 VAL HN 27 VAL QG2 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 370, 371, 372,
 &end
#
# 27 VAL HN 28 HIS HB2 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 27 VAL HN 28 HIS HB3 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 381, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 27 VAL HN 28 HIS HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 376, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 27 VAL HN 29 LEU HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 393, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 27 VAL QG1 28 HIS HA 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 366, 367, 368,
 &end
#
# 27 VAL QG1 28 HIS HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 366, 367, 368,
 &end
#
# 27 VAL QG1 30 ARG QD 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 366, 367, 368,
 igr2= 422, 423,
 &end
#
# 27 VAL QG1 30 ARG QG 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 366, 367, 368,
 igr2= 419, 420,
 &end
#
# 27 VAL QG1 31 LYS QD 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 366, 367, 368,
 igr2= 446, 447,
 &end
#
# 27 VAL QG1 31 LYS QE 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 366, 367, 368,
 igr2= 449, 450,
 &end
#
# 27 VAL QG2 28 HIS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 370, 371, 372,
 &end
#
# 27 VAL QG2 28 HIS HN 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 370, 371, 372,
 &end
#
# 27 VAL QG2 30 ARG QD 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 370, 371, 372,
 igr2= 422, 423,
 &end
#
# 28 HIS HA 28 HIS HD2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 389, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 28 HIS HA 31 LYS HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 436, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 28 HIS HA 31 LYS QB 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 440, 441,
 &end
#
# 28 HIS HA 31 LYS QD 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 446, 447,
 &end
#
# 28 HIS HA 31 LYS QE 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 449, 450,
 &end
#
# 28 HIS HA 31 LYS QG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 443, 444,
 &end
#
# 28 HIS HB2 29 LEU HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 393, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 28 HIS HB3 28 HIS HD2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 28 HIS HB3 29 LEU HA 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 395, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 28 HIS HB3 29 LEU HG 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 28 HIS HB3 29 LEU HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 393, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 28 HIS HD2 29 LEU HA 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 395, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 28 HIS HD2 29 LEU HG 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 400, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 28 HIS HD2 29 LEU HN 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 28 HIS HD2 29 LEU QD1 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 402, 403, 404,
 &end
#
# 28 HIS HD2 29 LEU QD2 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 406, 407, 408,
 &end
#
# 28 HIS HD2 32 HIS HD2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 471, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 28 HIS HE1 31 LYS QD 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 446, 447,
 &end
#
# 28 HIS HN 28 HIS HB2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 28 HIS HN 28 HIS HB3 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 28 HIS HN 28 HIS HD2 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 389, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 28 HIS HN 29 LEU HB2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 397, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 28 HIS HN 29 LEU HN 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 393, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 28 HIS HN 30 ARG HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 412, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 29 LEU HA 29 LEU HG 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 29 LEU HA 29 LEU QD1 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HA 29 LEU QD2 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HA 30 ARG HA 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 414, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 29 LEU HA 31 LYS HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 29 LEU HA 31 LYS QB 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 440, 441,
 &end
#
# 29 LEU HA 32 HIS HB2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 462, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 29 LEU HA 32 HIS HB3 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 463, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 29 LEU HA 32 HIS HD2 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 471, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 29 LEU HA 32 HIS HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 458, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 29 LEU HB2 29 LEU QD1 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HB2 29 LEU QD2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HB2 30 ARG HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 29 LEU HB2 32 HIS HD2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 471, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 29 LEU HB2 33 THR QG2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 481, 482, 483,
 &end
#
# 29 LEU HB3 29 LEU QD1 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HB3 29 LEU QD2 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HB3 30 ARG HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 412, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 29 LEU HB3 31 LYS HN 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 436, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 29 LEU HB3 32 HIS HD2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 471, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 29 LEU HB3 33 THR QG2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 481, 482, 483,
 &end
#
# 29 LEU HG 30 ARG HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 412, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 29 LEU HG 32 HIS HD2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 471, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 29 LEU HG 32 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LEU HN 29 LEU HB2 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 397, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 29 LEU HN 29 LEU HB3 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 398, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 29 LEU HN 29 LEU HG 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 400, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 29 LEU HN 29 LEU QD1 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 402, 403, 404,
 &end
#
# 29 LEU HN 29 LEU QD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 406, 407, 408,
 &end
#
# 29 LEU HN 30 ARG HB2 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 416, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 29 LEU HN 30 ARG HN 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 412, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 29 LEU HN 31 LYS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 436, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 29 LEU HN 31 LYS QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 440, 441,
 &end
#
# 29 LEU QD1 30 ARG HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 402, 403, 404,
 &end
#
# 29 LEU QD1 30 ARG HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 402, 403, 404,
 &end
#
# 29 LEU QD1 32 HIS HB2 5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 402, 403, 404,
 &end
#
# 29 LEU QD1 32 HIS HD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 402, 403, 404,
 &end
#
# 29 LEU QD2 30 ARG HN 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HB2 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HB3 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HD2 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 32 HIS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 406, 407, 408,
 &end
#
# 29 LEU QD2 33 THR HN 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 406, 407, 408,
 &end
#
# 30 ARG HA 30 ARG HG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 30 ARG HA 30 ARG HG3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 420, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 30 ARG HA 30 ARG QD 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 422, 423,
 &end
#
# 30 ARG HA 30 ARG QG 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 419, 420,
 &end
#
# 30 ARG HA 32 HIS HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 458, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 30 ARG HA 33 THR QG2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 481, 482, 483,
 &end
#
# 30 ARG HB2 30 ARG QD 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 416,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 422, 423,
 &end
#
# 30 ARG HB2 31 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 436, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 30 ARG HB3 30 ARG QD 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 422, 423,
 &end
#
# 30 ARG HB3 31 LYS HA 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 438, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 30 ARG HB3 31 LYS HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 436, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 30 ARG HN 30 ARG HB2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 30 ARG HN 30 ARG HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 30 ARG HN 30 ARG HG2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 30 ARG HN 30 ARG HG3 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 30 ARG HN 30 ARG QD 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 422, 423,
 &end
#
# 30 ARG HN 30 ARG QG 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 419, 420,
 &end
#
# 30 ARG HN 31 LYS HA 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 438, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 30 ARG HN 31 LYS HN 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 436, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 30 ARG HN 31 LYS QB 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 440, 441,
 &end
#
# 30 ARG HN 31 LYS QG 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 443, 444,
 &end
#
# 30 ARG QG 31 LYS HN 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 419, 420,
 &end
#
# 31 LYS HA 31 LYS QB 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 440, 441,
 &end
#
# 31 LYS HA 31 LYS QD 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 446, 447,
 &end
#
# 31 LYS HA 31 LYS QG 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 443, 444,
 &end
#
# 31 LYS HN 31 LYS QB 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 440, 441,
 &end
#
# 31 LYS HN 31 LYS QD 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 446, 447,
 &end
#
# 31 LYS HN 31 LYS QE 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 449, 450,
 &end
#
# 31 LYS HN 31 LYS QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 443, 444,
 &end
#
# 31 LYS HN 32 HIS HB2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 462, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 31 LYS HN 32 HIS HD2 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 471, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 31 LYS HN 32 HIS HN 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 458, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 31 LYS QB 31 LYS QE 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 440, 441,
 igr2= 449, 450,
 &end
#
# 31 LYS QB 31 LYS QG 2.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 440, 441,
 igr2= 443, 444,
 &end
#
# 31 LYS QB 32 HIS HN 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 440, 441,
 &end
#
# 31 LYS QG 31 LYS QE 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 443, 444,
 igr2= 449, 450,
 &end
#
# 31 LYS QG 32 HIS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 443, 444,
 &end
#
# 32 HIS HB2 32 HIS HD2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 462, 471, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 32 HIS HB2 33 THR QG2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 481, 482, 483,
 &end
#
# 32 HIS HB3 32 HIS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 471, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 32 HIS HB3 33 THR QG2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 481, 482, 483,
 &end
#
# 32 HIS HN 32 HIS HB2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 32 HIS HN 32 HIS HB3 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 463, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 32 HIS HN 32 HIS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 471, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 32 HIS HN 33 THR HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 32 HIS HN 33 THR HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 475, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 32 HIS HN 33 THR QG2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 481, 482, 483,
 &end
#
# 33 THR HA 33 THR QG2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 481, 482, 483,
 &end
#
# 33 THR HN 33 THR HB 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 33 THR HN 33 THR QG2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 481, 482, 483,
 &end
#
# 35 GLU HA 35 GLU QG 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 503, 504,
 &end
#
# 35 GLU HA 36 LYS HN 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 35 GLU HB2 36 LYS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 511, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 35 GLU HB3 36 LYS HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 511, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 35 GLU HN 35 GLU QG 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 503, 504,
 &end
#
# 35 GLU QB 36 LYS HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 500, 501,
 &end
#
# 36 LYS HN 36 LYS QG 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 518, 519,
 &end
# 533 atoms read from pdb file leap.pdb.
# 11 LYS PHI:  (10 TYR C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -134.0 -74.0
 &rst     iat =   123,   125,   127,   145,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 CYM N)  90.0 150.0
 &rst     iat =   125,   127,   145,   147,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end
# 15 CYS CHI1:  (15 CYM N)-(15 CYM CA)-(15 CYM CB)-(15 CYM SG) -90.0 -30.0
 &rst     iat =   188,   190,   192,   195,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 17 TYR CHI1:  (17 TYR N)-(17 TYR CA)-(17 TYR CB)-(17 TYR CG) 150.0 210.0
 &rst     iat =   209,   211,   213,   216,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 18 ALA PHI:  (17 TYR C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -141.0 -81.0
 &rst     iat =   228,   230,   232,   238,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end
# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 SER N) 123.0 183.0
 &rst     iat =   230,   232,   238,   240,
   r1 = 122.0, r2 = 123.0, r3 = 183.0, r4 = 184.0,
 &end
# 19 SER PHI:  (18 ALA C)-(19 SER N)-(19 SER CA)-(19 SER C) -141.0 -81.0
 &rst     iat =   238,   240,   242,   249,
   r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
 &end
# 19 SER PSI:  (19 SER N)-(19 SER CA)-(19 SER C)-(20 ALA N) 106.0 166.0
 &rst     iat =   240,   242,   249,   251,
   r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0,
 &end
# 22 LYS PHI:  (21 ILE C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -88.0 -28.0
 &rst     iat =   278,   280,   282,   300,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end
# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 ALA N) -68.0  -8.0
 &rst     iat =   280,   282,   300,   302,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 23 ALA PHI:  (22 LYS C)-(23 ALA N)-(23 ALA CA)-(23 ALA C) -94.0 -34.0
 &rst     iat =   300,   302,   304,   310,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 23 ALA PSI:  (23 ALA N)-(23 ALA CA)-(23 ALA C)-(24 ASN N) -68.0  -8.0
 &rst     iat =   302,   304,   310,   312,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 24 ASN PHI:  (23 ALA C)-(24 ASN N)-(24 ASN CA)-(24 ASN C) -95.0 -35.0
 &rst     iat =   310,   312,   314,   324,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 LEU N) -69.0  -9.0
 &rst     iat =   312,   314,   324,   326,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) 150.0 210.0
 &rst     iat =   326,   328,   330,   333,
   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) -97.0 -37.0
 &rst     iat =   324,   326,   328,   343,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 ASN N) -68.0  -8.0
 &rst     iat =   326,   328,   343,   345,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 26 ASN PHI:  (25 LEU C)-(26 ASN N)-(26 ASN CA)-(26 ASN C) -96.0 -36.0
 &rst     iat =   343,   345,   347,   357,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 26 ASN PSI:  (26 ASN N)-(26 ASN CA)-(26 ASN C)-(27 VAL N) -73.0 -13.0
 &rst     iat =   345,   347,   357,   359,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 27 VAL PHI:  (26 ASN C)-(27 VAL N)-(27 VAL CA)-(27 VAL C) -98.0 -38.0
 &rst     iat =   357,   359,   361,   373,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 27 VAL PSI:  (27 VAL N)-(27 VAL CA)-(27 VAL C)-(28 HID N) -71.0 -11.0
 &rst     iat =   359,   361,   373,   375,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 28 HIS CHI1:  (28 HID N)-(28 HID CA)-(28 HID CB)-(28 HID CG) 150.0 210.0
 &rst     iat =   375,   377,   379,   382,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 28 HIS PHI:  (27 VAL C)-(28 HID N)-(28 HID CA)-(28 HID C) -95.0 -35.0
 &rst     iat =   373,   375,   377,   390,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 LEU N) -69.0  -9.0
 &rst     iat =   375,   377,   390,   392,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 29 LEU CHI1:  (29 LEU N)-(29 LEU CA)-(29 LEU CB)-(29 LEU CG) -90.0 -30.0
 &rst     iat =   392,   394,   396,   399,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 29 LEU PHI:  (28 HID C)-(29 LEU N)-(29 LEU CA)-(29 LEU C) -92.0 -32.0
 &rst     iat =   390,   392,   394,   409,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 29 LEU PSI:  (29 LEU N)-(29 LEU CA)-(29 LEU C)-(30 ARG N) -67.0  -7.0
 &rst     iat =   392,   394,   409,   411,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end
# 30 ARG CHI1:  (30 ARG N)-(30 ARG CA)-(30 ARG CB)-(30 ARG CG) -90.0 -30.0
 &rst     iat =   411,   413,   415,   418,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 30 ARG PHI:  (29 LEU C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -100.0 -40.0
 &rst     iat =   409,   411,   413,   433,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end
# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 LYS N) -64.0  -4.0
 &rst     iat =   411,   413,   433,   435,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 31 LYS PHI:  (30 ARG C)-(31 LYS N)-(31 LYS CA)-(31 LYS C) -102.0 -42.0
 &rst     iat =   433,   435,   437,   455,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end
# 31 LYS PSI:  (31 LYS N)-(31 LYS CA)-(31 LYS C)-(32 HID N) -61.0  -1.0
 &rst     iat =   435,   437,   455,   457,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end
# 32 HIS CHI1:  (32 HID N)-(32 HID CA)-(32 HID CB)-(32 HID CG) -90.0 -30.0
 &rst     iat =   457,   459,   461,   464,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 32 HIS PHI:  (31 LYS C)-(32 HID N)-(32 HID CA)-(32 HID C) -112.0 -52.0
 &rst     iat =   455,   457,   459,   472,
   r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0,
 &end
# 32 HIS PSI:  (32 HID N)-(32 HID CA)-(32 HID C)-(33 THR N) -53.0   7.0
 &rst     iat =   457,   459,   472,   474,
   r1 = -54.0, r2 = -53.0, r3 =   7.0, r4 =   8.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 195, 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= 154, 387, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 469, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 533, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 533, 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= 195, 387, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 469, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 533, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 533, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   32 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 469, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 533, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  32 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 533, 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 -25.837  -7.170  -9.529
    2    H2   GLY   1           2H       GLY   1 -25.046  -8.601  -9.434
    3    H3   GLY   1           3H       GLY   1 -24.643  -7.517 -10.595
    4    HA2  GLY   1           1HA      GLY   1 -24.277  -7.127  -7.695
    5    HA3  GLY   1           2HA      GLY   1 -22.987  -7.515  -8.847
    6    H    SER   2           H        SER   2 -24.095  -5.055  -7.102
    7    HA   SER   2           HA       SER   2 -23.656  -2.934  -9.176
    8    HB2  SER   2           1HB      SER   2 -25.564  -2.847  -6.819
    9    HB3  SER   2           2HB      SER   2 -25.346  -1.598  -8.060
   10    HG   SER   2           HG       SER   2 -27.158  -2.945  -8.490
   11    H    SER   3           H        SER   3 -21.851  -4.197  -6.941
   12    HA   SER   3           HA       SER   3 -21.378  -2.226  -4.961
   13    HB2  SER   3           1HB      SER   3 -19.452  -4.316  -6.037
   14    HB3  SER   3           2HB      SER   3 -19.332  -3.469  -4.483
   15    HG   SER   3           HG       SER   3 -20.306  -5.542  -4.264
   16    H    GLY   4           H        GLY   4 -19.847  -0.660  -4.670
   17    HA2  GLY   4           1HA      GLY   4 -18.604   0.634  -7.012
   18    HA3  GLY   4           2HA      GLY   4 -18.637   1.212  -5.352
   19    H    SER   5           H        SER   5 -16.414   1.759  -5.585
   20    HA   SER   5           HA       SER   5 -14.323  -0.242  -5.903
   21    HB2  SER   5           1HB      SER   5 -12.817   1.587  -5.333
   22    HB3  SER   5           2HB      SER   5 -14.001   2.105  -6.541
   23    HG   SER   5           HG       SER   5 -13.791   3.666  -4.895
   24    H    SER   6           H        SER   6 -12.561  -0.334  -4.119
   25    HA   SER   6           HA       SER   6 -13.649  -1.694  -1.845
   26    HB2  SER   6           1HB      SER   6 -11.310  -1.926  -1.174
   27    HB3  SER   6           2HB      SER   6 -11.490  -2.235  -2.911
   28    HG   SER   6           HG       SER   6  -9.764  -0.857  -2.692
   29    H    GLY   7           H        GLY   7 -12.857   1.670  -2.300
   30    HA2  GLY   7           1HA      GLY   7 -13.013   3.502  -0.912
   31    HA3  GLY   7           2HA      GLY   7 -13.731   2.477   0.332
   32    H    LYS   8           H        LYS   8 -10.696   1.232  -0.630
   33    HA   LYS   8           HA       LYS   8  -9.527   1.723   1.961
   34    HB2  LYS   8           1HB      LYS   8  -8.538   0.410  -0.582
   35    HB3  LYS   8           2HB      LYS   8  -7.516   0.574   0.840
   36    HG2  LYS   8           1HG      LYS   8  -9.013  -0.704   2.220
   37    HG3  LYS   8           2HG      LYS   8 -10.274  -0.696   0.984
   38    HD2  LYS   8           1HD      LYS   8  -8.835  -2.058  -0.513
   39    HD3  LYS   8           2HD      LYS   8  -7.561  -2.062   0.719
   40    HE2  LYS   8           1HE      LYS   8  -9.101  -3.189   2.312
   41    HE3  LYS   8           2HE      LYS   8 -10.373  -3.188   1.085
   42    HZ1  LYS   8           3HZ      LYS   8  -7.765  -4.598   0.824
   43    HZ2  LYS   8           1HZ      LYS   8  -8.950  -4.604  -0.301
   44    HZ3  LYS   8           2HZ      LYS   8  -9.195  -5.315   1.146
   45    HA   PRO   9           HA       PRO   9  -7.986   5.701   0.635
   46    HB2  PRO   9           1HB      PRO   9  -7.093   6.710   3.008
   47    HB3  PRO   9           2HB      PRO   9  -8.824   6.466   2.644
   48    HG2  PRO   9           1HG      PRO   9  -6.962   4.657   4.186
   49    HG3  PRO   9           2HG      PRO   9  -8.593   5.182   4.663
   50    HD2  PRO   9           1HD      PRO   9  -8.116   2.758   3.460
   51    HD3  PRO   9           2HD      PRO   9  -9.604   3.686   3.178
   52    H    TYR  10           H        TYR  10  -5.812   3.520   2.482
   53    HA   TYR  10           HA       TYR  10  -3.488   5.138   1.801
   54    HB2  TYR  10           1HB      TYR  10  -3.643   2.440   3.182
   55    HB3  TYR  10           2HB      TYR  10  -2.240   3.496   3.092
   56    HD1  TYR  10           2HD      TYR  10  -2.326   5.786   4.228
   57    HD2  TYR  10           1HD      TYR  10  -5.344   2.763   4.822
   58    HE1  TYR  10           2HE      TYR  10  -3.109   6.957   6.287
   59    HE2  TYR  10           1HE      TYR  10  -6.101   3.905   6.879
   60    HH   TYR  10           HH       TYR  10  -5.801   5.698   8.293
   61    H    LYS  11           H        LYS  11  -3.153   5.120  -0.361
   62    HA   LYS  11           HA       LYS  11  -2.943   2.527  -1.826
   63    HB2  LYS  11           1HB      LYS  11  -3.270   5.302  -2.997
   64    HB3  LYS  11           2HB      LYS  11  -3.334   3.752  -3.847
   65    HG2  LYS  11           1HG      LYS  11  -5.365   3.212  -2.307
   66    HG3  LYS  11           2HG      LYS  11  -5.357   4.939  -1.918
   67    HD2  LYS  11           1HD      LYS  11  -5.404   5.389  -4.426
   68    HD3  LYS  11           2HD      LYS  11  -5.702   3.670  -4.672
   69    HE2  LYS  11           1HE      LYS  11  -7.465   5.594  -3.078
   70    HE3  LYS  11           2HE      LYS  11  -7.752   5.081  -4.742
   71    HZ1  LYS  11           3HZ      LYS  11  -7.899   2.759  -3.869
   72    HZ2  LYS  11           1HZ      LYS  11  -9.077   3.741  -3.308
   73    HZ3  LYS  11           2HZ      LYS  11  -7.839   3.357  -2.329
   74    H    CYS  12           H        CYS  12  -1.262   2.027  -3.148
   75    HA   CYS  12           HA       CYS  12   1.346   3.030  -2.468
   76    HB2  CYS  12           1HB      CYS  12   0.935   0.708  -2.990
   77    HB3  CYS  12           2HB      CYS  12   0.386   1.134  -4.617
   78    HA   PRO  13           HA       PRO  13   1.483   6.232  -5.678
   79    HB2  PRO  13           1HB      PRO  13   4.097   6.981  -5.486
   80    HB3  PRO  13           2HB      PRO  13   2.892   7.352  -4.217
   81    HG2  PRO  13           1HG      PRO  13   4.874   5.054  -4.285
   82    HG3  PRO  13           2HG      PRO  13   4.548   6.195  -2.941
   83    HD2  PRO  13           1HD      PRO  13   3.393   3.722  -3.097
   84    HD3  PRO  13           2HD      PRO  13   2.516   5.115  -2.404
   85    H    GLN  14           H        GLN  14   3.066   3.164  -5.817
   86    HA   GLN  14           HA       GLN  14   3.857   3.613  -8.680
   87    HB2  GLN  14           1HB      GLN  14   5.098   1.727  -6.648
   88    HB3  GLN  14           2HB      GLN  14   5.515   1.835  -8.364
   89    HG2  GLN  14           1HG      GLN  14   6.137   4.259  -8.001
   90    HG3  GLN  14           2HG      GLN  14   5.875   4.022  -6.273
   91   HE21  GLN  14          1HE2      GLN  14   8.229   4.811  -6.293
   92   HE22  GLN  14          2HE2      GLN  14   9.455   3.565  -6.478
   93    H    CYS  15           H        CYS  15   2.010   1.529  -6.521
   94    HA   CYS  15           HA       CYS  15   1.324  -0.269  -8.825
   95    HB2  CYS  15           1HB      CYS  15   0.831  -0.873  -5.910
   96    HB3  CYS  15           2HB      CYS  15   0.860  -1.991  -7.270
   97    H    SER  16           H        SER  16  -0.868  -1.342  -8.528
   98    HA   SER  16           HA       SER  16  -3.061   0.573  -8.097
   99    HB2  SER  16           1HB      SER  16  -4.471  -1.351  -8.799
  100    HB3  SER  16           2HB      SER  16  -3.211  -0.940  -9.974
  101    HG   SER  16           HG       SER  16  -3.338  -3.209  -9.586
  102    H    TYR  17           H        TYR  17  -1.171  -1.084  -5.993
  103    HA   TYR  17           HA       TYR  17  -2.884  -2.502  -4.246
  104    HB2  TYR  17           1HB      TYR  17  -0.468  -2.760  -4.260
  105    HB3  TYR  17           2HB      TYR  17  -0.241  -1.084  -3.798
  106    HD1  TYR  17           2HD      TYR  17  -1.201  -4.441  -2.614
  107    HD2  TYR  17           1HD      TYR  17  -0.606  -0.314  -1.470
  108    HE1  TYR  17           2HE      TYR  17  -1.150  -5.099  -0.208
  109    HE2  TYR  17           1HE      TYR  17  -0.562  -0.973   0.906
  110    HH   TYR  17           HH       TYR  17  -0.563  -2.722   2.393
  111    H    ALA  18           H        ALA  18  -4.147  -1.956  -2.576
  112    HA   ALA  18           HA       ALA  18  -3.876   0.642  -1.258
  113    HB1  ALA  18           1HB      ALA  18  -5.614   1.001  -3.007
  114    HB2  ALA  18           2HB      ALA  18  -6.564  -0.332  -2.313
  115    HB3  ALA  18           3HB      ALA  18  -6.264   1.142  -1.361
  116    H    SER  19           H        SER  19  -4.538   0.653   0.893
  117    HA   SER  19           HA       SER  19  -5.747  -1.802   2.054
  118    HB2  SER  19           1HB      SER  19  -3.189  -1.855   2.224
  119    HB3  SER  19           2HB      SER  19  -3.353  -0.521   3.384
  120    HG   SER  19           HG       SER  19  -4.430  -3.162   3.501
  121    H    ALA  20           H        ALA  20  -6.458  -1.521   4.281
  122    HA   ALA  20           HA       ALA  20  -7.784   1.089   4.712
  123    HB1  ALA  20           1HB      ALA  20  -9.157  -0.175   6.300
  124    HB2  ALA  20           2HB      ALA  20  -9.112  -0.992   4.729
  125    HB3  ALA  20           3HB      ALA  20  -8.131  -1.607   6.081
  126    H    ILE  21           H        ILE  21  -4.855  -0.211   5.630
  127    HA   ILE  21           HA       ILE  21  -4.724   1.361   8.174
  128    HB   ILE  21           HB       ILE  21  -3.617  -1.411   7.621
  129   HG12  ILE  21          1HG1      ILE  21  -5.713  -0.484   9.636
  130   HG13  ILE  21          2HG1      ILE  21  -6.034  -1.398   8.162
  131   HG21  ILE  21          1HG2      ILE  21  -2.722  -1.364   9.927
  132   HG22  ILE  21          2HG2      ILE  21  -1.990  -0.141   8.933
  133   HG23  ILE  21          3HG2      ILE  21  -3.254   0.325  10.101
  134   HD11  ILE  21          3HD1      ILE  21  -4.598  -3.266   9.053
  135   HD12  ILE  21          1HD1      ILE  21  -4.571  -2.406  10.614
  136   HD13  ILE  21          2HD1      ILE  21  -6.108  -2.956   9.937
  137    H    LYS  22           H        LYS  22  -3.034   2.727   8.304
  138    HA   LYS  22           HA       LYS  22  -1.395   3.324   6.063
  139    HB2  LYS  22           1HB      LYS  22  -2.097   4.845   7.976
  140    HB3  LYS  22           2HB      LYS  22  -0.857   4.081   8.970
  141    HG2  LYS  22           1HG      LYS  22   0.893   4.829   7.378
  142    HG3  LYS  22           2HG      LYS  22  -0.354   5.517   6.319
  143    HD2  LYS  22           1HD      LYS  22  -1.028   7.079   8.130
  144    HD3  LYS  22           2HD      LYS  22   0.226   6.390   9.186
  145    HE2  LYS  22           1HE      LYS  22   1.969   7.066   7.545
  146    HE3  LYS  22           2HE      LYS  22   0.721   7.752   6.497
  147    HZ1  LYS  22           3HZ      LYS  22   0.179   9.323   8.284
  148    HZ2  LYS  22           1HZ      LYS  22   1.752   9.462   7.880
  149    HZ3  LYS  22           2HZ      LYS  22   1.333   8.689   9.253
  150    H    ALA  23           H        ALA  23  -0.617   1.420   8.965
  151    HA   ALA  23           HA       ALA  23   2.134   1.008   8.399
  152    HB1  ALA  23           1HB      ALA  23   0.199  -0.730   9.968
  153    HB2  ALA  23           2HB      ALA  23   1.974  -0.769  10.064
  154    HB3  ALA  23           3HB      ALA  23   1.099   0.679  10.595
  155    H    ASN  24           H        ASN  24  -0.727  -0.739   7.146
  156    HA   ASN  24           HA       ASN  24   0.752  -2.950   5.996
  157    HB2  ASN  24           1HB      ASN  24  -1.941  -1.690   5.313
  158    HB3  ASN  24           2HB      ASN  24  -1.309  -3.127   4.535
  159   HD21  ASN  24          1HD2      ASN  24  -3.679  -3.369   5.602
  160   HD22  ASN  24          2HD2      ASN  24  -3.598  -4.366   7.061
  161    H    LEU  25           H        LEU  25  -0.176   0.299   4.757
  162    HA   LEU  25           HA       LEU  25   1.093  -0.070   2.190
  163    HB2  LEU  25           1HB      LEU  25  -0.670   1.592   2.535
  164    HB3  LEU  25           2HB      LEU  25   0.319   2.442   3.727
  165    HG   LEU  25           HG       LEU  25   2.000   2.966   1.978
  166   HD11  LEU  25          1HD1      LEU  25   1.429   2.610  -0.400
  167   HD12  LEU  25          2HD1      LEU  25   0.009   1.647   0.083
  168   HD13  LEU  25          3HD1      LEU  25   1.658   1.081   0.433
  169   HD21  LEU  25          3HD2      LEU  25   0.157   4.541   2.454
  170   HD22  LEU  25          1HD2      LEU  25  -0.795   3.778   1.157
  171   HD23  LEU  25          2HD2      LEU  25   0.714   4.621   0.773
  172    H    ASN  26           H        ASN  26   2.225   1.294   5.320
  173    HA   ASN  26           HA       ASN  26   4.803   2.119   4.534
  174    HB2  ASN  26           1HB      ASN  26   3.681   2.533   6.711
  175    HB3  ASN  26           2HB      ASN  26   3.930   0.846   7.152
  176   HD21  ASN  26          1HD2      ASN  26   4.933   3.540   8.249
  177   HD22  ASN  26          2HD2      ASN  26   6.648   3.220   8.454
  178    H    VAL  27           H        VAL  27   3.851  -1.193   5.678
  179    HA   VAL  27           HA       VAL  27   6.394  -2.406   5.172
  180    HB   VAL  27           HB       VAL  27   3.599  -3.572   5.270
  181   HG11  VAL  27          1HG1      VAL  27   4.706  -5.785   5.607
  182   HG12  VAL  27          2HG1      VAL  27   4.944  -5.159   3.976
  183   HG13  VAL  27          3HG1      VAL  27   6.264  -5.051   5.163
  184   HG21  VAL  27          3HG2      VAL  27   4.507  -2.603   7.394
  185   HG22  VAL  27          1HG2      VAL  27   4.317  -4.357   7.489
  186   HG23  VAL  27          2HG2      VAL  27   5.930  -3.651   7.241
  187    H    HIS  28           H        HIS  28   3.569  -1.986   2.987
  188    HA   HIS  28           HA       HIS  28   4.686  -3.440   0.813
  189    HB2  HIS  28           1HB      HIS  28   2.317  -2.842   0.992
  190    HB3  HIS  28           2HB      HIS  28   2.701  -1.132   0.857
  191    HD1  HIS  28           1HD      HIS  28   2.417  -4.257  -1.331
  192    HD2  HIS  28           2HD      HIS  28   3.300  -0.157  -1.556
  193    HE1  HIS  28           1HE      HIS  28   2.476  -3.700  -3.808
  194    H    LEU  29           H        LEU  29   5.016   0.016   1.692
  195    HA   LEU  29           HA       LEU  29   6.555   0.793  -0.625
  196    HB2  LEU  29           1HB      LEU  29   6.338   1.963   2.151
  197    HB3  LEU  29           2HB      LEU  29   7.212   2.749   0.839
  198    HG   LEU  29           HG       LEU  29   4.327   1.983   0.483
  199   HD11  LEU  29          1HD1      LEU  29   5.604   4.450   1.747
  200   HD12  LEU  29          2HD1      LEU  29   4.556   3.278   2.558
  201   HD13  LEU  29          3HD1      LEU  29   3.870   4.349   1.307
  202   HD21  LEU  29          3HD2      LEU  29   6.077   4.127  -0.785
  203   HD22  LEU  29          1HD2      LEU  29   4.330   3.946  -1.035
  204   HD23  LEU  29          2HD2      LEU  29   5.421   2.673  -1.577
  205    H    ARG  30           H        ARG  30   7.548  -0.645   2.459
  206    HA   ARG  30           HA       ARG  30  10.261   0.091   2.346
  207    HB2  ARG  30           1HB      ARG  30   8.993  -2.493   3.358
  208    HB3  ARG  30           2HB      ARG  30  10.703  -2.134   3.586
  209    HG2  ARG  30           1HG      ARG  30  10.259  -0.226   4.964
  210    HG3  ARG  30           2HG      ARG  30   8.554  -0.233   4.547
  211    HD2  ARG  30           1HD      ARG  30   8.496  -2.623   5.593
  212    HD3  ARG  30           2HD      ARG  30  10.058  -2.178   6.306
  213    HE   ARG  30           HE       ARG  30   7.982  -0.160   6.723
  214   HH11  ARG  30          2HH1      ARG  30   9.121  -3.193   8.088
  215   HH12  ARG  30          1HH1      ARG  30   8.380  -2.858   9.629
  216   HH21  ARG  30          2HH2      ARG  30   7.117   0.194   8.625
  217   HH22  ARG  30          1HH2      ARG  30   7.261  -0.954   9.945
  218    H    LYS  31           H        LYS  31   8.557  -2.090   0.319
  219    HA   LYS  31           HA       LYS  31  10.878  -3.387  -0.943
  220    HB2  LYS  31           1HB      LYS  31   7.927  -3.353  -1.707
  221    HB3  LYS  31           2HB      LYS  31   9.163  -4.398  -2.403
  222    HG2  LYS  31           1HG      LYS  31   9.506  -5.537  -0.279
  223    HG3  LYS  31           2HG      LYS  31   8.389  -4.443   0.556
  224    HD2  LYS  31           1HD      LYS  31   6.523  -5.202  -0.840
  225    HD3  LYS  31           2HD      LYS  31   7.583  -6.328  -1.701
  226    HE2  LYS  31           1HE      LYS  31   7.037  -6.373   1.307
  227    HE3  LYS  31           2HE      LYS  31   6.160  -7.346   0.123
  228    HZ1  LYS  31           3HZ      LYS  31   8.269  -8.416  -0.475
  229    HZ2  LYS  31           1HZ      LYS  31   7.949  -8.626   1.109
  230    HZ3  LYS  31           2HZ      LYS  31   9.078  -7.546   0.650
  231    H    HIS  32           H        HIS  32   9.027  -0.437  -1.440
  232    HA   HIS  32           HA       HIS  32  10.166  -0.010  -4.146
  233    HB2  HIS  32           1HB      HIS  32   8.270   1.601  -2.401
  234    HB3  HIS  32           2HB      HIS  32   8.812   2.088  -4.008
  235    HD1  HIS  32           1HD      HIS  32   8.372  -0.266  -5.829
  236    HD2  HIS  32           2HD      HIS  32   5.840   0.701  -2.618
  237    HE1  HIS  32           1HE      HIS  32   6.176  -1.421  -6.323
  238    H    THR  33           H        THR  33  10.656   1.177  -0.799
  239    HA   THR  33           HA       THR  33  12.369   3.370  -1.625
  240    HB   THR  33           HB       THR  33  12.824   3.629   0.794
  241    HG1  THR  33           1HG      THR  33  11.765   2.305   2.229
  242   HG21  THR  33          3HG2      THR  33  10.848   4.711  -0.216
  243   HG22  THR  33          1HG2      THR  33  10.554   4.240   1.466
  244   HG23  THR  33          2HG2      THR  33   9.866   3.276   0.143
  245    H    GLY  34           H        GLY  34  13.065   0.022  -1.183
  246    HA2  GLY  34           1HA      GLY  34  15.809   0.408  -1.979
  247    HA3  GLY  34           2HA      GLY  34  15.708  -0.046  -0.277
  248    H    GLU  35           H        GLU  35  17.053  -1.622  -2.029
  249    HA   GLU  35           HA       GLU  35  15.623  -4.172  -1.854
  250    HB2  GLU  35           1HB      GLU  35  15.974  -4.811  -4.167
  251    HB3  GLU  35           2HB      GLU  35  14.936  -3.395  -4.081
  252    HG2  GLU  35           1HG      GLU  35  16.792  -1.930  -4.750
  253    HG3  GLU  35           2HG      GLU  35  17.925  -3.283  -4.698
  254    H    LYS  36           H        LYS  36  17.052  -6.002  -2.523
  255    HA   LYS  36           HA       LYS  36  18.836  -7.308  -2.000
  256    HB2  LYS  36           1HB      LYS  36  20.392  -5.111  -3.405
  257    HB3  LYS  36           2HB      LYS  36  20.919  -6.776  -3.133
  258    HG2  LYS  36           1HG      LYS  36  18.928  -7.563  -4.481
  259    HG3  LYS  36           2HG      LYS  36  18.599  -5.866  -4.888
  260    HD2  LYS  36           1HD      LYS  36  20.905  -5.699  -5.886
  261    HD3  LYS  36           2HD      LYS  36  21.168  -7.397  -5.476
  262    HE2  LYS  36           1HE      LYS  36  20.577  -7.516  -7.716
  263    HE3  LYS  36           2HE      LYS  36  19.076  -7.927  -6.883
  264    HZ1  LYS  36           3HZ      LYS  36  18.689  -6.329  -8.663
  265    HZ2  LYS  36           1HZ      LYS  36  19.752  -5.266  -8.033
  266    HZ3  LYS  36           2HZ      LYS  36  18.351  -5.582  -7.254
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1 -27.472  -3.861  -2.425
    2    H2   GLY   1           2H       GLY   1 -28.066  -5.312  -2.902
    3    H3   GLY   1           3H       GLY   1 -26.448  -5.048  -2.893
    4    HA2  GLY   1           1HA      GLY   1 -28.173  -5.126  -0.506
    5    HA3  GLY   1           2HA      GLY   1 -27.079  -6.425  -1.019
    6    H    SER   2           H        SER   2 -27.105  -4.914   1.468
    7    HA   SER   2           HA       SER   2 -25.794  -3.925   2.989
    8    HB2  SER   2           1HB      SER   2 -23.467  -4.632   1.180
    9    HB3  SER   2           2HB      SER   2 -23.371  -4.168   2.884
   10    HG   SER   2           HG       SER   2 -23.375  -6.451   2.597
   11    H    SER   3           H        SER   3 -24.290  -2.159   3.582
   12    HA   SER   3           HA       SER   3 -25.120   0.287   2.341
   13    HB2  SER   3           1HB      SER   3 -22.942  -0.187   4.409
   14    HB3  SER   3           2HB      SER   3 -23.707   1.367   4.023
   15    HG   SER   3           HG       SER   3 -24.657   0.363   5.865
   16    H    GLY   4           H        GLY   4 -23.880   1.953   1.397
   17    HA2  GLY   4           1HA      GLY   4 -21.775   1.196  -0.454
   18    HA3  GLY   4           2HA      GLY   4 -22.380   2.821  -0.145
   19    H    SER   5           H        SER   5 -19.728   2.453  -0.604
   20    HA   SER   5           HA       SER   5 -18.460   3.311   1.925
   21    HB2  SER   5           1HB      SER   5 -18.127   0.872   1.891
   22    HB3  SER   5           2HB      SER   5 -17.413   0.978   0.272
   23    HG   SER   5           HG       SER   5 -15.896   0.926   2.087
   24    H    SER   6           H        SER   6 -16.586   4.526   1.653
   25    HA   SER   6           HA       SER   6 -16.069   5.738  -0.983
   26    HB2  SER   6           1HB      SER   6 -14.507   7.174   0.314
   27    HB3  SER   6           2HB      SER   6 -16.177   7.219   0.901
   28    HG   SER   6           HG       SER   6 -14.654   7.004   2.615
   29    H    GLY   7           H        GLY   7 -14.963   2.975   0.628
   30    HA2  GLY   7           1HA      GLY   7 -13.424   1.407  -0.118
   31    HA3  GLY   7           2HA      GLY   7 -12.842   2.535  -1.334
   32    H    LYS   8           H        LYS   8 -10.860   1.333  -0.553
   33    HA   LYS   8           HA       LYS   8  -9.684   1.868   2.019
   34    HB2  LYS   8           1HB      LYS   8  -8.622   0.739  -0.583
   35    HB3  LYS   8           2HB      LYS   8  -7.607   0.919   0.846
   36    HG2  LYS   8           1HG      LYS   8  -8.932  -0.584   2.145
   37    HG3  LYS   8           2HG      LYS   8 -10.251  -0.578   0.970
   38    HD2  LYS   8           1HD      LYS   8  -8.836  -1.716  -0.692
   39    HD3  LYS   8           2HD      LYS   8  -7.463  -1.672   0.427
   40    HE2  LYS   8           1HE      LYS   8  -8.738  -3.063   2.047
   41    HE3  LYS   8           2HE      LYS   8 -10.103  -3.114   0.925
   42    HZ1  LYS   8           3HZ      LYS   8  -8.678  -4.267  -0.673
   43    HZ2  LYS   8           1HZ      LYS   8  -8.698  -5.097   0.730
   44    HZ3  LYS   8           2HZ      LYS   8  -7.394  -4.197   0.336
   45    HA   PRO   9           HA       PRO   9  -8.186   5.927   0.829
   46    HB2  PRO   9           1HB      PRO   9  -7.213   6.811   3.208
   47    HB3  PRO   9           2HB      PRO   9  -8.951   6.571   2.901
   48    HG2  PRO   9           1HG      PRO   9  -7.031   4.732   4.318
   49    HG3  PRO   9           2HG      PRO   9  -8.676   5.188   4.826
   50    HD2  PRO   9           1HD      PRO   9  -8.066   2.833   3.471
   51    HD3  PRO   9           2HD      PRO   9  -9.639   3.657   3.369
   52    H    TYR  10           H        TYR  10  -5.953   3.684   2.549
   53    HA   TYR  10           HA       TYR  10  -3.645   5.280   1.779
   54    HB2  TYR  10           1HB      TYR  10  -3.737   2.561   3.136
   55    HB3  TYR  10           2HB      TYR  10  -2.360   3.640   3.049
   56    HD1  TYR  10           2HD      TYR  10  -2.571   5.985   4.145
   57    HD2  TYR  10           1HD      TYR  10  -5.322   2.747   4.891
   58    HE1  TYR  10           2HE      TYR  10  -3.350   7.120   6.219
   59    HE2  TYR  10           1HE      TYR  10  -6.062   3.856   6.985
   60    HH   TYR  10           HH       TYR  10  -4.748   7.025   8.037
   61    H    LYS  11           H        LYS  11  -2.803   5.142  -0.254
   62    HA   LYS  11           HA       LYS  11  -2.861   2.532  -1.720
   63    HB2  LYS  11           1HB      LYS  11  -3.394   5.275  -2.912
   64    HB3  LYS  11           2HB      LYS  11  -3.356   3.726  -3.764
   65    HG2  LYS  11           1HG      LYS  11  -5.252   2.964  -2.220
   66    HG3  LYS  11           2HG      LYS  11  -5.378   4.642  -1.680
   67    HD2  LYS  11           1HD      LYS  11  -5.753   5.349  -4.039
   68    HD3  LYS  11           2HD      LYS  11  -5.709   3.645  -4.542
   69    HE2  LYS  11           1HE      LYS  11  -7.623   3.155  -3.029
   70    HE3  LYS  11           2HE      LYS  11  -7.661   4.844  -2.520
   71    HZ1  LYS  11           3HZ      LYS  11  -9.297   4.416  -4.259
   72    HZ2  LYS  11           1HZ      LYS  11  -8.150   3.896  -5.297
   73    HZ3  LYS  11           2HZ      LYS  11  -8.180   5.460  -4.824
   74    H    CYS  12           H        CYS  12  -1.243   2.073  -3.156
   75    HA   CYS  12           HA       CYS  12   1.363   3.128  -2.524
   76    HB2  CYS  12           1HB      CYS  12   0.994   0.793  -2.988
   77    HB3  CYS  12           2HB      CYS  12   0.402   1.170  -4.618
   78    HA   PRO  13           HA       PRO  13   1.429   6.274  -5.786
   79    HB2  PRO  13           1HB      PRO  13   4.045   7.036  -5.637
   80    HB3  PRO  13           2HB      PRO  13   2.850   7.427  -4.364
   81    HG2  PRO  13           1HG      PRO  13   4.846   5.142  -4.413
   82    HG3  PRO  13           2HG      PRO  13   4.523   6.302  -3.084
   83    HD2  PRO  13           1HD      PRO  13   3.388   3.817  -3.194
   84    HD3  PRO  13           2HD      PRO  13   2.508   5.214  -2.509
   85    H    GLN  14           H        GLN  14   3.031   3.215  -5.899
   86    HA   GLN  14           HA       GLN  14   3.805   3.628  -8.772
   87    HB2  GLN  14           1HB      GLN  14   5.062   1.786  -6.709
   88    HB3  GLN  14           2HB      GLN  14   5.475   1.862  -8.428
   89    HG2  GLN  14           1HG      GLN  14   6.091   4.291  -8.119
   90    HG3  GLN  14           2HG      GLN  14   5.822   4.097  -6.386
   91   HE21  GLN  14          1HE2      GLN  14   8.167   4.876  -6.375
   92   HE22  GLN  14          2HE2      GLN  14   9.400   3.634  -6.543
   93    H    CYS  15           H        CYS  15   1.972   1.566  -6.583
   94    HA   CYS  15           HA       CYS  15   1.310  -0.283  -8.852
   95    HB2  CYS  15           1HB      CYS  15   0.882  -0.859  -5.919
   96    HB3  CYS  15           2HB      CYS  15   0.918  -1.996  -7.263
   97    H    SER  16           H        SER  16  -0.848  -1.405  -8.497
   98    HA   SER  16           HA       SER  16  -3.065   0.501  -8.009
   99    HB2  SER  16           1HB      SER  16  -3.097  -2.417  -8.866
  100    HB3  SER  16           2HB      SER  16  -4.515  -1.364  -8.725
  101    HG   SER  16           HG       SER  16  -2.278  -0.948 -10.453
  102    H    TYR  17           H        TYR  17  -1.130  -1.030  -5.941
  103    HA   TYR  17           HA       TYR  17  -2.763  -2.545  -4.175
  104    HB2  TYR  17           1HB      TYR  17  -0.355  -2.722  -4.160
  105    HB3  TYR  17           2HB      TYR  17  -0.175  -1.017  -3.785
  106    HD1  TYR  17           1HD      TYR  17  -0.688  -0.123  -1.505
  107    HD2  TYR  17           2HD      TYR  17  -0.888  -4.344  -2.412
  108    HE1  TYR  17           1HE      TYR  17  -0.735  -0.645   0.918
  109    HE2  TYR  17           2HE      TYR  17  -0.880  -4.856   0.024
  110    HH   TYR  17           HH       TYR  17  -0.814  -3.998   2.140
  111    H    ALA  18           H        ALA  18  -4.050  -2.036  -2.519
  112    HA   ALA  18           HA       ALA  18  -3.910   0.590  -1.237
  113    HB1  ALA  18           1HB      ALA  18  -6.550  -0.544  -2.257
  114    HB2  ALA  18           2HB      ALA  18  -6.315   0.968  -1.348
  115    HB3  ALA  18           3HB      ALA  18  -5.672   0.813  -2.994
  116    H    SER  19           H        SER  19  -4.631   0.608   0.913
  117    HA   SER  19           HA       SER  19  -5.794  -1.850   2.076
  118    HB2  SER  19           1HB      SER  19  -3.291  -2.021   2.344
  119    HB3  SER  19           2HB      SER  19  -3.359  -0.570   3.361
  120    HG   SER  19           HG       SER  19  -4.790  -3.023   3.777
  121    H    ALA  20           H        ALA  20  -6.668  -1.560   4.212
  122    HA   ALA  20           HA       ALA  20  -7.778   1.123   4.751
  123    HB1  ALA  20           1HB      ALA  20  -8.251  -1.576   6.080
  124    HB2  ALA  20           2HB      ALA  20  -9.163  -0.082   6.376
  125    HB3  ALA  20           3HB      ALA  20  -9.244  -0.862   4.786
  126    H    ILE  21           H        ILE  21  -4.901  -0.430   5.518
  127    HA   ILE  21           HA       ILE  21  -4.604   1.011   8.129
  128    HB   ILE  21           HB       ILE  21  -3.419  -1.672   7.336
  129   HG12  ILE  21          1HG1      ILE  21  -5.655  -1.046   9.318
  130   HG13  ILE  21          2HG1      ILE  21  -5.852  -1.857   7.764
  131   HG21  ILE  21          1HG2      ILE  21  -1.967  -0.332   8.868
  132   HG22  ILE  21          2HG2      ILE  21  -3.325  -0.176  10.002
  133   HG23  ILE  21          3HG2      ILE  21  -2.592  -1.757   9.659
  134   HD11  ILE  21          3HD1      ILE  21  -4.355  -3.705   8.566
  135   HD12  ILE  21          1HD1      ILE  21  -4.413  -2.968  10.189
  136   HD13  ILE  21          2HD1      ILE  21  -5.900  -3.544   9.425
  137    H    LYS  22           H        LYS  22  -3.074   2.514   8.140
  138    HA   LYS  22           HA       LYS  22  -1.420   3.147   5.917
  139    HB2  LYS  22           1HB      LYS  22  -2.258   4.680   7.754
  140    HB3  LYS  22           2HB      LYS  22  -1.018   4.012   8.816
  141    HG2  LYS  22           1HG      LYS  22   0.748   4.801   7.249
  142    HG3  LYS  22           2HG      LYS  22  -0.503   5.416   6.150
  143    HD2  LYS  22           1HD      LYS  22  -1.285   6.976   7.921
  144    HD3  LYS  22           2HD      LYS  22  -0.032   6.352   9.018
  145    HE2  LYS  22           1HE      LYS  22   1.724   7.074   7.407
  146    HE3  LYS  22           2HE      LYS  22   0.474   7.702   6.325
  147    HZ1  LYS  22           3HZ      LYS  22  -0.164   9.269   8.085
  148    HZ2  LYS  22           1HZ      LYS  22   1.412   9.462   7.713
  149    HZ3  LYS  22           2HZ      LYS  22   0.991   8.687   9.085
  150    H    ALA  23           H        ALA  23  -0.602   1.377   8.896
  151    HA   ALA  23           HA       ALA  23   2.186   1.086   8.442
  152    HB1  ALA  23           1HB      ALA  23   0.239  -0.773   9.870
  153    HB2  ALA  23           2HB      ALA  23   2.001  -0.742  10.075
  154    HB3  ALA  23           3HB      ALA  23   1.031   0.653  10.588
  155    H    ASN  24           H        ASN  24  -0.552  -0.785   7.115
  156    HA   ASN  24           HA       ASN  24   1.063  -2.938   6.065
  157    HB2  ASN  24           1HB      ASN  24  -1.471  -2.866   6.593
  158    HB3  ASN  24           2HB      ASN  24  -1.657  -2.016   5.060
  159   HD21  ASN  24          1HD2      ASN  24  -3.051  -3.851   4.595
  160   HD22  ASN  24          2HD2      ASN  24  -2.343  -5.379   4.062
  161    H    LEU  25           H        LEU  25  -0.176   0.145   4.689
  162    HA   LEU  25           HA       LEU  25   1.099  -0.123   2.133
  163    HB2  LEU  25           1HB      LEU  25  -0.700   1.485   2.502
  164    HB3  LEU  25           2HB      LEU  25   0.249   2.329   3.727
  165    HG   LEU  25           HG       LEU  25   1.923   2.982   2.017
  166   HD11  LEU  25          1HD1      LEU  25   1.405   2.678  -0.380
  167   HD12  LEU  25          2HD1      LEU  25   0.006   1.661   0.052
  168   HD13  LEU  25          3HD1      LEU  25   1.664   1.127   0.409
  169   HD21  LEU  25          3HD2      LEU  25   0.572   4.613   0.840
  170   HD22  LEU  25          1HD2      LEU  25   0.023   4.465   2.519
  171   HD23  LEU  25          2HD2      LEU  25  -0.900   3.695   1.207
  172    H    ASN  26           H        ASN  26   2.268   1.253   5.268
  173    HA   ASN  26           HA       ASN  26   4.765   2.175   4.304
  174    HB2  ASN  26           1HB      ASN  26   3.751   2.644   6.553
  175    HB3  ASN  26           2HB      ASN  26   4.172   1.003   7.046
  176   HD21  ASN  26          1HD2      ASN  26   5.316   2.276   8.785
  177   HD22  ASN  26          2HD2      ASN  26   6.947   2.815   8.415
  178    H    VAL  27           H        VAL  27   3.984  -1.127   5.592
  179    HA   VAL  27           HA       VAL  27   6.574  -2.247   5.026
  180    HB   VAL  27           HB       VAL  27   3.815  -3.532   5.223
  181   HG11  VAL  27          1HG1      VAL  27   5.028  -5.679   5.619
  182   HG12  VAL  27          2HG1      VAL  27   5.215  -5.097   3.967
  183   HG13  VAL  27          3HG1      VAL  27   6.545  -4.890   5.132
  184   HG21  VAL  27          3HG2      VAL  27   4.690  -2.467   7.309
  185   HG22  VAL  27          1HG2      VAL  27   4.599  -4.226   7.452
  186   HG23  VAL  27          2HG2      VAL  27   6.169  -3.437   7.166
  187    H    HIS  28           H        HIS  28   3.660  -1.937   2.930
  188    HA   HIS  28           HA       HIS  28   4.788  -3.363   0.737
  189    HB2  HIS  28           1HB      HIS  28   2.402  -2.857   0.911
  190    HB3  HIS  28           2HB      HIS  28   2.717  -1.131   0.805
  191    HD1  HIS  28           1HD      HIS  28   2.538  -4.219  -1.438
  192    HD2  HIS  28           2HD      HIS  28   3.346  -0.100  -1.587
  193    HE1  HIS  28           1HE      HIS  28   2.632  -3.625  -3.904
  194    H    LEU  29           H        LEU  29   4.981   0.108   1.603
  195    HA   LEU  29           HA       LEU  29   6.566   0.922  -0.675
  196    HB2  LEU  29           1HB      LEU  29   6.235   2.096   2.090
  197    HB3  LEU  29           2HB      LEU  29   7.148   2.884   0.807
  198    HG   LEU  29           HG       LEU  29   4.277   2.094   0.369
  199   HD11  LEU  29          1HD1      LEU  29   3.779   4.467   1.132
  200   HD12  LEU  29          2HD1      LEU  29   5.502   4.601   1.609
  201   HD13  LEU  29          3HD1      LEU  29   4.446   3.441   2.427
  202   HD21  LEU  29          3HD2      LEU  29   6.073   4.215  -0.884
  203   HD22  LEU  29          1HD2      LEU  29   4.332   4.053  -1.171
  204   HD23  LEU  29          2HD2      LEU  29   5.417   2.759  -1.673
  205    H    ARG  30           H        ARG  30   7.475  -0.425   2.503
  206    HA   ARG  30           HA       ARG  30  10.185   0.282   2.383
  207    HB2  ARG  30           1HB      ARG  30   8.807  -2.128   3.631
  208    HB3  ARG  30           2HB      ARG  30  10.556  -1.934   3.721
  209    HG2  ARG  30           1HG      ARG  30  10.351   0.196   4.864
  210    HG3  ARG  30           2HG      ARG  30   8.611   0.193   4.691
  211    HD2  ARG  30           1HD      ARG  30   9.134  -0.469   6.945
  212    HD3  ARG  30           2HD      ARG  30   8.472  -1.857   6.094
  213    HE   ARG  30           HE       ARG  30  10.500  -2.975   6.269
  214   HH11  ARG  30          2HH1      ARG  30  11.086   0.341   7.254
  215   HH12  ARG  30          1HH1      ARG  30  12.674  -0.031   7.865
  216   HH21  ARG  30          2HH2      ARG  30  12.531  -3.369   7.059
  217   HH22  ARG  30          1HH2      ARG  30  13.463  -2.076   7.754
  218    H    LYS  31           H        LYS  31   8.486  -2.049   0.483
  219    HA   LYS  31           HA       LYS  31  10.830  -3.408  -0.655
  220    HB2  LYS  31           1HB      LYS  31   7.939  -3.358  -1.618
  221    HB3  LYS  31           2HB      LYS  31   9.212  -4.446  -2.164
  222    HG2  LYS  31           1HG      LYS  31   9.385  -5.421   0.108
  223    HG3  LYS  31           2HG      LYS  31   8.097  -4.343   0.678
  224    HD2  LYS  31           1HD      LYS  31   6.515  -5.342  -0.940
  225    HD3  LYS  31           2HD      LYS  31   7.797  -6.435  -1.516
  226    HE2  LYS  31           1HE      LYS  31   8.021  -7.351   0.798
  227    HE3  LYS  31           2HE      LYS  31   6.711  -6.292   1.337
  228    HZ1  LYS  31           3HZ      LYS  31   6.446  -8.432  -0.715
  229    HZ2  LYS  31           1HZ      LYS  31   5.230  -7.457  -0.223
  230    HZ3  LYS  31           2HZ      LYS  31   5.895  -8.523   0.817
  231    H    HIS  32           H        HIS  32   8.928  -0.509  -1.423
  232    HA   HIS  32           HA       HIS  32  10.220  -0.163  -4.049
  233    HB2  HIS  32           1HB      HIS  32   8.371   1.565  -2.371
  234    HB3  HIS  32           2HB      HIS  32   8.999   2.034  -3.953
  235    HD1  HIS  32           1HD      HIS  32   8.489  -0.270  -5.817
  236    HD2  HIS  32           2HD      HIS  32   5.905   0.802  -2.682
  237    HE1  HIS  32           1HE      HIS  32   6.247  -1.280  -6.407
  238    H    THR  33           H        THR  33  10.679   1.117  -0.723
  239    HA   THR  33           HA       THR  33  12.729   3.016  -1.610
  240    HB   THR  33           HB       THR  33  13.001   3.527   0.769
  241    HG1  THR  33           1HG      THR  33  11.679   2.527   2.260
  242   HG21  THR  33          3HG2      THR  33  11.208   4.654  -0.535
  243   HG22  THR  33          1HG2      THR  33  10.794   4.476   1.179
  244   HG23  THR  33          2HG2      THR  33  10.058   3.399  -0.026
  245    H    GLY  34           H        GLY  34  12.779  -0.253  -0.244
  246    HA2  GLY  34           1HA      GLY  34  15.592  -0.375   0.335
  247    HA3  GLY  34           2HA      GLY  34  14.524  -1.746   0.043
  248    H    GLU  35           H        GLU  35  17.301  -1.298  -0.837
  249    HA   GLU  35           HA       GLU  35  17.002  -1.962  -3.690
  250    HB2  GLU  35           1HB      GLU  35  18.625  -0.335  -4.457
  251    HB3  GLU  35           2HB      GLU  35  17.241   0.476  -3.735
  252    HG2  GLU  35           1HG      GLU  35  18.551   0.861  -1.648
  253    HG3  GLU  35           2HG      GLU  35  19.938   0.043  -2.371
  254    H    LYS  36           H        LYS  36  19.017  -2.732  -4.670
  255    HA   LYS  36           HA       LYS  36  21.091  -3.804  -2.828
  256    HB2  LYS  36           1HB      LYS  36  19.503  -5.450  -4.845
  257    HB3  LYS  36           2HB      LYS  36  21.018  -5.965  -4.096
  258    HG2  LYS  36           1HG      LYS  36  19.967  -5.785  -1.842
  259    HG3  LYS  36           2HG      LYS  36  18.426  -5.353  -2.613
  260    HD2  LYS  36           1HD      LYS  36  18.392  -7.533  -3.796
  261    HD3  LYS  36           2HD      LYS  36  19.967  -7.938  -3.107
  262    HE2  LYS  36           1HE      LYS  36  18.326  -9.105  -1.831
  263    HE3  LYS  36           2HE      LYS  36  18.994  -7.827  -0.814
  264    HZ1  LYS  36           3HZ      LYS  36  16.565  -7.952  -0.660
  265    HZ2  LYS  36           1HZ      LYS  36  16.396  -7.674  -2.258
  266    HZ3  LYS  36           2HZ      LYS  36  16.995  -6.508  -1.279
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1 -11.819 -11.332 -10.554
    2    H2   GLY   1           2H       GLY   1 -11.063 -12.570  -9.791
    3    H3   GLY   1           3H       GLY   1 -10.694 -11.024  -9.401
    4    HA2  GLY   1           1HA      GLY   1 -12.910 -10.647  -8.531
    5    HA3  GLY   1           2HA      GLY   1 -13.296 -12.329  -8.938
    6    H    SER   2           H        SER   2 -13.815 -12.644  -6.700
    7    HA   SER   2           HA       SER   2 -13.491 -13.219  -4.541
    8    HB2  SER   2           1HB      SER   2 -10.871 -14.350  -5.561
    9    HB3  SER   2           2HB      SER   2 -11.725 -14.822  -4.080
   10    HG   SER   2           HG       SER   2 -12.186 -16.234  -5.835
   11    H    SER   3           H        SER   3 -12.842 -10.538  -4.946
   12    HA   SER   3           HA       SER   3 -10.942 -10.000  -2.725
   13    HB2  SER   3           1HB      SER   3  -9.932  -8.162  -4.019
   14    HB3  SER   3           2HB      SER   3  -9.641  -9.745  -4.755
   15    HG   SER   3           HG       SER   3 -10.275  -8.160  -6.300
   16    H    GLY   4           H        GLY   4 -11.159  -7.901  -1.753
   17    HA2  GLY   4           1HA      GLY   4 -13.916  -7.125  -1.342
   18    HA3  GLY   4           2HA      GLY   4 -12.497  -6.394  -0.602
   19    H    SER   5           H        SER   5 -14.969  -5.232  -1.805
   20    HA   SER   5           HA       SER   5 -13.914  -3.560  -4.026
   21    HB2  SER   5           1HB      SER   5 -16.297  -3.109  -4.479
   22    HB3  SER   5           2HB      SER   5 -15.904  -4.834  -4.514
   23    HG   SER   5           HG       SER   5 -17.832  -4.396  -3.324
   24    H    SER   6           H        SER   6 -13.948  -3.197  -0.783
   25    HA   SER   6           HA       SER   6 -15.291  -0.709  -0.363
   26    HB2  SER   6           1HB      SER   6 -14.719  -2.384   1.396
   27    HB3  SER   6           2HB      SER   6 -13.019  -1.881   1.275
   28    HG   SER   6           HG       SER   6 -14.221  -0.783   2.944
   29    H    GLY   7           H        GLY   7 -14.476   1.358   0.076
   30    HA2  GLY   7           1HA      GLY   7 -12.476   2.345  -1.790
   31    HA3  GLY   7           2HA      GLY   7 -13.456   3.294  -0.674
   32    H    LYS   8           H        LYS   8 -10.820   0.885  -0.529
   33    HA   LYS   8           HA       LYS   8  -9.658   1.592   1.937
   34    HB2  LYS   8           1HB      LYS   8  -8.559   0.293  -0.569
   35    HB3  LYS   8           2HB      LYS   8  -7.567   0.510   0.869
   36    HG2  LYS   8           1HG      LYS   8  -9.014  -0.839   2.226
   37    HG3  LYS   8           2HG      LYS   8 -10.270  -0.884   0.980
   38    HD2  LYS   8           1HD      LYS   8  -8.794  -2.173  -0.514
   39    HD3  LYS   8           2HD      LYS   8  -7.487  -2.091   0.681
   40    HE2  LYS   8           1HE      LYS   8  -8.912  -3.313   2.317
   41    HE3  LYS   8           2HE      LYS   8 -10.201  -3.413   1.112
   42    HZ1  LYS   8           3HZ      LYS   8  -8.699  -4.720  -0.296
   43    HZ2  LYS   8           1HZ      LYS   8  -8.857  -5.445   1.159
   44    HZ3  LYS   8           2HZ      LYS   8  -7.496  -4.617   0.805
   45    HA   PRO   9           HA       PRO   9  -8.117   5.577   0.660
   46    HB2  PRO   9           1HB      PRO   9  -7.254   6.576   3.044
   47    HB3  PRO   9           2HB      PRO   9  -8.977   6.296   2.673
   48    HG2  PRO   9           1HG      PRO   9  -7.078   4.518   4.203
   49    HG3  PRO   9           2HG      PRO   9  -8.725   4.997   4.677
   50    HD2  PRO   9           1HD      PRO   9  -8.168   2.599   3.448
   51    HD3  PRO   9           2HD      PRO   9  -9.689   3.481   3.180
   52    H    TYR  10           H        TYR  10  -5.895   3.426   2.495
   53    HA   TYR  10           HA       TYR  10  -3.609   5.102   1.831
   54    HB2  TYR  10           1HB      TYR  10  -3.702   2.395   3.196
   55    HB3  TYR  10           2HB      TYR  10  -2.321   3.480   3.113
   56    HD1  TYR  10           2HD      TYR  10  -2.476   5.777   4.242
   57    HD2  TYR  10           1HD      TYR  10  -5.408   2.672   4.835
   58    HE1  TYR  10           2HE      TYR  10  -3.295   6.935   6.289
   59    HE2  TYR  10           1HE      TYR  10  -6.197   3.801   6.894
   60    HH   TYR  10           HH       TYR  10  -4.776   6.893   8.042
   61    H    LYS  11           H        LYS  11  -3.190   5.099  -0.330
   62    HA   LYS  11           HA       LYS  11  -2.946   2.500  -1.788
   63    HB2  LYS  11           1HB      LYS  11  -3.502   5.248  -2.945
   64    HB3  LYS  11           2HB      LYS  11  -3.424   3.713  -3.819
   65    HG2  LYS  11           1HG      LYS  11  -5.322   2.895  -2.301
   66    HG3  LYS  11           2HG      LYS  11  -5.493   4.566  -1.754
   67    HD2  LYS  11           1HD      LYS  11  -5.867   5.283  -4.106
   68    HD3  LYS  11           2HD      LYS  11  -5.752   3.588  -4.630
   69    HE2  LYS  11           1HE      LYS  11  -7.668   3.006  -3.155
   70    HE3  LYS  11           2HE      LYS  11  -7.781   4.687  -2.627
   71    HZ1  LYS  11           3HZ      LYS  11  -8.181   3.756  -5.424
   72    HZ2  LYS  11           1HZ      LYS  11  -8.283   5.311  -4.933
   73    HZ3  LYS  11           2HZ      LYS  11  -9.368   4.215  -4.403
   74    H    CYS  12           H        CYS  12  -1.286   2.048  -3.140
   75    HA   CYS  12           HA       CYS  12   1.293   3.130  -2.483
   76    HB2  CYS  12           1HB      CYS  12   0.961   0.799  -3.018
   77    HB3  CYS  12           2HB      CYS  12   0.388   1.217  -4.638
   78    HA   PRO  13           HA       PRO  13   1.312   6.391  -5.616
   79    HB2  PRO  13           1HB      PRO  13   3.915   7.192  -5.451
   80    HB3  PRO  13           2HB      PRO  13   2.719   7.516  -4.161
   81    HG2  PRO  13           1HG      PRO  13   4.744   5.260  -4.296
   82    HG3  PRO  13           2HG      PRO  13   4.417   6.372  -2.927
   83    HD2  PRO  13           1HD      PRO  13   3.308   3.882  -3.098
   84    HD3  PRO  13           2HD      PRO  13   2.403   5.247  -2.387
   85    H    GLN  14           H        GLN  14   2.948   3.362  -5.855
   86    HA   GLN  14           HA       GLN  14   3.628   3.884  -8.733
   87    HB2  GLN  14           1HB      GLN  14   5.036   2.024  -6.785
   88    HB3  GLN  14           2HB      GLN  14   5.379   2.186  -8.513
   89    HG2  GLN  14           1HG      GLN  14   5.794   4.690  -8.051
   90    HG3  GLN  14           2HG      GLN  14   5.814   4.260  -6.336
   91   HE21  GLN  14          1HE2      GLN  14   7.384   2.222  -5.879
   92   HE22  GLN  14          2HE2      GLN  14   8.920   2.338  -6.720
   93    H    CYS  15           H        CYS  15   1.983   1.671  -6.532
   94    HA   CYS  15           HA       CYS  15   1.299  -0.118  -8.843
   95    HB2  CYS  15           1HB      CYS  15   0.859  -0.752  -5.926
   96    HB3  CYS  15           2HB      CYS  15   0.895  -1.859  -7.294
   97    H    SER  16           H        SER  16  -0.855  -1.251  -8.553
   98    HA   SER  16           HA       SER  16  -3.103   0.592  -8.089
   99    HB2  SER  16           1HB      SER  16  -4.459  -1.371  -8.796
  100    HB3  SER  16           2HB      SER  16  -3.221  -0.912  -9.976
  101    HG   SER  16           HG       SER  16  -3.273  -3.186  -9.605
  102    H    TYR  17           H        TYR  17  -1.147  -1.009  -6.010
  103    HA   TYR  17           HA       TYR  17  -2.791  -2.505  -4.266
  104    HB2  TYR  17           1HB      TYR  17  -0.367  -2.671  -4.293
  105    HB3  TYR  17           2HB      TYR  17  -0.204  -0.991  -3.821
  106    HD1  TYR  17           2HD      TYR  17  -1.018  -4.391  -2.652
  107    HD2  TYR  17           1HD      TYR  17  -0.602  -0.247  -1.498
  108    HE1  TYR  17           2HE      TYR  17  -0.947  -5.053  -0.247
  109    HE2  TYR  17           1HE      TYR  17  -0.536  -0.910   0.880
  110    HH   TYR  17           HH       TYR  17  -0.478  -2.660   2.363
  111    H    ALA  18           H        ALA  18  -4.042  -2.036  -2.568
  112    HA   ALA  18           HA       ALA  18  -3.965   0.601  -1.284
  113    HB1  ALA  18           1HB      ALA  18  -6.560  -0.625  -2.307
  114    HB2  ALA  18           2HB      ALA  18  -6.374   0.908  -1.419
  115    HB3  ALA  18           3HB      ALA  18  -5.716   0.746  -3.059
  116    H    SER  19           H        SER  19  -4.555   0.580   0.880
  117    HA   SER  19           HA       SER  19  -5.671  -1.906   2.065
  118    HB2  SER  19           1HB      SER  19  -3.110  -1.874   2.220
  119    HB3  SER  19           2HB      SER  19  -3.312  -0.542   3.374
  120    HG   SER  19           HG       SER  19  -4.302  -3.216   3.506
  121    H    ALA  20           H        ALA  20  -6.381  -1.640   4.290
  122    HA   ALA  20           HA       ALA  20  -7.779   0.933   4.722
  123    HB1  ALA  20           1HB      ALA  20  -9.108  -0.365   6.320
  124    HB2  ALA  20           2HB      ALA  20  -9.048  -1.185   4.750
  125    HB3  ALA  20           3HB      ALA  20  -8.043  -1.770   6.099
  126    H    ILE  21           H        ILE  21  -4.805  -0.270   5.618
  127    HA   ILE  21           HA       ILE  21  -4.700   1.310   8.157
  128    HB   ILE  21           HB       ILE  21  -3.522  -1.433   7.606
  129   HG12  ILE  21          1HG1      ILE  21  -5.622  -0.556   9.638
  130   HG13  ILE  21          2HG1      ILE  21  -5.933  -1.485   8.172
  131   HG21  ILE  21          1HG2      ILE  21  -1.917  -0.116   8.896
  132   HG22  ILE  21          2HG2      ILE  21  -3.180   0.322  10.075
  133   HG23  ILE  21          3HG2      ILE  21  -2.605  -1.352   9.904
  134   HD11  ILE  21          3HD1      ILE  21  -5.944  -3.037   9.953
  135   HD12  ILE  21          1HD1      ILE  21  -4.436  -3.308   9.056
  136   HD13  ILE  21          2HD1      ILE  21  -4.418  -2.441  10.613
  137    H    LYS  22           H        LYS  22  -3.042   2.721   8.270
  138    HA   LYS  22           HA       LYS  22  -1.432   3.349   6.015
  139    HB2  LYS  22           1HB      LYS  22  -2.157   4.862   7.924
  140    HB3  LYS  22           2HB      LYS  22  -0.896   4.130   8.915
  141    HG2  LYS  22           1HG      LYS  22   0.828   4.906   7.305
  142    HG3  LYS  22           2HG      LYS  22  -0.442   5.571   6.258
  143    HD2  LYS  22           1HD      LYS  22  -1.124   7.121   8.077
  144    HD3  LYS  22           2HD      LYS  22   0.150   6.453   9.121
  145    HE2  LYS  22           1HE      LYS  22   1.867   7.158   7.464
  146    HE3  LYS  22           2HE      LYS  22   0.598   7.825   6.429
  147    HZ1  LYS  22           3HZ      LYS  22   1.221   8.769   9.180
  148    HZ2  LYS  22           1HZ      LYS  22   0.049   9.386   8.224
  149    HZ3  LYS  22           2HZ      LYS  22   1.616   9.550   7.804
  150    H    ALA  23           H        ALA  23  -0.584   1.485   8.924
  151    HA   ALA  23           HA       ALA  23   2.172   1.137   8.353
  152    HB1  ALA  23           1HB      ALA  23   1.136   0.767  10.548
  153    HB2  ALA  23           2HB      ALA  23   0.277  -0.661   9.907
  154    HB3  ALA  23           3HB      ALA  23   2.052  -0.654  10.009
  155    H    ASN  24           H        ASN  24  -0.646  -0.691   7.109
  156    HA   ASN  24           HA       ASN  24   0.890  -2.856   5.953
  157    HB2  ASN  24           1HB      ASN  24  -1.841  -1.676   5.283
  158    HB3  ASN  24           2HB      ASN  24  -1.175  -3.098   4.508
  159   HD21  ASN  24          1HD2      ASN  24  -3.533  -3.394   5.600
  160   HD22  ASN  24          2HD2      ASN  24  -3.411  -4.383   7.060
  161    H    LEU  25           H        LEU  25  -0.131   0.362   4.703
  162    HA   LEU  25           HA       LEU  25   1.136   0.021   2.133
  163    HB2  LEU  25           1HB      LEU  25  -0.661   1.632   2.465
  164    HB3  LEU  25           2HB      LEU  25   0.283   2.498   3.681
  165    HG   LEU  25           HG       LEU  25   1.960   3.127   1.974
  166   HD11  LEU  25          1HD1      LEU  25   0.090   1.720   0.017
  167   HD12  LEU  25          2HD1      LEU  25   1.753   1.231   0.411
  168   HD13  LEU  25          3HD1      LEU  25   1.477   2.754  -0.417
  169   HD21  LEU  25          3HD2      LEU  25   0.031   4.597   2.419
  170   HD22  LEU  25          1HD2      LEU  25  -0.868   3.782   1.119
  171   HD23  LEU  25          2HD2      LEU  25   0.593   4.713   0.743
  172    H    ASN  26           H        ASN  26   2.246   1.408   5.257
  173    HA   ASN  26           HA       ASN  26   4.801   2.289   4.438
  174    HB2  ASN  26           1HB      ASN  26   3.641   2.691   6.616
  175    HB3  ASN  26           2HB      ASN  26   4.010   1.036   7.091
  176   HD21  ASN  26          1HD2      ASN  26   4.821   3.754   8.188
  177   HD22  ASN  26          2HD2      ASN  26   6.566   3.614   8.316
  178    H    VAL  27           H        VAL  27   3.909  -1.026   5.614
  179    HA   VAL  27           HA       VAL  27   6.471  -2.207   5.091
  180    HB   VAL  27           HB       VAL  27   3.690  -3.408   5.235
  181   HG11  VAL  27          1HG1      VAL  27   5.037  -4.994   3.947
  182   HG12  VAL  27          2HG1      VAL  27   6.373  -4.855   5.116
  183   HG13  VAL  27          3HG1      VAL  27   4.830  -5.603   5.587
  184   HG21  VAL  27          3HG2      VAL  27   4.607  -2.408   7.340
  185   HG22  VAL  27          1HG2      VAL  27   4.447  -4.163   7.455
  186   HG23  VAL  27          2HG2      VAL  27   6.045  -3.432   7.181
  187    H    HIS  28           H        HIS  28   3.610  -1.838   2.932
  188    HA   HIS  28           HA       HIS  28   4.738  -3.290   0.763
  189    HB2  HIS  28           1HB      HIS  28   2.368  -2.714   0.917
  190    HB3  HIS  28           2HB      HIS  28   2.735  -0.999   0.797
  191    HD1  HIS  28           1HD      HIS  28   2.506  -4.114  -1.416
  192    HD2  HIS  28           2HD      HIS  28   3.357  -0.005  -1.606
  193    HE1  HIS  28           1HE      HIS  28   2.602  -3.543  -3.889
  194    H    LEU  29           H        LEU  29   5.034   0.175   1.619
  195    HA   LEU  29           HA       LEU  29   6.642   0.928  -0.667
  196    HB2  LEU  29           1HB      LEU  29   6.354   2.115   2.088
  197    HB3  LEU  29           2HB      LEU  29   7.256   2.892   0.793
  198    HG   LEU  29           HG       LEU  29   4.356   2.164   0.416
  199   HD11  LEU  29          1HD1      LEU  29   4.586   3.474   2.487
  200   HD12  LEU  29          2HD1      LEU  29   3.926   4.538   1.220
  201   HD13  LEU  29          3HD1      LEU  29   5.657   4.625   1.675
  202   HD21  LEU  29          3HD2      LEU  29   6.181   4.255  -0.846
  203   HD22  LEU  29          1HD2      LEU  29   4.432   4.117  -1.129
  204   HD23  LEU  29          2HD2      LEU  29   5.503   2.815  -1.634
  205    H    ARG  30           H        ARG  30   7.506  -0.467   2.502
  206    HA   ARG  30           HA       ARG  30  10.249   0.194   2.391
  207    HB2  ARG  30           1HB      ARG  30   8.864  -2.236   3.604
  208    HB3  ARG  30           2HB      ARG  30  10.597  -1.970   3.776
  209    HG2  ARG  30           1HG      ARG  30  10.291   0.082   4.990
  210    HG3  ARG  30           2HG      ARG  30   8.570   0.108   4.642
  211    HD2  ARG  30           1HD      ARG  30   8.488  -2.201   5.875
  212    HD3  ARG  30           2HD      ARG  30  10.090  -1.746   6.487
  213    HE   ARG  30           HE       ARG  30   8.040   0.331   6.809
  214   HH11  ARG  30          2HH1      ARG  30   9.293  -2.539   8.407
  215   HH12  ARG  30          1HH1      ARG  30   8.651  -2.046   9.950
  216   HH21  ARG  30          2HH2      ARG  30   7.304   0.886   8.729
  217   HH22  ARG  30          1HH2      ARG  30   7.542  -0.123  10.140
  218    H    LYS  31           H        LYS  31   8.470  -2.094   0.509
  219    HA   LYS  31           HA       LYS  31  10.765  -3.526  -0.642
  220    HB2  LYS  31           1HB      LYS  31   7.898  -3.283  -1.647
  221    HB3  LYS  31           2HB      LYS  31   9.120  -4.410  -2.228
  222    HG2  LYS  31           1HG      LYS  31   9.206  -5.534  -0.054
  223    HG3  LYS  31           2HG      LYS  31   8.052  -4.379   0.637
  224    HD2  LYS  31           1HD      LYS  31   6.327  -5.083  -0.965
  225    HD3  LYS  31           2HD      LYS  31   7.430  -6.274  -1.671
  226    HE2  LYS  31           1HE      LYS  31   6.529  -6.224   1.251
  227    HE3  LYS  31           2HE      LYS  31   5.756  -7.187  -0.011
  228    HZ1  LYS  31           3HZ      LYS  31   7.355  -8.518   1.204
  229    HZ2  LYS  31           1HZ      LYS  31   8.579  -7.497   0.863
  230    HZ3  LYS  31           2HZ      LYS  31   7.870  -8.358  -0.333
  231    H    HIS  32           H        HIS  32   8.800  -0.646  -1.504
  232    HA   HIS  32           HA       HIS  32  10.160  -0.234  -4.029
  233    HB2  HIS  32           1HB      HIS  32   8.394   1.533  -2.316
  234    HB3  HIS  32           2HB      HIS  32   9.030   2.008  -3.892
  235    HD1  HIS  32           1HD      HIS  32   8.567  -0.608  -5.574
  236    HD2  HIS  32           2HD      HIS  32   5.876   1.011  -2.760
  237    HE1  HIS  32           1HE      HIS  32   6.268  -1.441  -6.252
  238    H    THR  33           H        THR  33  10.805   0.983  -0.720
  239    HA   THR  33           HA       THR  33  13.092   2.572  -1.655
  240    HB   THR  33           HB       THR  33  13.702   2.744   0.713
  241    HG1  THR  33           1HG      THR  33  12.389   1.831   2.254
  242   HG21  THR  33          3HG2      THR  33  10.723   3.237   0.270
  243   HG22  THR  33          1HG2      THR  33  12.032   4.316  -0.262
  244   HG23  THR  33          2HG2      THR  33  11.771   4.028   1.467
  245    H    GLY  34           H        GLY  34  12.632  -0.765  -0.582
  246    HA2  GLY  34           1HA      GLY  34  15.436  -1.395  -0.317
  247    HA3  GLY  34           2HA      GLY  34  14.073  -2.508  -0.283
  248    H    GLU  35           H        GLU  35  13.292  -1.532  -3.138
  249    HA   GLU  35           HA       GLU  35  14.770  -3.595  -4.486
  250    HB2  GLU  35           1HB      GLU  35  13.326  -3.248  -6.344
  251    HB3  GLU  35           2HB      GLU  35  12.389  -3.230  -4.861
  252    HG2  GLU  35           1HG      GLU  35  12.251  -0.770  -4.949
  253    HG3  GLU  35           2HG      GLU  35  13.257  -0.734  -6.394
  254    H    LYS  36           H        LYS  36  15.924  -0.649  -3.918
  255    HA   LYS  36           HA       LYS  36  17.705  -0.637  -6.301
  256    HB2  LYS  36           1HB      LYS  36  17.615   1.764  -6.481
  257    HB3  LYS  36           2HB      LYS  36  16.018   1.060  -6.731
  258    HG2  LYS  36           1HG      LYS  36  15.373   1.681  -4.402
  259    HG3  LYS  36           2HG      LYS  36  16.963   2.414  -4.155
  260    HD2  LYS  36           1HD      LYS  36  14.927   3.293  -6.247
  261    HD3  LYS  36           2HD      LYS  36  15.177   4.060  -4.672
  262    HE2  LYS  36           1HE      LYS  36  17.543   4.552  -5.290
  263    HE3  LYS  36           2HE      LYS  36  17.272   3.832  -6.882
  264    HZ1  LYS  36           3HZ      LYS  36  15.842   6.214  -5.829
  265    HZ2  LYS  36           1HZ      LYS  36  15.589   5.544  -7.299
  266    HZ3  LYS  36           2HZ      LYS  36  17.023   6.240  -6.954
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1 -15.368  -1.889  -1.670
    2    H2   GLY   1           2H       GLY   1 -16.695  -0.949  -1.462
    3    H3   GLY   1           3H       GLY   1 -15.203  -0.291  -1.318
    4    HA2  GLY   1           1HA      GLY   1 -14.756  -0.742  -3.670
    5    HA3  GLY   1           2HA      GLY   1 -16.415  -1.360  -3.788
    6    H    SER   2           H        SER   2 -17.035   0.206  -5.320
    7    HA   SER   2           HA       SER   2 -16.793   3.078  -4.652
    8    HB2  SER   2           1HB      SER   2 -17.444   3.389  -7.012
    9    HB3  SER   2           2HB      SER   2 -16.019   2.352  -6.819
   10    HG   SER   2           HG       SER   2 -17.545   1.478  -8.314
   11    H    SER   3           H        SER   3 -19.285   0.654  -4.649
   12    HA   SER   3           HA       SER   3 -21.397   2.722  -4.174
   13    HB2  SER   3           1HB      SER   3 -21.689   0.213  -5.873
   14    HB3  SER   3           2HB      SER   3 -22.998   1.310  -5.406
   15    HG   SER   3           HG       SER   3 -20.724   1.921  -7.016
   16    H    GLY   4           H        GLY   4 -22.811   2.290  -2.553
   17    HA2  GLY   4           1HA      GLY   4 -23.740   1.329  -0.691
   18    HA3  GLY   4           2HA      GLY   4 -23.412  -0.248  -1.411
   19    H    SER   5           H        SER   5 -20.531   1.511  -1.016
   20    HA   SER   5           HA       SER   5 -19.792   0.605   1.668
   21    HB2  SER   5           1HB      SER   5 -18.041  -0.939   0.838
   22    HB3  SER   5           2HB      SER   5 -19.664  -1.507   0.436
   23    HG   SER   5           HG       SER   5 -19.397  -0.773  -1.667
   24    H    SER   6           H        SER   6 -17.415   1.021   2.066
   25    HA   SER   6           HA       SER   6 -16.576   3.576   0.842
   26    HB2  SER   6           1HB      SER   6 -14.972   3.634   2.734
   27    HB3  SER   6           2HB      SER   6 -16.669   3.544   3.229
   28    HG   SER   6           HG       SER   6 -15.342   2.091   4.419
   29    H    GLY   7           H        GLY   7 -14.385   3.975   0.245
   30    HA2  GLY   7           1HA      GLY   7 -12.974   1.711  -1.073
   31    HA3  GLY   7           2HA      GLY   7 -12.681   3.426  -1.330
   32    H    LYS   8           H        LYS   8 -10.667   1.498  -0.841
   33    HA   LYS   8           HA       LYS   8  -9.659   1.802   1.901
   34    HB2  LYS   8           1HB      LYS   8  -8.587   0.530  -0.627
   35    HB3  LYS   8           2HB      LYS   8  -7.592   0.708   0.815
   36    HG2  LYS   8           1HG      LYS   8  -9.076  -0.623   2.156
   37    HG3  LYS   8           2HG      LYS   8 -10.318  -0.637   0.896
   38    HD2  LYS   8           1HD      LYS   8  -8.835  -1.936  -0.593
   39    HD3  LYS   8           2HD      LYS   8  -7.556  -1.901   0.635
   40    HE2  LYS   8           1HE      LYS   8  -9.033  -3.117   2.217
   41    HE3  LYS   8           2HE      LYS   8 -10.318  -3.144   1.004
   42    HZ1  LYS   8           3HZ      LYS   8  -7.661  -4.445   0.682
   43    HZ2  LYS   8           1HZ      LYS   8  -8.866  -4.481  -0.422
   44    HZ3  LYS   8           2HZ      LYS   8  -9.055  -5.224   1.016
   45    HA   PRO   9           HA       PRO   9  -8.031   5.784   0.709
   46    HB2  PRO   9           1HB      PRO   9  -7.138   6.711   3.110
   47    HB3  PRO   9           2HB      PRO   9  -8.867   6.489   2.734
   48    HG2  PRO   9           1HG      PRO   9  -7.028   4.631   4.237
   49    HG3  PRO   9           2HG      PRO   9  -8.666   5.146   4.709
   50    HD2  PRO   9           1HD      PRO   9  -8.149   2.753   3.434
   51    HD3  PRO   9           2HD      PRO   9  -9.655   3.667   3.198
   52    H    TYR  10           H        TYR  10  -5.874   3.537   2.508
   53    HA   TYR  10           HA       TYR  10  -3.537   5.146   1.855
   54    HB2  TYR  10           1HB      TYR  10  -3.715   2.429   3.198
   55    HB3  TYR  10           2HB      TYR  10  -2.303   3.471   3.134
   56    HD1  TYR  10           2HD      TYR  10  -2.408   5.776   4.269
   57    HD2  TYR  10           1HD      TYR  10  -5.400   2.725   4.848
   58    HE1  TYR  10           2HE      TYR  10  -3.202   6.938   6.322
   59    HE2  TYR  10           1HE      TYR  10  -6.163   3.857   6.916
   60    HH   TYR  10           HH       TYR  10  -4.682   6.916   8.077
   61    H    LYS  11           H        LYS  11  -3.056   5.135  -0.300
   62    HA   LYS  11           HA       LYS  11  -2.894   2.525  -1.759
   63    HB2  LYS  11           1HB      LYS  11  -3.402   5.280  -2.926
   64    HB3  LYS  11           2HB      LYS  11  -3.352   3.739  -3.794
   65    HG2  LYS  11           1HG      LYS  11  -5.269   2.964  -2.278
   66    HG3  LYS  11           2HG      LYS  11  -5.408   4.641  -1.737
   67    HD2  LYS  11           1HD      LYS  11  -5.750   5.355  -4.097
   68    HD3  LYS  11           2HD      LYS  11  -5.677   3.655  -4.610
   69    HE2  LYS  11           1HE      LYS  11  -7.617   3.133  -3.146
   70    HE3  LYS  11           2HE      LYS  11  -7.686   4.818  -2.626
   71    HZ1  LYS  11           3HZ      LYS  11  -9.274   4.384  -4.410
   72    HZ2  LYS  11           1HZ      LYS  11  -8.094   3.886  -5.422
   73    HZ3  LYS  11           2HZ      LYS  11  -8.155   5.447  -4.938
   74    H    CYS  12           H        CYS  12  -1.255   2.055  -3.138
   75    HA   CYS  12           HA       CYS  12   1.349   3.100  -2.489
   76    HB2  CYS  12           1HB      CYS  12   0.954   0.769  -2.965
   77    HB3  CYS  12           2HB      CYS  12   0.396   1.161  -4.601
   78    HA   PRO  13           HA       PRO  13   1.437   6.230  -5.788
   79    HB2  PRO  13           1HB      PRO  13   4.057   6.987  -5.628
   80    HB3  PRO  13           2HB      PRO  13   2.843   7.421  -4.392
   81    HG2  PRO  13           1HG      PRO  13   4.858   5.173  -4.300
   82    HG3  PRO  13           2HG      PRO  13   4.451   6.353  -3.019
   83    HD2  PRO  13           1HD      PRO  13   3.381   3.821  -3.145
   84    HD3  PRO  13           2HD      PRO  13   2.478   5.204  -2.463
   85    H    GLN  14           H        GLN  14   3.078   3.189  -5.776
   86    HA   GLN  14           HA       GLN  14   4.064   3.540  -8.582
   87    HB2  GLN  14           1HB      GLN  14   4.855   1.363  -6.647
   88    HB3  GLN  14           2HB      GLN  14   5.640   1.804  -8.149
   89    HG2  GLN  14           1HG      GLN  14   5.592   3.460  -5.584
   90    HG3  GLN  14           2HG      GLN  14   6.920   2.470  -6.149
   91   HE21  GLN  14          1HE2      GLN  14   7.602   4.981  -5.581
   92   HE22  GLN  14          2HE2      GLN  14   7.829   5.913  -7.056
   93    H    CYS  15           H        CYS  15   1.980   1.557  -6.545
   94    HA   CYS  15           HA       CYS  15   1.303  -0.225  -8.860
   95    HB2  CYS  15           1HB      CYS  15   0.853  -0.873  -5.945
   96    HB3  CYS  15           2HB      CYS  15   0.909  -1.976  -7.317
   97    H    SER  16           H        SER  16  -0.866  -1.317  -8.594
   98    HA   SER  16           HA       SER  16  -3.080   0.539  -8.057
   99    HB2  SER  16           1HB      SER  16  -3.128  -2.414  -8.779
  100    HB3  SER  16           2HB      SER  16  -4.509  -1.301  -8.788
  101    HG   SER  16           HG       SER  16  -3.593  -1.576 -10.882
  102    H    TYR  17           H        TYR  17  -1.146  -1.021  -5.958
  103    HA   TYR  17           HA       TYR  17  -2.817  -2.515  -4.214
  104    HB2  TYR  17           1HB      TYR  17  -0.405  -2.730  -4.205
  105    HB3  TYR  17           2HB      TYR  17  -0.204  -1.040  -3.783
  106    HD1  TYR  17           1HD      TYR  17  -0.646  -0.211  -1.473
  107    HD2  TYR  17           2HD      TYR  17  -1.035  -4.389  -2.513
  108    HE1  TYR  17           1HE      TYR  17  -0.658  -0.809   0.930
  109    HE2  TYR  17           2HE      TYR  17  -1.023  -4.981  -0.096
  110    HH   TYR  17           HH       TYR  17  -0.897  -4.210   2.044
  111    H    ALA  18           H        ALA  18  -4.080  -2.011  -2.542
  112    HA   ALA  18           HA       ALA  18  -3.953   0.623  -1.262
  113    HB1  ALA  18           1HB      ALA  18  -6.577  -0.536  -2.294
  114    HB2  ALA  18           2HB      ALA  18  -6.352   0.993  -1.407
  115    HB3  ALA  18           3HB      ALA  18  -5.696   0.813  -3.045
  116    H    SER  19           H        SER  19  -4.602   0.625   0.893
  117    HA   SER  19           HA       SER  19  -5.740  -1.849   2.083
  118    HB2  SER  19           1HB      SER  19  -3.186  -1.848   2.273
  119    HB3  SER  19           2HB      SER  19  -3.372  -0.478   3.383
  120    HG   SER  19           HG       SER  19  -4.424  -3.125   3.602
  121    H    ALA  20           H        ALA  20  -6.522  -1.561   4.266
  122    HA   ALA  20           HA       ALA  20  -7.821   1.061   4.708
  123    HB1  ALA  20           1HB      ALA  20  -8.189  -1.635   6.072
  124    HB2  ALA  20           2HB      ALA  20  -9.199  -0.192   6.301
  125    HB3  ALA  20           3HB      ALA  20  -9.171  -1.006   4.727
  126    H    ILE  21           H        ILE  21  -4.888  -0.244   5.575
  127    HA   ILE  21           HA       ILE  21  -4.729   1.277   8.148
  128    HB   ILE  21           HB       ILE  21  -3.590  -1.470   7.527
  129   HG12  ILE  21          1HG1      ILE  21  -5.762  -0.638   9.505
  130   HG13  ILE  21          2HG1      ILE  21  -6.012  -1.549   8.016
  131   HG21  ILE  21          1HG2      ILE  21  -3.337   0.185  10.078
  132   HG22  ILE  21          2HG2      ILE  21  -2.732  -1.472   9.840
  133   HG23  ILE  21          3HG2      ILE  21  -2.035  -0.173   8.916
  134   HD11  ILE  21          3HD1      ILE  21  -6.095  -3.119   9.781
  135   HD12  ILE  21          1HD1      ILE  21  -4.554  -3.383   8.936
  136   HD13  ILE  21          2HD1      ILE  21  -4.592  -2.533  10.503
  137    H    LYS  22           H        LYS  22  -3.047   2.653   8.276
  138    HA   LYS  22           HA       LYS  22  -1.370   3.232   6.044
  139    HB2  LYS  22           1HB      LYS  22  -2.120   4.787   7.911
  140    HB3  LYS  22           2HB      LYS  22  -0.901   4.043   8.948
  141    HG2  LYS  22           1HG      LYS  22   0.881   4.757   7.370
  142    HG3  LYS  22           2HG      LYS  22  -0.346   5.437   6.284
  143    HD2  LYS  22           1HD      LYS  22  -1.034   7.029   8.062
  144    HD3  LYS  22           2HD      LYS  22   0.194   6.343   9.148
  145    HE2  LYS  22           1HE      LYS  22   1.972   6.979   7.529
  146    HE3  LYS  22           2HE      LYS  22   0.749   7.666   6.452
  147    HZ1  LYS  22           3HZ      LYS  22   1.777   9.381   7.832
  148    HZ2  LYS  22           1HZ      LYS  22   1.326   8.629   9.206
  149    HZ3  LYS  22           2HZ      LYS  22   0.195   9.265   8.211
  150    H    ALA  23           H        ALA  23  -0.662   1.394   9.000
  151    HA   ALA  23           HA       ALA  23   2.094   0.971   8.665
  152    HB1  ALA  23           1HB      ALA  23   0.781   0.450  10.698
  153    HB2  ALA  23           2HB      ALA  23   0.024  -0.921   9.847
  154    HB3  ALA  23           3HB      ALA  23   1.766  -0.928  10.169
  155    H    ASN  24           H        ASN  24  -0.622  -0.842   7.194
  156    HA   ASN  24           HA       ASN  24   0.936  -2.946   6.009
  157    HB2  ASN  24           1HB      ASN  24  -1.776  -1.732   5.306
  158    HB3  ASN  24           2HB      ASN  24  -1.112  -3.150   4.529
  159   HD21  ASN  24          1HD2      ASN  24  -3.509  -3.387   5.605
  160   HD22  ASN  24          2HD2      ASN  24  -3.416  -4.419   7.037
  161    H    LEU  25           H        LEU  25  -0.172   0.233   4.718
  162    HA   LEU  25           HA       LEU  25   1.110  -0.056   2.168
  163    HB2  LEU  25           1HB      LEU  25  -0.676   1.570   2.549
  164    HB3  LEU  25           2HB      LEU  25   0.305   2.419   3.749
  165    HG   LEU  25           HG       LEU  25   1.956   3.025   2.000
  166   HD11  LEU  25          1HD1      LEU  25   1.387   2.691  -0.384
  167   HD12  LEU  25          2HD1      LEU  25  -0.002   1.679   0.089
  168   HD13  LEU  25          3HD1      LEU  25   1.664   1.154   0.422
  169   HD21  LEU  25          3HD2      LEU  25   0.609   4.653   0.818
  170   HD22  LEU  25          1HD2      LEU  25   0.072   4.536   2.504
  171   HD23  LEU  25          2HD2      LEU  25  -0.867   3.756   1.210
  172    H    ASN  26           H        ASN  26   2.261   1.290   5.294
  173    HA   ASN  26           HA       ASN  26   4.827   2.135   4.457
  174    HB2  ASN  26           1HB      ASN  26   4.573   2.802   6.570
  175    HB3  ASN  26           2HB      ASN  26   3.453   1.536   6.982
  176   HD21  ASN  26          1HD2      ASN  26   4.223  -0.413   7.916
  177   HD22  ASN  26          2HD2      ASN  26   5.843  -0.485   8.597
  178    H    VAL  27           H        VAL  27   3.925  -1.180   5.588
  179    HA   VAL  27           HA       VAL  27   6.513  -2.311   5.036
  180    HB   VAL  27           HB       VAL  27   3.761  -3.609   5.168
  181   HG11  VAL  27          1HG1      VAL  27   5.207  -5.134   3.917
  182   HG12  VAL  27          2HG1      VAL  27   6.504  -4.935   5.120
  183   HG13  VAL  27          3HG1      VAL  27   4.983  -5.750   5.552
  184   HG21  VAL  27          3HG2      VAL  27   4.503  -2.613   7.292
  185   HG22  VAL  27          1HG2      VAL  27   4.544  -4.370   7.395
  186   HG23  VAL  27          2HG2      VAL  27   6.058  -3.462   7.167
  187    H    HIS  28           H        HIS  28   3.627  -1.957   2.929
  188    HA   HIS  28           HA       HIS  28   4.734  -3.371   0.718
  189    HB2  HIS  28           1HB      HIS  28   2.351  -2.829   0.951
  190    HB3  HIS  28           2HB      HIS  28   2.697  -1.110   0.806
  191    HD1  HIS  28           1HD      HIS  28   2.479  -4.254  -1.373
  192    HD2  HIS  28           2HD      HIS  28   3.264  -0.134  -1.607
  193    HE1  HIS  28           1HE      HIS  28   2.543  -3.706  -3.853
  194    H    LEU  29           H        LEU  29   4.990   0.087   1.622
  195    HA   LEU  29           HA       LEU  29   6.544   0.897  -0.682
  196    HB2  LEU  29           1HB      LEU  29   6.255   2.053   2.092
  197    HB3  LEU  29           2HB      LEU  29   7.173   2.845   0.812
  198    HG   LEU  29           HG       LEU  29   4.293   2.095   0.385
  199   HD11  LEU  29          1HD1      LEU  29   3.829   4.471   1.173
  200   HD12  LEU  29          2HD1      LEU  29   5.557   4.583   1.633
  201   HD13  LEU  29          3HD1      LEU  29   4.497   3.429   2.455
  202   HD21  LEU  29          3HD2      LEU  29   4.364   4.071  -1.135
  203   HD22  LEU  29          1HD2      LEU  29   5.424   2.764  -1.657
  204   HD23  LEU  29          2HD2      LEU  29   6.110   4.201  -0.859
  205    H    ARG  30           H        ARG  30   7.491  -0.478   2.465
  206    HA   ARG  30           HA       ARG  30  10.206   0.232   2.331
  207    HB2  ARG  30           1HB      ARG  30   8.860  -2.230   3.524
  208    HB3  ARG  30           2HB      ARG  30  10.600  -1.973   3.665
  209    HG2  ARG  30           1HG      ARG  30  10.312   0.087   4.873
  210    HG3  ARG  30           2HG      ARG  30   8.587   0.099   4.594
  211    HD2  ARG  30           1HD      ARG  30   8.459  -2.095   5.900
  212    HD3  ARG  30           2HD      ARG  30  10.163  -1.847   6.306
  213    HE   ARG  30           HE       ARG  30   8.140   0.287   6.900
  214   HH11  ARG  30          2HH1      ARG  30  10.384  -2.031   8.298
  215   HH12  ARG  30          1HH1      ARG  30  10.247  -1.306   9.877
  216   HH21  ARG  30          2HH2      ARG  30   8.014   1.117   8.841
  217   HH22  ARG  30          1HH2      ARG  30   8.931   0.465  10.186
  218    H    LYS  31           H        LYS  31   8.494  -2.023   0.383
  219    HA   LYS  31           HA       LYS  31  10.827  -3.398  -0.773
  220    HB2  LYS  31           1HB      LYS  31   7.916  -3.337  -1.676
  221    HB3  LYS  31           2HB      LYS  31   9.172  -4.422  -2.267
  222    HG2  LYS  31           1HG      LYS  31   9.403  -5.436  -0.031
  223    HG3  LYS  31           2HG      LYS  31   8.158  -4.349   0.614
  224    HD2  LYS  31           1HD      LYS  31   6.509  -5.265  -0.989
  225    HD3  LYS  31           2HD      LYS  31   7.714  -6.414  -1.588
  226    HE2  LYS  31           1HE      LYS  31   6.739  -6.234   1.304
  227    HE3  LYS  31           2HE      LYS  31   6.077  -7.341   0.098
  228    HZ1  LYS  31           3HZ      LYS  31   8.892  -7.362   1.051
  229    HZ2  LYS  31           1HZ      LYS  31   8.286  -8.360  -0.096
  230    HZ3  LYS  31           2HZ      LYS  31   7.744  -8.453   1.439
  231    H    HIS  32           H        HIS  32   8.948  -0.473  -1.470
  232    HA   HIS  32           HA       HIS  32  10.212  -0.126  -4.118
  233    HB2  HIS  32           1HB      HIS  32   8.340   1.604  -2.463
  234    HB3  HIS  32           2HB      HIS  32   8.917   2.005  -4.083
  235    HD1  HIS  32           1HD      HIS  32   8.451  -0.559  -5.713
  236    HD2  HIS  32           2HD      HIS  32   5.867   0.859  -2.714
  237    HE1  HIS  32           1HE      HIS  32   6.196  -1.599  -6.205
  238    H    THR  33           H        THR  33  10.651   1.154  -0.792
  239    HA   THR  33           HA       THR  33  12.595   3.156  -1.655
  240    HB   THR  33           HB       THR  33  12.971   3.529   0.744
  241    HG1  THR  33           1HG      THR  33  11.765   2.390   2.225
  242   HG21  THR  33          3HG2      THR  33  11.095   4.680  -0.403
  243   HG22  THR  33          1HG2      THR  33  10.750   4.370   1.307
  244   HG23  THR  33          2HG2      THR  33  10.003   3.355   0.055
  245    H    GLY  34           H        GLY  34  12.851  -0.175  -0.478
  246    HA2  GLY  34           1HA      GLY  34  15.712  -0.196  -0.089
  247    HA3  GLY  34           2HA      GLY  34  14.679  -1.599  -0.352
  248    H    GLU  35           H        GLU  35  17.351  -0.445  -1.513
  249    HA   GLU  35           HA       GLU  35  16.711  -0.603  -4.420
  250    HB2  GLU  35           1HB      GLU  35  18.693   0.691  -4.806
  251    HB3  GLU  35           2HB      GLU  35  17.646   1.498  -3.644
  252    HG2  GLU  35           1HG      GLU  35  19.098   0.707  -1.779
  253    HG3  GLU  35           2HG      GLU  35  20.144  -0.104  -2.943
  254    H    LYS  36           H        LYS  36  17.714  -2.723  -2.214
  255    HA   LYS  36           HA       LYS  36  19.162  -4.427  -4.178
  256    HB2  LYS  36           1HB      LYS  36  20.071  -3.905  -1.314
  257    HB3  LYS  36           2HB      LYS  36  20.641  -5.242  -2.320
  258    HG2  LYS  36           1HG      LYS  36  21.507  -3.621  -3.998
  259    HG3  LYS  36           2HG      LYS  36  20.994  -2.282  -2.955
  260    HD2  LYS  36           1HD      LYS  36  22.484  -3.106  -1.152
  261    HD3  LYS  36           2HD      LYS  36  23.017  -4.435  -2.206
  262    HE2  LYS  36           1HE      LYS  36  23.847  -2.781  -3.866
  263    HE3  LYS  36           2HE      LYS  36  23.315  -1.459  -2.820
  264    HZ1  LYS  36           3HZ      LYS  36  25.382  -3.470  -2.101
  265    HZ2  LYS  36           1HZ      LYS  36  24.891  -2.248  -1.133
  266    HZ3  LYS  36           2HZ      LYS  36  25.679  -1.923  -2.524
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -18.051  12.702   2.825
    2    H2   GLY   1           2H       GLY   1 -18.844  11.319   3.208
    3    H3   GLY   1           3H       GLY   1 -19.142  12.070   1.781
    4    HA2  GLY   1           1HA      GLY   1 -16.585  10.817   2.546
    5    HA3  GLY   1           2HA      GLY   1 -17.772  10.117   1.430
    6    H    SER   2           H        SER   2 -14.956  10.855   0.953
    7    HA   SER   2           HA       SER   2 -14.787  13.255  -0.612
    8    HB2  SER   2           1HB      SER   2 -12.996  10.797  -0.618
    9    HB3  SER   2           2HB      SER   2 -12.595  12.389  -1.292
   10    HG   SER   2           HG       SER   2 -11.762  12.111   0.837
   11    H    SER   3           H        SER   3 -14.658  13.589  -2.820
   12    HA   SER   3           HA       SER   3 -15.962  11.565  -4.571
   13    HB2  SER   3           1HB      SER   3 -15.398  14.508  -5.049
   14    HB3  SER   3           2HB      SER   3 -16.328  13.426  -6.104
   15    HG   SER   3           HG       SER   3 -17.679  14.662  -4.709
   16    H    GLY   4           H        GLY   4 -12.836  13.187  -4.217
   17    HA2  GLY   4           1HA      GLY   4 -11.868  12.558  -6.886
   18    HA3  GLY   4           2HA      GLY   4 -10.942  13.212  -5.537
   19    H    SER   5           H        SER   5 -12.004  10.706  -3.975
   20    HA   SER   5           HA       SER   5 -10.609   8.432  -5.197
   21    HB2  SER   5           1HB      SER   5  -9.624   9.762  -2.640
   22    HB3  SER   5           2HB      SER   5  -9.323   8.053  -2.997
   23    HG   SER   5           HG       SER   5  -8.664  10.113  -4.836
   24    H    SER   6           H        SER   6 -11.156   6.439  -4.204
   25    HA   SER   6           HA       SER   6 -13.208   6.412  -2.065
   26    HB2  SER   6           1HB      SER   6 -14.333   6.697  -4.323
   27    HB3  SER   6           2HB      SER   6 -13.707   5.095  -4.758
   28    HG   SER   6           HG       SER   6 -15.856   5.060  -3.866
   29    H    GLY   7           H        GLY   7 -13.875   4.069  -1.638
   30    HA2  GLY   7           1HA      GLY   7 -13.326   1.947  -0.891
   31    HA3  GLY   7           2HA      GLY   7 -12.068   1.897  -2.123
   32    H    LYS   8           H        LYS   8 -10.555   0.910  -0.838
   33    HA   LYS   8           HA       LYS   8  -9.712   1.610   1.789
   34    HB2  LYS   8           1HB      LYS   8  -8.423   0.173  -0.548
   35    HB3  LYS   8           2HB      LYS   8  -7.551   0.420   0.964
   36    HG2  LYS   8           1HG      LYS   8  -9.189  -0.801   2.239
   37    HG3  LYS   8           2HG      LYS   8 -10.305  -0.867   0.867
   38    HD2  LYS   8           1HD      LYS   8  -8.732  -2.314  -0.382
   39    HD3  LYS   8           2HD      LYS   8  -7.561  -2.184   0.928
   40    HE2  LYS   8           1HE      LYS   8  -8.622  -4.300   1.166
   41    HE3  LYS   8           2HE      LYS   8  -9.182  -3.274   2.488
   42    HZ1  LYS   8           3HZ      LYS   8 -11.251  -2.915   1.236
   43    HZ2  LYS   8           1HZ      LYS   8 -11.005  -4.512   1.445
   44    HZ3  LYS   8           2HZ      LYS   8 -10.711  -3.834  -0.007
   45    HA   PRO   9           HA       PRO   9  -8.055   5.544   0.615
   46    HB2  PRO   9           1HB      PRO   9  -7.239   6.542   3.018
   47    HB3  PRO   9           2HB      PRO   9  -8.954   6.261   2.610
   48    HG2  PRO   9           1HG      PRO   9  -7.087   4.458   4.157
   49    HG3  PRO   9           2HG      PRO   9  -8.728   4.958   4.622
   50    HD2  PRO   9           1HD      PRO   9  -8.217   2.564   3.394
   51    HD3  PRO   9           2HD      PRO   9  -9.704   3.485   3.082
   52    H    TYR  10           H        TYR  10  -5.848   3.402   2.482
   53    HA   TYR  10           HA       TYR  10  -3.570   5.100   1.825
   54    HB2  TYR  10           1HB      TYR  10  -3.661   2.404   3.214
   55    HB3  TYR  10           2HB      TYR  10  -2.274   3.481   3.100
   56    HD1  TYR  10           2HD      TYR  10  -2.319   5.729   4.259
   57    HD2  TYR  10           1HD      TYR  10  -5.426   2.787   4.808
   58    HE1  TYR  10           2HE      TYR  10  -3.105   6.924   6.306
   59    HE2  TYR  10           1HE      TYR  10  -6.181   3.948   6.852
   60    HH   TYR  10           HH       TYR  10  -5.854   5.732   8.273
   61    H    LYS  11           H        LYS  11  -3.292   5.105  -0.340
   62    HA   LYS  11           HA       LYS  11  -3.000   2.548  -1.838
   63    HB2  LYS  11           1HB      LYS  11  -3.361   5.330  -2.974
   64    HB3  LYS  11           2HB      LYS  11  -3.438   3.787  -3.834
   65    HG2  LYS  11           1HG      LYS  11  -5.459   3.244  -2.282
   66    HG3  LYS  11           2HG      LYS  11  -5.430   4.962  -1.867
   67    HD2  LYS  11           1HD      LYS  11  -5.502   5.447  -4.369
   68    HD3  LYS  11           2HD      LYS  11  -5.854   3.741  -4.629
   69    HE2  LYS  11           1HE      LYS  11  -7.514   5.653  -2.917
   70    HE3  LYS  11           2HE      LYS  11  -7.850   5.275  -4.609
   71    HZ1  LYS  11           3HZ      LYS  11  -9.215   3.916  -3.202
   72    HZ2  LYS  11           1HZ      LYS  11  -7.946   3.361  -2.347
   73    HZ3  LYS  11           2HZ      LYS  11  -8.131   2.926  -3.930
   74    H    CYS  12           H        CYS  12  -1.306   2.083  -3.149
   75    HA   CYS  12           HA       CYS  12   1.286   3.139  -2.477
   76    HB2  CYS  12           1HB      CYS  12   0.927   0.808  -2.985
   77    HB3  CYS  12           2HB      CYS  12   0.356   1.212  -4.612
   78    HA   PRO  13           HA       PRO  13   1.372   6.333  -5.687
   79    HB2  PRO  13           1HB      PRO  13   3.979   7.112  -5.505
   80    HB3  PRO  13           2HB      PRO  13   2.772   7.472  -4.234
   81    HG2  PRO  13           1HG      PRO  13   4.783   5.200  -4.303
   82    HG3  PRO  13           2HG      PRO  13   4.444   6.336  -2.959
   83    HD2  PRO  13           1HD      PRO  13   3.323   3.847  -3.112
   84    HD3  PRO  13           2HD      PRO  13   2.430   5.227  -2.415
   85    H    GLN  14           H        GLN  14   2.990   3.284  -5.828
   86    HA   GLN  14           HA       GLN  14   3.782   3.738  -8.690
   87    HB2  GLN  14           1HB      GLN  14   5.013   1.848  -6.655
   88    HB3  GLN  14           2HB      GLN  14   5.438   1.960  -8.368
   89    HG2  GLN  14           1HG      GLN  14   6.067   4.379  -7.998
   90    HG3  GLN  14           2HG      GLN  14   5.784   4.145  -6.273
   91   HE21  GLN  14          1HE2      GLN  14   8.132   4.907  -6.222
   92   HE22  GLN  14          2HE2      GLN  14   9.359   3.662  -6.412
   93    H    CYS  15           H        CYS  15   1.954   1.633  -6.533
   94    HA   CYS  15           HA       CYS  15   1.268  -0.161  -8.840
   95    HB2  CYS  15           1HB      CYS  15   0.831  -0.802  -5.923
   96    HB3  CYS  15           2HB      CYS  15   0.873  -1.907  -7.295
   97    H    SER  16           H        SER  16  -0.889  -1.245  -8.609
   98    HA   SER  16           HA       SER  16  -3.115   0.591  -8.066
   99    HB2  SER  16           1HB      SER  16  -3.141  -2.358  -8.801
  100    HB3  SER  16           2HB      SER  16  -4.530  -1.255  -8.810
  101    HG   SER  16           HG       SER  16  -3.605  -1.514 -10.903
  102    H    TYR  17           H        TYR  17  -1.178  -0.989  -5.977
  103    HA   TYR  17           HA       TYR  17  -2.855  -2.474  -4.225
  104    HB2  TYR  17           1HB      TYR  17  -0.436  -2.700  -4.240
  105    HB3  TYR  17           2HB      TYR  17  -0.230  -1.015  -3.802
  106    HD1  TYR  17           1HD      TYR  17  -0.596  -0.219  -1.496
  107    HD2  TYR  17           2HD      TYR  17  -1.137  -4.370  -2.566
  108    HE1  TYR  17           1HE      TYR  17  -0.619  -0.838   0.909
  109    HE2  TYR  17           2HE      TYR  17  -1.127  -4.984  -0.154
  110    HH   TYR  17           HH       TYR  17  -0.960  -4.239   1.993
  111    H    ALA  18           H        ALA  18  -4.137  -1.928  -2.562
  112    HA   ALA  18           HA       ALA  18  -3.869   0.664  -1.238
  113    HB1  ALA  18           1HB      ALA  18  -5.610   1.048  -2.976
  114    HB2  ALA  18           2HB      ALA  18  -6.558  -0.296  -2.303
  115    HB3  ALA  18           3HB      ALA  18  -6.260   1.165  -1.331
  116    H    SER  19           H        SER  19  -4.492   0.654   0.932
  117    HA   SER  19           HA       SER  19  -5.691  -1.819   2.074
  118    HB2  SER  19           1HB      SER  19  -3.133  -1.836   2.236
  119    HB3  SER  19           2HB      SER  19  -3.309  -0.508   3.398
  120    HG   SER  19           HG       SER  19  -4.354  -3.162   3.516
  121    H    ALA  20           H        ALA  20  -6.394  -1.558   4.307
  122    HA   ALA  20           HA       ALA  20  -7.762   1.025   4.754
  123    HB1  ALA  20           1HB      ALA  20  -9.038  -1.087   4.808
  124    HB2  ALA  20           2HB      ALA  20  -8.018  -1.671   6.146
  125    HB3  ALA  20           3HB      ALA  20  -9.074  -0.262   6.376
  126    H    ILE  21           H        ILE  21  -4.787  -0.209   5.625
  127    HA   ILE  21           HA       ILE  21  -4.644   1.364   8.166
  128    HB   ILE  21           HB       ILE  21  -3.530  -1.404   7.607
  129   HG12  ILE  21          1HG1      ILE  21  -5.621  -0.482   9.628
  130   HG13  ILE  21          2HG1      ILE  21  -5.941  -1.409   8.162
  131   HG21  ILE  21          1HG2      ILE  21  -1.905  -0.120   8.911
  132   HG22  ILE  21          2HG2      ILE  21  -3.165   0.331  10.089
  133   HG23  ILE  21          3HG2      ILE  21  -2.619  -1.353   9.905
  134   HD11  ILE  21          3HD1      ILE  21  -4.465  -2.391  10.616
  135   HD12  ILE  21          1HD1      ILE  21  -6.003  -2.951   9.952
  136   HD13  ILE  21          2HD1      ILE  21  -4.499  -3.264   9.062
  137    H    LYS  22           H        LYS  22  -2.950   2.724   8.299
  138    HA   LYS  22           HA       LYS  22  -1.325   3.324   6.041
  139    HB2  LYS  22           1HB      LYS  22  -2.060   4.847   7.946
  140    HB3  LYS  22           2HB      LYS  22  -0.789   4.128   8.935
  141    HG2  LYS  22           1HG      LYS  22   0.922   4.905   7.324
  142    HG3  LYS  22           2HG      LYS  22  -0.348   5.537   6.259
  143    HD2  LYS  22           1HD      LYS  22  -1.087   7.072   8.082
  144    HD3  LYS  22           2HD      LYS  22   0.236   6.501   9.102
  145    HE2  LYS  22           1HE      LYS  22   0.569   7.837   6.371
  146    HE3  LYS  22           2HE      LYS  22   0.641   8.692   7.913
  147    HZ1  LYS  22           3HZ      LYS  22   2.514   6.540   7.084
  148    HZ2  LYS  22           1HZ      LYS  22   2.552   7.309   8.530
  149    HZ3  LYS  22           2HZ      LYS  22   2.858   8.132   7.157
  150    H    ALA  23           H        ALA  23  -0.546   1.437   8.946
  151    HA   ALA  23           HA       ALA  23   2.218   1.025   8.446
  152    HB1  ALA  23           1HB      ALA  23   1.067   0.593  10.596
  153    HB2  ALA  23           2HB      ALA  23   0.216  -0.788   9.856
  154    HB3  ALA  23           3HB      ALA  23   1.980  -0.823  10.038
  155    H    ASN  24           H        ASN  24  -0.622  -0.750   7.153
  156    HA   ASN  24           HA       ASN  24   0.872  -2.908   5.950
  157    HB2  ASN  24           1HB      ASN  24  -1.836  -1.664   5.298
  158    HB3  ASN  24           2HB      ASN  24  -1.199  -3.085   4.504
  159   HD21  ASN  24          1HD2      ASN  24  -3.562  -3.351   5.595
  160   HD22  ASN  24          2HD2      ASN  24  -3.459  -4.362   7.043
  161    H    LEU  25           H        LEU  25  -0.179   0.306   4.702
  162    HA   LEU  25           HA       LEU  25   1.102   0.002   2.154
  163    HB2  LEU  25           1HB      LEU  25  -0.667   1.645   2.514
  164    HB3  LEU  25           2HB      LEU  25   0.310   2.487   3.723
  165    HG   LEU  25           HG       LEU  25   1.985   3.068   1.988
  166   HD11  LEU  25          1HD1      LEU  25   1.689   1.196   0.415
  167   HD12  LEU  25          2HD1      LEU  25   1.444   2.732  -0.398
  168   HD13  LEU  25          3HD1      LEU  25   0.034   1.739   0.057
  169   HD21  LEU  25          3HD2      LEU  25   0.680   4.716   0.797
  170   HD22  LEU  25          1HD2      LEU  25   0.116   4.604   2.473
  171   HD23  LEU  25          2HD2      LEU  25  -0.817   3.846   1.161
  172    H    ASN  26           H        ASN  26   2.293   1.329   5.293
  173    HA   ASN  26           HA       ASN  26   4.826   2.183   4.354
  174    HB2  ASN  26           1HB      ASN  26   3.825   2.653   6.602
  175    HB3  ASN  26           2HB      ASN  26   4.156   0.984   7.064
  176   HD21  ASN  26          1HD2      ASN  26   5.339   2.164   8.846
  177   HD22  ASN  26          2HD2      ASN  26   6.999   2.626   8.508
  178    H    VAL  27           H        VAL  27   3.933  -1.115   5.595
  179    HA   VAL  27           HA       VAL  27   6.497  -2.295   5.026
  180    HB   VAL  27           HB       VAL  27   3.706  -3.510   5.221
  181   HG11  VAL  27          1HG1      VAL  27   5.065  -5.106   3.959
  182   HG12  VAL  27          2HG1      VAL  27   6.399  -4.939   5.124
  183   HG13  VAL  27          3HG1      VAL  27   4.863  -5.689   5.609
  184   HG21  VAL  27          3HG2      VAL  27   6.063  -3.483   7.163
  185   HG22  VAL  27          1HG2      VAL  27   4.610  -2.476   7.310
  186   HG23  VAL  27          2HG2      VAL  27   4.474  -4.230   7.448
  187    H    HIS  28           H        HIS  28   3.596  -1.891   2.933
  188    HA   HIS  28           HA       HIS  28   4.686  -3.344   0.737
  189    HB2  HIS  28           1HB      HIS  28   2.312  -2.777   0.925
  190    HB3  HIS  28           2HB      HIS  28   2.674  -1.060   0.804
  191    HD1  HIS  28           1HD      HIS  28   2.417  -4.166  -1.411
  192    HD2  HIS  28           2HD      HIS  28   3.314  -0.066  -1.596
  193    HE1  HIS  28           1HE      HIS  28   2.529  -3.597  -3.883
  194    H    LEU  29           H        LEU  29   4.965   0.118   1.617
  195    HA   LEU  29           HA       LEU  29   6.587   0.899  -0.647
  196    HB2  LEU  29           1HB      LEU  29   6.273   2.068   2.122
  197    HB3  LEU  29           2HB      LEU  29   7.205   2.838   0.841
  198    HG   LEU  29           HG       LEU  29   4.307   2.134   0.413
  199   HD11  LEU  29          1HD1      LEU  29   5.619   4.599   1.650
  200   HD12  LEU  29          2HD1      LEU  29   4.531   3.471   2.472
  201   HD13  LEU  29          3HD1      LEU  29   3.891   4.520   1.181
  202   HD21  LEU  29          3HD2      LEU  29   4.417   4.078  -1.139
  203   HD22  LEU  29          1HD2      LEU  29   5.461   2.750  -1.635
  204   HD23  LEU  29          2HD2      LEU  29   6.165   4.188  -0.855
  205    H    ARG  30           H        ARG  30   7.417  -0.500   2.524
  206    HA   ARG  30           HA       ARG  30  10.154   0.119   2.423
  207    HB2  ARG  30           1HB      ARG  30   8.641  -2.166   3.740
  208    HB3  ARG  30           2HB      ARG  30  10.398  -2.079   3.839
  209    HG2  ARG  30           1HG      ARG  30  10.336   0.076   4.913
  210    HG3  ARG  30           2HG      ARG  30   8.609   0.226   4.695
  211    HD2  ARG  30           1HD      ARG  30   9.039  -0.386   6.990
  212    HD3  ARG  30           2HD      ARG  30   8.244  -1.728   6.187
  213    HE   ARG  30           HE       ARG  30  10.141  -3.046   6.429
  214   HH11  ARG  30          2HH2      ARG  30  11.057   0.224   7.310
  215   HH12  ARG  30          1HH2      ARG  30  12.586  -0.291   7.967
  216   HH21  ARG  30          2HH1      ARG  30  12.105  -3.623   7.276
  217   HH22  ARG  30          1HH1      ARG  30  13.157  -2.410   7.944
  218    H    LYS  31           H        LYS  31   8.407  -2.061   0.452
  219    HA   LYS  31           HA       LYS  31  10.744  -3.483  -0.663
  220    HB2  LYS  31           1HB      LYS  31   7.851  -3.410  -1.615
  221    HB3  LYS  31           2HB      LYS  31   9.117  -4.499  -2.176
  222    HG2  LYS  31           1HG      LYS  31   9.287  -5.509   0.075
  223    HG3  LYS  31           2HG      LYS  31   8.021  -4.422   0.675
  224    HD2  LYS  31           1HD      LYS  31   6.405  -5.373  -0.934
  225    HD3  LYS  31           2HD      LYS  31   7.663  -6.472  -1.548
  226    HE2  LYS  31           1HE      LYS  31   7.910  -7.433   0.746
  227    HE3  LYS  31           2HE      LYS  31   6.622  -6.367   1.322
  228    HZ1  LYS  31           3HZ      LYS  31   6.299  -8.465  -0.762
  229    HZ2  LYS  31           1HZ      LYS  31   5.104  -7.483  -0.235
  230    HZ3  LYS  31           2HZ      LYS  31   5.770  -8.577   0.776
  231    H    HIS  32           H        HIS  32   8.916  -0.529  -1.373
  232    HA   HIS  32           HA       HIS  32  10.174  -0.211  -4.026
  233    HB2  HIS  32           1HB      HIS  32   8.354   1.562  -2.357
  234    HB3  HIS  32           2HB      HIS  32   8.983   1.995  -3.945
  235    HD1  HIS  32           1HD      HIS  32   8.431  -0.280  -5.802
  236    HD2  HIS  32           2HD      HIS  32   5.877   0.804  -2.648
  237    HE1  HIS  32           1HE      HIS  32   6.170  -1.246  -6.393
  238    H    THR  33           H        THR  33  10.766   0.953  -0.701
  239    HA   THR  33           HA       THR  33  12.556   3.067  -1.472
  240    HB   THR  33           HB       THR  33  13.241   3.040   0.946
  241    HG1  THR  33           1HG      THR  33  12.926   0.939   1.528
  242   HG21  THR  33          3HG2      THR  33  10.242   3.053   0.408
  243   HG22  THR  33          1HG2      THR  33  11.357   4.417   0.189
  244   HG23  THR  33          2HG2      THR  33  11.066   3.764   1.811
  245    H    GLY  34           H        GLY  34  13.168  -0.325  -1.399
  246    HA2  GLY  34           1HA      GLY  34  15.816   0.072  -2.429
  247    HA3  GLY  34           2HA      GLY  34  15.907  -0.511  -0.766
  248    H    GLU  35           H        GLU  35  16.684  -1.751  -3.355
  249    HA   GLU  35           HA       GLU  35  15.531  -4.430  -2.943
  250    HB2  GLU  35           1HB      GLU  35  14.037  -3.320  -4.601
  251    HB3  GLU  35           2HB      GLU  35  15.428  -3.014  -5.644
  252    HG2  GLU  35           1HG      GLU  35  15.774  -5.440  -5.927
  253    HG3  GLU  35           2HG      GLU  35  14.484  -5.779  -4.770
  254    H    LYS  36           H        LYS  36  16.922  -6.082  -3.568
  255    HA   LYS  36           HA       LYS  36  19.410  -5.519  -5.038
  256    HB2  LYS  36           1HB      LYS  36  19.951  -5.091  -2.637
  257    HB3  LYS  36           2HB      LYS  36  19.390  -6.711  -2.230
  258    HG2  LYS  36           1HG      LYS  36  21.802  -6.667  -2.304
  259    HG3  LYS  36           2HG      LYS  36  21.206  -7.696  -3.607
  260    HD2  LYS  36           1HD      LYS  36  21.613  -5.883  -5.247
  261    HD3  LYS  36           2HD      LYS  36  22.121  -4.798  -3.933
  262    HE2  LYS  36           1HE      LYS  36  23.976  -6.356  -3.379
  263    HE3  LYS  36           2HE      LYS  36  23.461  -7.438  -4.680
  264    HZ1  LYS  36           3HZ      LYS  36  25.270  -5.989  -5.400
  265    HZ2  LYS  36           1HZ      LYS  36  24.407  -4.647  -5.064
  266    HZ3  LYS  36           2HZ      LYS  36  23.931  -5.646  -6.266
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  -1.957   1.808 -18.019
    2    H2   GLY   1           2H       GLY   1  -2.806   2.432 -16.764
    3    H3   GLY   1           3H       GLY   1  -3.355   2.615 -18.296
    4    HA2  GLY   1           1HA      GLY   1  -3.721   0.252 -18.525
    5    HA3  GLY   1           2HA      GLY   1  -3.106   0.041 -16.877
    6    H    SER   2           H        SER   2  -5.736  -0.676 -17.973
    7    HA   SER   2           HA       SER   2  -7.696   1.245 -17.047
    8    HB2  SER   2           1HB      SER   2  -8.067  -1.647 -17.897
    9    HB3  SER   2           2HB      SER   2  -9.327  -0.405 -17.776
   10    HG   SER   2           HG       SER   2  -8.563  -0.656 -19.930
   11    H    SER   3           H        SER   3  -5.971  -1.150 -15.312
   12    HA   SER   3           HA       SER   3  -7.945  -2.074 -13.478
   13    HB2  SER   3           1HB      SER   3  -4.941  -1.819 -13.085
   14    HB3  SER   3           2HB      SER   3  -6.045  -2.842 -12.144
   15    HG   SER   3           HG       SER   3  -4.991  -4.020 -13.812
   16    H    GLY   4           H        GLY   4  -8.137  -1.665 -11.190
   17    HA2  GLY   4           1HA      GLY   4  -7.102   0.744  -9.944
   18    HA3  GLY   4           2HA      GLY   4  -8.789   0.915 -10.430
   19    H    SER   5           H        SER   5  -8.678   1.275  -7.966
   20    HA   SER   5           HA       SER   5  -9.566  -1.159  -6.533
   21    HB2  SER   5           1HB      SER   5  -8.060  -0.623  -4.618
   22    HB3  SER   5           2HB      SER   5  -7.200  -1.120  -6.081
   23    HG   SER   5           HG       SER   5  -6.117   0.623  -5.552
   24    H    SER   6           H        SER   6 -10.739  -0.712  -4.560
   25    HA   SER   6           HA       SER   6 -11.618   2.073  -4.071
   26    HB2  SER   6           1HB      SER   6 -13.053   1.095  -5.906
   27    HB3  SER   6           2HB      SER   6 -13.621  -0.112  -4.737
   28    HG   SER   6           HG       SER   6 -14.986   1.762  -4.882
   29    H    GLY   7           H        GLY   7 -13.053   2.251  -2.199
   30    HA2  GLY   7           1HA      GLY   7 -13.722   1.863  -0.043
   31    HA3  GLY   7           2HA      GLY   7 -13.447   0.142  -0.309
   32    H    LYS   8           H        LYS   8 -10.540   1.708  -0.869
   33    HA   LYS   8           HA       LYS   8  -9.538   1.417   1.938
   34    HB2  LYS   8           1HB      LYS   8  -8.510   0.147  -0.609
   35    HB3  LYS   8           2HB      LYS   8  -7.477   0.375   0.798
   36    HG2  LYS   8           1HG      LYS   8  -8.848  -1.014   2.190
   37    HG3  LYS   8           2HG      LYS   8 -10.146  -1.064   0.993
   38    HD2  LYS   8           1HD      LYS   8  -8.701  -2.311  -0.572
   39    HD3  LYS   8           2HD      LYS   8  -7.380  -2.269   0.610
   40    HE2  LYS   8           1HE      LYS   8  -8.789  -3.509   2.235
   41    HE3  LYS   8           2HE      LYS   8 -10.113  -3.544   1.063
   42    HZ1  LYS   8           3HZ      LYS   8  -7.454  -4.816   0.652
   43    HZ2  LYS   8           1HZ      LYS   8  -8.693  -4.857  -0.415
   44    HZ3  LYS   8           2HZ      LYS   8  -8.831  -5.610   1.023
   45    HA   PRO   9           HA       PRO   9  -8.174   5.453   0.562
   46    HB2  PRO   9           1HB      PRO   9  -7.365   6.531   2.933
   47    HB3  PRO   9           2HB      PRO   9  -9.078   6.204   2.546
   48    HG2  PRO   9           1HG      PRO   9  -7.161   4.502   4.145
   49    HG3  PRO   9           2HG      PRO   9  -8.824   4.961   4.585
   50    HD2  PRO   9           1HD      PRO   9  -8.217   2.545   3.426
   51    HD3  PRO   9           2HD      PRO   9  -9.741   3.399   3.101
   52    H    TYR  10           H        TYR  10  -5.918   3.415   2.488
   53    HA   TYR  10           HA       TYR  10  -3.668   5.141   1.839
   54    HB2  TYR  10           1HB      TYR  10  -3.732   2.436   3.213
   55    HB3  TYR  10           2HB      TYR  10  -2.358   3.529   3.133
   56    HD1  TYR  10           2HD      TYR  10  -2.507   5.809   4.272
   57    HD2  TYR  10           1HD      TYR  10  -5.470   2.724   4.822
   58    HE1  TYR  10           2HE      TYR  10  -3.339   6.966   6.314
   59    HE2  TYR  10           1HE      TYR  10  -6.275   3.856   6.874
   60    HH   TYR  10           HH       TYR  10  -4.841   6.931   8.050
   61    H    LYS  11           H        LYS  11  -3.190   5.142  -0.315
   62    HA   LYS  11           HA       LYS  11  -2.883   2.537  -1.747
   63    HB2  LYS  11           1HB      LYS  11  -3.421   5.275  -2.944
   64    HB3  LYS  11           2HB      LYS  11  -3.290   3.733  -3.799
   65    HG2  LYS  11           1HG      LYS  11  -5.237   2.967  -2.197
   66    HG3  LYS  11           2HG      LYS  11  -5.496   4.700  -1.960
   67    HD2  LYS  11           1HD      LYS  11  -5.698   4.985  -4.436
   68    HD3  LYS  11           2HD      LYS  11  -5.445   3.237  -4.634
   69    HE2  LYS  11           1HE      LYS  11  -7.479   2.872  -3.148
   70    HE3  LYS  11           2HE      LYS  11  -7.780   4.614  -3.240
   71    HZ1  LYS  11           3HZ      LYS  11  -7.871   4.348  -5.698
   72    HZ2  LYS  11           1HZ      LYS  11  -9.012   3.417  -4.983
   73    HZ3  LYS  11           2HZ      LYS  11  -7.651   2.725  -5.530
   74    H    CYS  12           H        CYS  12  -1.257   2.104  -3.118
   75    HA   CYS  12           HA       CYS  12   1.347   3.148  -2.474
   76    HB2  CYS  12           1HB      CYS  12   0.924   0.822  -2.995
   77    HB3  CYS  12           2HB      CYS  12   0.390   1.257  -4.628
   78    HA   PRO  13           HA       PRO  13   1.410   6.321  -5.739
   79    HB2  PRO  13           1HB      PRO  13   4.027   7.086  -5.574
   80    HB3  PRO  13           2HB      PRO  13   2.813   7.505  -4.333
   81    HG2  PRO  13           1HG      PRO  13   4.839   5.266  -4.261
   82    HG3  PRO  13           2HG      PRO  13   4.424   6.431  -2.970
   83    HD2  PRO  13           1HD      PRO  13   3.368   3.895  -3.120
   84    HD3  PRO  13           2HD      PRO  13   2.460   5.265  -2.420
   85    H    GLN  14           H        GLN  14   3.074   3.290  -5.744
   86    HA   GLN  14           HA       GLN  14   4.069   3.662  -8.543
   87    HB2  GLN  14           1HB      GLN  14   4.843   1.459  -6.635
   88    HB3  GLN  14           2HB      GLN  14   5.646   1.932  -8.119
   89    HG2  GLN  14           1HG      GLN  14   5.563   3.539  -5.521
   90    HG3  GLN  14           2HG      GLN  14   6.897   2.556  -6.087
   91   HE21  GLN  14          1HE2      GLN  14   7.616   5.023  -5.471
   92   HE22  GLN  14          2HE2      GLN  14   7.850   5.996  -6.918
   93    H    CYS  15           H        CYS  15   1.981   1.662  -6.528
   94    HA   CYS  15           HA       CYS  15   1.297  -0.102  -8.855
   95    HB2  CYS  15           1HB      CYS  15   0.837  -0.741  -5.938
   96    HB3  CYS  15           2HB      CYS  15   0.868  -1.848  -7.306
   97    H    SER  16           H        SER  16  -0.895  -1.155  -8.624
   98    HA   SER  16           HA       SER  16  -3.090   0.716  -8.089
   99    HB2  SER  16           1HB      SER  16  -3.166  -2.258  -8.719
  100    HB3  SER  16           2HB      SER  16  -4.533  -1.129  -8.776
  101    HG   SER  16           HG       SER  16  -3.517  -1.561 -10.847
  102    H    TYR  17           H        TYR  17  -1.157  -0.968  -6.019
  103    HA   TYR  17           HA       TYR  17  -2.810  -2.437  -4.279
  104    HB2  TYR  17           1HB      TYR  17  -0.396  -2.642  -4.307
  105    HB3  TYR  17           2HB      TYR  17  -0.198  -0.967  -3.830
  106    HD1  TYR  17           1HD      TYR  17  -0.605  -0.220  -1.492
  107    HD2  TYR  17           2HD      TYR  17  -1.030  -4.360  -2.667
  108    HE1  TYR  17           1HE      TYR  17  -0.527  -0.894   0.878
  109    HE2  TYR  17           2HE      TYR  17  -0.948  -5.032  -0.265
  110    HH   TYR  17           HH       TYR  17  -0.474  -2.650   2.356
  111    H    ALA  18           H        ALA  18  -4.028  -1.982  -2.560
  112    HA   ALA  18           HA       ALA  18  -3.929   0.644  -1.254
  113    HB1  ALA  18           1HB      ALA  18  -6.533  -0.569  -2.269
  114    HB2  ALA  18           2HB      ALA  18  -6.338   0.957  -1.370
  115    HB3  ALA  18           3HB      ALA  18  -5.690   0.807  -3.013
  116    H    SER  19           H        SER  19  -4.546   0.609   0.908
  117    HA   SER  19           HA       SER  19  -5.651  -1.890   2.075
  118    HB2  SER  19           1HB      SER  19  -3.091  -1.855   2.252
  119    HB3  SER  19           2HB      SER  19  -3.302  -0.520   3.402
  120    HG   SER  19           HG       SER  19  -4.283  -3.197   3.538
  121    H    ALA  20           H        ALA  20  -6.353  -1.628   4.312
  122    HA   ALA  20           HA       ALA  20  -7.784   0.929   4.732
  123    HB1  ALA  20           1HB      ALA  20  -9.023  -1.204   4.783
  124    HB2  ALA  20           2HB      ALA  20  -8.002  -1.767   6.129
  125    HB3  ALA  20           3HB      ALA  20  -9.085  -0.377   6.349
  126    H    ILE  21           H        ILE  21  -4.790  -0.236   5.624
  127    HA   ILE  21           HA       ILE  21  -4.685   1.364   8.148
  128    HB   ILE  21           HB       ILE  21  -3.527  -1.396   7.635
  129   HG12  ILE  21          1HG1      ILE  21  -5.634  -0.474   9.639
  130   HG13  ILE  21          2HG1      ILE  21  -5.938  -1.429   8.188
  131   HG21  ILE  21          1HG2      ILE  21  -2.619  -1.296   9.933
  132   HG22  ILE  21          2HG2      ILE  21  -1.921  -0.071   8.919
  133   HG23  ILE  21          3HG2      ILE  21  -3.187   0.383  10.088
  134   HD11  ILE  21          3HD1      ILE  21  -4.450  -2.349  10.660
  135   HD12  ILE  21          1HD1      ILE  21  -5.980  -2.942  10.003
  136   HD13  ILE  21          2HD1      ILE  21  -4.469  -3.247   9.119
  137    H    LYS  22           H        LYS  22  -3.001   2.748   8.269
  138    HA   LYS  22           HA       LYS  22  -1.378   3.329   6.001
  139    HB2  LYS  22           1HB      LYS  22  -2.124   4.890   7.862
  140    HB3  LYS  22           2HB      LYS  22  -0.869   4.187   8.884
  141    HG2  LYS  22           1HG      LYS  22   0.868   4.921   7.267
  142    HG3  LYS  22           2HG      LYS  22  -0.395   5.554   6.190
  143    HD2  LYS  22           1HD      LYS  22  -1.092   7.156   7.956
  144    HD3  LYS  22           2HD      LYS  22   0.172   6.519   9.031
  145    HE2  LYS  22           1HE      LYS  22   1.905   7.175   7.371
  146    HE3  LYS  22           2HE      LYS  22   0.646   7.811   6.304
  147    HZ1  LYS  22           3HZ      LYS  22   1.651   9.575   7.636
  148    HZ2  LYS  22           1HZ      LYS  22   1.243   8.836   9.031
  149    HZ3  LYS  22           2HZ      LYS  22   0.080   9.424   8.044
  150    H    ALA  23           H        ALA  23  -0.571   1.508   8.949
  151    HA   ALA  23           HA       ALA  23   2.193   1.122   8.445
  152    HB1  ALA  23           1HB      ALA  23   1.989  -0.708  10.065
  153    HB2  ALA  23           2HB      ALA  23   1.063   0.706  10.607
  154    HB3  ALA  23           3HB      ALA  23   0.223  -0.695   9.896
  155    H    ASN  24           H        ASN  24  -0.622  -0.711   7.181
  156    HA   ASN  24           HA       ASN  24   0.904  -2.851   5.989
  157    HB2  ASN  24           1HB      ASN  24  -1.827  -1.661   5.330
  158    HB3  ASN  24           2HB      ASN  24  -1.168  -3.087   4.555
  159   HD21  ASN  24          1HD2      ASN  24  -3.526  -3.371   5.647
  160   HD22  ASN  24          2HD2      ASN  24  -3.410  -4.355   7.111
  161    H    LEU  25           H        LEU  25  -0.162   0.358   4.736
  162    HA   LEU  25           HA       LEU  25   1.087   0.033   2.166
  163    HB2  LEU  25           1HB      LEU  25  -0.694   1.662   2.542
  164    HB3  LEU  25           2HB      LEU  25   0.293   2.521   3.729
  165    HG   LEU  25           HG       LEU  25   1.942   3.105   1.971
  166   HD11  LEU  25          1HD1      LEU  25   1.366   2.743  -0.404
  167   HD12  LEU  25          2HD1      LEU  25  -0.022   1.734   0.080
  168   HD13  LEU  25          3HD1      LEU  25   1.647   1.216   0.415
  169   HD21  LEU  25          3HD2      LEU  25   0.059   4.620   2.467
  170   HD22  LEU  25          1HD2      LEU  25  -0.884   3.829   1.181
  171   HD23  LEU  25          2HD2      LEU  25   0.593   4.720   0.778
  172    H    ASN  26           H        ASN  26   2.288   1.388   5.287
  173    HA   ASN  26           HA       ASN  26   4.808   2.261   4.330
  174    HB2  ASN  26           1HB      ASN  26   3.797   2.736   6.578
  175    HB3  ASN  26           2HB      ASN  26   4.168   1.081   7.059
  176   HD21  ASN  26          1HD2      ASN  26   5.337   2.307   8.816
  177   HD22  ASN  26          2HD2      ASN  26   6.984   2.805   8.461
  178    H    VAL  27           H        VAL  27   3.944  -1.016   5.617
  179    HA   VAL  27           HA       VAL  27   6.498  -2.217   5.072
  180    HB   VAL  27           HB       VAL  27   3.710  -3.405   5.274
  181   HG11  VAL  27          1HG1      VAL  27   6.391  -4.859   5.198
  182   HG12  VAL  27          2HG1      VAL  27   4.849  -5.590   5.697
  183   HG13  VAL  27          3HG1      VAL  27   5.051  -5.034   4.038
  184   HG21  VAL  27          3HG2      VAL  27   6.065  -3.375   7.217
  185   HG22  VAL  27          1HG2      VAL  27   4.625  -2.350   7.351
  186   HG23  VAL  27          2HG2      VAL  27   4.468  -4.102   7.513
  187    H    HIS  28           H        HIS  28   3.605  -1.832   2.962
  188    HA   HIS  28           HA       HIS  28   4.705  -3.317   0.790
  189    HB2  HIS  28           1HB      HIS  28   2.331  -2.768   0.958
  190    HB3  HIS  28           2HB      HIS  28   2.677  -1.048   0.829
  191    HD1  HIS  28           1HD      HIS  28   2.462  -4.172  -1.368
  192    HD2  HIS  28           2HD      HIS  28   3.295  -0.060  -1.581
  193    HE1  HIS  28           1HE      HIS  28   2.556  -3.618  -3.842
  194    H    LEU  29           H        LEU  29   4.949   0.168   1.602
  195    HA   LEU  29           HA       LEU  29   6.525   0.942  -0.690
  196    HB2  LEU  29           1HB      LEU  29   6.247   2.105   2.085
  197    HB3  LEU  29           2HB      LEU  29   7.193   2.878   0.816
  198    HG   LEU  29           HG       LEU  29   4.307   2.175   0.348
  199   HD11  LEU  29          1HD1      LEU  29   3.869   4.558   1.139
  200   HD12  LEU  29          2HD1      LEU  29   5.590   4.632   1.637
  201   HD13  LEU  29          3HD1      LEU  29   4.490   3.494   2.427
  202   HD21  LEU  29          3HD2      LEU  29   6.185   4.254  -0.853
  203   HD22  LEU  29          1HD2      LEU  29   4.442   4.163  -1.162
  204   HD23  LEU  29          2HD2      LEU  29   5.484   2.835  -1.670
  205    H    ARG  30           H        ARG  30   7.451  -0.418   2.477
  206    HA   ARG  30           HA       ARG  30  10.175   0.202   2.317
  207    HB2  ARG  30           1HB      ARG  30   8.799  -2.238   3.506
  208    HB3  ARG  30           2HB      ARG  30  10.545  -2.029   3.576
  209    HG2  ARG  30           1HG      ARG  30  10.344   0.049   4.822
  210    HG3  ARG  30           2HG      ARG  30   8.591   0.002   4.701
  211    HD2  ARG  30           1HD      ARG  30   9.149  -0.812   6.872
  212    HD3  ARG  30           2HD      ARG  30   8.595  -2.188   5.927
  213    HE   ARG  30           HE       ARG  30  10.880  -2.996   5.731
  214   HH11  ARG  30          2HH1      ARG  30  10.727  -0.277   7.967
  215   HH12  ARG  30          1HH1      ARG  30  12.276  -0.691   8.652
  216   HH21  ARG  30          2HH2      ARG  30  12.713  -3.412   6.561
  217   HH22  ARG  30          1HH2      ARG  30  13.409  -2.466   7.881
  218    H    LYS  31           H        LYS  31   8.359  -2.064   0.408
  219    HA   LYS  31           HA       LYS  31  10.670  -3.482  -0.742
  220    HB2  LYS  31           1HB      LYS  31   7.755  -3.479  -1.621
  221    HB3  LYS  31           2HB      LYS  31   9.018  -4.582  -2.158
  222    HG2  LYS  31           1HG      LYS  31   9.257  -5.465   0.148
  223    HG3  LYS  31           2HG      LYS  31   7.971  -4.376   0.704
  224    HD2  LYS  31           1HD      LYS  31   6.368  -5.449  -0.853
  225    HD3  LYS  31           2HD      LYS  31   7.649  -6.558  -1.397
  226    HE2  LYS  31           1HE      LYS  31   7.913  -7.371   0.952
  227    HE3  LYS  31           2HE      LYS  31   6.606  -6.296   1.463
  228    HZ1  LYS  31           3HZ      LYS  31   6.322  -8.526  -0.488
  229    HZ2  LYS  31           1HZ      LYS  31   5.107  -7.537  -0.020
  230    HZ3  LYS  31           2HZ      LYS  31   5.796  -8.552   1.056
  231    H    HIS  32           H        HIS  32   8.919  -0.520  -1.442
  232    HA   HIS  32           HA       HIS  32  10.167  -0.279  -4.115
  233    HB2  HIS  32           1HB      HIS  32   8.413   1.562  -2.458
  234    HB3  HIS  32           2HB      HIS  32   9.038   1.952  -4.066
  235    HD1  HIS  32           1HD      HIS  32   8.441  -0.519  -5.762
  236    HD2  HIS  32           2HD      HIS  32   5.909   0.902  -2.720
  237    HE1  HIS  32           1HE      HIS  32   6.156  -1.482  -6.269
  238    H    THR  33           H        THR  33  10.739   0.929  -0.792
  239    HA   THR  33           HA       THR  33  12.976   2.622  -1.709
  240    HB   THR  33           HB       THR  33  13.199   3.253   0.639
  241    HG1  THR  33           1HG      THR  33  11.729   2.467   2.129
  242   HG21  THR  33          3HG2      THR  33  11.549   4.441  -0.807
  243   HG22  THR  33          1HG2      THR  33  11.085   4.425   0.903
  244   HG23  THR  33          2HG2      THR  33  10.279   3.333  -0.243
  245    H    GLY  34           H        GLY  34  12.654  -0.611  -0.427
  246    HA2  GLY  34           1HA      GLY  34  15.478  -1.224  -0.781
  247    HA3  GLY  34           2HA      GLY  34  15.000  -1.073   0.912
  248    H    GLU  35           H        GLU  35  15.079  -3.157   1.579
  249    HA   GLU  35           HA       GLU  35  14.690  -5.363   1.838
  250    HB2  GLU  35           1HB      GLU  35  11.978  -4.759   0.642
  251    HB3  GLU  35           2HB      GLU  35  12.367  -6.136   1.650
  252    HG2  GLU  35           1HG      GLU  35  12.532  -3.249   2.614
  253    HG3  GLU  35           2HG      GLU  35  11.108  -4.269   2.746
  254    H    LYS  36           H        LYS  36  15.910  -4.643  -0.741
  255    HA   LYS  36           HA       LYS  36  15.057  -6.657  -2.689
  256    HB2  LYS  36           1HB      LYS  36  17.476  -4.808  -2.634
  257    HB3  LYS  36           2HB      LYS  36  17.039  -5.891  -3.961
  258    HG2  LYS  36           1HG      LYS  36  14.852  -4.692  -4.208
  259    HG3  LYS  36           2HG      LYS  36  15.332  -3.588  -2.914
  260    HD2  LYS  36           1HD      LYS  36  15.712  -2.487  -5.000
  261    HD3  LYS  36           2HD      LYS  36  17.285  -2.848  -4.274
  262    HE2  LYS  36           1HE      LYS  36  17.514  -4.828  -5.764
  263    HE3  LYS  36           2HE      LYS  36  15.918  -4.503  -6.451
  264    HZ1  LYS  36           3HZ      LYS  36  17.687  -3.616  -7.855
  265    HZ2  LYS  36           1HZ      LYS  36  18.260  -2.683  -6.647
  266    HZ3  LYS  36           2HZ      LYS  36  16.785  -2.383  -7.286
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1 -18.369  -9.807 -12.829
    2    H2   GLY   1           2H       GLY   1 -17.480 -10.914 -12.009
    3    H3   GLY   1           3H       GLY   1 -16.775  -9.979 -13.154
    4    HA2  GLY   1           1HA      GLY   1 -17.895  -9.017 -10.601
    5    HA3  GLY   1           2HA      GLY   1 -16.169  -9.190 -10.966
    6    H    SER   2           H        SER   2 -16.063  -6.895 -10.396
    7    HA   SER   2           HA       SER   2 -16.393  -5.139 -12.750
    8    HB2  SER   2           1HB      SER   2 -17.553  -3.407 -11.546
    9    HB3  SER   2           2HB      SER   2 -18.491  -4.899 -11.404
   10    HG   SER   2           HG       SER   2 -18.322  -3.878  -9.384
   11    H    SER   3           H        SER   3 -15.377  -2.954 -12.327
   12    HA   SER   3           HA       SER   3 -12.702  -3.283 -11.246
   13    HB2  SER   3           1HB      SER   3 -14.031  -0.810 -12.403
   14    HB3  SER   3           2HB      SER   3 -12.293  -1.070 -12.166
   15    HG   SER   3           HG       SER   3 -12.947  -1.501 -14.327
   16    H    GLY   4           H        GLY   4 -15.408  -2.736  -9.491
   17    HA2  GLY   4           1HA      GLY   4 -14.779  -0.411  -7.909
   18    HA3  GLY   4           2HA      GLY   4 -15.951  -1.664  -7.521
   19    H    SER   5           H        SER   5 -14.544  -0.474  -5.539
   20    HA   SER   5           HA       SER   5 -12.967  -2.695  -4.370
   21    HB2  SER   5           1HB      SER   5 -11.146  -1.312  -3.708
   22    HB3  SER   5           2HB      SER   5 -11.377  -1.034  -5.438
   23    HG   SER   5           HG       SER   5 -11.139   0.949  -4.397
   24    H    SER   6           H        SER   6 -12.466  -2.151  -1.974
   25    HA   SER   6           HA       SER   6 -14.922  -1.604  -0.595
   26    HB2  SER   6           1HB      SER   6 -12.304  -1.599   0.847
   27    HB3  SER   6           2HB      SER   6 -13.834  -2.342   1.305
   28    HG   SER   6           HG       SER   6 -13.427  -3.961  -0.276
   29    H    GLY   7           H        GLY   7 -12.906   0.705  -1.920
   30    HA2  GLY   7           1HA      GLY   7 -12.726   2.989  -1.570
   31    HA3  GLY   7           2HA      GLY   7 -13.750   2.868  -0.140
   32    H    LYS   8           H        LYS   8 -10.856   0.899  -0.464
   33    HA   LYS   8           HA       LYS   8  -9.664   1.602   2.008
   34    HB2  LYS   8           1HB      LYS   8  -8.632   0.284  -0.519
   35    HB3  LYS   8           2HB      LYS   8  -7.587   0.536   0.868
   36    HG2  LYS   8           1HG      LYS   8  -8.847  -0.875   2.282
   37    HG3  LYS   8           2HG      LYS   8 -10.254  -0.863   1.215
   38    HD2  LYS   8           1HD      LYS   8  -9.153  -2.229  -0.436
   39    HD3  LYS   8           2HD      LYS   8  -7.589  -2.031   0.349
   40    HE2  LYS   8           1HE      LYS   8  -8.433  -4.257   0.757
   41    HE3  LYS   8           2HE      LYS   8  -8.299  -3.364   2.270
   42    HZ1  LYS   8           3HZ      LYS   8 -10.864  -3.733   0.785
   43    HZ2  LYS   8           1HZ      LYS   8 -10.689  -3.054   2.264
   44    HZ3  LYS   8           2HZ      LYS   8 -10.392  -4.639   2.055
   45    HA   PRO   9           HA       PRO   9  -8.168   5.575   0.615
   46    HB2  PRO   9           1HB      PRO   9  -7.323   6.659   2.964
   47    HB3  PRO   9           2HB      PRO   9  -9.044   6.340   2.606
   48    HG2  PRO   9           1HG      PRO   9  -7.114   4.661   4.202
   49    HG3  PRO   9           2HG      PRO   9  -8.780   5.104   4.643
   50    HD2  PRO   9           1HD      PRO   9  -8.102   2.692   3.491
   51    HD3  PRO   9           2HD      PRO   9  -9.677   3.479   3.234
   52    H    TYR  10           H        TYR  10  -5.932   3.496   2.508
   53    HA   TYR  10           HA       TYR  10  -3.661   5.178   1.819
   54    HB2  TYR  10           1HB      TYR  10  -3.740   2.496   3.237
   55    HB3  TYR  10           2HB      TYR  10  -2.372   3.597   3.157
   56    HD1  TYR  10           2HD      TYR  10  -2.680   5.985   4.144
   57    HD2  TYR  10           1HD      TYR  10  -5.391   2.723   4.919
   58    HE1  TYR  10           2HE      TYR  10  -3.572   7.190   6.138
   59    HE2  TYR  10           1HE      TYR  10  -6.242   3.895   6.926
   60    HH   TYR  10           HH       TYR  10  -6.115   5.782   8.237
   61    H    LYS  11           H        LYS  11  -3.178   5.144  -0.319
   62    HA   LYS  11           HA       LYS  11  -2.944   2.529  -1.749
   63    HB2  LYS  11           1HB      LYS  11  -3.487   5.268  -2.936
   64    HB3  LYS  11           2HB      LYS  11  -3.420   3.720  -3.792
   65    HG2  LYS  11           1HG      LYS  11  -5.326   2.934  -2.276
   66    HG3  LYS  11           2HG      LYS  11  -5.478   4.606  -1.731
   67    HD2  LYS  11           1HD      LYS  11  -5.843   5.325  -4.083
   68    HD3  LYS  11           2HD      LYS  11  -5.764   3.625  -4.602
   69    HE2  LYS  11           1HE      LYS  11  -7.684   3.084  -3.120
   70    HE3  LYS  11           2HE      LYS  11  -7.755   4.763  -2.583
   71    HZ1  LYS  11           3HZ      LYS  11  -8.263   5.411  -4.882
   72    HZ2  LYS  11           1HZ      LYS  11  -9.367   4.336  -4.348
   73    HZ3  LYS  11           2HZ      LYS  11  -8.198   3.855  -5.381
   74    H    CYS  12           H        CYS  12  -1.293   2.081  -3.124
   75    HA   CYS  12           HA       CYS  12   1.294   3.171  -2.477
   76    HB2  CYS  12           1HB      CYS  12   0.968   0.835  -2.992
   77    HB3  CYS  12           2HB      CYS  12   0.384   1.240  -4.614
   78    HA   PRO  13           HA       PRO  13   1.291   6.400  -5.657
   79    HB2  PRO  13           1HB      PRO  13   3.904   7.185  -5.510
   80    HB3  PRO  13           2HB      PRO  13   2.710   7.545  -4.228
   81    HG2  PRO  13           1HG      PRO  13   4.730   5.283  -4.314
   82    HG3  PRO  13           2HG      PRO  13   4.395   6.418  -2.968
   83    HD2  PRO  13           1HD      PRO  13   3.293   3.920  -3.114
   84    HD3  PRO  13           2HD      PRO  13   2.393   5.290  -2.406
   85    H    GLN  14           H        GLN  14   2.935   3.377  -5.813
   86    HA   GLN  14           HA       GLN  14   3.768   3.811  -8.662
   87    HB2  GLN  14           1HB      GLN  14   4.977   2.093  -6.467
   88    HB3  GLN  14           2HB      GLN  14   5.454   2.018  -8.167
   89    HG2  GLN  14           1HG      GLN  14   6.178   4.349  -8.133
   90    HG3  GLN  14           2HG      GLN  14   5.592   4.561  -6.484
   91   HE21  GLN  14          1HE2      GLN  14   7.958   2.546  -8.364
   92   HE22  GLN  14          2HE2      GLN  14   9.092   2.460  -7.023
   93    H    CYS  15           H        CYS  15   1.907   1.721  -6.527
   94    HA   CYS  15           HA       CYS  15   1.264  -0.096  -8.833
   95    HB2  CYS  15           1HB      CYS  15   0.843  -0.734  -5.909
   96    HB3  CYS  15           2HB      CYS  15   0.863  -1.843  -7.277
   97    H    SER  16           H        SER  16  -0.883  -1.202  -8.586
   98    HA   SER  16           HA       SER  16  -3.125   0.612  -8.023
   99    HB2  SER  16           1HB      SER  16  -3.146  -2.342  -8.742
  100    HB3  SER  16           2HB      SER  16  -4.525  -1.232  -8.791
  101    HG   SER  16           HG       SER  16  -3.467  -0.063 -10.440
  102    H    TYR  17           H        TYR  17  -1.154  -0.969  -5.961
  103    HA   TYR  17           HA       TYR  17  -2.779  -2.479  -4.197
  104    HB2  TYR  17           1HB      TYR  17  -0.372  -2.643  -4.178
  105    HB3  TYR  17           2HB      TYR  17  -0.200  -0.938  -3.807
  106    HD1  TYR  17           1HD      TYR  17  -0.680  -0.041  -1.523
  107    HD2  TYR  17           2HD      TYR  17  -0.911  -4.263  -2.424
  108    HE1  TYR  17           1HE      TYR  17  -0.703  -0.561   0.900
  109    HE2  TYR  17           2HE      TYR  17  -0.880  -4.772   0.013
  110    HH   TYR  17           HH       TYR  17  -0.787  -3.914   2.125
  111    H    ALA  18           H        ALA  18  -4.056  -1.997  -2.527
  112    HA   ALA  18           HA       ALA  18  -3.985   0.642  -1.249
  113    HB1  ALA  18           1HB      ALA  18  -6.398   0.949  -1.386
  114    HB2  ALA  18           2HB      ALA  18  -5.731   0.797  -3.024
  115    HB3  ALA  18           3HB      ALA  18  -6.580  -0.579  -2.284
  116    H    SER  19           H        SER  19  -4.622   0.620   0.918
  117    HA   SER  19           HA       SER  19  -5.790  -1.849   2.062
  118    HB2  SER  19           1HB      SER  19  -3.276  -1.993   2.292
  119    HB3  SER  19           2HB      SER  19  -3.354  -0.565   3.341
  120    HG   SER  19           HG       SER  19  -4.733  -3.054   3.717
  121    H    ALA  20           H        ALA  20  -6.592  -1.591   4.237
  122    HA   ALA  20           HA       ALA  20  -7.785   1.053   4.793
  123    HB1  ALA  20           1HB      ALA  20  -9.190  -0.975   4.840
  124    HB2  ALA  20           2HB      ALA  20  -8.157  -1.665   6.115
  125    HB3  ALA  20           3HB      ALA  20  -9.112  -0.202   6.432
  126    H    ILE  21           H        ILE  21  -4.864  -0.437   5.539
  127    HA   ILE  21           HA       ILE  21  -4.573   1.036   8.132
  128    HB   ILE  21           HB       ILE  21  -3.334  -1.625   7.348
  129   HG12  ILE  21          1HG1      ILE  21  -5.544  -1.037   9.369
  130   HG13  ILE  21          2HG1      ILE  21  -5.755  -1.858   7.823
  131   HG21  ILE  21          1HG2      ILE  21  -3.227  -0.095   9.994
  132   HG22  ILE  21          2HG2      ILE  21  -2.465  -1.664   9.661
  133   HG23  ILE  21          3HG2      ILE  21  -1.886  -0.237   8.839
  134   HD11  ILE  21          3HD1      ILE  21  -5.724  -3.543   9.488
  135   HD12  ILE  21          1HD1      ILE  21  -4.192  -3.664   8.598
  136   HD13  ILE  21          2HD1      ILE  21  -4.239  -2.926  10.220
  137    H    LYS  22           H        LYS  22  -3.104   2.595   8.081
  138    HA   LYS  22           HA       LYS  22  -1.493   3.229   5.828
  139    HB2  LYS  22           1HB      LYS  22  -2.381   4.756   7.655
  140    HB3  LYS  22           2HB      LYS  22  -1.079   4.180   8.698
  141    HG2  LYS  22           1HG      LYS  22   0.599   5.038   7.088
  142    HG3  LYS  22           2HG      LYS  22  -0.698   5.534   5.984
  143    HD2  LYS  22           1HD      LYS  22  -1.595   7.043   7.774
  144    HD3  LYS  22           2HD      LYS  22  -0.221   6.627   8.800
  145    HE2  LYS  22           1HE      LYS  22  -0.027   7.913   6.033
  146    HE3  LYS  22           2HE      LYS  22  -0.024   8.811   7.551
  147    HZ1  LYS  22           3HZ      LYS  22   2.033   6.821   6.759
  148    HZ2  LYS  22           1HZ      LYS  22   2.009   7.624   8.186
  149    HZ3  LYS  22           2HZ      LYS  22   2.229   8.438   6.791
  150    H    ALA  23           H        ALA  23  -0.609   1.513   8.811
  151    HA   ALA  23           HA       ALA  23   2.188   1.302   8.293
  152    HB1  ALA  23           1HB      ALA  23   0.349  -0.527   9.878
  153    HB2  ALA  23           2HB      ALA  23   2.120  -0.442  10.006
  154    HB3  ALA  23           3HB      ALA  23   1.136   0.955  10.489
  155    H    ASN  24           H        ASN  24  -0.536  -0.619   7.024
  156    HA   ASN  24           HA       ASN  24   1.112  -2.793   6.049
  157    HB2  ASN  24           1HB      ASN  24  -1.428  -2.744   6.547
  158    HB3  ASN  24           2HB      ASN  24  -1.606  -1.933   4.992
  159   HD21  ASN  24          1HD2      ASN  24  -2.968  -3.805   4.562
  160   HD22  ASN  24          2HD2      ASN  24  -2.228  -5.334   4.073
  161    H    LEU  25           H        LEU  25  -0.104   0.272   4.640
  162    HA   LEU  25           HA       LEU  25   1.179  -0.015   2.082
  163    HB2  LEU  25           1HB      LEU  25  -0.633   1.566   2.413
  164    HB3  LEU  25           2HB      LEU  25   0.264   2.413   3.674
  165    HG   LEU  25           HG       LEU  25   1.959   3.147   2.032
  166   HD11  LEU  25          1HD1      LEU  25   1.554   2.840  -0.378
  167   HD12  LEU  25          2HD1      LEU  25   0.165   1.779  -0.019
  168   HD13  LEU  25          3HD1      LEU  25   1.819   1.289   0.405
  169   HD21  LEU  25          3HD2      LEU  25   0.566   4.733   0.820
  170   HD22  LEU  25          1HD2      LEU  25  -0.012   4.550   2.485
  171   HD23  LEU  25          2HD2      LEU  25  -0.874   3.751   1.151
  172    H    ASN  26           H        ASN  26   2.281   1.410   5.208
  173    HA   ASN  26           HA       ASN  26   4.816   2.321   4.350
  174    HB2  ASN  26           1HB      ASN  26   3.665   2.755   6.530
  175    HB3  ASN  26           2HB      ASN  26   4.089   1.126   7.050
  176   HD21  ASN  26          1HD2      ASN  26   4.838   3.888   8.061
  177   HD22  ASN  26          2HD2      ASN  26   6.590   3.813   8.149
  178    H    VAL  27           H        VAL  27   3.986  -0.980   5.602
  179    HA   VAL  27           HA       VAL  27   6.559  -2.137   5.071
  180    HB   VAL  27           HB       VAL  27   3.797  -3.372   5.262
  181   HG11  VAL  27          1HG1      VAL  27   6.500  -4.780   5.168
  182   HG12  VAL  27          2HG1      VAL  27   4.972  -5.539   5.668
  183   HG13  VAL  27          3HG1      VAL  27   5.160  -4.969   4.012
  184   HG21  VAL  27          3HG2      VAL  27   4.706  -2.310   7.340
  185   HG22  VAL  27          1HG2      VAL  27   4.573  -4.065   7.494
  186   HG23  VAL  27          2HG2      VAL  27   6.159  -3.316   7.196
  187    H    HIS  28           H        HIS  28   3.678  -1.828   2.933
  188    HA   HIS  28           HA       HIS  28   4.791  -3.299   0.776
  189    HB2  HIS  28           1HB      HIS  28   2.422  -2.720   0.922
  190    HB3  HIS  28           2HB      HIS  28   2.789  -1.007   0.795
  191    HD1  HIS  28           1HD      HIS  28   2.565  -4.123  -1.418
  192    HD2  HIS  28           2HD      HIS  28   3.371  -0.004  -1.605
  193    HE1  HIS  28           1HE      HIS  28   2.617  -3.541  -3.889
  194    H    LEU  29           H        LEU  29   5.095   0.175   1.587
  195    HA   LEU  29           HA       LEU  29   6.691   0.901  -0.714
  196    HB2  LEU  29           1HB      LEU  29   6.436   2.121   2.034
  197    HB3  LEU  29           2HB      LEU  29   7.344   2.874   0.732
  198    HG   LEU  29           HG       LEU  29   4.447   2.142   0.333
  199   HD11  LEU  29          1HD1      LEU  29   5.727   4.613   1.587
  200   HD12  LEU  29          2HD1      LEU  29   4.656   3.462   2.398
  201   HD13  LEU  29          3HD1      LEU  29   3.998   4.516   1.121
  202   HD21  LEU  29          3HD2      LEU  29   4.504   4.082  -1.217
  203   HD22  LEU  29          1HD2      LEU  29   5.599   2.797  -1.714
  204   HD23  LEU  29          2HD2      LEU  29   6.246   4.256  -0.926
  205    H    ARG  30           H        ARG  30   7.573  -0.451   2.468
  206    HA   ARG  30           HA       ARG  30  10.318   0.157   2.293
  207    HB2  ARG  30           1HB      ARG  30   8.909  -2.193   3.629
  208    HB3  ARG  30           2HB      ARG  30  10.646  -1.936   3.779
  209    HG2  ARG  30           1HG      ARG  30  10.362   0.182   4.885
  210    HG3  ARG  30           2HG      ARG  30   8.638   0.195   4.558
  211    HD2  ARG  30           1HD      ARG  30   8.558  -2.040   5.909
  212    HD3  ARG  30           2HD      ARG  30  10.177  -1.578   6.468
  213    HE   ARG  30           HE       ARG  30   8.120   0.517   6.721
  214   HH11  ARG  30          1HH1      ARG  30   9.510  -2.205   8.458
  215   HH12  ARG  30          2HH1      ARG  30   8.936  -1.610   9.992
  216   HH21  ARG  30          2HH2      ARG  30   7.463   1.196   8.628
  217   HH22  ARG  30          1HH2      ARG  30   7.795   0.299  10.096
  218    H    LYS  31           H        LYS  31   8.480  -2.099   0.468
  219    HA   LYS  31           HA       LYS  31  10.747  -3.645  -0.618
  220    HB2  LYS  31           1HB      LYS  31   7.851  -3.508  -1.552
  221    HB3  LYS  31           2HB      LYS  31   9.070  -4.672  -2.062
  222    HG2  LYS  31           1HG      LYS  31   9.222  -5.566   0.237
  223    HG3  LYS  31           2HG      LYS  31   8.002  -4.402   0.787
  224    HD2  LYS  31           1HD      LYS  31   6.366  -5.352  -0.822
  225    HD3  LYS  31           2HD      LYS  31   7.544  -6.580  -1.302
  226    HE2  LYS  31           1HE      LYS  31   6.479  -6.176   1.536
  227    HE3  LYS  31           2HE      LYS  31   5.819  -7.335   0.381
  228    HZ1  LYS  31           3HZ      LYS  31   7.397  -8.415   1.850
  229    HZ2  LYS  31           1HZ      LYS  31   8.596  -7.393   1.435
  230    HZ3  LYS  31           2HZ      LYS  31   7.993  -8.441   0.334
  231    H    HIS  32           H        HIS  32   8.945  -0.696  -1.486
  232    HA   HIS  32           HA       HIS  32  10.211  -0.521  -4.135
  233    HB2  HIS  32           1HB      HIS  32   8.552   1.418  -2.485
  234    HB3  HIS  32           2HB      HIS  32   9.197   1.777  -4.084
  235    HD1  HIS  32           1HD      HIS  32   8.475  -0.582  -5.843
  236    HD2  HIS  32           2HD      HIS  32   6.021   0.878  -2.757
  237    HE1  HIS  32           1HE      HIS  32   6.132  -1.351  -6.406
  238    H    THR  33           H        THR  33  10.822   0.892  -0.890
  239    HA   THR  33           HA       THR  33  13.571   1.535  -1.758
  240    HB   THR  33           HB       THR  33  12.327   3.551  -2.339
  241    HG1  THR  33           1HG      THR  33  13.693   4.937  -1.250
  242   HG21  THR  33          3HG2      THR  33  11.365   5.032  -0.675
  243   HG22  THR  33          1HG2      THR  33  11.727   3.886   0.632
  244   HG23  THR  33          2HG2      THR  33  10.522   3.477  -0.608
  245    H    GLY  34           H        GLY  34  15.072   1.660  -0.186
  246    HA2  GLY  34           1HA      GLY  34  14.483   1.725   2.664
  247    HA3  GLY  34           2HA      GLY  34  15.011   0.131   2.100
  248    H    GLU  35           H        GLU  35  16.159   3.184   0.705
  249    HA   GLU  35           HA       GLU  35  18.908   2.267   0.969
  250    HB2  GLU  35           1HB      GLU  35  17.843   4.862  -0.201
  251    HB3  GLU  35           2HB      GLU  35  19.455   4.190  -0.426
  252    HG2  GLU  35           1HG      GLU  35  16.828   3.056  -1.469
  253    HG3  GLU  35           2HG      GLU  35  18.113   3.796  -2.408
  254    H    LYS  36           H        LYS  36  20.689   3.471   1.749
  255    HA   LYS  36           HA       LYS  36  20.284   5.626   3.707
  256    HB2  LYS  36           1HB      LYS  36  21.462   4.471   5.500
  257    HB3  LYS  36           2HB      LYS  36  19.964   3.646   5.074
  258    HG2  LYS  36           1HG      LYS  36  21.267   1.938   3.796
  259    HG3  LYS  36           2HG      LYS  36  22.762   2.796   4.188
  260    HD2  LYS  36           1HD      LYS  36  22.550   0.907   5.654
  261    HD3  LYS  36           2HD      LYS  36  22.365   2.386   6.607
  262    HE2  LYS  36           1HE      LYS  36  19.895   2.101   6.571
  263    HE3  LYS  36           2HE      LYS  36  20.070   0.652   5.570
  264    HZ1  LYS  36           3HZ      LYS  36  19.806   0.088   7.918
  265    HZ2  LYS  36           1HZ      LYS  36  21.125   0.953   8.335
  266    HZ3  LYS  36           2HZ      LYS  36  21.282  -0.388   7.413
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  -6.207 -12.169  -8.988
    2    H2   GLY   1           2H       GLY   1  -6.920 -13.213  -7.945
    3    H3   GLY   1           3H       GLY   1  -5.554 -12.420  -7.508
    4    HA2  GLY   1           1HA      GLY   1  -8.165 -11.156  -8.031
    5    HA3  GLY   1           2HA      GLY   1  -7.474 -11.444  -6.425
    6    H    SER   2           H        SER   2  -8.257  -8.896  -7.592
    7    HA   SER   2           HA       SER   2  -6.006  -7.388  -8.505
    8    HB2  SER   2           1HB      SER   2  -8.541  -6.413  -7.135
    9    HB3  SER   2           2HB      SER   2  -7.416  -5.431  -8.093
   10    HG   SER   2           HG       SER   2  -9.229  -6.138  -9.327
   11    H    SER   3           H        SER   3  -4.690  -5.865  -7.495
   12    HA   SER   3           HA       SER   3  -3.765  -6.509  -4.878
   13    HB2  SER   3           1HB      SER   3  -3.126  -4.052  -6.547
   14    HB3  SER   3           2HB      SER   3  -2.150  -4.733  -5.231
   15    HG   SER   3           HG       SER   3  -1.379  -5.400  -7.286
   16    H    GLY   4           H        GLY   4  -6.293  -4.326  -5.763
   17    HA2  GLY   4           1HA      GLY   4  -6.990  -3.633  -3.108
   18    HA3  GLY   4           2HA      GLY   4  -6.037  -2.308  -3.786
   19    H    SER   5           H        SER   5  -8.348  -1.510  -3.100
   20    HA   SER   5           HA       SER   5  -9.920  -1.097  -5.596
   21    HB2  SER   5           1HB      SER   5 -11.097  -1.583  -2.828
   22    HB3  SER   5           2HB      SER   5 -12.002  -1.093  -4.273
   23    HG   SER   5           HG       SER   5 -12.094  -3.362  -3.920
   24    H    SER   6           H        SER   6 -10.646   1.003  -5.877
   25    HA   SER   6           HA       SER   6  -9.033   3.015  -4.891
   26    HB2  SER   6           1HB      SER   6 -11.809   3.358  -6.085
   27    HB3  SER   6           2HB      SER   6 -10.507   4.564  -6.066
   28    HG   SER   6           HG       SER   6 -10.605   3.420  -8.061
   29    H    GLY   7           H        GLY   7 -12.037   1.956  -3.409
   30    HA2  GLY   7           1HA      GLY   7 -12.571   4.308  -1.822
   31    HA3  GLY   7           2HA      GLY   7 -13.237   2.691  -1.588
   32    H    LYS   8           H        LYS   8 -10.229   1.751  -1.384
   33    HA   LYS   8           HA       LYS   8  -9.889   2.130   1.524
   34    HB2  LYS   8           1HB      LYS   8  -8.390   0.622  -0.629
   35    HB3  LYS   8           2HB      LYS   8  -7.707   0.852   0.976
   36    HG2  LYS   8           1HG      LYS   8  -9.610  -0.249   2.029
   37    HG3  LYS   8           2HG      LYS   8 -10.441  -0.383   0.469
   38    HD2  LYS   8           1HD      LYS   8  -8.638  -1.860  -0.378
   39    HD3  LYS   8           2HD      LYS   8  -7.791  -1.721   1.177
   40    HE2  LYS   8           1HE      LYS   8  -9.748  -2.711   2.338
   41    HE3  LYS   8           2HE      LYS   8 -10.607  -2.836   0.799
   42    HZ1  LYS   8           3HZ      LYS   8  -8.070  -4.254   1.441
   43    HZ2  LYS   8           1HZ      LYS   8  -8.888  -4.379   0.029
   44    HZ3  LYS   8           2HZ      LYS   8  -9.551  -4.939   1.408
   45    HA   PRO   9           HA       PRO   9  -7.864   5.944   0.731
   46    HB2  PRO   9           1HB      PRO   9  -6.980   6.664   3.214
   47    HB3  PRO   9           2HB      PRO   9  -8.703   6.589   2.761
   48    HG2  PRO   9           1HG      PRO   9  -7.070   4.524   4.227
   49    HG3  PRO   9           2HG      PRO   9  -8.695   5.115   4.641
   50    HD2  PRO   9           1HD      PRO   9  -8.237   2.770   3.255
   51    HD3  PRO   9           2HD      PRO   9  -9.677   3.775   3.014
   52    H    TYR  10           H        TYR  10  -5.835   3.554   2.525
   53    HA   TYR  10           HA       TYR  10  -3.430   5.073   1.916
   54    HB2  TYR  10           1HB      TYR  10  -3.733   2.380   3.272
   55    HB3  TYR  10           2HB      TYR  10  -2.280   3.365   3.205
   56    HD1  TYR  10           2HD      TYR  10  -2.281   5.671   4.306
   57    HD2  TYR  10           1HD      TYR  10  -5.477   2.830   4.871
   58    HE1  TYR  10           2HE      TYR  10  -3.057   6.933   6.307
   59    HE2  TYR  10           1HE      TYR  10  -6.202   4.043   6.905
   60    HH   TYR  10           HH       TYR  10  -4.575   7.039   8.025
   61    H    LYS  11           H        LYS  11  -3.098   5.093  -0.223
   62    HA   LYS  11           HA       LYS  11  -2.938   2.540  -1.779
   63    HB2  LYS  11           1HB      LYS  11  -3.788   5.359  -2.497
   64    HB3  LYS  11           2HB      LYS  11  -3.322   4.191  -3.744
   65    HG2  LYS  11           1HG      LYS  11  -5.002   2.654  -3.149
   66    HG3  LYS  11           2HG      LYS  11  -5.398   3.475  -1.640
   67    HD2  LYS  11           1HD      LYS  11  -5.907   4.643  -4.410
   68    HD3  LYS  11           2HD      LYS  11  -7.087   3.736  -3.446
   69    HE2  LYS  11           1HE      LYS  11  -6.710   5.414  -1.571
   70    HE3  LYS  11           2HE      LYS  11  -5.797   6.400  -2.721
   71    HZ1  LYS  11           3HZ      LYS  11  -8.130   7.077  -2.623
   72    HZ2  LYS  11           1HZ      LYS  11  -8.650   5.577  -3.017
   73    HZ3  LYS  11           2HZ      LYS  11  -7.821   6.479  -4.110
   74    H    CYS  12           H        CYS  12  -1.312   2.069  -3.112
   75    HA   CYS  12           HA       CYS  12   1.280   3.126  -2.465
   76    HB2  CYS  12           1HB      CYS  12   0.933   0.796  -2.925
   77    HB3  CYS  12           2HB      CYS  12   0.341   1.159  -4.558
   78    HA   PRO  13           HA       PRO  13   1.428   6.284  -5.701
   79    HB2  PRO  13           1HB      PRO  13   4.063   6.992  -5.538
   80    HB3  PRO  13           2HB      PRO  13   2.867   7.403  -4.273
   81    HG2  PRO  13           1HG      PRO  13   4.816   5.077  -4.317
   82    HG3  PRO  13           2HG      PRO  13   4.508   6.238  -2.986
   83    HD2  PRO  13           1HD      PRO  13   3.325   3.780  -3.106
   84    HD3  PRO  13           2HD      PRO  13   2.460   5.190  -2.433
   85    H    GLN  14           H        GLN  14   2.954   3.194  -5.848
   86    HA   GLN  14           HA       GLN  14   3.709   3.614  -8.725
   87    HB2  GLN  14           1HB      GLN  14   5.005   1.781  -6.678
   88    HB3  GLN  14           2HB      GLN  14   5.388   1.848  -8.405
   89    HG2  GLN  14           1HG      GLN  14   5.993   4.288  -8.112
   90    HG3  GLN  14           2HG      GLN  14   5.767   4.088  -6.373
   91   HE21  GLN  14          1HE2      GLN  14   8.101   4.874  -6.392
   92   HE22  GLN  14          2HE2      GLN  14   9.341   3.646  -6.606
   93    H    CYS  15           H        CYS  15   1.905   1.545  -6.517
   94    HA   CYS  15           HA       CYS  15   1.229  -0.302  -8.785
   95    HB2  CYS  15           1HB      CYS  15   0.836  -0.892  -5.850
   96    HB3  CYS  15           2HB      CYS  15   0.875  -2.024  -7.199
   97    H    SER  16           H        SER  16  -0.899  -1.448  -8.442
   98    HA   SER  16           HA       SER  16  -3.151   0.399  -7.883
   99    HB2  SER  16           1HB      SER  16  -3.134  -2.496  -8.817
  100    HB3  SER  16           2HB      SER  16  -4.572  -1.475  -8.632
  101    HG   SER  16           HG       SER  16  -2.362  -0.962 -10.371
  102    H    TYR  17           H        TYR  17  -1.167  -1.029  -5.857
  103    HA   TYR  17           HA       TYR  17  -2.732  -2.617  -4.067
  104    HB2  TYR  17           1HB      TYR  17  -0.322  -2.741  -4.098
  105    HB3  TYR  17           2HB      TYR  17  -0.177  -1.033  -3.723
  106    HD1  TYR  17           1HD      TYR  17  -0.656  -0.154  -1.441
  107    HD2  TYR  17           2HD      TYR  17  -0.843  -4.376  -2.353
  108    HE1  TYR  17           1HE      TYR  17  -0.682  -0.681   0.982
  109    HE2  TYR  17           2HE      TYR  17  -0.800  -4.892   0.083
  110    HH   TYR  17           HH       TYR  17  -0.708  -4.036   2.197
  111    H    ALA  18           H        ALA  18  -4.052  -2.106  -2.421
  112    HA   ALA  18           HA       ALA  18  -4.034   0.597  -1.267
  113    HB1  ALA  18           1HB      ALA  18  -6.657  -0.610  -2.199
  114    HB2  ALA  18           2HB      ALA  18  -6.341   1.033  -1.597
  115    HB3  ALA  18           3HB      ALA  18  -5.724   0.536  -3.183
  116    H    SER  19           H        SER  19  -4.642   0.701   0.841
  117    HA   SER  19           HA       SER  19  -5.618  -1.747   2.255
  118    HB2  SER  19           1HB      SER  19  -3.173  -1.637   2.437
  119    HB3  SER  19           2HB      SER  19  -3.283   0.024   3.052
  120    HG   SER  19           HG       SER  19  -3.313  -1.021   4.880
  121    H    ALA  20           H        ALA  20  -6.654  -1.396   4.224
  122    HA   ALA  20           HA       ALA  20  -7.871   1.266   4.688
  123    HB1  ALA  20           1HB      ALA  20  -9.324  -0.713   4.614
  124    HB2  ALA  20           2HB      ALA  20  -8.409  -1.448   5.954
  125    HB3  ALA  20           3HB      ALA  20  -9.343   0.041   6.217
  126    H    ILE  21           H        ILE  21  -5.054  -0.252   5.579
  127    HA   ILE  21           HA       ILE  21  -4.792   1.222   8.172
  128    HB   ILE  21           HB       ILE  21  -3.643  -1.520   7.519
  129   HG12  ILE  21          1HG1      ILE  21  -5.936  -0.835   9.414
  130   HG13  ILE  21          2HG1      ILE  21  -6.099  -1.656   7.860
  131   HG21  ILE  21          1HG2      ILE  21  -3.625   0.076  10.128
  132   HG22  ILE  21          2HG2      ILE  21  -2.922  -1.537   9.886
  133   HG23  ILE  21          3HG2      ILE  21  -2.224  -0.169   9.059
  134   HD11  ILE  21          3HD1      ILE  21  -6.187  -3.349   9.507
  135   HD12  ILE  21          1HD1      ILE  21  -4.603  -3.492   8.713
  136   HD13  ILE  21          2HD1      ILE  21  -4.738  -2.758  10.331
  137    H    LYS  22           H        LYS  22  -3.098   2.565   8.249
  138    HA   LYS  22           HA       LYS  22  -1.439   3.124   6.015
  139    HB2  LYS  22           1HB      LYS  22  -2.156   4.669   7.901
  140    HB3  LYS  22           2HB      LYS  22  -0.937   3.908   8.922
  141    HG2  LYS  22           1HG      LYS  22   0.843   4.630   7.347
  142    HG3  LYS  22           2HG      LYS  22  -0.384   5.326   6.270
  143    HD2  LYS  22           1HD      LYS  22  -1.063   6.900   8.073
  144    HD3  LYS  22           2HD      LYS  22   0.173   6.200   9.142
  145    HE2  LYS  22           1HE      LYS  22   1.939   6.855   7.514
  146    HE3  LYS  22           2HE      LYS  22   0.707   7.553   6.456
  147    HZ1  LYS  22           3HZ      LYS  22   1.744   9.253   7.845
  148    HZ2  LYS  22           1HZ      LYS  22   1.305   8.487   9.215
  149    HZ3  LYS  22           2HZ      LYS  22   0.166   9.132   8.235
  150    H    ALA  23           H        ALA  23  -0.663   1.264   8.956
  151    HA   ALA  23           HA       ALA  23   2.114   0.960   8.472
  152    HB1  ALA  23           1HB      ALA  23   1.017   0.576  10.631
  153    HB2  ALA  23           2HB      ALA  23   0.188  -0.859   9.964
  154    HB3  ALA  23           3HB      ALA  23   1.960  -0.840  10.127
  155    H    ASN  24           H        ASN  24  -0.625  -0.912   7.192
  156    HA   ASN  24           HA       ASN  24   0.882  -3.093   6.084
  157    HB2  ASN  24           1HB      ASN  24  -1.693  -2.733   6.514
  158    HB3  ASN  24           2HB      ASN  24  -1.650  -1.896   4.962
  159   HD21  ASN  24          1HD2      ASN  24  -3.269  -3.513   4.409
  160   HD22  ASN  24          2HD2      ASN  24  -2.735  -5.121   3.919
  161    H    LEU  25           H        LEU  25  -0.144   0.088   4.746
  162    HA   LEU  25           HA       LEU  25   1.154  -0.201   2.195
  163    HB2  LEU  25           1HB      LEU  25  -0.657   1.408   2.548
  164    HB3  LEU  25           2HB      LEU  25   0.284   2.251   3.779
  165    HG   LEU  25           HG       LEU  25   1.982   2.875   2.065
  166   HD11  LEU  25          1HD1      LEU  25   1.434   2.608  -0.326
  167   HD12  LEU  25          2HD1      LEU  25   0.001   1.641   0.109
  168   HD13  LEU  25          3HD1      LEU  25   1.640   1.039   0.450
  169   HD21  LEU  25          3HD2      LEU  25  -0.826   3.688   1.299
  170   HD22  LEU  25          1HD2      LEU  25   0.671   4.562   0.930
  171   HD23  LEU  25          2HD2      LEU  25   0.133   4.406   2.613
  172    H    ASN  26           H        ASN  26   2.238   1.190   5.332
  173    HA   ASN  26           HA       ASN  26   4.773   2.132   4.526
  174    HB2  ASN  26           1HB      ASN  26   3.659   2.541   6.689
  175    HB3  ASN  26           2HB      ASN  26   3.934   0.869   7.160
  176   HD21  ASN  26          1HD2      ASN  26   4.839   3.497   8.340
  177   HD22  ASN  26          2HD2      ASN  26   6.571   3.265   8.517
  178    H    VAL  27           H        VAL  27   3.960  -1.216   5.671
  179    HA   VAL  27           HA       VAL  27   6.550  -2.325   5.139
  180    HB   VAL  27           HB       VAL  27   3.806  -3.607   5.255
  181   HG11  VAL  27          1HG1      VAL  27   5.217  -5.130   3.955
  182   HG12  VAL  27          2HG1      VAL  27   6.535  -4.962   5.140
  183   HG13  VAL  27          3HG1      VAL  27   5.013  -5.768   5.586
  184   HG21  VAL  27          3HG2      VAL  27   6.144  -3.573   7.218
  185   HG22  VAL  27          1HG2      VAL  27   4.666  -2.603   7.376
  186   HG23  VAL  27          2HG2      VAL  27   4.570  -4.364   7.469
  187    H    HIS  28           H        HIS  28   3.685  -2.007   2.982
  188    HA   HIS  28           HA       HIS  28   4.834  -3.403   0.789
  189    HB2  HIS  28           1HB      HIS  28   2.450  -2.881   0.965
  190    HB3  HIS  28           2HB      HIS  28   2.778  -1.159   0.860
  191    HD1  HIS  28           1HD      HIS  28   2.650  -4.254  -1.390
  192    HD2  HIS  28           2HD      HIS  28   3.298  -0.105  -1.528
  193    HE1  HIS  28           1HE      HIS  28   2.677  -3.644  -3.854
  194    H    LEU  29           H        LEU  29   5.060   0.054   1.683
  195    HA   LEU  29           HA       LEU  29   6.558   0.891  -0.640
  196    HB2  LEU  29           1HB      LEU  29   6.315   2.041   2.140
  197    HB3  LEU  29           2HB      LEU  29   7.158   2.864   0.830
  198    HG   LEU  29           HG       LEU  29   4.294   2.002   0.491
  199   HD11  LEU  29          1HD1      LEU  29   5.504   4.513   1.736
  200   HD12  LEU  29          2HD1      LEU  29   4.502   3.311   2.562
  201   HD13  LEU  29          3HD1      LEU  29   3.769   4.354   1.314
  202   HD21  LEU  29          3HD2      LEU  29   5.957   4.202  -0.802
  203   HD22  LEU  29          1HD2      LEU  29   4.214   3.960  -1.030
  204   HD23  LEU  29          2HD2      LEU  29   5.339   2.726  -1.583
  205    H    ARG  30           H        ARG  30   7.613  -0.504   2.454
  206    HA   ARG  30           HA       ARG  30  10.302   0.296   2.304
  207    HB2  ARG  30           1HB      ARG  30   9.114  -2.311   3.352
  208    HB3  ARG  30           2HB      ARG  30  10.817  -1.905   3.555
  209    HG2  ARG  30           1HG      ARG  30  10.340  -0.001   4.927
  210    HG3  ARG  30           2HG      ARG  30   8.631  -0.050   4.527
  211    HD2  ARG  30           1HD      ARG  30   8.653  -2.441   5.589
  212    HD3  ARG  30           2HD      ARG  30  10.202  -1.936   6.291
  213    HE   ARG  30           HE       ARG  30   8.057   0.013   6.698
  214   HH11  ARG  30          2HH1      ARG  30   9.312  -2.966   8.085
  215   HH12  ARG  30          1HH1      ARG  30   8.568  -2.642   9.627
  216   HH21  ARG  30          2HH2      ARG  30   7.193   0.354   8.604
  217   HH22  ARG  30          1HH2      ARG  30   7.385  -0.777   9.932
  218    H    LYS  31           H        LYS  31   8.622  -2.020   0.369
  219    HA   LYS  31           HA       LYS  31  10.952  -3.290  -0.885
  220    HB2  LYS  31           1HB      LYS  31   8.016  -3.283  -1.704
  221    HB3  LYS  31           2HB      LYS  31   9.279  -4.328  -2.351
  222    HG2  LYS  31           1HG      LYS  31   9.602  -5.374  -0.142
  223    HG3  LYS  31           2HG      LYS  31   8.364  -4.320   0.568
  224    HD2  LYS  31           1HD      LYS  31   6.645  -5.276  -0.903
  225    HD3  LYS  31           2HD      LYS  31   7.865  -6.322  -1.672
  226    HE2  LYS  31           1HE      LYS  31   8.345  -7.350   0.555
  227    HE3  LYS  31           2HE      LYS  31   7.089  -6.339   1.284
  228    HZ1  LYS  31           3HZ      LYS  31   6.247  -8.553   0.738
  229    HZ2  LYS  31           1HZ      LYS  31   6.629  -8.376  -0.836
  230    HZ3  LYS  31           2HZ      LYS  31   5.462  -7.446  -0.168
  231    H    HIS  32           H        HIS  32   8.959  -0.421  -1.510
  232    HA   HIS  32           HA       HIS  32  10.157   0.024  -4.166
  233    HB2  HIS  32           1HB      HIS  32   8.314   1.658  -2.391
  234    HB3  HIS  32           2HB      HIS  32   8.880   2.182  -3.981
  235    HD1  HIS  32           1HD      HIS  32   8.397  -0.112  -5.870
  236    HD2  HIS  32           2HD      HIS  32   5.865   0.816  -2.647
  237    HE1  HIS  32           1HE      HIS  32   6.186  -1.219  -6.400
  238    H    THR  33           H        THR  33  10.676   1.254  -0.823
  239    HA   THR  33           HA       THR  33  12.661   3.208  -1.709
  240    HB   THR  33           HB       THR  33  13.087   3.557   0.687
  241    HG1  THR  33           1HG      THR  33  11.849   2.468   2.179
  242   HG21  THR  33          3HG2      THR  33  10.905   4.485   1.269
  243   HG22  THR  33          1HG2      THR  33  10.106   3.490   0.034
  244   HG23  THR  33          2HG2      THR  33  11.237   4.776  -0.446
  245    H    GLY  34           H        GLY  34  12.843  -0.062  -0.279
  246    HA2  GLY  34           1HA      GLY  34  14.512  -1.641  -0.421
  247    HA3  GLY  34           2HA      GLY  34  15.314  -0.629  -1.616
  248    H    GLU  35           H        GLU  35  17.270  -1.430  -0.659
  249    HA   GLU  35           HA       GLU  35  18.053  -0.238   1.971
  250    HB2  GLU  35           1HB      GLU  35  19.150  -2.662   0.501
  251    HB3  GLU  35           2HB      GLU  35  19.748  -2.039   2.043
  252    HG2  GLU  35           1HG      GLU  35  17.503  -2.410   3.061
  253    HG3  GLU  35           2HG      GLU  35  16.949  -3.135   1.549
  254    H    LYS  36           H        LYS  36  18.363   0.630  -1.118
  255    HA   LYS  36           HA       LYS  36  20.899   2.079  -0.708
  256    HB2  LYS  36           1HB      LYS  36  21.565  -0.055  -1.794
  257    HB3  LYS  36           2HB      LYS  36  20.410   0.237  -3.091
  258    HG2  LYS  36           1HG      LYS  36  22.644   0.766  -3.842
  259    HG3  LYS  36           2HG      LYS  36  21.680   2.240  -3.795
  260    HD2  LYS  36           1HD      LYS  36  22.781   2.881  -1.637
  261    HD3  LYS  36           2HD      LYS  36  23.671   1.355  -1.655
  262    HE2  LYS  36           1HE      LYS  36  25.163   3.051  -2.420
  263    HE3  LYS  36           2HE      LYS  36  24.754   2.041  -3.808
  264    HZ1  LYS  36           3HZ      LYS  36  23.523   4.683  -3.200
  265    HZ2  LYS  36           1HZ      LYS  36  23.181   3.769  -4.512
  266    HZ3  LYS  36           2HZ      LYS  36  24.664   4.422  -4.337
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -17.878  -2.270  -5.895
    2    H2   GLY   1           2H       GLY   1 -17.646  -3.865  -5.618
    3    H3   GLY   1           3H       GLY   1 -18.513  -2.966  -4.554
    4    HA2  GLY   1           1HA      GLY   1 -19.301  -3.555  -7.337
    5    HA3  GLY   1           2HA      GLY   1 -19.982  -4.345  -5.903
    6    H    SER   2           H        SER   2 -21.648  -3.339  -4.800
    7    HA   SER   2           HA       SER   2 -23.053  -1.138  -5.922
    8    HB2  SER   2           1HB      SER   2 -23.157  -2.203  -3.074
    9    HB3  SER   2           2HB      SER   2 -24.374  -1.176  -3.860
   10    HG   SER   2           HG       SER   2 -24.935  -3.408  -3.944
   11    H    SER   3           H        SER   3 -23.097   1.026  -5.501
   12    HA   SER   3           HA       SER   3 -22.204   3.061  -5.145
   13    HB2  SER   3           1HB      SER   3 -21.602   2.061  -2.350
   14    HB3  SER   3           2HB      SER   3 -21.701   3.752  -2.874
   15    HG   SER   3           HG       SER   3 -23.667   3.017  -1.937
   16    H    GLY   4           H        GLY   4 -20.400   1.121  -6.328
   17    HA2  GLY   4           1HA      GLY   4 -18.362   1.577  -7.403
   18    HA3  GLY   4           2HA      GLY   4 -17.922   2.722  -6.146
   19    H    SER   5           H        SER   5 -15.861   1.569  -6.544
   20    HA   SER   5           HA       SER   5 -15.416  -0.724  -4.697
   21    HB2  SER   5           1HB      SER   5 -14.569  -0.636  -7.623
   22    HB3  SER   5           2HB      SER   5 -14.023  -1.839  -6.442
   23    HG   SER   5           HG       SER   5 -15.812  -2.530  -7.749
   24    H    SER   6           H        SER   6 -13.093  -1.125  -4.329
   25    HA   SER   6           HA       SER   6 -11.069  -0.464  -3.576
   26    HB2  SER   6           1HB      SER   6 -10.960   1.037  -6.204
   27    HB3  SER   6           2HB      SER   6  -9.578   0.515  -5.221
   28    HG   SER   6           HG       SER   6 -10.057  -0.967  -6.918
   29    H    GLY   7           H        GLY   7 -13.048   1.092  -2.398
   30    HA2  GLY   7           1HA      GLY   7 -12.323   3.894  -2.291
   31    HA3  GLY   7           2HA      GLY   7 -13.452   3.043  -1.240
   32    H    LYS   8           H        LYS   8 -10.625   1.332  -0.994
   33    HA   LYS   8           HA       LYS   8  -9.942   2.079   1.658
   34    HB2  LYS   8           1HB      LYS   8  -8.529   0.557  -0.548
   35    HB3  LYS   8           2HB      LYS   8  -7.740   0.838   1.003
   36    HG2  LYS   8           1HG      LYS   8  -9.516  -0.307   2.207
   37    HG3  LYS   8           2HG      LYS   8 -10.473  -0.475   0.726
   38    HD2  LYS   8           1HD      LYS   8  -8.705  -1.903  -0.270
   39    HD3  LYS   8           2HD      LYS   8  -7.739  -1.742   1.212
   40    HE2  LYS   8           1HE      LYS   8  -9.553  -2.800   2.525
   41    HE3  LYS   8           2HE      LYS   8 -10.550  -2.925   1.069
   42    HZ1  LYS   8           3HZ      LYS   8  -8.869  -4.408   0.117
   43    HZ2  LYS   8           1HZ      LYS   8  -9.396  -5.010   1.536
   44    HZ3  LYS   8           2HZ      LYS   8  -7.935  -4.291   1.453
   45    HA   PRO   9           HA       PRO   9  -7.976   5.891   0.675
   46    HB2  PRO   9           1HB      PRO   9  -7.103   6.740   3.113
   47    HB3  PRO   9           2HB      PRO   9  -8.829   6.583   2.691
   48    HG2  PRO   9           1HG      PRO   9  -7.094   4.630   4.200
   49    HG3  PRO   9           2HG      PRO   9  -8.725   5.191   4.638
   50    HD2  PRO   9           1HD      PRO   9  -8.245   2.810   3.326
   51    HD3  PRO   9           2HD      PRO   9  -9.716   3.773   3.078
   52    H    TYR  10           H        TYR  10  -5.883   3.586   2.498
   53    HA   TYR  10           HA       TYR  10  -3.518   5.164   1.860
   54    HB2  TYR  10           1HB      TYR  10  -3.758   2.472   3.237
   55    HB3  TYR  10           2HB      TYR  10  -2.321   3.477   3.154
   56    HD1  TYR  10           2HD      TYR  10  -2.352   5.792   4.243
   57    HD2  TYR  10           1HD      TYR  10  -5.481   2.884   4.860
   58    HE1  TYR  10           2HE      TYR  10  -3.131   7.039   6.260
   59    HE2  TYR  10           1HE      TYR  10  -6.214   4.089   6.886
   60    HH   TYR  10           HH       TYR  10  -5.876   5.903   8.265
   61    H    LYS  11           H        LYS  11  -3.084   5.146  -0.298
   62    HA   LYS  11           HA       LYS  11  -2.897   2.532  -1.742
   63    HB2  LYS  11           1HB      LYS  11  -3.429   5.287  -2.905
   64    HB3  LYS  11           2HB      LYS  11  -3.315   3.759  -3.793
   65    HG2  LYS  11           1HG      LYS  11  -5.204   2.905  -2.265
   66    HG3  LYS  11           2HG      LYS  11  -5.437   4.585  -1.777
   67    HD2  LYS  11           1HD      LYS  11  -5.858   5.219  -4.133
   68    HD3  LYS  11           2HD      LYS  11  -5.592   3.532  -4.638
   69    HE2  LYS  11           1HE      LYS  11  -7.448   2.815  -3.119
   70    HE3  LYS  11           2HE      LYS  11  -7.747   4.501  -2.703
   71    HZ1  LYS  11           3HZ      LYS  11  -8.368   4.929  -4.988
   72    HZ2  LYS  11           1HZ      LYS  11  -9.231   3.641  -4.441
   73    HZ3  LYS  11           2HZ      LYS  11  -7.970   3.411  -5.457
   74    H    CYS  12           H        CYS  12  -1.270   2.045  -3.112
   75    HA   CYS  12           HA       CYS  12   1.348   3.077  -2.458
   76    HB2  CYS  12           1HB      CYS  12   0.955   0.739  -2.925
   77    HB3  CYS  12           2HB      CYS  12   0.407   1.122  -4.567
   78    HA   PRO  13           HA       PRO  13   1.470   6.200  -5.749
   79    HB2  PRO  13           1HB      PRO  13   4.103   6.923  -5.588
   80    HB3  PRO  13           2HB      PRO  13   2.889   7.377  -4.357
   81    HG2  PRO  13           1HG      PRO  13   4.875   5.100  -4.259
   82    HG3  PRO  13           2HG      PRO  13   4.482   6.288  -2.979
   83    HD2  PRO  13           1HD      PRO  13   3.380   3.775  -3.094
   84    HD3  PRO  13           2HD      PRO  13   2.486   5.172  -2.430
   85    H    GLN  14           H        GLN  14   3.073   3.139  -5.753
   86    HA   GLN  14           HA       GLN  14   4.019   3.483  -8.577
   87    HB2  GLN  14           1HB      GLN  14   4.863   1.328  -6.637
   88    HB3  GLN  14           2HB      GLN  14   5.609   1.748  -8.167
   89    HG2  GLN  14           1HG      GLN  14   5.627   3.438  -5.624
   90    HG3  GLN  14           2HG      GLN  14   6.943   2.449  -6.218
   91   HE21  GLN  14          1HE2      GLN  14   7.593   4.994  -5.692
   92   HE22  GLN  14          2HE2      GLN  14   7.783   5.898  -7.190
   93    H    CYS  15           H        CYS  15   1.984   1.500  -6.487
   94    HA   CYS  15           HA       CYS  15   1.290  -0.307  -8.777
   95    HB2  CYS  15           1HB      CYS  15   0.865  -0.912  -5.849
   96    HB3  CYS  15           2HB      CYS  15   0.900  -2.035  -7.203
   97    H    SER  16           H        SER  16  -0.877  -1.391  -8.510
   98    HA   SER  16           HA       SER  16  -3.094   0.463  -7.990
   99    HB2  SER  16           1HB      SER  16  -3.154  -2.507  -8.634
  100    HB3  SER  16           2HB      SER  16  -4.517  -1.380  -8.715
  101    HG   SER  16           HG       SER  16  -3.435  -0.268 -10.390
  102    H    TYR  17           H        TYR  17  -1.157  -1.094  -5.882
  103    HA   TYR  17           HA       TYR  17  -2.804  -2.554  -4.101
  104    HB2  TYR  17           1HB      TYR  17  -0.395  -2.741  -4.106
  105    HB3  TYR  17           2HB      TYR  17  -0.207  -1.040  -3.725
  106    HD1  TYR  17           1HD      TYR  17  -0.700  -0.153  -1.435
  107    HD2  TYR  17           2HD      TYR  17  -0.906  -4.370  -2.366
  108    HE1  TYR  17           1HE      TYR  17  -0.710  -0.691   0.984
  109    HE2  TYR  17           2HE      TYR  17  -0.851  -4.897   0.067
  110    HH   TYR  17           HH       TYR  17  -0.739  -4.052   2.185
  111    H    ALA  18           H        ALA  18  -4.104  -2.024  -2.451
  112    HA   ALA  18           HA       ALA  18  -4.043   0.661  -1.259
  113    HB1  ALA  18           1HB      ALA  18  -6.438   0.985  -1.490
  114    HB2  ALA  18           2HB      ALA  18  -5.713   0.763  -3.095
  115    HB3  ALA  18           3HB      ALA  18  -6.610  -0.573  -2.335
  116    H    SER  19           H        SER  19  -4.672   0.753   0.855
  117    HA   SER  19           HA       SER  19  -5.603  -1.717   2.260
  118    HB2  SER  19           1HB      SER  19  -3.157  -1.582   2.428
  119    HB3  SER  19           2HB      SER  19  -3.281   0.067   3.068
  120    HG   SER  19           HG       SER  19  -3.287  -1.010   4.877
  121    H    ALA  20           H        ALA  20  -6.602  -1.388   4.258
  122    HA   ALA  20           HA       ALA  20  -7.870   1.246   4.748
  123    HB1  ALA  20           1HB      ALA  20  -8.305  -1.479   6.035
  124    HB2  ALA  20           2HB      ALA  20  -9.275  -0.018   6.313
  125    HB3  ALA  20           3HB      ALA  20  -9.272  -0.781   4.713
  126    H    ILE  21           H        ILE  21  -5.017  -0.255   5.617
  127    HA   ILE  21           HA       ILE  21  -4.736   1.270   8.178
  128    HB   ILE  21           HB       ILE  21  -3.596  -1.488   7.581
  129   HG12  ILE  21          1HG1      ILE  21  -5.886  -0.757   9.460
  130   HG13  ILE  21          2HG1      ILE  21  -6.049  -1.618   7.929
  131   HG21  ILE  21          1HG2      ILE  21  -2.866  -1.453   9.944
  132   HG22  ILE  21          2HG2      ILE  21  -2.177  -0.098   9.089
  133   HG23  ILE  21          3HG2      ILE  21  -3.574   0.161  10.156
  134   HD11  ILE  21          3HD1      ILE  21  -4.558  -3.434   8.829
  135   HD12  ILE  21          1HD1      ILE  21  -4.689  -2.656  10.427
  136   HD13  ILE  21          2HD1      ILE  21  -6.140  -3.266   9.621
  137    H    LYS  22           H        LYS  22  -3.056   2.627   8.195
  138    HA   LYS  22           HA       LYS  22  -1.404   3.106   5.935
  139    HB2  LYS  22           1HB      LYS  22  -2.131   4.718   7.762
  140    HB3  LYS  22           2HB      LYS  22  -0.895   4.014   8.803
  141    HG2  LYS  22           1HG      LYS  22   0.864   4.689   7.185
  142    HG3  LYS  22           2HG      LYS  22  -0.379   5.322   6.089
  143    HD2  LYS  22           1HD      LYS  22  -1.065   6.963   7.833
  144    HD3  LYS  22           2HD      LYS  22   0.195   6.330   8.914
  145    HE2  LYS  22           1HE      LYS  22   1.930   6.936   7.239
  146    HE3  LYS  22           2HE      LYS  22   0.678   7.568   6.164
  147    HZ1  LYS  22           3HZ      LYS  22   1.292   8.634   8.872
  148    HZ2  LYS  22           1HZ      LYS  22   0.133   9.218   7.878
  149    HZ3  LYS  22           2HZ      LYS  22   1.705   9.344   7.463
  150    H    ALA  23           H        ALA  23  -0.643   1.314   8.921
  151    HA   ALA  23           HA       ALA  23   2.138   0.988   8.446
  152    HB1  ALA  23           1HB      ALA  23   0.201  -0.788   9.974
  153    HB2  ALA  23           2HB      ALA  23   1.973  -0.778  10.134
  154    HB3  ALA  23           3HB      ALA  23   1.040   0.654  10.613
  155    H    ASN  24           H        ASN  24  -0.618  -0.877   7.186
  156    HA   ASN  24           HA       ASN  24   0.885  -3.083   6.110
  157    HB2  ASN  24           1HB      ASN  24  -1.697  -2.708   6.524
  158    HB3  ASN  24           2HB      ASN  24  -1.637  -1.893   4.964
  159   HD21  ASN  24          1HD2      ASN  24  -3.261  -3.512   4.419
  160   HD22  ASN  24          2HD2      ASN  24  -2.727  -5.126   3.950
  161    H    LEU  25           H        LEU  25  -0.148   0.082   4.748
  162    HA   LEU  25           HA       LEU  25   1.130  -0.216   2.192
  163    HB2  LEU  25           1HB      LEU  25  -0.671   1.399   2.562
  164    HB3  LEU  25           2HB      LEU  25   0.285   2.244   3.779
  165    HG   LEU  25           HG       LEU  25   1.964   2.860   2.046
  166   HD11  LEU  25          1HD1      LEU  25   1.597   1.017   0.438
  167   HD12  LEU  25          2HD1      LEU  25   1.391   2.587  -0.334
  168   HD13  LEU  25          3HD1      LEU  25  -0.042   1.628   0.114
  169   HD21  LEU  25          3HD2      LEU  25   0.644   4.545   0.923
  170   HD22  LEU  25          1HD2      LEU  25   0.114   4.390   2.608
  171   HD23  LEU  25          2HD2      LEU  25  -0.849   3.669   1.296
  172    H    ASN  26           H        ASN  26   2.253   1.170   5.316
  173    HA   ASN  26           HA       ASN  26   4.789   2.094   4.491
  174    HB2  ASN  26           1HB      ASN  26   3.682   2.515   6.662
  175    HB3  ASN  26           2HB      ASN  26   3.965   0.846   7.141
  176   HD21  ASN  26          1HD2      ASN  26   4.885   3.503   8.272
  177   HD22  ASN  26          2HD2      ASN  26   6.617   3.264   8.440
  178    H    VAL  27           H        VAL  27   3.968  -1.240   5.677
  179    HA   VAL  27           HA       VAL  27   6.546  -2.364   5.134
  180    HB   VAL  27           HB       VAL  27   3.797  -3.633   5.275
  181   HG11  VAL  27          1HG1      VAL  27   6.517  -5.005   5.149
  182   HG12  VAL  27          2HG1      VAL  27   4.994  -5.799   5.609
  183   HG13  VAL  27          3HG1      VAL  27   5.191  -5.171   3.974
  184   HG21  VAL  27          3HG2      VAL  27   6.144  -3.597   7.223
  185   HG22  VAL  27          1HG2      VAL  27   4.672  -2.622   7.383
  186   HG23  VAL  27          2HG2      VAL  27   4.571  -4.381   7.488
  187    H    HIS  28           H        HIS  28   3.668  -2.057   2.995
  188    HA   HIS  28           HA       HIS  28   4.798  -3.470   0.802
  189    HB2  HIS  28           1HB      HIS  28   2.416  -2.949   0.993
  190    HB3  HIS  28           2HB      HIS  28   2.742  -1.226   0.879
  191    HD1  HIS  28           1HD      HIS  28   2.538  -4.320  -1.358
  192    HD2  HIS  28           2HD      HIS  28   3.315  -0.194  -1.516
  193    HE1  HIS  28           1HE      HIS  28   2.573  -3.718  -3.825
  194    H    LEU  29           H        LEU  29   5.026  -0.002   1.662
  195    HA   LEU  29           HA       LEU  29   6.498   0.829  -0.675
  196    HB2  LEU  29           1HB      LEU  29   6.272   1.955   2.115
  197    HB3  LEU  29           2HB      LEU  29   7.169   2.778   0.846
  198    HG   LEU  29           HG       LEU  29   4.311   1.977   0.403
  199   HD11  LEU  29          1HD1      LEU  29   5.499   4.454   1.747
  200   HD12  LEU  29          2HD1      LEU  29   4.458   3.248   2.517
  201   HD13  LEU  29          3HD1      LEU  29   3.779   4.322   1.268
  202   HD21  LEU  29          3HD2      LEU  29   4.319   3.999  -1.055
  203   HD22  LEU  29          1HD2      LEU  29   5.433   2.752  -1.609
  204   HD23  LEU  29          2HD2      LEU  29   6.058   4.187  -0.760
  205    H    ARG  30           H        ARG  30   7.604  -0.548   2.409
  206    HA   ARG  30           HA       ARG  30  10.288   0.256   2.233
  207    HB2  ARG  30           1HB      ARG  30   9.115  -2.353   3.292
  208    HB3  ARG  30           2HB      ARG  30  10.817  -1.938   3.491
  209    HG2  ARG  30           1HG      ARG  30  10.334  -0.036   4.860
  210    HG3  ARG  30           2HG      ARG  30   8.626  -0.091   4.464
  211    HD2  ARG  30           1HD      ARG  30   8.653  -2.477   5.530
  212    HD3  ARG  30           2HD      ARG  30  10.208  -1.977   6.222
  213    HE   ARG  30           HE       ARG  30   8.071  -0.023   6.644
  214   HH11  ARG  30          1HH1      ARG  30   9.329  -3.002   8.023
  215   HH12  ARG  30          2HH1      ARG  30   8.599  -2.676   9.571
  216   HH21  ARG  30          2HH2      ARG  30   7.223   0.323   8.557
  217   HH22  ARG  30          1HH2      ARG  30   7.424  -0.806   9.885
  218    H    LYS  31           H        LYS  31   8.616  -2.002   0.264
  219    HA   LYS  31           HA       LYS  31  10.929  -3.359  -0.934
  220    HB2  LYS  31           1HB      LYS  31   8.002  -3.251  -1.785
  221    HB3  LYS  31           2HB      LYS  31   9.228  -4.341  -2.426
  222    HG2  LYS  31           1HG      LYS  31   9.481  -5.449  -0.273
  223    HG3  LYS  31           2HG      LYS  31   8.371  -4.312   0.509
  224    HD2  LYS  31           1HD      LYS  31   6.525  -5.051  -0.923
  225    HD3  LYS  31           2HD      LYS  31   7.579  -6.224  -1.727
  226    HE2  LYS  31           1HE      LYS  31   6.948  -6.180   1.265
  227    HE3  LYS  31           2HE      LYS  31   6.078  -7.158   0.081
  228    HZ1  LYS  31           3HZ      LYS  31   7.805  -8.462   1.147
  229    HZ2  LYS  31           1HZ      LYS  31   8.974  -7.422   0.693
  230    HZ3  LYS  31           2HZ      LYS  31   8.173  -8.299  -0.433
  231    H    HIS  32           H        HIS  32   8.991  -0.455  -1.609
  232    HA   HIS  32           HA       HIS  32  10.290  -0.018  -4.227
  233    HB2  HIS  32           1HB      HIS  32   8.393   1.659  -2.545
  234    HB3  HIS  32           2HB      HIS  32   8.936   2.060  -4.178
  235    HD1  HIS  32           1HD      HIS  32   8.463  -0.555  -5.758
  236    HD2  HIS  32           2HD      HIS  32   5.922   0.904  -2.741
  237    HE1  HIS  32           1HE      HIS  32   6.208  -1.628  -6.181
  238    H    THR  33           H        THR  33  10.470   1.385  -0.906
  239    HA   THR  33           HA       THR  33  12.406   3.401  -1.700
  240    HB   THR  33           HB       THR  33  12.467   3.994   0.672
  241    HG1  THR  33           1HG      THR  33  11.193   2.865   2.118
  242   HG21  THR  33          3HG2      THR  33  10.147   4.673   0.944
  243   HG22  THR  33          1HG2      THR  33   9.607   3.484  -0.260
  244   HG23  THR  33          2HG2      THR  33  10.619   4.859  -0.753
  245    H    GLY  34           H        GLY  34  12.806   0.112  -0.814
  246    HA2  GLY  34           1HA      GLY  34  15.447   0.219   0.316
  247    HA3  GLY  34           2HA      GLY  34  14.669  -1.175  -0.439
  248    H    GLU  35           H        GLU  35  14.419   0.743  -2.966
  249    HA   GLU  35           HA       GLU  35  16.942  -0.096  -4.219
  250    HB2  GLU  35           1HB      GLU  35  14.568   1.455  -5.325
  251    HB3  GLU  35           2HB      GLU  35  15.978   0.927  -6.252
  252    HG2  GLU  35           1HG      GLU  35  15.457  -1.453  -5.605
  253    HG3  GLU  35           2HG      GLU  35  13.964  -0.884  -4.855
  254    H    LYS  36           H        LYS  36  18.531   1.209  -5.067
  255    HA   LYS  36           HA       LYS  36  18.558   4.115  -4.617
  256    HB2  LYS  36           1HB      LYS  36  20.637   4.098  -3.359
  257    HB3  LYS  36           2HB      LYS  36  19.360   3.256  -2.488
  258    HG2  LYS  36           1HG      LYS  36  20.344   1.057  -3.198
  259    HG3  LYS  36           2HG      LYS  36  21.610   1.928  -4.072
  260    HD2  LYS  36           1HD      LYS  36  22.512   1.179  -1.984
  261    HD3  LYS  36           2HD      LYS  36  22.377   2.943  -1.926
  262    HE2  LYS  36           1HE      LYS  36  20.276   2.738  -0.610
  263    HE3  LYS  36           2HE      LYS  36  20.374   0.976  -0.718
  264    HZ1  LYS  36           3HZ      LYS  36  22.373   2.714   0.632
  265    HZ2  LYS  36           1HZ      LYS  36  22.462   1.085   0.536
  266    HZ3  LYS  36           2HZ      LYS  36  21.264   1.788   1.391
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1 -20.552   9.743 -11.544
    2    H2   GLY   1           2H       GLY   1 -20.635   9.020 -13.012
    3    H3   GLY   1           3H       GLY   1 -19.315   9.903 -12.606
    4    HA2  GLY   1           1HA      GLY   1 -20.146   7.385 -11.316
    5    HA3  GLY   1           2HA      GLY   1 -18.820   7.545 -12.483
    6    H    SER   2           H        SER   2 -18.807   6.644  -9.643
    7    HA   SER   2           HA       SER   2 -17.646   8.641  -7.959
    8    HB2  SER   2           1HB      SER   2 -17.425   5.614  -7.779
    9    HB3  SER   2           2HB      SER   2 -17.096   6.776  -6.477
   10    HG   SER   2           HG       SER   2 -19.221   5.894  -6.350
   11    H    SER   3           H        SER   3 -15.537   8.997  -7.262
   12    HA   SER   3           HA       SER   3 -13.440   8.550  -9.252
   13    HB2  SER   3           1HB      SER   3 -12.192  10.173  -7.871
   14    HB3  SER   3           2HB      SER   3 -13.799  10.761  -8.330
   15    HG   SER   3           HG       SER   3 -13.362  11.116  -6.102
   16    H    GLY   4           H        GLY   4 -14.381   6.724  -6.591
   17    HA2  GLY   4           1HA      GLY   4 -13.377   4.826  -5.700
   18    HA3  GLY   4           2HA      GLY   4 -11.876   5.204  -6.543
   19    H    SER   5           H        SER   5 -12.935   7.909  -4.713
   20    HA   SER   5           HA       SER   5 -10.861   7.629  -2.699
   21    HB2  SER   5           1HB      SER   5 -11.731   9.763  -1.869
   22    HB3  SER   5           2HB      SER   5 -11.497   9.802  -3.625
   23    HG   SER   5           HG       SER   5 -13.520  10.691  -3.044
   24    H    SER   6           H        SER   6 -14.197   6.668  -2.838
   25    HA   SER   6           HA       SER   6 -14.674   6.459   0.019
   26    HB2  SER   6           1HB      SER   6 -16.733   5.271  -0.743
   27    HB3  SER   6           2HB      SER   6 -16.511   6.868  -1.477
   28    HG   SER   6           HG       SER   6 -17.100   5.236  -3.014
   29    H    GLY   7           H        GLY   7 -12.879   4.516  -2.132
   30    HA2  GLY   7           1HA      GLY   7 -13.284   1.918  -0.823
   31    HA3  GLY   7           2HA      GLY   7 -12.091   2.334  -2.049
   32    H    LYS   8           H        LYS   8 -10.653   1.037  -0.753
   33    HA   LYS   8           HA       LYS   8  -9.698   1.654   1.859
   34    HB2  LYS   8           1HB      LYS   8  -8.514   0.276  -0.564
   35    HB3  LYS   8           2HB      LYS   8  -7.576   0.482   0.916
   36    HG2  LYS   8           1HG      LYS   8  -9.162  -0.775   2.226
   37    HG3  LYS   8           2HG      LYS   8 -10.331  -0.811   0.898
   38    HD2  LYS   8           1HD      LYS   8  -8.781  -2.181  -0.460
   39    HD3  LYS   8           2HD      LYS   8  -7.591  -2.148   0.856
   40    HE2  LYS   8           1HE      LYS   8  -9.210  -3.274   2.360
   41    HE3  LYS   8           2HE      LYS   8 -10.413  -3.288   1.064
   42    HZ1  LYS   8           3HZ      LYS   8  -8.919  -4.711  -0.229
   43    HZ2  LYS   8           1HZ      LYS   8  -9.238  -5.410   1.209
   44    HZ3  LYS   8           2HZ      LYS   8  -7.794  -4.693   0.956
   45    HA   PRO   9           HA       PRO   9  -8.027   5.600   0.696
   46    HB2  PRO   9           1HB      PRO   9  -7.162   6.551   3.102
   47    HB3  PRO   9           2HB      PRO   9  -8.885   6.306   2.711
   48    HG2  PRO   9           1HG      PRO   9  -7.032   4.453   4.213
   49    HG3  PRO   9           2HG      PRO   9  -8.659   4.971   4.701
   50    HD2  PRO   9           1HD      PRO   9  -8.199   2.586   3.438
   51    HD3  PRO   9           2HD      PRO   9  -9.675   3.534   3.152
   52    H    TYR  10           H        TYR  10  -5.829   3.400   2.504
   53    HA   TYR  10           HA       TYR  10  -3.530   5.067   1.848
   54    HB2  TYR  10           1HB      TYR  10  -3.660   2.351   3.194
   55    HB3  TYR  10           2HB      TYR  10  -2.247   3.391   3.076
   56    HD1  TYR  10           2HD      TYR  10  -2.219   5.623   4.261
   57    HD2  TYR  10           1HD      TYR  10  -5.391   2.759   4.814
   58    HE1  TYR  10           2HE      TYR  10  -2.937   6.807   6.335
   59    HE2  TYR  10           1HE      TYR  10  -6.092   3.914   6.883
   60    HH   TYR  10           HH       TYR  10  -5.697   5.668   8.324
   61    H    LYS  11           H        LYS  11  -3.194   5.097  -0.320
   62    HA   LYS  11           HA       LYS  11  -2.965   2.529  -1.827
   63    HB2  LYS  11           1HB      LYS  11  -3.505   5.295  -2.942
   64    HB3  LYS  11           2HB      LYS  11  -3.500   3.760  -3.823
   65    HG2  LYS  11           1HG      LYS  11  -5.384   3.000  -2.259
   66    HG3  LYS  11           2HG      LYS  11  -5.472   4.668  -1.689
   67    HD2  LYS  11           1HD      LYS  11  -5.860   5.409  -4.051
   68    HD3  LYS  11           2HD      LYS  11  -5.925   3.703  -4.543
   69    HE2  LYS  11           1HE      LYS  11  -7.814   3.325  -2.971
   70    HE3  LYS  11           2HE      LYS  11  -7.727   5.006  -2.446
   71    HZ1  LYS  11           3HZ      LYS  11  -9.461   4.753  -4.101
   72    HZ2  LYS  11           1HZ      LYS  11  -8.424   4.097  -5.188
   73    HZ3  LYS  11           2HZ      LYS  11  -8.271   5.664  -4.749
   74    H    CYS  12           H        CYS  12  -1.307   2.073  -3.174
   75    HA   CYS  12           HA       CYS  12   1.277   3.143  -2.524
   76    HB2  CYS  12           1HB      CYS  12   0.924   0.811  -3.029
   77    HB3  CYS  12           2HB      CYS  12   0.347   1.211  -4.654
   78    HA   PRO  13           HA       PRO  13   1.371   6.337  -5.736
   79    HB2  PRO  13           1HB      PRO  13   3.980   7.110  -5.551
   80    HB3  PRO  13           2HB      PRO  13   2.772   7.473  -4.282
   81    HG2  PRO  13           1HG      PRO  13   4.778   5.197  -4.346
   82    HG3  PRO  13           2HG      PRO  13   4.440   6.335  -3.004
   83    HD2  PRO  13           1HD      PRO  13   3.313   3.847  -3.158
   84    HD3  PRO  13           2HD      PRO  13   2.422   5.229  -2.461
   85    H    GLN  14           H        GLN  14   2.977   3.285  -5.869
   86    HA   GLN  14           HA       GLN  14   3.784   3.727  -8.729
   87    HB2  GLN  14           1HB      GLN  14   4.985   1.840  -6.672
   88    HB3  GLN  14           2HB      GLN  14   5.419   1.924  -8.385
   89    HG2  GLN  14           1HG      GLN  14   6.077   4.335  -8.050
   90    HG3  GLN  14           2HG      GLN  14   5.774   4.141  -6.323
   91   HE21  GLN  14          1HE2      GLN  14   8.152   4.904  -6.353
   92   HE22  GLN  14          2HE2      GLN  14   9.356   3.627  -6.463
   93    H    CYS  15           H        CYS  15   1.920   1.647  -6.580
   94    HA   CYS  15           HA       CYS  15   1.219  -0.135  -8.893
   95    HB2  CYS  15           1HB      CYS  15   0.802  -0.807  -5.982
   96    HB3  CYS  15           2HB      CYS  15   0.845  -1.896  -7.365
   97    H    SER  16           H        SER  16  -0.939  -1.219  -8.646
   98    HA   SER  16           HA       SER  16  -3.153   0.619  -8.065
   99    HB2  SER  16           1HB      SER  16  -3.197  -2.323  -8.830
  100    HB3  SER  16           2HB      SER  16  -4.582  -1.216  -8.815
  101    HG   SER  16           HG       SER  16  -3.678  -1.456 -10.918
  102    H    TYR  17           H        TYR  17  -1.202  -0.975  -6.007
  103    HA   TYR  17           HA       TYR  17  -2.850  -2.484  -4.256
  104    HB2  TYR  17           1HB      TYR  17  -0.432  -2.678  -4.279
  105    HB3  TYR  17           2HB      TYR  17  -0.244  -0.992  -3.837
  106    HD1  TYR  17           1HD      TYR  17  -0.613  -0.206  -1.528
  107    HD2  TYR  17           2HD      TYR  17  -1.098  -4.361  -2.603
  108    HE1  TYR  17           1HE      TYR  17  -0.612  -0.829   0.875
  109    HE2  TYR  17           2HE      TYR  17  -1.070  -4.981  -0.192
  110    HH   TYR  17           HH       TYR  17  -0.906  -4.236   1.955
  111    H    ALA  18           H        ALA  18  -4.116  -1.985  -2.574
  112    HA   ALA  18           HA       ALA  18  -3.999   0.655  -1.295
  113    HB1  ALA  18           1HB      ALA  18  -5.741   0.844  -3.071
  114    HB2  ALA  18           2HB      ALA  18  -6.608  -0.525  -2.339
  115    HB3  ALA  18           3HB      ALA  18  -6.406   0.996  -1.436
  116    H    SER  19           H        SER  19  -4.532   0.629   0.881
  117    HA   SER  19           HA       SER  19  -5.709  -1.831   2.069
  118    HB2  SER  19           1HB      SER  19  -3.142  -1.847   2.181
  119    HB3  SER  19           2HB      SER  19  -3.301  -0.520   3.346
  120    HG   SER  19           HG       SER  19  -4.334  -3.177   3.478
  121    H    ALA  20           H        ALA  20  -6.335  -1.551   4.329
  122    HA   ALA  20           HA       ALA  20  -7.716   1.028   4.770
  123    HB1  ALA  20           1HB      ALA  20  -8.992  -1.082   4.833
  124    HB2  ALA  20           2HB      ALA  20  -7.968  -1.663   6.168
  125    HB3  ALA  20           3HB      ALA  20  -9.022  -0.252   6.398
  126    H    ILE  21           H        ILE  21  -4.727  -0.163   5.610
  127    HA   ILE  21           HA       ILE  21  -4.582   1.385   8.165
  128    HB   ILE  21           HB       ILE  21  -3.474  -1.383   7.584
  129   HG12  ILE  21          1HG1      ILE  21  -5.549  -0.464   9.624
  130   HG13  ILE  21          2HG1      ILE  21  -5.880  -1.385   8.158
  131   HG21  ILE  21          1HG2      ILE  21  -2.548  -1.351   9.875
  132   HG22  ILE  21          2HG2      ILE  21  -1.834  -0.121   8.879
  133   HG23  ILE  21          3HG2      ILE  21  -3.079   0.336  10.071
  134   HD11  ILE  21          3HD1      ILE  21  -5.937  -2.931   9.941
  135   HD12  ILE  21          1HD1      ILE  21  -4.438  -3.247   9.043
  136   HD13  ILE  21          2HD1      ILE  21  -4.393  -2.379  10.599
  137    H    LYS  22           H        LYS  22  -2.886   2.744   8.310
  138    HA   LYS  22           HA       LYS  22  -1.236   3.394   6.099
  139    HB2  LYS  22           1HB      LYS  22  -1.838   4.938   7.961
  140    HB3  LYS  22           2HB      LYS  22  -0.861   3.991   9.071
  141    HG2  LYS  22           1HG      LYS  22   0.317   5.979   8.488
  142    HG3  LYS  22           2HG      LYS  22   1.182   4.610   7.792
  143    HD2  LYS  22           1HD      LYS  22   0.124   5.092   5.576
  144    HD3  LYS  22           2HD      LYS  22  -0.694   6.492   6.283
  145    HE2  LYS  22           1HE      LYS  22   2.313   6.087   6.173
  146    HE3  LYS  22           2HE      LYS  22   1.372   7.004   4.984
  147    HZ1  LYS  22           3HZ      LYS  22   1.605   7.703   7.863
  148    HZ2  LYS  22           1HZ      LYS  22   0.704   8.523   6.770
  149    HZ3  LYS  22           2HZ      LYS  22   2.327   8.488   6.632
  150    H    ALA  23           H        ALA  23  -0.450   1.420   8.953
  151    HA   ALA  23           HA       ALA  23   2.286   0.975   8.424
  152    HB1  ALA  23           1HB      ALA  23   1.128   0.493  10.560
  153    HB2  ALA  23           2HB      ALA  23   0.273  -0.863   9.780
  154    HB3  ALA  23           3HB      ALA  23   2.035  -0.912   9.966
  155    H    ASN  24           H        ASN  24  -0.564  -0.760   7.105
  156    HA   ASN  24           HA       ASN  24   0.902  -2.917   5.880
  157    HB2  ASN  24           1HB      ASN  24  -1.798  -1.640   5.255
  158    HB3  ASN  24           2HB      ASN  24  -1.184  -3.066   4.449
  159   HD21  ASN  24          1HD2      ASN  24  -3.534  -3.329   5.554
  160   HD22  ASN  24          2HD2      ASN  24  -3.427  -4.337   7.004
  161    H    LEU  25           H        LEU  25  -0.117   0.310   4.643
  162    HA   LEU  25           HA       LEU  25   1.163  -0.004   2.088
  163    HB2  LEU  25           1HB      LEU  25  -0.612   1.624   2.432
  164    HB3  LEU  25           2HB      LEU  25   0.341   2.469   3.660
  165    HG   LEU  25           HG       LEU  25   2.019   3.105   1.961
  166   HD11  LEU  25          1HD1      LEU  25   0.161   1.714  -0.018
  167   HD12  LEU  25          2HD1      LEU  25   1.823   1.226   0.381
  168   HD13  LEU  25          3HD1      LEU  25   1.548   2.752  -0.441
  169   HD21  LEU  25          3HD2      LEU  25   0.092   4.580   2.402
  170   HD22  LEU  25          1HD2      LEU  25  -0.799   3.780   1.086
  171   HD23  LEU  25          2HD2      LEU  25   0.669   4.706   0.731
  172    H    ASN  26           H        ASN  26   2.327   1.330   5.237
  173    HA   ASN  26           HA       ASN  26   4.866   2.178   4.292
  174    HB2  ASN  26           1HB      ASN  26   3.923   2.751   6.504
  175    HB3  ASN  26           2HB      ASN  26   4.122   1.077   7.024
  176   HD21  ASN  26          1HD2      ASN  26   6.041   0.599   8.073
  177   HD22  ASN  26          2HD2      ASN  26   7.468   1.616   7.970
  178    H    VAL  27           H        VAL  27   3.930  -1.113   5.489
  179    HA   VAL  27           HA       VAL  27   6.516  -2.298   4.971
  180    HB   VAL  27           HB       VAL  27   3.730  -3.507   5.147
  181   HG11  VAL  27          1HG1      VAL  27   5.094  -5.100   3.892
  182   HG12  VAL  27          2HG1      VAL  27   6.432  -4.921   5.053
  183   HG13  VAL  27          3HG1      VAL  27   4.901  -5.684   5.542
  184   HG21  VAL  27          3HG2      VAL  27   6.082  -3.488   7.097
  185   HG22  VAL  27          1HG2      VAL  27   4.634  -2.474   7.244
  186   HG23  VAL  27          2HG2      VAL  27   4.489  -4.230   7.377
  187    H    HIS  28           H        HIS  28   3.635  -1.864   2.864
  188    HA   HIS  28           HA       HIS  28   4.725  -3.319   0.670
  189    HB2  HIS  28           1HB      HIS  28   2.352  -2.737   0.879
  190    HB3  HIS  28           2HB      HIS  28   2.725  -1.025   0.731
  191    HD1  HIS  28           1HD      HIS  28   2.479  -4.170  -1.443
  192    HD2  HIS  28           2HD      HIS  28   3.283  -0.053  -1.677
  193    HE1  HIS  28           1HE      HIS  28   2.527  -3.618  -3.923
  194    H    LEU  29           H        LEU  29   5.042   0.131   1.569
  195    HA   LEU  29           HA       LEU  29   6.717   0.876  -0.686
  196    HB2  LEU  29           1HB      LEU  29   6.375   2.099   2.053
  197    HB3  LEU  29           2HB      LEU  29   7.281   2.848   0.739
  198    HG   LEU  29           HG       LEU  29   4.376   2.120   0.370
  199   HD11  LEU  29          1HD1      LEU  29   4.626   3.480   2.405
  200   HD12  LEU  29          2HD1      LEU  29   3.959   4.509   1.111
  201   HD13  LEU  29          3HD1      LEU  29   5.693   4.605   1.555
  202   HD21  LEU  29          3HD2      LEU  29   6.189   4.178  -0.954
  203   HD22  LEU  29          1HD2      LEU  29   4.441   4.023  -1.217
  204   HD23  LEU  29          2HD2      LEU  29   5.511   2.712  -1.703
  205    H    ARG  30           H        ARG  30   7.435  -0.474   2.549
  206    HA   ARG  30           HA       ARG  30  10.174   0.051   2.495
  207    HB2  ARG  30           1HB      ARG  30   8.528  -2.124   3.815
  208    HB3  ARG  30           2HB      ARG  30  10.285  -2.180   3.918
  209    HG2  ARG  30           1HG      ARG  30  10.415  -0.058   4.988
  210    HG3  ARG  30           2HG      ARG  30   8.730   0.306   4.717
  211    HD2  ARG  30           1HD      ARG  30   9.182  -0.350   7.066
  212    HD3  ARG  30           2HD      ARG  30   8.014  -1.397   6.278
  213    HE   ARG  30           HE       ARG  30   9.444  -3.199   6.496
  214   HH11  ARG  30          2HH2      ARG  30  11.430  -0.341   7.199
  215   HH12  ARG  30          1HH2      ARG  30  12.759  -1.395   7.700
  216   HH21  ARG  30          2HH1      ARG  30  11.277  -4.331   7.190
  217   HH22  ARG  30          1HH1      ARG  30  12.677  -3.377   7.698
  218    H    LYS  31           H        LYS  31   8.385  -2.187   0.573
  219    HA   LYS  31           HA       LYS  31  10.710  -3.658  -0.490
  220    HB2  LYS  31           1HB      LYS  31   7.844  -3.504  -1.508
  221    HB3  LYS  31           2HB      LYS  31   9.087  -4.624  -2.053
  222    HG2  LYS  31           1HG      LYS  31   9.194  -5.658   0.178
  223    HG3  LYS  31           2HG      LYS  31   7.973  -4.527   0.789
  224    HD2  LYS  31           1HD      LYS  31   6.350  -5.368  -0.895
  225    HD3  LYS  31           2HD      LYS  31   7.528  -6.567  -1.437
  226    HE2  LYS  31           1HE      LYS  31   6.434  -6.336   1.410
  227    HE3  LYS  31           2HE      LYS  31   5.781  -7.418   0.176
  228    HZ1  LYS  31           3HZ      LYS  31   7.338  -8.595   1.594
  229    HZ2  LYS  31           1HZ      LYS  31   8.547  -7.555   1.255
  230    HZ3  LYS  31           2HZ      LYS  31   7.949  -8.531   0.084
  231    H    HIS  32           H        HIS  32   8.886  -0.721  -1.365
  232    HA   HIS  32           HA       HIS  32  10.143  -0.519  -4.007
  233    HB2  HIS  32           1HB      HIS  32   8.393   1.342  -2.358
  234    HB3  HIS  32           2HB      HIS  32   9.025   1.757  -3.948
  235    HD1  HIS  32           1HD      HIS  32   8.427  -0.545  -5.777
  236    HD2  HIS  32           2HD      HIS  32   5.886   0.733  -2.685
  237    HE1  HIS  32           1HE      HIS  32   6.123  -1.369  -6.407
  238    H    THR  33           H        THR  33  10.617   1.118  -0.860
  239    HA   THR  33           HA       THR  33  13.182   2.291  -1.868
  240    HB   THR  33           HB       THR  33  11.329   3.828  -2.387
  241    HG1  THR  33           1HG      THR  33  13.311   4.731  -1.982
  242   HG21  THR  33          3HG2      THR  33  10.175   5.082  -0.643
  243   HG22  THR  33          1HG2      THR  33  10.928   4.094   0.622
  244   HG23  THR  33          2HG2      THR  33   9.777   3.364  -0.523
  245    H    GLY  34           H        GLY  34  11.336   1.229   0.937
  246    HA2  GLY  34           1HA      GLY  34  13.036   2.390   2.945
  247    HA3  GLY  34           2HA      GLY  34  11.908   1.075   3.195
  248    H    GLU  35           H        GLU  35  14.189   1.122   4.610
  249    HA   GLU  35           HA       GLU  35  15.532  -1.364   3.823
  250    HB2  GLU  35           1HB      GLU  35  16.805   0.768   2.882
  251    HB3  GLU  35           2HB      GLU  35  17.304   0.981   4.561
  252    HG2  GLU  35           1HG      GLU  35  18.163  -1.437   4.463
  253    HG3  GLU  35           2HG      GLU  35  17.806  -1.418   2.742
  254    H    LYS  36           H        LYS  36  16.577  -2.392   5.607
  255    HA   LYS  36           HA       LYS  36  16.640  -3.172   7.769
  256    HB2  LYS  36           1HB      LYS  36  17.646  -0.324   8.061
  257    HB3  LYS  36           2HB      LYS  36  17.799  -1.544   9.331
  258    HG2  LYS  36           1HG      LYS  36  19.204  -2.946   8.007
  259    HG3  LYS  36           2HG      LYS  36  18.904  -2.000   6.541
  260    HD2  LYS  36           1HD      LYS  36  20.054  -0.056   7.492
  261    HD3  LYS  36           2HD      LYS  36  20.271  -0.899   9.029
  262    HE2  LYS  36           1HE      LYS  36  22.339  -0.877   7.733
  263    HE3  LYS  36           2HE      LYS  36  21.772  -2.526   8.003
  264    HZ1  LYS  36           3HZ      LYS  36  22.533  -2.029   5.680
  265    HZ2  LYS  36           1HZ      LYS  36  21.241  -1.037   5.475
  266    HZ3  LYS  36           2HZ      LYS  36  21.019  -2.629   5.746
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1 -27.646   4.874   1.870
    2    H2   GLY   1           2H       GLY   1 -28.788   3.710   2.029
    3    H3   GLY   1           3H       GLY   1 -28.003   3.900   0.604
    4    HA2  GLY   1           1HA      GLY   1 -26.761   3.030   3.132
    5    HA3  GLY   1           2HA      GLY   1 -27.163   1.965   1.771
    6    H    SER   2           H        SER   2 -24.560   2.390   2.956
    7    HA   SER   2           HA       SER   2 -23.035   3.656   0.704
    8    HB2  SER   2           1HB      SER   2 -22.220   3.492   3.622
    9    HB3  SER   2           2HB      SER   2 -21.310   4.248   2.304
   10    HG   SER   2           HG       SER   2 -23.833   5.050   3.359
   11    H    SER   3           H        SER   3 -23.873   0.693   1.348
   12    HA   SER   3           HA       SER   3 -21.571  -0.805   1.985
   13    HB2  SER   3           1HB      SER   3 -23.950  -1.642   0.285
   14    HB3  SER   3           2HB      SER   3 -22.798  -2.724   1.095
   15    HG   SER   3           HG       SER   3 -24.711  -2.412   2.333
   16    H    GLY   4           H        GLY   4 -19.693  -0.797   0.938
   17    HA2  GLY   4           1HA      GLY   4 -18.123  -1.110  -0.723
   18    HA3  GLY   4           2HA      GLY   4 -19.405  -1.568  -1.844
   19    H    SER   5           H        SER   5 -20.058   1.518  -0.493
   20    HA   SER   5           HA       SER   5 -19.674   2.787  -3.070
   21    HB2  SER   5           1HB      SER   5 -20.561   3.985  -0.425
   22    HB3  SER   5           2HB      SER   5 -20.752   4.718  -2.026
   23    HG   SER   5           HG       SER   5 -22.118   2.994  -2.612
   24    H    SER   6           H        SER   6 -17.535   2.479  -0.441
   25    HA   SER   6           HA       SER   6 -15.842   4.750  -1.413
   26    HB2  SER   6           1HB      SER   6 -16.241   3.887   1.475
   27    HB3  SER   6           2HB      SER   6 -15.079   5.098   0.901
   28    HG   SER   6           HG       SER   6 -17.034   6.048   1.660
   29    H    GLY   7           H        GLY   7 -13.732   4.330  -1.720
   30    HA2  GLY   7           1HA      GLY   7 -12.791   1.546  -1.661
   31    HA3  GLY   7           2HA      GLY   7 -11.968   2.934  -2.360
   32    H    LYS   8           H        LYS   8 -10.459   1.196  -1.094
   33    HA   LYS   8           HA       LYS   8  -9.884   1.789   1.691
   34    HB2  LYS   8           1HB      LYS   8  -8.437   0.333  -0.537
   35    HB3  LYS   8           2HB      LYS   8  -7.687   0.582   1.041
   36    HG2  LYS   8           1HG      LYS   8  -9.441  -0.634   2.176
   37    HG3  LYS   8           2HG      LYS   8 -10.417  -0.725   0.701
   38    HD2  LYS   8           1HD      LYS   8  -8.681  -2.120  -0.384
   39    HD3  LYS   8           2HD      LYS   8  -7.697  -2.044   1.091
   40    HE2  LYS   8           1HE      LYS   8  -9.515  -3.135   2.374
   41    HE3  LYS   8           2HE      LYS   8 -10.523  -3.181   0.923
   42    HZ1  LYS   8           3HZ      LYS   8  -7.923  -4.596   1.224
   43    HZ2  LYS   8           1HZ      LYS   8  -8.867  -4.639  -0.110
   44    HZ3  LYS   8           2HZ      LYS   8  -9.393  -5.301   1.284
   45    HA   PRO   9           HA       PRO   9  -8.027   5.663   0.723
   46    HB2  PRO   9           1HB      PRO   9  -7.169   6.511   3.166
   47    HB3  PRO   9           2HB      PRO   9  -8.891   6.304   2.751
   48    HG2  PRO   9           1HG      PRO   9  -7.084   4.381   4.220
   49    HG3  PRO   9           2HG      PRO   9  -8.721   4.895   4.686
   50    HD2  PRO   9           1HD      PRO   9  -8.217   2.547   3.341
   51    HD3  PRO   9           2HD      PRO   9  -9.702   3.493   3.102
   52    H    TYR  10           H        TYR  10  -5.838   3.410   2.517
   53    HA   TYR  10           HA       TYR  10  -3.539   5.081   1.869
   54    HB2  TYR  10           1HB      TYR  10  -3.670   2.370   3.226
   55    HB3  TYR  10           2HB      TYR  10  -2.255   3.405   3.102
   56    HD1  TYR  10           2HD      TYR  10  -2.197   5.629   4.286
   57    HD2  TYR  10           1HD      TYR  10  -5.420   2.814   4.830
   58    HE1  TYR  10           2HE      TYR  10  -2.930   6.846   6.334
   59    HE2  TYR  10           1HE      TYR  10  -6.113   3.988   6.889
   60    HH   TYR  10           HH       TYR  10  -5.699   5.749   8.325
   61    H    LYS  11           H        LYS  11  -3.158   5.104  -0.297
   62    HA   LYS  11           HA       LYS  11  -2.921   2.524  -1.786
   63    HB2  LYS  11           1HB      LYS  11  -3.411   5.300  -2.909
   64    HB3  LYS  11           2HB      LYS  11  -3.356   3.774  -3.804
   65    HG2  LYS  11           1HG      LYS  11  -5.288   2.981  -2.312
   66    HG3  LYS  11           2HG      LYS  11  -5.432   4.653  -1.760
   67    HD2  LYS  11           1HD      LYS  11  -5.748   5.385  -4.118
   68    HD3  LYS  11           2HD      LYS  11  -5.665   3.690  -4.643
   69    HE2  LYS  11           1HE      LYS  11  -7.624   3.153  -3.211
   70    HE3  LYS  11           2HE      LYS  11  -7.703   4.833  -2.678
   71    HZ1  LYS  11           3HZ      LYS  11  -8.138   5.481  -4.993
   72    HZ2  LYS  11           1HZ      LYS  11  -9.264   4.415  -4.491
   73    HZ3  LYS  11           2HZ      LYS  11  -8.069   3.926  -5.488
   74    H    CYS  12           H        CYS  12  -1.266   2.051  -3.118
   75    HA   CYS  12           HA       CYS  12   1.335   3.123  -2.502
   76    HB2  CYS  12           1HB      CYS  12   0.970   0.789  -2.994
   77    HB3  CYS  12           2HB      CYS  12   0.382   1.186  -4.618
   78    HA   PRO  13           HA       PRO  13   1.313   6.328  -5.710
   79    HB2  PRO  13           1HB      PRO  13   3.930   7.106  -5.592
   80    HB3  PRO  13           2HB      PRO  13   2.750   7.480  -4.300
   81    HG2  PRO  13           1HG      PRO  13   4.762   5.210  -4.393
   82    HG3  PRO  13           2HG      PRO  13   4.444   6.355  -3.050
   83    HD2  PRO  13           1HD      PRO  13   3.332   3.861  -3.167
   84    HD3  PRO  13           2HD      PRO  13   2.445   5.242  -2.460
   85    H    GLN  14           H        GLN  14   2.959   3.303  -5.853
   86    HA   GLN  14           HA       GLN  14   3.781   3.716  -8.708
   87    HB2  GLN  14           1HB      GLN  14   4.993   2.020  -6.497
   88    HB3  GLN  14           2HB      GLN  14   5.463   1.919  -8.198
   89    HG2  GLN  14           1HG      GLN  14   6.191   4.246  -8.203
   90    HG3  GLN  14           2HG      GLN  14   5.607   4.490  -6.558
   91   HE21  GLN  14          1HE2      GLN  14   7.956   2.408  -8.393
   92   HE22  GLN  14          2HE2      GLN  14   9.097   2.357  -7.056
   93    H    CYS  15           H        CYS  15   1.919   1.642  -6.558
   94    HA   CYS  15           HA       CYS  15   1.269  -0.182  -8.854
   95    HB2  CYS  15           1HB      CYS  15   0.847  -0.817  -5.931
   96    HB3  CYS  15           2HB      CYS  15   0.878  -1.926  -7.299
   97    H    SER  16           H        SER  16  -0.894  -1.270  -8.602
   98    HA   SER  16           HA       SER  16  -3.110   0.578  -8.055
   99    HB2  SER  16           1HB      SER  16  -3.154  -2.373  -8.788
  100    HB3  SER  16           2HB      SER  16  -4.536  -1.262  -8.794
  101    HG   SER  16           HG       SER  16  -3.621  -1.527 -10.889
  102    H    TYR  17           H        TYR  17  -1.174  -0.987  -5.966
  103    HA   TYR  17           HA       TYR  17  -2.839  -2.493  -4.226
  104    HB2  TYR  17           1HB      TYR  17  -0.426  -2.710  -4.238
  105    HB3  TYR  17           2HB      TYR  17  -0.220  -1.023  -3.804
  106    HD1  TYR  17           1HD      TYR  17  -0.594  -0.217  -1.503
  107    HD2  TYR  17           2HD      TYR  17  -1.098  -4.377  -2.552
  108    HE1  TYR  17           1HE      TYR  17  -0.604  -0.825   0.904
  109    HE2  TYR  17           2HE      TYR  17  -1.079  -4.982  -0.137
  110    HH   TYR  17           HH       TYR  17  -0.916  -4.224   2.004
  111    H    ALA  18           H        ALA  18  -4.115  -1.990  -2.553
  112    HA   ALA  18           HA       ALA  18  -3.988   0.648  -1.270
  113    HB1  ALA  18           1HB      ALA  18  -6.602  -0.507  -2.324
  114    HB2  ALA  18           2HB      ALA  18  -6.381   1.024  -1.440
  115    HB3  ALA  18           3HB      ALA  18  -5.711   0.837  -3.071
  116    H    SER  19           H        SER  19  -4.516   0.628   0.898
  117    HA   SER  19           HA       SER  19  -5.707  -1.823   2.098
  118    HB2  SER  19           1HB      SER  19  -3.146  -1.845   2.217
  119    HB3  SER  19           2HB      SER  19  -3.299  -0.499   3.362
  120    HG   SER  19           HG       SER  19  -4.350  -3.147   3.536
  121    H    ALA  20           H        ALA  20  -6.382  -1.524   4.336
  122    HA   ALA  20           HA       ALA  20  -7.698   1.093   4.764
  123    HB1  ALA  20           1HB      ALA  20  -8.051  -1.593   6.146
  124    HB2  ALA  20           2HB      ALA  20  -9.061  -0.149   6.373
  125    HB3  ALA  20           3HB      ALA  20  -9.040  -0.970   4.803
  126    H    ILE  21           H        ILE  21  -4.748  -0.166   5.618
  127    HA   ILE  21           HA       ILE  21  -4.585   1.379   8.174
  128    HB   ILE  21           HB       ILE  21  -3.483  -1.391   7.591
  129   HG12  ILE  21          1HG1      ILE  21  -5.571  -0.472   9.620
  130   HG13  ILE  21          2HG1      ILE  21  -5.893  -1.395   8.151
  131   HG21  ILE  21          1HG2      ILE  21  -2.568  -1.361   9.888
  132   HG22  ILE  21          2HG2      ILE  21  -1.851  -0.123   8.902
  133   HG23  ILE  21          3HG2      ILE  21  -3.107   0.324  10.085
  134   HD11  ILE  21          3HD1      ILE  21  -4.420  -2.388  10.603
  135   HD12  ILE  21          1HD1      ILE  21  -5.959  -2.940   9.936
  136   HD13  ILE  21          2HD1      ILE  21  -4.455  -3.256   9.047
  137    H    LYS  22           H        LYS  22  -2.882   2.716   8.326
  138    HA   LYS  22           HA       LYS  22  -1.240   3.375   6.100
  139    HB2  LYS  22           1HB      LYS  22  -1.927   4.838   8.050
  140    HB3  LYS  22           2HB      LYS  22  -0.720   4.013   9.037
  141    HG2  LYS  22           1HG      LYS  22   1.052   4.745   7.407
  142    HG3  LYS  22           2HG      LYS  22  -0.179   5.624   6.493
  143    HD2  LYS  22           1HD      LYS  22   0.581   6.135   9.407
  144    HD3  LYS  22           2HD      LYS  22   1.174   7.057   8.019
  145    HE2  LYS  22           1HE      LYS  22  -1.140   7.753   7.468
  146    HE3  LYS  22           2HE      LYS  22  -1.755   6.841   8.855
  147    HZ1  LYS  22           3HZ      LYS  22   0.125   9.137   9.025
  148    HZ2  LYS  22           1HZ      LYS  22  -0.437   8.294  10.306
  149    HZ3  LYS  22           2HZ      LYS  22  -1.460   9.186   9.403
  150    H    ALA  23           H        ALA  23  -0.448   1.418   8.969
  151    HA   ALA  23           HA       ALA  23   2.295   0.989   8.435
  152    HB1  ALA  23           1HB      ALA  23   1.159   0.531  10.586
  153    HB2  ALA  23           2HB      ALA  23   0.295  -0.835   9.833
  154    HB3  ALA  23           3HB      ALA  23   2.060  -0.884  10.003
  155    H    ASN  24           H        ASN  24  -0.549  -0.781   7.152
  156    HA   ASN  24           HA       ASN  24   0.922  -2.931   5.923
  157    HB2  ASN  24           1HB      ASN  24  -1.778  -1.657   5.289
  158    HB3  ASN  24           2HB      ASN  24  -1.160  -3.084   4.488
  159   HD21  ASN  24          1HD2      ASN  24  -3.521  -3.328   5.593
  160   HD22  ASN  24          2HD2      ASN  24  -3.419  -4.345   7.036
  161    H    LEU  25           H        LEU  25  -0.113   0.291   4.689
  162    HA   LEU  25           HA       LEU  25   1.146  -0.016   2.128
  163    HB2  LEU  25           1HB      LEU  25  -0.629   1.614   2.500
  164    HB3  LEU  25           2HB      LEU  25   0.346   2.459   3.709
  165    HG   LEU  25           HG       LEU  25   2.007   3.072   1.975
  166   HD11  LEU  25          1HD1      LEU  25   1.466   2.736  -0.412
  167   HD12  LEU  25          2HD1      LEU  25   0.072   1.722   0.044
  168   HD13  LEU  25          3HD1      LEU  25   1.734   1.200   0.395
  169   HD21  LEU  25          3HD2      LEU  25   0.113   4.576   2.465
  170   HD22  LEU  25          1HD2      LEU  25  -0.813   3.799   1.159
  171   HD23  LEU  25          2HD2      LEU  25   0.667   4.699   0.785
  172    H    ASN  26           H        ASN  26   2.353   1.316   5.255
  173    HA   ASN  26           HA       ASN  26   4.874   2.189   4.295
  174    HB2  ASN  26           1HB      ASN  26   3.876   2.662   6.547
  175    HB3  ASN  26           2HB      ASN  26   4.228   0.999   7.016
  176   HD21  ASN  26          1HD2      ASN  26   5.434   2.139   8.785
  177   HD22  ASN  26          2HD2      ASN  26   7.079   2.644   8.428
  178    H    VAL  27           H        VAL  27   3.996  -1.103   5.544
  179    HA   VAL  27           HA       VAL  27   6.564  -2.284   4.969
  180    HB   VAL  27           HB       VAL  27   3.776  -3.494   5.199
  181   HG11  VAL  27          1HG1      VAL  27   6.468  -4.927   5.096
  182   HG12  VAL  27          2HG1      VAL  27   4.936  -5.672   5.605
  183   HG13  VAL  27          3HG1      VAL  27   5.121  -5.108   3.947
  184   HG21  VAL  27          3HG2      VAL  27   4.701  -2.441   7.272
  185   HG22  VAL  27          1HG2      VAL  27   4.553  -4.194   7.427
  186   HG23  VAL  27          2HG2      VAL  27   6.145  -3.459   7.124
  187    H    HIS  28           H        HIS  28   3.640  -1.892   2.900
  188    HA   HIS  28           HA       HIS  28   4.713  -3.369   0.707
  189    HB2  HIS  28           1HB      HIS  28   2.343  -2.802   0.894
  190    HB3  HIS  28           2HB      HIS  28   2.702  -1.084   0.773
  191    HD1  HIS  28           1HD      HIS  28   2.430  -4.183  -1.450
  192    HD2  HIS  28           2HD      HIS  28   3.360  -0.091  -1.625
  193    HE1  HIS  28           1HE      HIS  28   2.542  -3.607  -3.922
  194    H    LEU  29           H        LEU  29   4.993   0.105   1.546
  195    HA   LEU  29           HA       LEU  29   6.605   0.860  -0.738
  196    HB2  LEU  29           1HB      LEU  29   6.299   2.044   2.020
  197    HB3  LEU  29           2HB      LEU  29   7.243   2.814   0.752
  198    HG   LEU  29           HG       LEU  29   4.356   2.103   0.279
  199   HD11  LEU  29          1HD1      LEU  29   5.624   4.557   1.589
  200   HD12  LEU  29          2HD1      LEU  29   4.534   3.405   2.371
  201   HD13  LEU  29          3HD1      LEU  29   3.904   4.475   1.093
  202   HD21  LEU  29          3HD2      LEU  29   6.201   4.215  -0.913
  203   HD22  LEU  29          1HD2      LEU  29   4.462   4.086  -1.228
  204   HD23  LEU  29          2HD2      LEU  29   5.533   2.785  -1.736
  205    H    ARG  30           H        ARG  30   7.452  -0.480   2.465
  206    HA   ARG  30           HA       ARG  30  10.190   0.099   2.334
  207    HB2  ARG  30           1HB      ARG  30   8.653  -2.155   3.675
  208    HB3  ARG  30           2HB      ARG  30  10.411  -2.126   3.735
  209    HG2  ARG  30           1HG      ARG  30  10.441   0.023   4.827
  210    HG3  ARG  30           2HG      ARG  30   8.711   0.225   4.649
  211    HD2  ARG  30           1HD      ARG  30   9.236  -0.414   6.925
  212    HD3  ARG  30           2HD      ARG  30   8.319  -1.709   6.142
  213    HE   ARG  30           HE       ARG  30  11.129  -2.243   5.840
  214   HH11  ARG  30          2HH1      ARG  30   8.759  -2.292   8.443
  215   HH12  ARG  30          1HH1      ARG  30   9.646  -3.524   9.300
  216   HH21  ARG  30          2HH2      ARG  30  12.135  -3.690   6.899
  217   HH22  ARG  30          1HH2      ARG  30  11.569  -4.326   8.449
  218    H    LYS  31           H        LYS  31   8.392  -2.126   0.420
  219    HA   LYS  31           HA       LYS  31  10.695  -3.641  -0.628
  220    HB2  LYS  31           1HB      LYS  31   7.834  -3.464  -1.658
  221    HB3  LYS  31           2HB      LYS  31   9.064  -4.614  -2.171
  222    HG2  LYS  31           1HG      LYS  31   9.142  -5.601   0.086
  223    HG3  LYS  31           2HG      LYS  31   7.928  -4.443   0.659
  224    HD2  LYS  31           1HD      LYS  31   6.308  -5.302  -1.010
  225    HD3  LYS  31           2HD      LYS  31   7.477  -6.525  -1.525
  226    HE2  LYS  31           1HE      LYS  31   6.375  -6.226   1.313
  227    HE3  LYS  31           2HE      LYS  31   5.714  -7.325   0.099
  228    HZ1  LYS  31           3HZ      LYS  31   7.872  -8.461   0.037
  229    HZ2  LYS  31           1HZ      LYS  31   7.254  -8.489   1.545
  230    HZ3  LYS  31           2HZ      LYS  31   8.475  -7.469   1.190
  231    H    HIS  32           H        HIS  32   8.953  -0.657  -1.464
  232    HA   HIS  32           HA       HIS  32  10.288  -0.444  -4.088
  233    HB2  HIS  32           1HB      HIS  32   8.493   1.426  -2.500
  234    HB3  HIS  32           2HB      HIS  32   9.125   1.764  -4.110
  235    HD1  HIS  32           1HD      HIS  32   8.500  -0.779  -5.726
  236    HD2  HIS  32           2HD      HIS  32   5.978   0.899  -2.809
  237    HE1  HIS  32           1HE      HIS  32   6.169  -1.592  -6.284
  238    H    THR  33           H        THR  33  10.626   1.061  -0.846
  239    HA   THR  33           HA       THR  33  13.259   2.205  -1.551
  240    HB   THR  33           HB       THR  33  11.558   3.788  -2.442
  241    HG1  THR  33           1HG      THR  33  12.531   5.572  -1.542
  242   HG21  THR  33          3HG2      THR  33  10.811   4.299   0.471
  243   HG22  THR  33          1HG2      THR  33   9.771   3.497  -0.727
  244   HG23  THR  33          2HG2      THR  33  10.241   5.187  -0.956
  245    H    GLY  34           H        GLY  34  14.199   3.452   0.291
  246    HA2  GLY  34           1HA      GLY  34  14.763   3.806   2.482
  247    HA3  GLY  34           2HA      GLY  34  13.148   3.268   2.939
  248    H    GLU  35           H        GLU  35  14.649   0.743   1.275
  249    HA   GLU  35           HA       GLU  35  16.097  -0.406   3.581
  250    HB2  GLU  35           1HB      GLU  35  13.606  -0.959   3.762
  251    HB3  GLU  35           2HB      GLU  35  13.789  -1.891   2.271
  252    HG2  GLU  35           1HG      GLU  35  15.458  -3.342   3.374
  253    HG3  GLU  35           2HG      GLU  35  15.349  -2.369   4.845
  254    H    LYS  36           H        LYS  36  17.622  -1.947   2.994
  255    HA   LYS  36           HA       LYS  36  17.856  -2.908   0.214
  256    HB2  LYS  36           1HB      LYS  36  18.984  -0.666   0.302
  257    HB3  LYS  36           2HB      LYS  36  20.075  -1.292   1.546
  258    HG2  LYS  36           1HG      LYS  36  20.912  -2.998  -0.049
  259    HG3  LYS  36           2HG      LYS  36  19.772  -2.417  -1.280
  260    HD2  LYS  36           1HD      LYS  36  20.862  -0.174  -1.200
  261    HD3  LYS  36           2HD      LYS  36  22.043  -0.786  -0.038
  262    HE2  LYS  36           1HE      LYS  36  21.613  -1.876  -2.862
  263    HE3  LYS  36           2HE      LYS  36  22.843  -0.689  -2.424
  264    HZ1  LYS  36           3HZ      LYS  36  23.782  -2.908  -2.453
  265    HZ2  LYS  36           1HZ      LYS  36  22.707  -3.459  -1.359
  266    HZ3  LYS  36           2HZ      LYS  36  23.824  -2.344  -0.924
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -11.391  -2.900  -6.796
    2    H2   GLY   1           2H       GLY   1 -10.253  -4.067  -6.644
    3    H3   GLY   1           3H       GLY   1 -10.635  -3.485  -8.127
    4    HA2  GLY   1           1HA      GLY   1  -8.517  -2.589  -7.406
    5    HA3  GLY   1           2HA      GLY   1  -9.740  -1.318  -7.591
    6    H    SER   2           H        SER   2  -9.714   0.108  -5.947
    7    HA   SER   2           HA       SER   2  -8.602  -0.539  -3.305
    8    HB2  SER   2           1HB      SER   2  -9.838   2.030  -4.359
    9    HB3  SER   2           2HB      SER   2  -8.994   1.834  -2.812
   10    HG   SER   2           HG       SER   2  -7.870   1.422  -5.405
   11    H    SER   3           H        SER   3 -10.702  -2.204  -3.686
   12    HA   SER   3           HA       SER   3 -13.281  -1.205  -3.078
   13    HB2  SER   3           1HB      SER   3 -12.301  -4.065  -2.815
   14    HB3  SER   3           2HB      SER   3 -13.966  -3.512  -3.076
   15    HG   SER   3           HG       SER   3 -13.080  -4.147  -5.042
   16    H    GLY   4           H        GLY   4 -14.528  -1.129  -1.291
   17    HA2  GLY   4           1HA      GLY   4 -14.247  -2.488   1.156
   18    HA3  GLY   4           2HA      GLY   4 -13.409  -0.941   1.334
   19    H    SER   5           H        SER   5 -15.428  -1.146   3.014
   20    HA   SER   5           HA       SER   5 -18.080  -0.675   2.154
   21    HB2  SER   5           1HB      SER   5 -18.448   0.128   4.478
   22    HB3  SER   5           2HB      SER   5 -17.577  -1.411   4.391
   23    HG   SER   5           HG       SER   5 -16.610   0.061   5.879
   24    H    SER   6           H        SER   6 -15.486   1.644   2.668
   25    HA   SER   6           HA       SER   6 -17.018   3.651   1.109
   26    HB2  SER   6           1HB      SER   6 -17.046   4.120   3.653
   27    HB3  SER   6           2HB      SER   6 -15.331   4.525   3.470
   28    HG   SER   6           HG       SER   6 -16.733   6.354   3.244
   29    H    GLY   7           H        GLY   7 -15.069   1.693   0.359
   30    HA2  GLY   7           1HA      GLY   7 -13.166   1.428  -0.901
   31    HA3  GLY   7           2HA      GLY   7 -12.974   3.175  -0.990
   32    H    LYS   8           H        LYS   8 -10.772   1.649  -0.819
   33    HA   LYS   8           HA       LYS   8  -9.717   1.744   1.962
   34    HB2  LYS   8           1HB      LYS   8  -8.621   0.673  -0.649
   35    HB3  LYS   8           2HB      LYS   8  -7.622   0.845   0.792
   36    HG2  LYS   8           1HG      LYS   8  -8.958  -0.664   2.071
   37    HG3  LYS   8           2HG      LYS   8 -10.252  -0.676   0.867
   38    HD2  LYS   8           1HD      LYS   8  -8.809  -1.816  -0.753
   39    HD3  LYS   8           2HD      LYS   8  -7.437  -1.718   0.365
   40    HE2  LYS   8           1HE      LYS   8  -8.655  -3.121   2.003
   41    HE3  LYS   8           2HE      LYS   8 -10.038  -3.209   0.907
   42    HZ1  LYS   8           3HZ      LYS   8  -8.602  -5.169   0.713
   43    HZ2  LYS   8           1HZ      LYS   8  -7.322  -4.251   0.279
   44    HZ3  LYS   8           2HZ      LYS   8  -8.628  -4.357  -0.701
   45    HA   PRO   9           HA       PRO   9  -8.302   5.849   0.906
   46    HB2  PRO   9           1HB      PRO   9  -7.289   6.673   3.301
   47    HB3  PRO   9           2HB      PRO   9  -9.030   6.445   3.003
   48    HG2  PRO   9           1HG      PRO   9  -7.103   4.564   4.352
   49    HG3  PRO   9           2HG      PRO   9  -8.744   5.004   4.882
   50    HD2  PRO   9           1HD      PRO   9  -8.146   2.691   3.474
   51    HD3  PRO   9           2HD      PRO   9  -9.716   3.521   3.375
   52    H    TYR  10           H        TYR  10  -5.987   3.651   2.579
   53    HA   TYR  10           HA       TYR  10  -3.724   5.291   1.776
   54    HB2  TYR  10           1HB      TYR  10  -3.756   2.545   3.090
   55    HB3  TYR  10           2HB      TYR  10  -2.392   3.644   3.002
   56    HD1  TYR  10           2HD      TYR  10  -2.540   5.907   4.218
   57    HD2  TYR  10           1HD      TYR  10  -5.364   2.704   4.834
   58    HE1  TYR  10           2HE      TYR  10  -3.271   6.956   6.355
   59    HE2  TYR  10           1HE      TYR  10  -6.054   3.723   6.991
   60    HH   TYR  10           HH       TYR  10  -4.649   6.802   8.185
   61    H    LYS  11           H        LYS  11  -2.726   5.113  -0.211
   62    HA   LYS  11           HA       LYS  11  -2.857   2.529  -1.710
   63    HB2  LYS  11           1HB      LYS  11  -3.290   5.274  -2.926
   64    HB3  LYS  11           2HB      LYS  11  -3.375   3.704  -3.729
   65    HG2  LYS  11           1HG      LYS  11  -5.305   3.124  -2.152
   66    HG3  LYS  11           2HG      LYS  11  -5.263   4.808  -1.623
   67    HD2  LYS  11           1HD      LYS  11  -5.588   5.489  -4.043
   68    HD3  LYS  11           2HD      LYS  11  -5.820   3.779  -4.426
   69    HE2  LYS  11           1HE      LYS  11  -8.003   4.701  -4.174
   70    HE3  LYS  11           2HE      LYS  11  -7.693   3.710  -2.746
   71    HZ1  LYS  11           3HZ      LYS  11  -7.491   6.676  -2.868
   72    HZ2  LYS  11           1HZ      LYS  11  -7.127   5.777  -1.546
   73    HZ3  LYS  11           2HZ      LYS  11  -8.658   5.817  -2.108
   74    H    CYS  12           H        CYS  12  -1.224   2.062  -3.136
   75    HA   CYS  12           HA       CYS  12   1.380   3.114  -2.509
   76    HB2  CYS  12           1HB      CYS  12   1.003   0.783  -2.985
   77    HB3  CYS  12           2HB      CYS  12   0.416   1.173  -4.614
   78    HA   PRO  13           HA       PRO  13   1.404   6.284  -5.754
   79    HB2  PRO  13           1HB      PRO  13   4.014   7.068  -5.615
   80    HB3  PRO  13           2HB      PRO  13   2.822   7.443  -4.335
   81    HG2  PRO  13           1HG      PRO  13   4.835   5.173  -4.403
   82    HG3  PRO  13           2HG      PRO  13   4.512   6.326  -3.068
   83    HD2  PRO  13           1HD      PRO  13   3.393   3.834  -3.177
   84    HD3  PRO  13           2HD      PRO  13   2.506   5.223  -2.487
   85    H    GLN  14           H        GLN  14   3.027   3.239  -5.886
   86    HA   GLN  14           HA       GLN  14   3.787   3.667  -8.761
   87    HB2  GLN  14           1HB      GLN  14   5.051   1.809  -6.717
   88    HB3  GLN  14           2HB      GLN  14   5.458   1.902  -8.436
   89    HG2  GLN  14           1HG      GLN  14   6.076   4.328  -8.105
   90    HG3  GLN  14           2HG      GLN  14   5.811   4.117  -6.373
   91   HE21  GLN  14          1HE2      GLN  14   8.157   4.897  -6.367
   92   HE22  GLN  14          2HE2      GLN  14   9.389   3.655  -6.544
   93    H    CYS  15           H        CYS  15   1.987   1.575  -6.569
   94    HA   CYS  15           HA       CYS  15   1.330  -0.270  -8.841
   95    HB2  CYS  15           1HB      CYS  15   0.891  -0.828  -5.906
   96    HB3  CYS  15           2HB      CYS  15   0.916  -1.974  -7.242
   97    H    SER  16           H        SER  16  -0.821  -1.393  -8.523
   98    HA   SER  16           HA       SER  16  -3.053   0.488  -8.079
   99    HB2  SER  16           1HB      SER  16  -2.861  -1.260  -9.962
  100    HB3  SER  16           2HB      SER  16  -3.273  -2.463  -8.728
  101    HG   SER  16           HG       SER  16  -5.109  -1.638  -9.879
  102    H    TYR  17           H        TYR  17  -1.128  -1.000  -5.968
  103    HA   TYR  17           HA       TYR  17  -2.780  -2.522  -4.212
  104    HB2  TYR  17           1HB      TYR  17  -0.365  -2.722  -4.225
  105    HB3  TYR  17           2HB      TYR  17  -0.172  -1.030  -3.805
  106    HD1  TYR  17           1HD      TYR  17  -0.674  -0.193  -1.497
  107    HD2  TYR  17           2HD      TYR  17  -0.922  -4.385  -2.527
  108    HE1  TYR  17           1HE      TYR  17  -0.662  -0.785   0.905
  109    HE2  TYR  17           2HE      TYR  17  -0.896  -4.970  -0.108
  110    HH   TYR  17           HH       TYR  17  -0.800  -4.188   2.029
  111    H    ALA  18           H        ALA  18  -4.063  -1.994  -2.565
  112    HA   ALA  18           HA       ALA  18  -3.833   0.598  -1.240
  113    HB1  ALA  18           1HB      ALA  18  -6.239   1.055  -1.330
  114    HB2  ALA  18           2HB      ALA  18  -5.582   0.958  -2.970
  115    HB3  ALA  18           3HB      ALA  18  -6.503  -0.410  -2.306
  116    H    SER  19           H        SER  19  -4.633   0.620   0.890
  117    HA   SER  19           HA       SER  19  -5.717  -1.878   2.051
  118    HB2  SER  19           1HB      SER  19  -3.163  -1.889   2.256
  119    HB3  SER  19           2HB      SER  19  -3.352  -0.540   3.391
  120    HG   SER  19           HG       SER  19  -4.404  -3.191   3.552
  121    H    ALA  20           H        ALA  20  -6.458  -1.613   4.276
  122    HA   ALA  20           HA       ALA  20  -7.776   0.999   4.738
  123    HB1  ALA  20           1HB      ALA  20  -9.142  -0.270   6.328
  124    HB2  ALA  20           2HB      ALA  20  -9.119  -1.073   4.749
  125    HB3  ALA  20           3HB      ALA  20  -8.129  -1.709   6.085
  126    H    ILE  21           H        ILE  21  -4.828  -0.288   5.579
  127    HA   ILE  21           HA       ILE  21  -4.662   1.251   8.140
  128    HB   ILE  21           HB       ILE  21  -3.524  -1.501   7.544
  129   HG12  ILE  21          1HG1      ILE  21  -5.646  -0.633   9.560
  130   HG13  ILE  21          2HG1      ILE  21  -5.936  -1.557   8.085
  131   HG21  ILE  21          1HG2      ILE  21  -1.929  -0.198   8.878
  132   HG22  ILE  21          2HG2      ILE  21  -3.205   0.201  10.055
  133   HG23  ILE  21          3HG2      ILE  21  -2.622  -1.466   9.844
  134   HD11  ILE  21          3HD1      ILE  21  -5.987  -3.107   9.868
  135   HD12  ILE  21          1HD1      ILE  21  -4.470  -3.392   8.990
  136   HD13  ILE  21          2HD1      ILE  21  -4.463  -2.525  10.548
  137    H    LYS  22           H        LYS  22  -2.980   2.628   8.254
  138    HA   LYS  22           HA       LYS  22  -1.361   3.223   5.986
  139    HB2  LYS  22           1HB      LYS  22  -2.098   4.770   7.863
  140    HB3  LYS  22           2HB      LYS  22  -0.845   4.054   8.874
  141    HG2  LYS  22           1HG      LYS  22   0.889   4.798   7.255
  142    HG3  LYS  22           2HG      LYS  22  -0.376   5.451   6.196
  143    HD2  LYS  22           1HD      LYS  22  -1.057   7.030   7.989
  144    HD3  LYS  22           2HD      LYS  22   0.210   6.372   9.048
  145    HE2  LYS  22           1HE      LYS  22   1.937   7.046   7.387
  146    HE3  LYS  22           2HE      LYS  22   0.675   7.704   6.340
  147    HZ1  LYS  22           3HZ      LYS  22   1.696   9.442   7.695
  148    HZ2  LYS  22           1HZ      LYS  22   1.293   8.681   9.080
  149    HZ3  LYS  22           2HZ      LYS  22   0.126   9.292   8.110
  150    H    ALA  23           H        ALA  23  -0.565   1.371   8.915
  151    HA   ALA  23           HA       ALA  23   2.202   0.998   8.436
  152    HB1  ALA  23           1HB      ALA  23   1.042   0.546  10.576
  153    HB2  ALA  23           2HB      ALA  23   0.219  -0.847   9.830
  154    HB3  ALA  23           3HB      ALA  23   1.981  -0.856  10.026
  155    H    ASN  24           H        ASN  24  -0.590  -0.843   7.139
  156    HA   ASN  24           HA       ASN  24   0.937  -2.968   5.938
  157    HB2  ASN  24           1HB      ASN  24  -1.781  -1.752   5.262
  158    HB3  ASN  24           2HB      ASN  24  -1.126  -3.173   4.482
  159   HD21  ASN  24          1HD2      ASN  24  -3.507  -3.420   5.577
  160   HD22  ASN  24          2HD2      ASN  24  -3.399  -4.442   7.016
  161    H    LEU  25           H        LEU  25  -0.161   0.220   4.675
  162    HA   LEU  25           HA       LEU  25   1.122  -0.050   2.125
  163    HB2  LEU  25           1HB      LEU  25  -0.672   1.562   2.510
  164    HB3  LEU  25           2HB      LEU  25   0.295   2.407   3.722
  165    HG   LEU  25           HG       LEU  25   1.949   3.052   1.995
  166   HD11  LEU  25          1HD1      LEU  25   1.411   2.726  -0.395
  167   HD12  LEU  25          2HD1      LEU  25   0.032   1.690   0.053
  168   HD13  LEU  25          3HD1      LEU  25   1.702   1.186   0.401
  169   HD21  LEU  25          3HD2      LEU  25  -0.885   3.730   1.190
  170   HD22  LEU  25          1HD2      LEU  25   0.576   4.659   0.803
  171   HD23  LEU  25          2HD2      LEU  25   0.037   4.528   2.488
  172    H    ASN  26           H        ASN  26   2.298   1.291   5.264
  173    HA   ASN  26           HA       ASN  26   4.804   2.211   4.315
  174    HB2  ASN  26           1HB      ASN  26   3.780   2.667   6.561
  175    HB3  ASN  26           2HB      ASN  26   4.175   1.014   7.038
  176   HD21  ASN  26          1HD2      ASN  26   5.348   2.186   8.806
  177   HD22  ASN  26          2HD2      ASN  26   6.977   2.738   8.452
  178    H    VAL  27           H        VAL  27   3.991  -1.094   5.572
  179    HA   VAL  27           HA       VAL  27   6.583  -2.225   5.020
  180    HB   VAL  27           HB       VAL  27   3.829  -3.499   5.231
  181   HG11  VAL  27          1HG1      VAL  27   5.043  -5.641   5.656
  182   HG12  VAL  27          2HG1      VAL  27   5.233  -5.078   3.997
  183   HG13  VAL  27          3HG1      VAL  27   6.559  -4.855   5.163
  184   HG21  VAL  27          3HG2      VAL  27   4.598  -4.168   7.467
  185   HG22  VAL  27          1HG2      VAL  27   6.170  -3.382   7.182
  186   HG23  VAL  27          2HG2      VAL  27   4.688  -2.412   7.305
  187    H    HIS  28           H        HIS  28   3.664  -1.901   2.931
  188    HA   HIS  28           HA       HIS  28   4.778  -3.349   0.744
  189    HB2  HIS  28           1HB      HIS  28   2.396  -2.827   0.914
  190    HB3  HIS  28           2HB      HIS  28   2.723  -1.102   0.800
  191    HD1  HIS  28           1HD      HIS  28   2.505  -4.195  -1.430
  192    HD2  HIS  28           2HD      HIS  28   3.378  -0.089  -1.594
  193    HE1  HIS  28           1HE      HIS  28   2.610  -3.610  -3.900
  194    H    LEU  29           H        LEU  29   4.990   0.126   1.592
  195    HA   LEU  29           HA       LEU  29   6.578   0.923  -0.687
  196    HB2  LEU  29           1HB      LEU  29   6.263   2.094   2.080
  197    HB3  LEU  29           2HB      LEU  29   7.191   2.876   0.802
  198    HG   LEU  29           HG       LEU  29   4.315   2.116   0.348
  199   HD11  LEU  29          1HD1      LEU  29   3.839   4.494   1.122
  200   HD12  LEU  29          2HD1      LEU  29   5.562   4.605   1.608
  201   HD13  LEU  29          3HD1      LEU  29   4.488   3.453   2.415
  202   HD21  LEU  29          3HD2      LEU  29   4.396   4.087  -1.182
  203   HD22  LEU  29          1HD2      LEU  29   5.462   2.778  -1.686
  204   HD23  LEU  29          2HD2      LEU  29   6.139   4.220  -0.890
  205    H    ARG  30           H        ARG  30   7.493  -0.413   2.499
  206    HA   ARG  30           HA       ARG  30  10.211   0.243   2.349
  207    HB2  ARG  30           1HB      ARG  30   8.814  -2.172   3.574
  208    HB3  ARG  30           2HB      ARG  30  10.562  -2.012   3.637
  209    HG2  ARG  30           1HG      ARG  30  10.406   0.109   4.842
  210    HG3  ARG  30           2HG      ARG  30   8.656   0.092   4.719
  211    HD2  ARG  30           1HD      ARG  30   9.187  -0.653   6.911
  212    HD3  ARG  30           2HD      ARG  30   8.624  -2.067   6.004
  213    HE   ARG  30           HE       ARG  30  11.536  -1.729   5.964
  214   HH11  ARG  30          2HH1      ARG  30   8.983  -3.000   7.995
  215   HH12  ARG  30          1HH1      ARG  30  10.052  -4.128   8.782
  216   HH21  ARG  30          2HH2      ARG  30  12.845  -3.216   6.987
  217   HH22  ARG  30          1HH2      ARG  30  12.172  -4.223   8.239
  218    H    LYS  31           H        LYS  31   8.441  -2.086   0.463
  219    HA   LYS  31           HA       LYS  31  10.762  -3.483  -0.665
  220    HB2  LYS  31           1HB      LYS  31   7.878  -3.390  -1.639
  221    HB3  LYS  31           2HB      LYS  31   9.131  -4.503  -2.177
  222    HG2  LYS  31           1HG      LYS  31   9.291  -5.482   0.079
  223    HG3  LYS  31           2HG      LYS  31   8.054  -4.362   0.677
  224    HD2  LYS  31           1HD      LYS  31   6.423  -5.276  -0.947
  225    HD3  LYS  31           2HD      LYS  31   7.617  -6.459  -1.494
  226    HE2  LYS  31           1HE      LYS  31   6.583  -6.199   1.372
  227    HE3  LYS  31           2HE      LYS  31   5.923  -7.316   0.176
  228    HZ1  LYS  31           3HZ      LYS  31   7.536  -8.435   1.575
  229    HZ2  LYS  31           1HZ      LYS  31   8.716  -7.377   1.189
  230    HZ3  LYS  31           2HZ      LYS  31   8.112  -8.386   0.051
  231    H    HIS  32           H        HIS  32   8.928  -0.553  -1.462
  232    HA   HIS  32           HA       HIS  32  10.248  -0.238  -4.076
  233    HB2  HIS  32           1HB      HIS  32   8.435   1.532  -2.401
  234    HB3  HIS  32           2HB      HIS  32   9.072   1.986  -3.985
  235    HD1  HIS  32           1HD      HIS  32   8.504  -0.317  -5.841
  236    HD2  HIS  32           2HD      HIS  32   5.954   0.826  -2.703
  237    HE1  HIS  32           1HE      HIS  32   6.239  -1.280  -6.419
  238    H    THR  33           H        THR  33  10.690   1.062  -0.760
  239    HA   THR  33           HA       THR  33  12.831   2.876  -1.674
  240    HB   THR  33           HB       THR  33  12.795   3.722   0.621
  241    HG1  THR  33           1HG      THR  33  11.270   2.920   2.055
  242   HG21  THR  33          3HG2      THR  33  11.174   4.620  -1.049
  243   HG22  THR  33          1HG2      THR  33  10.571   4.702   0.614
  244   HG23  THR  33          2HG2      THR  33   9.964   3.447  -0.485
  245    H    GLY  34           H        GLY  34  12.755  -0.294  -0.417
  246    HA2  GLY  34           1HA      GLY  34  14.677  -1.700  -0.122
  247    HA3  GLY  34           2HA      GLY  34  15.665  -0.294   0.281
  248    H    GLU  35           H        GLU  35  14.247  -2.933   1.593
  249    HA   GLU  35           HA       GLU  35  12.944  -1.772   3.878
  250    HB2  GLU  35           1HB      GLU  35  12.200  -3.940   4.358
  251    HB3  GLU  35           2HB      GLU  35  12.182  -3.798   2.615
  252    HG2  GLU  35           1HG      GLU  35  14.242  -5.278   4.312
  253    HG3  GLU  35           2HG      GLU  35  12.948  -6.002   3.376
  254    H    LYS  36           H        LYS  36  16.137  -2.104   3.503
  255    HA   LYS  36           HA       LYS  36  16.877  -3.442   5.992
  256    HB2  LYS  36           1HB      LYS  36  18.695  -2.054   3.988
  257    HB3  LYS  36           2HB      LYS  36  19.148  -3.229   5.230
  258    HG2  LYS  36           1HG      LYS  36  17.632  -4.908   4.053
  259    HG3  LYS  36           2HG      LYS  36  17.467  -3.725   2.737
  260    HD2  LYS  36           1HD      LYS  36  20.019  -3.733   2.577
  261    HD3  LYS  36           2HD      LYS  36  20.002  -5.129   3.661
  262    HE2  LYS  36           1HE      LYS  36  18.728  -4.903   0.896
  263    HE3  LYS  36           2HE      LYS  36  20.159  -5.843   1.326
  264    HZ1  LYS  36           3HZ      LYS  36  18.671  -7.192   2.787
  265    HZ2  LYS  36           1HZ      LYS  36  18.261  -7.290   1.208
  266    HZ3  LYS  36           2HZ      LYS  36  17.367  -6.367   2.207
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  -3.986  -7.621 -10.974
    2    H2   GLY   1           2H       GLY   1  -4.336  -6.453  -9.878
    3    H3   GLY   1           3H       GLY   1  -3.030  -6.296 -10.851
    4    HA2  GLY   1           1HA      GLY   1  -4.415  -6.112 -12.805
    5    HA3  GLY   1           2HA      GLY   1  -5.836  -6.318 -11.764
    6    H    SER   2           H        SER   2  -5.033  -4.039 -13.537
    7    HA   SER   2           HA       SER   2  -4.005  -1.864 -12.013
    8    HB2  SER   2           1HB      SER   2  -4.814  -0.486 -13.919
    9    HB3  SER   2           2HB      SER   2  -3.858  -1.895 -14.407
   10    HG   SER   2           HG       SER   2  -5.772  -1.647 -15.672
   11    H    SER   3           H        SER   3  -7.276  -3.102 -12.138
   12    HA   SER   3           HA       SER   3  -8.711  -0.802 -11.295
   13    HB2  SER   3           1HB      SER   3  -9.304  -3.720 -10.674
   14    HB3  SER   3           2HB      SER   3 -10.459  -2.373 -10.649
   15    HG   SER   3           HG       SER   3 -10.565  -3.557 -12.612
   16    H    GLY   4           H        GLY   4  -6.549  -2.815  -9.416
   17    HA2  GLY   4           1HA      GLY   4  -5.850  -2.650  -7.219
   18    HA3  GLY   4           2HA      GLY   4  -6.695  -1.105  -7.129
   19    H    SER   5           H        SER   5  -7.624  -1.302  -5.137
   20    HA   SER   5           HA       SER   5  -9.826  -3.262  -4.837
   21    HB2  SER   5           1HB      SER   5  -7.750  -4.145  -3.691
   22    HB3  SER   5           2HB      SER   5  -7.837  -2.749  -2.606
   23    HG   SER   5           HG       SER   5  -9.776  -4.817  -2.999
   24    H    SER   6           H        SER   6 -11.572  -2.549  -3.721
   25    HA   SER   6           HA       SER   6 -11.882   0.352  -3.669
   26    HB2  SER   6           1HB      SER   6 -13.917  -1.870  -3.291
   27    HB3  SER   6           2HB      SER   6 -14.278  -0.150  -3.530
   28    HG   SER   6           HG       SER   6 -14.397  -1.348  -5.492
   29    H    GLY   7           H        GLY   7 -13.005   1.551  -2.047
   30    HA2  GLY   7           1HA      GLY   7 -13.582   2.237   0.063
   31    HA3  GLY   7           2HA      GLY   7 -13.671   0.542   0.545
   32    H    LYS   8           H        LYS   8 -10.631   1.648  -0.675
   33    HA   LYS   8           HA       LYS   8  -9.400   1.533   2.059
   34    HB2  LYS   8           1HB      LYS   8  -8.648   0.246  -0.569
   35    HB3  LYS   8           2HB      LYS   8  -7.493   0.422   0.750
   36    HG2  LYS   8           1HG      LYS   8  -8.790  -0.934   2.242
   37    HG3  LYS   8           2HG      LYS   8 -10.201  -0.881   1.189
   38    HD2  LYS   8           1HD      LYS   8  -8.917  -2.119  -0.562
   39    HD3  LYS   8           2HD      LYS   8  -7.568  -2.285   0.584
   40    HE2  LYS   8           1HE      LYS   8  -9.056  -3.499   2.154
   41    HE3  LYS   8           2HE      LYS   8 -10.418  -3.267   1.047
   42    HZ1  LYS   8           3HZ      LYS   8  -9.193  -4.561  -0.620
   43    HZ2  LYS   8           1HZ      LYS   8  -9.463  -5.455   0.727
   44    HZ3  LYS   8           2HZ      LYS   8  -7.975  -4.842   0.437
   45    HA   PRO   9           HA       PRO   9  -8.148   5.565   0.468
   46    HB2  PRO   9           1HB      PRO   9  -7.303   6.730   2.788
   47    HB3  PRO   9           2HB      PRO   9  -9.026   6.413   2.431
   48    HG2  PRO   9           1HG      PRO   9  -7.115   4.757   4.082
   49    HG3  PRO   9           2HG      PRO   9  -8.770   5.247   4.517
   50    HD2  PRO   9           1HD      PRO   9  -8.186   2.787   3.451
   51    HD3  PRO   9           2HD      PRO   9  -9.714   3.629   3.112
   52    H    TYR  10           H        TYR  10  -5.928   3.553   2.438
   53    HA   TYR  10           HA       TYR  10  -3.643   5.210   1.742
   54    HB2  TYR  10           1HB      TYR  10  -3.762   2.542   3.181
   55    HB3  TYR  10           2HB      TYR  10  -2.376   3.623   3.092
   56    HD1  TYR  10           2HD      TYR  10  -2.594   5.982   4.111
   57    HD2  TYR  10           1HD      TYR  10  -5.450   2.830   4.831
   58    HE1  TYR  10           2HE      TYR  10  -3.453   7.204   6.111
   59    HE2  TYR  10           1HE      TYR  10  -6.272   4.020   6.837
   60    HH   TYR  10           HH       TYR  10  -6.077   5.886   8.168
   61    H    LYS  11           H        LYS  11  -3.252   5.151  -0.415
   62    HA   LYS  11           HA       LYS  11  -2.956   2.525  -1.800
   63    HB2  LYS  11           1HB      LYS  11  -3.400   5.248  -3.054
   64    HB3  LYS  11           2HB      LYS  11  -3.366   3.680  -3.869
   65    HG2  LYS  11           1HG      LYS  11  -5.373   3.046  -2.345
   66    HG3  LYS  11           2HG      LYS  11  -5.478   4.776  -1.984
   67    HD2  LYS  11           1HD      LYS  11  -5.541   5.191  -4.494
   68    HD3  LYS  11           2HD      LYS  11  -5.712   3.451  -4.722
   69    HE2  LYS  11           1HE      LYS  11  -7.624   5.275  -3.187
   70    HE3  LYS  11           2HE      LYS  11  -7.859   4.687  -4.833
   71    HZ1  LYS  11           3HZ      LYS  11  -7.848   2.387  -3.876
   72    HZ2  LYS  11           1HZ      LYS  11  -9.097   3.305  -3.369
   73    HZ3  LYS  11           2HZ      LYS  11  -7.851   3.050  -2.359
   74    H    CYS  12           H        CYS  12  -1.294   2.078  -3.180
   75    HA   CYS  12           HA       CYS  12   1.296   3.107  -2.447
   76    HB2  CYS  12           1HB      CYS  12   0.946   0.793  -2.997
   77    HB3  CYS  12           2HB      CYS  12   0.429   1.233  -4.630
   78    HA   PRO  13           HA       PRO  13   1.609   6.426  -5.547
   79    HB2  PRO  13           1HB      PRO  13   4.559   5.969  -5.220
   80    HB3  PRO  13           2HB      PRO  13   3.632   7.491  -5.090
   81    HG2  PRO  13           1HG      PRO  13   4.582   6.215  -2.876
   82    HG3  PRO  13           2HG      PRO  13   2.961   6.984  -2.872
   83    HD2  PRO  13           1HD      PRO  13   3.625   4.042  -3.284
   84    HD3  PRO  13           2HD      PRO  13   2.383   4.817  -2.249
   85    H    GLN  14           H        GLN  14   3.130   3.256  -5.793
   86    HA   GLN  14           HA       GLN  14   3.808   3.694  -8.682
   87    HB2  GLN  14           1HB      GLN  14   5.029   1.769  -6.670
   88    HB3  GLN  14           2HB      GLN  14   5.460   1.915  -8.380
   89    HG2  GLN  14           1HG      GLN  14   6.083   4.335  -7.943
   90    HG3  GLN  14           2HG      GLN  14   5.817   4.038  -6.223
   91   HE21  GLN  14          1HE2      GLN  14   8.174   4.820  -6.211
   92   HE22  GLN  14          2HE2      GLN  14   9.397   3.578  -6.440
   93    H    CYS  15           H        CYS  15   1.981   1.616  -6.512
   94    HA   CYS  15           HA       CYS  15   1.262  -0.201  -8.788
   95    HB2  CYS  15           1HB      CYS  15   0.821  -0.760  -5.853
   96    HB3  CYS  15           2HB      CYS  15   0.825  -1.901  -7.195
   97    H    SER  16           H        SER  16  -0.937  -1.251  -8.475
   98    HA   SER  16           HA       SER  16  -3.096   0.690  -7.973
   99    HB2  SER  16           1HB      SER  16  -4.554  -1.144  -8.702
  100    HB3  SER  16           2HB      SER  16  -3.266  -0.829  -9.873
  101    HG   SER  16           HG       SER  16  -3.628  -3.097  -9.344
  102    H    TYR  17           H        TYR  17  -1.173  -1.055  -5.958
  103    HA   TYR  17           HA       TYR  17  -2.789  -2.473  -4.163
  104    HB2  TYR  17           1HB      TYR  17  -0.381  -2.635  -4.166
  105    HB3  TYR  17           2HB      TYR  17  -0.213  -0.935  -3.774
  106    HD1  TYR  17           1HD      TYR  17  -0.698  -0.070  -1.470
  107    HD2  TYR  17           2HD      TYR  17  -0.886  -4.281  -2.436
  108    HE1  TYR  17           1HE      TYR  17  -0.698  -0.627   0.941
  109    HE2  TYR  17           2HE      TYR  17  -0.824  -4.827  -0.008
  110    HH   TYR  17           HH       TYR  17  -0.712  -3.996   2.118
  111    H    ALA  18           H        ALA  18  -4.066  -1.979  -2.478
  112    HA   ALA  18           HA       ALA  18  -3.998   0.685  -1.256
  113    HB1  ALA  18           1HB      ALA  18  -5.728   0.825  -3.036
  114    HB2  ALA  18           2HB      ALA  18  -6.595  -0.533  -2.278
  115    HB3  ALA  18           3HB      ALA  18  -6.401   1.006  -1.402
  116    H    SER  19           H        SER  19  -4.669   0.754   0.860
  117    HA   SER  19           HA       SER  19  -5.568  -1.746   2.226
  118    HB2  SER  19           1HB      SER  19  -3.121  -1.580   2.436
  119    HB3  SER  19           2HB      SER  19  -3.281   0.062   3.087
  120    HG   SER  19           HG       SER  19  -3.286  -1.041   4.885
  121    H    ALA  20           H        ALA  20  -6.559  -1.437   4.243
  122    HA   ALA  20           HA       ALA  20  -7.906   1.160   4.728
  123    HB1  ALA  20           1HB      ALA  20  -9.259  -0.143   6.308
  124    HB2  ALA  20           2HB      ALA  20  -9.247  -0.909   4.710
  125    HB3  ALA  20           3HB      ALA  20  -8.245  -1.573   6.024
  126    H    ILE  21           H        ILE  21  -5.021  -0.288   5.605
  127    HA   ILE  21           HA       ILE  21  -4.751   1.282   8.139
  128    HB   ILE  21           HB       ILE  21  -3.571  -1.466   7.574
  129   HG12  ILE  21          1HG1      ILE  21  -5.854  -0.746   9.467
  130   HG13  ILE  21          2HG1      ILE  21  -6.021  -1.625   7.945
  131   HG21  ILE  21          1HG2      ILE  21  -2.162  -0.031   9.045
  132   HG22  ILE  21          2HG2      ILE  21  -3.553   0.222  10.123
  133   HG23  ILE  21          3HG2      ILE  21  -2.820  -1.383   9.927
  134   HD11  ILE  21          3HD1      ILE  21  -4.616  -2.615  10.439
  135   HD12  ILE  21          1HD1      ILE  21  -6.067  -3.256   9.658
  136   HD13  ILE  21          2HD1      ILE  21  -4.492  -3.407   8.848
  137    H    LYS  22           H        LYS  22  -3.120   2.698   8.080
  138    HA   LYS  22           HA       LYS  22  -1.478   3.116   5.797
  139    HB2  LYS  22           1HB      LYS  22  -2.258   4.793   7.535
  140    HB3  LYS  22           2HB      LYS  22  -1.010   4.178   8.618
  141    HG2  LYS  22           1HG      LYS  22   0.739   4.825   6.975
  142    HG3  LYS  22           2HG      LYS  22  -0.518   5.368   5.845
  143    HD2  LYS  22           1HD      LYS  22  -1.259   7.069   7.505
  144    HD3  LYS  22           2HD      LYS  22   0.009   6.521   8.623
  145    HE2  LYS  22           1HE      LYS  22   1.740   7.100   6.931
  146    HE3  LYS  22           2HE      LYS  22   0.476   7.649   5.822
  147    HZ1  LYS  22           3HZ      LYS  22  -0.124   9.357   7.458
  148    HZ2  LYS  22           1HZ      LYS  22   1.447   9.509   7.047
  149    HZ3  LYS  22           2HZ      LYS  22   1.044   8.850   8.484
  150    H    ALA  23           H        ALA  23  -0.705   1.431   8.833
  151    HA   ALA  23           HA       ALA  23   2.090   1.142   8.386
  152    HB1  ALA  23           1HB      ALA  23   1.944  -0.587  10.110
  153    HB2  ALA  23           2HB      ALA  23   0.982   0.837  10.553
  154    HB3  ALA  23           3HB      ALA  23   0.174  -0.632   9.940
  155    H    ASN  24           H        ASN  24  -0.632  -0.777   7.124
  156    HA   ASN  24           HA       ASN  24   0.936  -2.975   6.106
  157    HB2  ASN  24           1HB      ASN  24  -1.641  -2.704   6.516
  158    HB3  ASN  24           2HB      ASN  24  -1.623  -1.869   4.962
  159   HD21  ASN  24          1HD2      ASN  24  -3.188  -3.534   4.395
  160   HD22  ASN  24          2HD2      ASN  24  -2.601  -5.125   3.911
  161    H    LEU  25           H        LEU  25  -0.150   0.152   4.695
  162    HA   LEU  25           HA       LEU  25   1.153  -0.150   2.153
  163    HB2  LEU  25           1HB      LEU  25  -0.659   1.452   2.484
  164    HB3  LEU  25           2HB      LEU  25   0.263   2.305   3.720
  165    HG   LEU  25           HG       LEU  25   1.963   2.960   2.035
  166   HD11  LEU  25          1HD1      LEU  25   0.061   1.673   0.033
  167   HD12  LEU  25          2HD1      LEU  25   1.695   1.092   0.428
  168   HD13  LEU  25          3HD1      LEU  25   1.496   2.654  -0.358
  169   HD21  LEU  25          3HD2      LEU  25  -0.854   3.682   1.199
  170   HD22  LEU  25          1HD2      LEU  25   0.623   4.599   0.857
  171   HD23  LEU  25          2HD2      LEU  25   0.056   4.440   2.528
  172    H    ASN  26           H        ASN  26   2.239   1.262   5.285
  173    HA   ASN  26           HA       ASN  26   4.784   2.179   4.475
  174    HB2  ASN  26           1HB      ASN  26   3.645   2.610   6.636
  175    HB3  ASN  26           2HB      ASN  26   3.959   0.952   7.134
  176   HD21  ASN  26          1HD2      ASN  26   4.837   3.671   8.196
  177   HD22  ASN  26          2HD2      ASN  26   6.570   3.454   8.382
  178    H    VAL  27           H        VAL  27   3.949  -1.144   5.677
  179    HA   VAL  27           HA       VAL  27   6.526  -2.280   5.156
  180    HB   VAL  27           HB       VAL  27   3.774  -3.542   5.288
  181   HG11  VAL  27          1HG1      VAL  27   5.180  -5.097   4.025
  182   HG12  VAL  27          2HG1      VAL  27   6.496  -4.915   5.209
  183   HG13  VAL  27          3HG1      VAL  27   4.968  -5.702   5.666
  184   HG21  VAL  27          3HG2      VAL  27   4.529  -4.265   7.518
  185   HG22  VAL  27          1HG2      VAL  27   6.105  -3.482   7.257
  186   HG23  VAL  27          2HG2      VAL  27   4.631  -2.506   7.394
  187    H    HIS  28           H        HIS  28   3.668  -1.964   2.992
  188    HA   HIS  28           HA       HIS  28   4.805  -3.395   0.818
  189    HB2  HIS  28           1HB      HIS  28   2.430  -2.841   0.978
  190    HB3  HIS  28           2HB      HIS  28   2.777  -1.125   0.868
  191    HD1  HIS  28           1HD      HIS  28   2.605  -4.221  -1.377
  192    HD2  HIS  28           2HD      HIS  28   3.283  -0.076  -1.519
  193    HE1  HIS  28           1HE      HIS  28   2.595  -3.602  -3.840
  194    H    LEU  29           H        LEU  29   5.077   0.066   1.681
  195    HA   LEU  29           HA       LEU  29   6.609   0.861  -0.636
  196    HB2  LEU  29           1HB      LEU  29   6.357   2.037   2.135
  197    HB3  LEU  29           2HB      LEU  29   7.232   2.831   0.828
  198    HG   LEU  29           HG       LEU  29   4.358   2.024   0.453
  199   HD11  LEU  29          1HD1      LEU  29   5.585   4.523   1.707
  200   HD12  LEU  29          2HD1      LEU  29   4.547   3.345   2.522
  201   HD13  LEU  29          3HD1      LEU  29   3.856   4.388   1.253
  202   HD21  LEU  29          3HD2      LEU  29   6.075   4.207  -0.797
  203   HD22  LEU  29          1HD2      LEU  29   4.343   3.951  -1.087
  204   HD23  LEU  29          2HD2      LEU  29   5.498   2.722  -1.592
  205    H    ARG  30           H        ARG  30   7.612  -0.507   2.491
  206    HA   ARG  30           HA       ARG  30  10.316   0.242   2.343
  207    HB2  ARG  30           1HB      ARG  30   9.068  -2.311   3.454
  208    HB3  ARG  30           2HB      ARG  30  10.779  -1.935   3.658
  209    HG2  ARG  30           1HG      ARG  30  10.329   0.024   4.965
  210    HG3  ARG  30           2HG      ARG  30   8.620  -0.016   4.567
  211    HD2  ARG  30           1HD      ARG  30   8.613  -2.374   5.699
  212    HD3  ARG  30           2HD      ARG  30  10.168  -1.868   6.386
  213    HE   ARG  30           HE       ARG  30   8.042   0.114   6.733
  214   HH11  ARG  30          2HH1      ARG  30   9.273  -2.828   8.215
  215   HH12  ARG  30          1HH1      ARG  30   8.537  -2.445   9.747
  216   HH21  ARG  30          2HH2      ARG  30   7.188   0.528   8.628
  217   HH22  ARG  30          1HH2      ARG  30   7.372  -0.559   9.993
  218    H    LYS  31           H        LYS  31   8.609  -2.085   0.453
  219    HA   LYS  31           HA       LYS  31  10.915  -3.440  -0.755
  220    HB2  LYS  31           1HB      LYS  31   7.997  -3.355  -1.629
  221    HB3  LYS  31           2HB      LYS  31   9.234  -4.465  -2.213
  222    HG2  LYS  31           1HG      LYS  31   9.451  -5.472   0.019
  223    HG3  LYS  31           2HG      LYS  31   8.256  -4.342   0.682
  224    HD2  LYS  31           1HD      LYS  31   6.542  -5.210  -0.872
  225    HD3  LYS  31           2HD      LYS  31   7.693  -6.397  -1.501
  226    HE2  LYS  31           1HE      LYS  31   6.800  -6.183   1.416
  227    HE3  LYS  31           2HE      LYS  31   6.072  -7.269   0.229
  228    HZ1  LYS  31           3HZ      LYS  31   8.239  -8.360  -0.021
  229    HZ2  LYS  31           1HZ      LYS  31   7.736  -8.434   1.528
  230    HZ3  LYS  31           2HZ      LYS  31   8.907  -7.382   1.109
  231    H    HIS  32           H        HIS  32   8.961  -0.556  -1.482
  232    HA   HIS  32           HA       HIS  32  10.172  -0.196  -4.137
  233    HB2  HIS  32           1HB      HIS  32   8.383   1.529  -2.391
  234    HB3  HIS  32           2HB      HIS  32   8.960   2.005  -3.992
  235    HD1  HIS  32           1HD      HIS  32   8.412  -0.322  -5.831
  236    HD2  HIS  32           2HD      HIS  32   5.903   0.780  -2.645
  237    HE1  HIS  32           1HE      HIS  32   6.158  -1.346  -6.351
  238    H    THR  33           H        THR  33  10.748   1.093  -0.827
  239    HA   THR  33           HA       THR  33  12.782   2.971  -1.766
  240    HB   THR  33           HB       THR  33  13.272   3.313   0.625
  241    HG1  THR  33           1HG      THR  33  11.997   2.296   2.142
  242   HG21  THR  33          3HG2      THR  33  11.465   4.608  -0.493
  243   HG22  THR  33          1HG2      THR  33  11.140   4.342   1.228
  244   HG23  THR  33          2HG2      THR  33  10.284   3.377   0.007
  245    H    GLY  34           H        GLY  34  12.925  -0.174  -0.032
  246    HA2  GLY  34           1HA      GLY  34  14.546  -1.803   0.031
  247    HA3  GLY  34           2HA      GLY  34  15.097  -1.179  -1.519
  248    H    GLU  35           H        GLU  35  17.248  -1.556  -1.102
  249    HA   GLU  35           HA       GLU  35  18.631   0.543   0.426
  250    HB2  GLU  35           1HB      GLU  35  18.453  -1.390   1.995
  251    HB3  GLU  35           2HB      GLU  35  19.289  -2.409   0.818
  252    HG2  GLU  35           1HG      GLU  35  21.300  -0.985   0.989
  253    HG3  GLU  35           2HG      GLU  35  20.446   0.126   2.062
  254    H    LYS  36           H        LYS  36  20.498   1.208  -0.571
  255    HA   LYS  36           HA       LYS  36  21.715  -0.313  -2.789
  256    HB2  LYS  36           1HB      LYS  36  19.829   1.021  -3.770
  257    HB3  LYS  36           2HB      LYS  36  20.602   2.500  -3.182
  258    HG2  LYS  36           1HG      LYS  36  22.587   2.022  -4.589
  259    HG3  LYS  36           2HG      LYS  36  21.850   0.499  -5.127
  260    HD2  LYS  36           1HD      LYS  36  19.947   1.787  -6.097
  261    HD3  LYS  36           2HD      LYS  36  20.726   3.301  -5.627
  262    HE2  LYS  36           1HE      LYS  36  21.923   1.209  -7.510
  263    HE3  LYS  36           2HE      LYS  36  21.036   2.640  -8.039
  264    HZ1  LYS  36           3HZ      LYS  36  23.411   3.048  -8.094
  265    HZ2  LYS  36           1HZ      LYS  36  23.583   2.695  -6.513
  266    HZ3  LYS  36           2HZ      LYS  36  22.739   4.021  -6.971
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  -9.575  18.201  -1.426
    2    H2   GLY   1           2H       GLY   1  -8.665  17.680  -2.682
    3    H3   GLY   1           3H       GLY   1  -7.949  18.406  -1.399
    4    HA2  GLY   1           1HA      GLY   1  -7.583  16.032  -1.305
    5    HA3  GLY   1           2HA      GLY   1  -8.560  16.601   0.062
    6    H    SER   2           H        SER   2  -8.668  13.970  -0.528
    7    HA   SER   2           HA       SER   2 -10.814  13.257  -2.358
    8    HB2  SER   2           1HB      SER   2  -9.000  11.706  -1.863
    9    HB3  SER   2           2HB      SER   2  -9.467  11.665  -0.150
   10    HG   SER   2           HG       SER   2 -10.296   9.905  -1.485
   11    H    SER   3           H        SER   3 -12.884  12.610  -1.933
   12    HA   SER   3           HA       SER   3 -14.211  13.494   0.546
   13    HB2  SER   3           1HB      SER   3 -15.341  12.137  -1.928
   14    HB3  SER   3           2HB      SER   3 -16.277  12.852  -0.601
   15    HG   SER   3           HG       SER   3 -16.064  14.286  -2.385
   16    H    GLY   4           H        GLY   4 -12.477  10.748  -0.182
   17    HA2  GLY   4           1HA      GLY   4 -12.265   8.758   0.993
   18    HA3  GLY   4           2HA      GLY   4 -13.712   9.132   1.931
   19    H    SER   5           H        SER   5 -14.379   9.427  -1.390
   20    HA   SER   5           HA       SER   5 -16.053   7.053  -1.460
   21    HB2  SER   5           1HB      SER   5 -16.639   7.937  -3.728
   22    HB3  SER   5           2HB      SER   5 -16.878   9.089  -2.404
   23    HG   SER   5           HG       SER   5 -15.800  10.007  -4.248
   24    H    SER   6           H        SER   6 -12.769   7.476  -2.155
   25    HA   SER   6           HA       SER   6 -12.550   5.619  -4.388
   26    HB2  SER   6           1HB      SER   6 -10.139   6.053  -4.158
   27    HB3  SER   6           2HB      SER   6 -11.092   7.541  -4.240
   28    HG   SER   6           HG       SER   6  -9.535   7.647  -2.570
   29    H    GLY   7           H        GLY   7 -13.434   4.783  -1.432
   30    HA2  GLY   7           1HA      GLY   7 -13.473   2.710  -0.383
   31    HA3  GLY   7           2HA      GLY   7 -12.405   2.074  -1.631
   32    H    LYS   8           H        LYS   8 -10.692   1.196  -0.643
   33    HA   LYS   8           HA       LYS   8  -9.593   1.782   1.906
   34    HB2  LYS   8           1HB      LYS   8  -8.508   0.428  -0.580
   35    HB3  LYS   8           2HB      LYS   8  -7.532   0.591   0.875
   36    HG2  LYS   8           1HG      LYS   8  -9.072  -0.677   2.207
   37    HG3  LYS   8           2HG      LYS   8 -10.309  -0.640   0.947
   38    HD2  LYS   8           1HD      LYS   8  -8.874  -2.012  -0.534
   39    HD3  LYS   8           2HD      LYS   8  -7.613  -2.049   0.712
   40    HE2  LYS   8           1HE      LYS   8  -9.179  -3.179   2.272
   41    HE3  LYS   8           2HE      LYS   8 -10.451  -3.120   1.045
   42    HZ1  LYS   8           3HZ      LYS   8  -9.075  -4.543  -0.370
   43    HZ2  LYS   8           1HZ      LYS   8  -9.331  -5.277   1.062
   44    HZ3  LYS   8           2HZ      LYS   8  -7.883  -4.592   0.748
   45    HA   PRO   9           HA       PRO   9  -7.958   5.729   0.630
   46    HB2  PRO   9           1HB      PRO   9  -7.088   6.730   3.017
   47    HB3  PRO   9           2HB      PRO   9  -8.814   6.501   2.626
   48    HG2  PRO   9           1HG      PRO   9  -6.993   4.673   4.192
   49    HG3  PRO   9           2HG      PRO   9  -8.625   5.214   4.648
   50    HD2  PRO   9           1HD      PRO   9  -8.150   2.787   3.450
   51    HD3  PRO   9           2HD      PRO   9  -9.628   3.723   3.145
   52    H    TYR  10           H        TYR  10  -5.828   3.532   2.500
   53    HA   TYR  10           HA       TYR  10  -3.483   5.119   1.829
   54    HB2  TYR  10           1HB      TYR  10  -3.677   2.434   3.225
   55    HB3  TYR  10           2HB      TYR  10  -2.263   3.476   3.133
   56    HD1  TYR  10           2HD      TYR  10  -2.354   5.793   4.218
   57    HD2  TYR  10           1HD      TYR  10  -5.385   2.791   4.863
   58    HE1  TYR  10           2HE      TYR  10  -3.157   7.022   6.235
   59    HE2  TYR  10           1HE      TYR  10  -6.145   3.982   6.892
   60    HH   TYR  10           HH       TYR  10  -5.858   5.814   8.257
   61    H    LYS  11           H        LYS  11  -3.209   5.103  -0.330
   62    HA   LYS  11           HA       LYS  11  -2.972   2.521  -1.809
   63    HB2  LYS  11           1HB      LYS  11  -3.342   5.297  -2.969
   64    HB3  LYS  11           2HB      LYS  11  -3.392   3.751  -3.823
   65    HG2  LYS  11           1HG      LYS  11  -5.408   3.181  -2.276
   66    HG3  LYS  11           2HG      LYS  11  -5.422   4.905  -1.881
   67    HD2  LYS  11           1HD      LYS  11  -5.499   5.374  -4.377
   68    HD3  LYS  11           2HD      LYS  11  -5.745   3.651  -4.647
   69    HE2  LYS  11           1HE      LYS  11  -7.568   5.497  -3.027
   70    HE3  LYS  11           2HE      LYS  11  -7.841   4.997  -4.698
   71    HZ1  LYS  11           3HZ      LYS  11  -9.123   3.604  -3.257
   72    HZ2  LYS  11           1HZ      LYS  11  -7.851   3.240  -2.313
   73    HZ3  LYS  11           2HZ      LYS  11  -7.926   2.665  -3.865
   74    H    CYS  12           H        CYS  12  -1.295   2.058  -3.153
   75    HA   CYS  12           HA       CYS  12   1.307   3.116  -2.497
   76    HB2  CYS  12           1HB      CYS  12   0.938   0.781  -2.994
   77    HB3  CYS  12           2HB      CYS  12   0.355   1.184  -4.617
   78    HA   PRO  13           HA       PRO  13   1.346   6.283  -5.744
   79    HB2  PRO  13           1HB      PRO  13   3.947   7.084  -5.584
   80    HB3  PRO  13           2HB      PRO  13   2.746   7.446  -4.308
   81    HG2  PRO  13           1HG      PRO  13   4.776   5.191  -4.371
   82    HG3  PRO  13           2HG      PRO  13   4.434   6.336  -3.034
   83    HD2  PRO  13           1HD      PRO  13   3.334   3.833  -3.168
   84    HD3  PRO  13           2HD      PRO  13   2.439   5.210  -2.465
   85    H    GLN  14           H        GLN  14   2.990   3.246  -5.860
   86    HA   GLN  14           HA       GLN  14   3.787   3.680  -8.723
   87    HB2  GLN  14           1HB      GLN  14   5.012   1.815  -6.661
   88    HB3  GLN  14           2HB      GLN  14   5.445   1.904  -8.375
   89    HG2  GLN  14           1HG      GLN  14   6.066   4.329  -8.034
   90    HG3  GLN  14           2HG      GLN  14   5.774   4.119  -6.308
   91   HE21  GLN  14          1HE2      GLN  14   8.119   4.888  -6.252
   92   HE22  GLN  14          2HE2      GLN  14   9.351   3.644  -6.418
   93    H    CYS  15           H        CYS  15   1.929   1.603  -6.571
   94    HA   CYS  15           HA       CYS  15   1.261  -0.213  -8.865
   95    HB2  CYS  15           1HB      CYS  15   0.820  -0.830  -5.944
   96    HB3  CYS  15           2HB      CYS  15   0.861  -1.946  -7.305
   97    H    SER  16           H        SER  16  -0.907  -1.284  -8.631
   98    HA   SER  16           HA       SER  16  -3.119   0.573  -8.094
   99    HB2  SER  16           1HB      SER  16  -3.170  -2.378  -8.826
  100    HB3  SER  16           2HB      SER  16  -4.549  -1.262  -8.838
  101    HG   SER  16           HG       SER  16  -3.626  -1.530 -10.929
  102    H    TYR  17           H        TYR  17  -1.195  -0.973  -5.993
  103    HA   TYR  17           HA       TYR  17  -2.866  -2.489  -4.257
  104    HB2  TYR  17           1HB      TYR  17  -0.448  -2.707  -4.286
  105    HB3  TYR  17           2HB      TYR  17  -0.243  -1.024  -3.836
  106    HD1  TYR  17           1HD      TYR  17  -0.616  -0.238  -1.513
  107    HD2  TYR  17           2HD      TYR  17  -1.119  -4.389  -2.620
  108    HE1  TYR  17           1HE      TYR  17  -0.603  -0.873   0.873
  109    HE2  TYR  17           2HE      TYR  17  -1.069  -5.020  -0.206
  110    HH   TYR  17           HH       TYR  17  -0.605  -2.584   2.371
  111    H    ALA  18           H        ALA  18  -4.115  -1.974  -2.558
  112    HA   ALA  18           HA       ALA  18  -3.859   0.616  -1.228
  113    HB1  ALA  18           1HB      ALA  18  -6.554  -0.358  -2.263
  114    HB2  ALA  18           2HB      ALA  18  -6.243   1.115  -1.311
  115    HB3  ALA  18           3HB      ALA  18  -5.613   0.977  -2.964
  116    H    SER  19           H        SER  19  -4.521   0.618   0.926
  117    HA   SER  19           HA       SER  19  -5.750  -1.833   2.070
  118    HB2  SER  19           1HB      SER  19  -3.244  -1.979   2.356
  119    HB3  SER  19           2HB      SER  19  -3.334  -0.516   3.353
  120    HG   SER  19           HG       SER  19  -4.756  -2.969   3.794
  121    H    ALA  20           H        ALA  20  -6.648  -1.540   4.191
  122    HA   ALA  20           HA       ALA  20  -7.767   1.136   4.733
  123    HB1  ALA  20           1HB      ALA  20  -9.224  -0.857   4.768
  124    HB2  ALA  20           2HB      ALA  20  -8.224  -1.567   6.058
  125    HB3  ALA  20           3HB      ALA  20  -9.145  -0.078   6.358
  126    H    ILE  21           H        ILE  21  -4.895  -0.436   5.517
  127    HA   ILE  21           HA       ILE  21  -4.627   0.960   8.154
  128    HB   ILE  21           HB       ILE  21  -3.421  -1.690   7.293
  129   HG12  ILE  21          1HG1      ILE  21  -5.669  -1.122   9.280
  130   HG13  ILE  21          2HG1      ILE  21  -5.855  -1.891   7.702
  131   HG21  ILE  21          1HG2      ILE  21  -3.346  -0.271  10.002
  132   HG22  ILE  21          2HG2      ILE  21  -2.605  -1.839   9.618
  133   HG23  ILE  21          3HG2      ILE  21  -1.981  -0.388   8.872
  134   HD11  ILE  21          3HD1      ILE  21  -4.429  -3.067  10.104
  135   HD12  ILE  21          1HD1      ILE  21  -5.913  -3.622   9.320
  136   HD13  ILE  21          2HD1      ILE  21  -4.365  -3.761   8.462
  137    H    LYS  22           H        LYS  22  -3.128   2.469   8.234
  138    HA   LYS  22           HA       LYS  22  -1.457   3.235   6.073
  139    HB2  LYS  22           1HB      LYS  22  -2.359   4.646   7.973
  140    HB3  LYS  22           2HB      LYS  22  -1.130   3.947   9.025
  141    HG2  LYS  22           1HG      LYS  22   0.653   4.885   7.592
  142    HG3  LYS  22           2HG      LYS  22  -0.563   5.502   6.456
  143    HD2  LYS  22           1HD      LYS  22  -1.503   6.939   8.261
  144    HD3  LYS  22           2HD      LYS  22  -0.267   6.327   9.382
  145    HE2  LYS  22           1HE      LYS  22   1.516   7.217   7.897
  146    HE3  LYS  22           2HE      LYS  22   0.288   7.818   6.775
  147    HZ1  LYS  22           3HZ      LYS  22  -0.528   9.274   8.556
  148    HZ2  LYS  22           1HZ      LYS  22   1.051   9.570   8.275
  149    HZ3  LYS  22           2HZ      LYS  22   0.607   8.717   9.592
  150    H    ALA  23           H        ALA  23  -0.636   1.365   8.985
  151    HA   ALA  23           HA       ALA  23   2.159   1.126   8.548
  152    HB1  ALA  23           1HB      ALA  23   0.997   0.609  10.666
  153    HB2  ALA  23           2HB      ALA  23   0.224  -0.801   9.898
  154    HB3  ALA  23           3HB      ALA  23   1.985  -0.758  10.115
  155    H    ASN  24           H        ASN  24  -0.552  -0.758   7.181
  156    HA   ASN  24           HA       ASN  24   1.082  -2.866   6.092
  157    HB2  ASN  24           1HB      ASN  24  -1.456  -2.827   6.636
  158    HB3  ASN  24           2HB      ASN  24  -1.659  -1.979   5.109
  159   HD21  ASN  24          1HD2      ASN  24  -3.005  -3.794   4.558
  160   HD22  ASN  24          2HD2      ASN  24  -2.271  -5.303   4.009
  161    H    LEU  25           H        LEU  25  -0.160   0.236   4.743
  162    HA   LEU  25           HA       LEU  25   1.081  -0.069   2.162
  163    HB2  LEU  25           1HB      LEU  25  -0.696   1.565   2.535
  164    HB3  LEU  25           2HB      LEU  25   0.281   2.409   3.741
  165    HG   LEU  25           HG       LEU  25   1.951   3.005   2.000
  166   HD11  LEU  25          1HD1      LEU  25  -0.003   1.659   0.086
  167   HD12  LEU  25          2HD1      LEU  25   1.665   1.139   0.424
  168   HD13  LEU  25          3HD1      LEU  25   1.386   2.670  -0.391
  169   HD21  LEU  25          3HD2      LEU  25  -0.848   3.777   1.175
  170   HD22  LEU  25          1HD2      LEU  25   0.649   4.650   0.820
  171   HD23  LEU  25          2HD2      LEU  25   0.078   4.531   2.495
  172    H    ASN  26           H        ASN  26   2.284   1.242   5.301
  173    HA   ASN  26           HA       ASN  26   4.794   2.157   4.243
  174    HB2  ASN  26           1HB      ASN  26   3.812   1.467   7.015
  175    HB3  ASN  26           2HB      ASN  26   5.530   1.709   6.729
  176   HD21  ASN  26          1HD2      ASN  26   2.349   3.355   6.282
  177   HD22  ASN  26          2HD2      ASN  26   3.068   4.962   6.361
  178    H    VAL  27           H        VAL  27   3.941  -1.102   5.576
  179    HA   VAL  27           HA       VAL  27   6.539  -2.233   5.023
  180    HB   VAL  27           HB       VAL  27   3.778  -3.515   5.224
  181   HG11  VAL  27          1HG1      VAL  27   5.192  -5.082   3.987
  182   HG12  VAL  27          2HG1      VAL  27   6.517  -4.857   5.155
  183   HG13  VAL  27          3HG1      VAL  27   5.003  -5.654   5.643
  184   HG21  VAL  27          3HG2      VAL  27   4.553  -4.193   7.461
  185   HG22  VAL  27          1HG2      VAL  27   6.120  -3.400   7.179
  186   HG23  VAL  27          2HG2      VAL  27   4.635  -2.435   7.308
  187    H    HIS  28           H        HIS  28   3.622  -1.902   2.936
  188    HA   HIS  28           HA       HIS  28   4.739  -3.336   0.741
  189    HB2  HIS  28           1HB      HIS  28   2.357  -2.814   0.930
  190    HB3  HIS  28           2HB      HIS  28   2.685  -1.090   0.806
  191    HD1  HIS  28           1HD      HIS  28   2.443  -4.192  -1.406
  192    HD2  HIS  28           2HD      HIS  28   3.311  -0.088  -1.598
  193    HE1  HIS  28           1HE      HIS  28   2.510  -3.617  -3.880
  194    H    LEU  29           H        LEU  29   4.957   0.133   1.612
  195    HA   LEU  29           HA       LEU  29   6.569   0.926  -0.656
  196    HB2  LEU  29           1HB      LEU  29   6.225   2.116   2.100
  197    HB3  LEU  29           2HB      LEU  29   7.158   2.882   0.813
  198    HG   LEU  29           HG       LEU  29   4.267   2.147   0.388
  199   HD11  LEU  29          1HD1      LEU  29   3.840   4.551   1.090
  200   HD12  LEU  29          2HD1      LEU  29   5.569   4.653   1.553
  201   HD13  LEU  29          3HD1      LEU  29   4.488   3.545   2.409
  202   HD21  LEU  29          3HD2      LEU  29   6.126   4.179  -0.922
  203   HD22  LEU  29          1HD2      LEU  29   4.379   4.072  -1.199
  204   HD23  LEU  29          2HD2      LEU  29   5.416   2.731  -1.675
  205    H    ARG  30           H        ARG  30   7.423  -0.396   2.547
  206    HA   ARG  30           HA       ARG  30  10.149   0.246   2.445
  207    HB2  ARG  30           1HB      ARG  30   8.623  -2.022   3.780
  208    HB3  ARG  30           2HB      ARG  30  10.380  -1.968   3.877
  209    HG2  ARG  30           1HG      ARG  30  10.371   0.169   4.959
  210    HG3  ARG  30           2HG      ARG  30   8.662   0.402   4.696
  211    HD2  ARG  30           1HD      ARG  30   9.051  -0.191   7.004
  212    HD3  ARG  30           2HD      ARG  30   8.157  -1.494   6.210
  213    HE   ARG  30           HE       ARG  30  10.986  -2.016   6.094
  214   HH11  ARG  30          2HH1      ARG  30   8.405  -2.050   8.465
  215   HH12  ARG  30          1HH1      ARG  30   9.180  -3.283   9.422
  216   HH21  ARG  30          2HH2      ARG  30  11.918  -3.584   7.364
  217   HH22  ARG  30          1HH2      ARG  30  11.121  -4.114   8.815
  218    H    LYS  31           H        LYS  31   8.433  -2.018   0.519
  219    HA   LYS  31           HA       LYS  31  10.784  -3.436  -0.553
  220    HB2  LYS  31           1HB      LYS  31   7.914  -3.342  -1.567
  221    HB3  LYS  31           2HB      LYS  31   9.182  -4.436  -2.111
  222    HG2  LYS  31           1HG      LYS  31   9.307  -5.467   0.122
  223    HG3  LYS  31           2HG      LYS  31   8.061  -4.362   0.730
  224    HD2  LYS  31           1HD      LYS  31   6.453  -5.238  -0.941
  225    HD3  LYS  31           2HD      LYS  31   7.656  -6.407  -1.498
  226    HE2  LYS  31           1HE      LYS  31   6.577  -6.217   1.356
  227    HE3  LYS  31           2HE      LYS  31   5.940  -7.307   0.123
  228    HZ1  LYS  31           3HZ      LYS  31   8.716  -7.386   1.181
  229    HZ2  LYS  31           1HZ      LYS  31   8.133  -8.368   0.008
  230    HZ3  LYS  31           2HZ      LYS  31   7.534  -8.455   1.521
  231    H    HIS  32           H        HIS  32   8.840  -0.564  -1.420
  232    HA   HIS  32           HA       HIS  32  10.147  -0.244  -4.024
  233    HB2  HIS  32           1HB      HIS  32   8.325   1.542  -2.370
  234    HB3  HIS  32           2HB      HIS  32   8.950   1.969  -3.961
  235    HD1  HIS  32           1HD      HIS  32   8.411  -0.312  -5.807
  236    HD2  HIS  32           2HD      HIS  32   5.858   0.762  -2.650
  237    HE1  HIS  32           1HE      HIS  32   6.158  -1.300  -6.390
  238    H    THR  33           H        THR  33  10.740   1.023  -0.725
  239    HA   THR  33           HA       THR  33  12.575   3.081  -1.561
  240    HB   THR  33           HB       THR  33  13.321   3.058   0.834
  241    HG1  THR  33           1HG      THR  33  12.974   0.995   1.485
  242   HG21  THR  33          3HG2      THR  33  11.437   4.467   0.107
  243   HG22  THR  33          1HG2      THR  33  11.195   3.854   1.754
  244   HG23  THR  33          2HG2      THR  33  10.305   3.128   0.400
  245    H    GLY  34           H        GLY  34  13.067  -0.352  -0.976
  246    HA2  GLY  34           1HA      GLY  34  14.838  -1.729  -1.505
  247    HA3  GLY  34           2HA      GLY  34  15.500  -0.400  -2.447
  248    H    GLU  35           H        GLU  35  17.570  -1.208  -1.823
  249    HA   GLU  35           HA       GLU  35  18.468  -0.970   0.966
  250    HB2  GLU  35           1HB      GLU  35  20.584  -1.800   0.174
  251    HB3  GLU  35           2HB      GLU  35  19.267  -2.817  -0.405
  252    HG2  GLU  35           1HG      GLU  35  19.400  -1.685  -2.638
  253    HG3  GLU  35           2HG      GLU  35  20.750  -0.714  -2.049
  254    H    LYS  36           H        LYS  36  20.335   0.280   1.589
  255    HA   LYS  36           HA       LYS  36  21.030   2.689   0.056
  256    HB2  LYS  36           1HB      LYS  36  20.501   4.234   1.853
  257    HB3  LYS  36           2HB      LYS  36  19.047   3.420   1.279
  258    HG2  LYS  36           1HG      LYS  36  19.121   1.897   3.258
  259    HG3  LYS  36           2HG      LYS  36  20.576   2.736   3.833
  260    HD2  LYS  36           1HD      LYS  36  19.299   4.857   3.975
  261    HD3  LYS  36           2HD      LYS  36  17.841   4.015   3.405
  262    HE2  LYS  36           1HE      LYS  36  17.951   2.498   5.368
  263    HE3  LYS  36           2HE      LYS  36  19.409   3.323   5.933
  264    HZ1  LYS  36           3HZ      LYS  36  16.739   4.598   5.640
  265    HZ2  LYS  36           1HZ      LYS  36  18.088   5.360   6.162
  266    HZ3  LYS  36           2HZ      LYS  36  17.428   4.165   7.054
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1 -12.451 -18.057  -0.089
    2    H2   GLY   1           2H       GLY   1 -12.221 -16.649   0.716
    3    H3   GLY   1           3H       GLY   1 -11.031 -17.250  -0.233
    4    HA2  GLY   1           1HA      GLY   1 -12.371 -16.947  -2.213
    5    HA3  GLY   1           2HA      GLY   1 -13.649 -16.283  -1.182
    6    H    SER   2           H        SER   2 -13.417 -14.439  -2.692
    7    HA   SER   2           HA       SER   2 -11.664 -12.362  -1.564
    8    HB2  SER   2           1HB      SER   2 -10.792 -11.652  -3.741
    9    HB3  SER   2           2HB      SER   2 -10.241 -13.278  -3.331
   10    HG   SER   2           HG       SER   2 -11.756 -14.139  -4.757
   11    H    SER   3           H        SER   3 -12.190 -10.181  -2.465
   12    HA   SER   3           HA       SER   3 -14.917  -9.875  -3.587
   13    HB2  SER   3           1HB      SER   3 -15.562  -8.290  -1.845
   14    HB3  SER   3           2HB      SER   3 -15.224  -9.883  -1.154
   15    HG   SER   3           HG       SER   3 -14.264  -8.197   0.068
   16    H    GLY   4           H        GLY   4 -15.406  -7.729  -4.325
   17    HA2  GLY   4           1HA      GLY   4 -13.145  -6.426  -5.650
   18    HA3  GLY   4           2HA      GLY   4 -14.860  -6.084  -5.865
   19    H    SER   5           H        SER   5 -14.090  -5.972  -2.545
   20    HA   SER   5           HA       SER   5 -14.880  -3.298  -2.281
   21    HB2  SER   5           1HB      SER   5 -13.315  -5.010  -0.315
   22    HB3  SER   5           2HB      SER   5 -14.203  -3.521   0.074
   23    HG   SER   5           HG       SER   5 -15.462  -5.397   0.482
   24    H    SER   6           H        SER   6 -13.897  -1.531  -2.884
   25    HA   SER   6           HA       SER   6 -10.918  -1.259  -2.732
   26    HB2  SER   6           1HB      SER   6 -12.846  -0.128  -4.789
   27    HB3  SER   6           2HB      SER   6 -11.093   0.130  -4.750
   28    HG   SER   6           HG       SER   6 -12.451  -2.359  -5.073
   29    H    GLY   7           H        GLY   7 -13.344  -0.215  -0.945
   30    HA2  GLY   7           1HA      GLY   7 -12.997   2.674  -0.872
   31    HA3  GLY   7           2HA      GLY   7 -13.868   1.673   0.291
   32    H    LYS   8           H        LYS   8 -10.488   1.940  -0.799
   33    HA   LYS   8           HA       LYS   8  -9.473   1.785   2.022
   34    HB2  LYS   8           1HB      LYS   8  -8.552   0.562  -0.589
   35    HB3  LYS   8           2HB      LYS   8  -7.503   0.642   0.823
   36    HG2  LYS   8           1HG      LYS   8  -8.836  -0.825   2.093
   37    HG3  LYS   8           2HG      LYS   8 -10.272  -0.555   1.103
   38    HD2  LYS   8           1HD      LYS   8  -9.256  -1.740  -0.790
   39    HD3  LYS   8           2HD      LYS   8  -7.781  -2.035   0.156
   40    HE2  LYS   8           1HE      LYS   8  -8.965  -3.423   1.734
   41    HE3  LYS   8           2HE      LYS   8 -10.538  -2.925   1.094
   42    HZ1  LYS   8           3HZ      LYS   8  -8.558  -4.479  -0.479
   43    HZ2  LYS   8           1HZ      LYS   8 -10.088  -4.083  -0.938
   44    HZ3  LYS   8           2HZ      LYS   8  -9.844  -5.134   0.289
   45    HA   PRO   9           HA       PRO   9  -7.961   5.790   0.667
   46    HB2  PRO   9           1HB      PRO   9  -7.059   6.804   3.032
   47    HB3  PRO   9           2HB      PRO   9  -8.791   6.565   2.673
   48    HG2  PRO   9           1HG      PRO   9  -6.936   4.780   4.241
   49    HG3  PRO   9           2HG      PRO   9  -8.582   5.288   4.687
   50    HD2  PRO   9           1HD      PRO   9  -8.004   2.862   3.494
   51    HD3  PRO   9           2HD      PRO   9  -9.544   3.719   3.248
   52    H    TYR  10           H        TYR  10  -5.805   3.604   2.524
   53    HA   TYR  10           HA       TYR  10  -3.465   5.181   1.828
   54    HB2  TYR  10           1HB      TYR  10  -3.657   2.496   3.229
   55    HB3  TYR  10           2HB      TYR  10  -2.241   3.534   3.143
   56    HD1  TYR  10           2HD      TYR  10  -2.417   5.919   4.155
   57    HD2  TYR  10           1HD      TYR  10  -5.289   2.794   4.922
   58    HE1  TYR  10           2HE      TYR  10  -3.236   7.151   6.163
   59    HE2  TYR  10           1HE      TYR  10  -6.067   3.992   6.942
   60    HH   TYR  10           HH       TYR  10  -5.838   5.862   8.265
   61    H    LYS  11           H        LYS  11  -3.043   5.142  -0.318
   62    HA   LYS  11           HA       LYS  11  -2.890   2.531  -1.768
   63    HB2  LYS  11           1HB      LYS  11  -3.404   5.288  -2.927
   64    HB3  LYS  11           2HB      LYS  11  -3.360   3.750  -3.801
   65    HG2  LYS  11           1HG      LYS  11  -5.255   2.965  -2.269
   66    HG3  LYS  11           2HG      LYS  11  -5.396   4.637  -1.717
   67    HD2  LYS  11           1HD      LYS  11  -5.793   5.367  -4.057
   68    HD3  LYS  11           2HD      LYS  11  -5.691   3.676  -4.597
   69    HE2  LYS  11           1HE      LYS  11  -7.590   3.091  -3.093
   70    HE3  LYS  11           2HE      LYS  11  -7.698   4.771  -2.571
   71    HZ1  LYS  11           3HZ      LYS  11  -8.233   5.388  -4.869
   72    HZ2  LYS  11           1HZ      LYS  11  -9.304   4.284  -4.326
   73    HZ3  LYS  11           2HZ      LYS  11  -8.126   3.833  -5.361
   74    H    CYS  12           H        CYS  12  -1.250   2.056  -3.156
   75    HA   CYS  12           HA       CYS  12   1.353   3.122  -2.536
   76    HB2  CYS  12           1HB      CYS  12   1.002   0.787  -3.028
   77    HB3  CYS  12           2HB      CYS  12   0.400   1.178  -4.647
   78    HA   PRO  13           HA       PRO  13   1.348   6.336  -5.719
   79    HB2  PRO  13           1HB      PRO  13   3.975   7.088  -5.620
   80    HB3  PRO  13           2HB      PRO  13   2.808   7.460  -4.316
   81    HG2  PRO  13           1HG      PRO  13   4.791   5.167  -4.450
   82    HG3  PRO  13           2HG      PRO  13   4.506   6.306  -3.094
   83    HD2  PRO  13           1HD      PRO  13   3.357   3.834  -3.205
   84    HD3  PRO  13           2HD      PRO  13   2.485   5.224  -2.500
   85    H    GLN  14           H        GLN  14   2.921   3.278  -5.956
   86    HA   GLN  14           HA       GLN  14   3.567   3.749  -8.852
   87    HB2  GLN  14           1HB      GLN  14   5.037   2.013  -6.833
   88    HB3  GLN  14           2HB      GLN  14   5.337   2.034  -8.578
   89    HG2  GLN  14           1HG      GLN  14   5.784   4.531  -8.391
   90    HG3  GLN  14           2HG      GLN  14   5.739   4.342  -6.634
   91   HE21  GLN  14          1HE2      GLN  14   7.322   2.585  -5.739
   92   HE22  GLN  14          2HE2      GLN  14   8.876   2.507  -6.558
   93    H    CYS  15           H        CYS  15   1.954   1.580  -6.590
   94    HA   CYS  15           HA       CYS  15   1.264  -0.264  -8.854
   95    HB2  CYS  15           1HB      CYS  15   0.873  -0.849  -5.919
   96    HB3  CYS  15           2HB      CYS  15   0.902  -1.981  -7.269
   97    H    SER  16           H        SER  16  -0.877  -1.411  -8.497
   98    HA   SER  16           HA       SER  16  -3.130   0.428  -8.063
   99    HB2  SER  16           1HB      SER  16  -4.480  -1.565  -8.691
  100    HB3  SER  16           2HB      SER  16  -3.257  -1.137  -9.898
  101    HG   SER  16           HG       SER  16  -3.292  -3.400  -9.450
  102    H    TYR  17           H        TYR  17  -1.148  -1.093  -5.943
  103    HA   TYR  17           HA       TYR  17  -2.780  -2.528  -4.139
  104    HB2  TYR  17           1HB      TYR  17  -0.377  -2.717  -4.130
  105    HB3  TYR  17           2HB      TYR  17  -0.185  -1.008  -3.783
  106    HD1  TYR  17           1HD      TYR  17  -0.653  -0.077  -1.522
  107    HD2  TYR  17           2HD      TYR  17  -0.956  -4.306  -2.355
  108    HE1  TYR  17           1HE      TYR  17  -0.731  -0.554   0.912
  109    HE2  TYR  17           2HE      TYR  17  -0.970  -4.775   0.092
  110    HH   TYR  17           HH       TYR  17  -0.894  -3.883   2.187
  111    H    ALA  18           H        ALA  18  -4.078  -1.999  -2.506
  112    HA   ALA  18           HA       ALA  18  -3.948   0.640  -1.237
  113    HB1  ALA  18           1HB      ALA  18  -5.695   0.823  -3.022
  114    HB2  ALA  18           2HB      ALA  18  -6.582  -0.510  -2.251
  115    HB3  ALA  18           3HB      ALA  18  -6.339   1.024  -1.380
  116    H    SER  19           H        SER  19  -4.575   0.636   0.932
  117    HA   SER  19           HA       SER  19  -5.850  -1.785   2.067
  118    HB2  SER  19           1HB      SER  19  -3.354  -2.033   2.323
  119    HB3  SER  19           2HB      SER  19  -3.367  -0.583   3.341
  120    HG   SER  19           HG       SER  19  -4.855  -2.997   3.776
  121    H    ALA  20           H        ALA  20  -6.690  -1.489   4.216
  122    HA   ALA  20           HA       ALA  20  -7.754   1.202   4.779
  123    HB1  ALA  20           1HB      ALA  20  -9.238  -0.768   4.829
  124    HB2  ALA  20           2HB      ALA  20  -8.235  -1.495   6.107
  125    HB3  ALA  20           3HB      ALA  20  -9.131   0.007   6.419
  126    H    ILE  21           H        ILE  21  -4.891  -0.399   5.523
  127    HA   ILE  21           HA       ILE  21  -4.556   1.031   8.136
  128    HB   ILE  21           HB       ILE  21  -3.393  -1.647   7.299
  129   HG12  ILE  21          1HG1      ILE  21  -5.587  -1.029   9.330
  130   HG13  ILE  21          2HG1      ILE  21  -5.821  -1.816   7.769
  131   HG21  ILE  21          1HG2      ILE  21  -1.904  -0.335   8.820
  132   HG22  ILE  21          2HG2      ILE  21  -3.242  -0.175   9.976
  133   HG23  ILE  21          3HG2      ILE  21  -2.529  -1.760   9.611
  134   HD11  ILE  21          3HD1      ILE  21  -4.344  -2.972  10.148
  135   HD12  ILE  21          1HD1      ILE  21  -5.846  -3.529   9.404
  136   HD13  ILE  21          2HD1      ILE  21  -4.318  -3.685   8.513
  137    H    LYS  22           H        LYS  22  -3.033   2.534   8.143
  138    HA   LYS  22           HA       LYS  22  -1.402   3.193   5.912
  139    HB2  LYS  22           1HB      LYS  22  -2.249   4.692   7.779
  140    HB3  LYS  22           2HB      LYS  22  -0.977   4.042   8.812
  141    HG2  LYS  22           1HG      LYS  22   0.745   4.896   7.250
  142    HG3  LYS  22           2HG      LYS  22  -0.523   5.464   6.145
  143    HD2  LYS  22           1HD      LYS  22  -1.394   6.950   7.965
  144    HD3  LYS  22           2HD      LYS  22  -0.054   6.457   9.001
  145    HE2  LYS  22           1HE      LYS  22   0.235   7.816   6.276
  146    HE3  LYS  22           2HE      LYS  22   0.237   8.670   7.820
  147    HZ1  LYS  22           3HZ      LYS  22   2.219   7.399   8.458
  148    HZ2  LYS  22           1HZ      LYS  22   2.492   8.244   7.092
  149    HZ3  LYS  22           2HZ      LYS  22   2.245   6.635   7.007
  150    H    ALA  23           H        ALA  23  -0.556   1.401   8.865
  151    HA   ALA  23           HA       ALA  23   2.231   1.124   8.351
  152    HB1  ALA  23           1HB      ALA  23   0.330  -0.695   9.878
  153    HB2  ALA  23           2HB      ALA  23   2.101  -0.664  10.024
  154    HB3  ALA  23           3HB      ALA  23   1.151   0.746  10.534
  155    H    ASN  24           H        ASN  24  -0.536  -0.721   7.066
  156    HA   ASN  24           HA       ASN  24   1.052  -2.910   6.035
  157    HB2  ASN  24           1HB      ASN  24  -1.480  -2.803   6.563
  158    HB3  ASN  24           2HB      ASN  24  -1.655  -1.966   5.020
  159   HD21  ASN  24          1HD2      ASN  24  -3.067  -3.791   4.566
  160   HD22  ASN  24          2HD2      ASN  24  -2.374  -5.334   4.058
  161    H    LEU  25           H        LEU  25  -0.123   0.197   4.668
  162    HA   LEU  25           HA       LEU  25   1.151  -0.099   2.110
  163    HB2  LEU  25           1HB      LEU  25  -0.639   1.523   2.467
  164    HB3  LEU  25           2HB      LEU  25   0.315   2.366   3.691
  165    HG   LEU  25           HG       LEU  25   1.999   2.992   1.981
  166   HD11  LEU  25          1HD1      LEU  25   0.065   1.698   0.014
  167   HD12  LEU  25          2HD1      LEU  25   1.710   1.131   0.380
  168   HD13  LEU  25          3HD1      LEU  25   1.486   2.685  -0.413
  169   HD21  LEU  25          3HD2      LEU  25  -0.812   3.741   1.165
  170   HD22  LEU  25          1HD2      LEU  25   0.671   4.636   0.797
  171   HD23  LEU  25          2HD2      LEU  25   0.119   4.503   2.477
  172    H    ASN  26           H        ASN  26   2.308   1.279   5.237
  173    HA   ASN  26           HA       ASN  26   4.837   2.182   4.353
  174    HB2  ASN  26           1HB      ASN  26   3.737   2.603   6.550
  175    HB3  ASN  26           2HB      ASN  26   4.116   0.957   7.040
  176   HD21  ASN  26          1HD2      ASN  26   4.927   3.620   8.160
  177   HD22  ASN  26          2HD2      ASN  26   6.677   3.516   8.231
  178    H    VAL  27           H        VAL  27   3.996  -1.142   5.546
  179    HA   VAL  27           HA       VAL  27   6.575  -2.279   4.949
  180    HB   VAL  27           HB       VAL  27   3.816  -3.547   5.171
  181   HG11  VAL  27          1HG1      VAL  27   5.044  -5.694   5.567
  182   HG12  VAL  27          2HG1      VAL  27   5.212  -5.113   3.912
  183   HG13  VAL  27          3HG1      VAL  27   6.552  -4.894   5.064
  184   HG21  VAL  27          3HG2      VAL  27   4.701  -2.484   7.255
  185   HG22  VAL  27          1HG2      VAL  27   4.616  -4.243   7.397
  186   HG23  VAL  27          2HG2      VAL  27   6.182  -3.449   7.101
  187    H    HIS  28           H        HIS  28   3.647  -1.926   2.879
  188    HA   HIS  28           HA       HIS  28   4.741  -3.372   0.683
  189    HB2  HIS  28           1HB      HIS  28   2.367  -2.822   0.859
  190    HB3  HIS  28           2HB      HIS  28   2.716  -1.101   0.759
  191    HD1  HIS  28           1HD      HIS  28   2.493  -4.181  -1.496
  192    HD2  HIS  28           2HD      HIS  28   3.365  -0.075  -1.629
  193    HE1  HIS  28           1HE      HIS  28   2.621  -3.585  -3.960
  194    H    LEU  29           H        LEU  29   5.004   0.092   1.542
  195    HA   LEU  29           HA       LEU  29   6.607   0.873  -0.745
  196    HB2  LEU  29           1HB      LEU  29   6.284   2.048   2.014
  197    HB3  LEU  29           2HB      LEU  29   7.203   2.840   0.742
  198    HG   LEU  29           HG       LEU  29   4.326   2.073   0.286
  199   HD11  LEU  29          1HD1      LEU  29   5.546   4.542   1.612
  200   HD12  LEU  29          2HD1      LEU  29   4.488   3.357   2.390
  201   HD13  LEU  29          3HD1      LEU  29   3.826   4.425   1.125
  202   HD21  LEU  29          3HD2      LEU  29   5.469   2.798  -1.730
  203   HD22  LEU  29          1HD2      LEU  29   6.115   4.234  -0.900
  204   HD23  LEU  29          2HD2      LEU  29   4.375   4.071  -1.199
  205    H    ARG  30           H        ARG  30   7.452  -0.465   2.462
  206    HA   ARG  30           HA       ARG  30  10.188   0.158   2.337
  207    HB2  ARG  30           1HB      ARG  30   8.655  -2.087   3.699
  208    HB3  ARG  30           2HB      ARG  30  10.413  -2.023   3.806
  209    HG2  ARG  30           1HG      ARG  30  10.407   0.101   4.859
  210    HG3  ARG  30           2HG      ARG  30   8.703   0.375   4.550
  211    HD2  ARG  30           1HD      ARG  30   8.097  -1.444   6.080
  212    HD3  ARG  30           2HD      ARG  30   9.788  -1.841   6.341
  213    HE   ARG  30           HE       ARG  30   8.346   0.633   7.210
  214   HH11  ARG  30          2HH1      ARG  30  11.337  -1.271   7.480
  215   HH12  ARG  30          1HH1      ARG  30  11.851  -0.350   8.869
  216   HH21  ARG  30          2HH2      ARG  30   9.100   1.698   8.980
  217   HH22  ARG  30          1HH2      ARG  30  10.640   1.287   9.679
  218    H    LYS  31           H        LYS  31   8.424  -2.132   0.462
  219    HA   LYS  31           HA       LYS  31  10.756  -3.598  -0.590
  220    HB2  LYS  31           1HB      LYS  31   7.893  -3.471  -1.625
  221    HB3  LYS  31           2HB      LYS  31   9.153  -4.587  -2.146
  222    HG2  LYS  31           1HG      LYS  31   9.260  -5.558   0.138
  223    HG3  LYS  31           2HG      LYS  31   7.965  -4.466   0.664
  224    HD2  LYS  31           1HD      LYS  31   6.430  -5.458  -1.013
  225    HD3  LYS  31           2HD      LYS  31   7.722  -6.567  -1.530
  226    HE2  LYS  31           1HE      LYS  31   7.850  -7.467   0.797
  227    HE3  LYS  31           2HE      LYS  31   6.530  -6.392   1.278
  228    HZ1  LYS  31           3HZ      LYS  31   6.323  -8.545  -0.765
  229    HZ2  LYS  31           1HZ      LYS  31   5.098  -7.555  -0.328
  230    HZ3  LYS  31           2HZ      LYS  31   5.715  -8.619   0.744
  231    H    HIS  32           H        HIS  32   8.958  -0.644  -1.431
  232    HA   HIS  32           HA       HIS  32  10.298  -0.399  -4.045
  233    HB2  HIS  32           1HB      HIS  32   8.484   1.435  -2.435
  234    HB3  HIS  32           2HB      HIS  32   9.132   1.824  -4.025
  235    HD1  HIS  32           1HD      HIS  32   8.559  -0.720  -5.693
  236    HD2  HIS  32           2HD      HIS  32   5.964   0.947  -2.836
  237    HE1  HIS  32           1HE      HIS  32   6.240  -1.505  -6.332
  238    H    THR  33           H        THR  33  10.636   1.110  -0.797
  239    HA   THR  33           HA       THR  33  13.279   2.235  -1.490
  240    HB   THR  33           HB       THR  33  11.570   3.778  -2.470
  241    HG1  THR  33           1HG      THR  33  12.556   5.596  -1.674
  242   HG21  THR  33          3HG2      THR  33  10.257   5.244  -1.054
  243   HG22  THR  33          1HG2      THR  33  10.839   4.438   0.416
  244   HG23  THR  33          2HG2      THR  33   9.793   3.568  -0.728
  245    H    GLY  34           H        GLY  34  14.037   3.710   0.326
  246    HA2  GLY  34           1HA      GLY  34  14.453   4.299   2.491
  247    HA3  GLY  34           2HA      GLY  34  12.913   3.571   2.938
  248    H    GLU  35           H        GLU  35  13.337   0.873   2.461
  249    HA   GLU  35           HA       GLU  35  15.108   0.213   4.715
  250    HB2  GLU  35           1HB      GLU  35  12.766  -0.614   4.491
  251    HB3  GLU  35           2HB      GLU  35  13.286  -1.628   3.138
  252    HG2  GLU  35           1HG      GLU  35  14.769  -2.900   4.577
  253    HG3  GLU  35           2HG      GLU  35  14.557  -1.752   5.903
  254    H    LYS  36           H        LYS  36  16.778  -1.288   4.727
  255    HA   LYS  36           HA       LYS  36  18.018  -2.130   2.158
  256    HB2  LYS  36           1HB      LYS  36  18.944   0.081   2.863
  257    HB3  LYS  36           2HB      LYS  36  19.468  -0.644   4.390
  258    HG2  LYS  36           1HG      LYS  36  20.888  -2.260   3.092
  259    HG3  LYS  36           2HG      LYS  36  20.402  -1.458   1.595
  260    HD2  LYS  36           1HD      LYS  36  21.907  -0.157   3.910
  261    HD3  LYS  36           2HD      LYS  36  22.636  -0.753   2.414
  262    HE2  LYS  36           1HE      LYS  36  21.265   0.862   1.103
  263    HE3  LYS  36           2HE      LYS  36  20.571   1.486   2.605
  264    HZ1  LYS  36           3HZ      LYS  36  22.432   2.852   1.864
  265    HZ2  LYS  36           1HZ      LYS  36  23.456   1.583   1.898
  266    HZ3  LYS  36           2HZ      LYS  36  22.813   2.154   3.288
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -11.792   7.110 -10.579
    2    H2   GLY   1           2H       GLY   1 -11.016   5.670 -10.508
    3    H3   GLY   1           3H       GLY   1 -12.237   5.995  -9.465
    4    HA2  GLY   1           1HA      GLY   1 -12.525   5.701 -12.384
    5    HA3  GLY   1           2HA      GLY   1 -12.985   4.479 -11.184
    6    H    SER   2           H        SER   2 -14.457   6.343 -13.225
    7    HA   SER   2           HA       SER   2 -16.183   8.070 -11.748
    8    HB2  SER   2           1HB      SER   2 -16.652   6.739 -14.442
    9    HB3  SER   2           2HB      SER   2 -17.513   8.152 -13.800
   10    HG   SER   2           HG       SER   2 -15.797   8.746 -15.215
   11    H    SER   3           H        SER   3 -18.404   7.915 -11.292
   12    HA   SER   3           HA       SER   3 -20.231   7.013 -10.321
   13    HB2  SER   3           1HB      SER   3 -20.008   4.998 -12.571
   14    HB3  SER   3           2HB      SER   3 -21.472   5.416 -11.662
   15    HG   SER   3           HG       SER   3 -21.330   6.562 -13.647
   16    H    GLY   4           H        GLY   4 -17.906   6.138  -8.961
   17    HA2  GLY   4           1HA      GLY   4 -19.043   3.932  -7.419
   18    HA3  GLY   4           2HA      GLY   4 -17.562   3.506  -8.277
   19    H    SER   5           H        SER   5 -17.582   3.261  -5.619
   20    HA   SER   5           HA       SER   5 -16.767   5.579  -4.121
   21    HB2  SER   5           1HB      SER   5 -16.467   2.626  -3.457
   22    HB3  SER   5           2HB      SER   5 -16.336   3.980  -2.316
   23    HG   SER   5           HG       SER   5 -18.430   3.022  -2.297
   24    H    SER   6           H        SER   6 -14.754   5.881  -2.974
   25    HA   SER   6           HA       SER   6 -12.403   5.611  -4.653
   26    HB2  SER   6           1HB      SER   6 -11.325   6.922  -2.839
   27    HB3  SER   6           2HB      SER   6 -12.810   7.657  -3.462
   28    HG   SER   6           HG       SER   6 -12.741   7.671  -1.163
   29    H    GLY   7           H        GLY   7 -13.714   3.481  -2.374
   30    HA2  GLY   7           1HA      GLY   7 -12.974   1.416  -1.646
   31    HA3  GLY   7           2HA      GLY   7 -11.515   1.646  -2.603
   32    H    LYS   8           H        LYS   8 -10.288   0.662  -0.978
   33    HA   LYS   8           HA       LYS   8  -9.926   1.559   1.728
   34    HB2  LYS   8           1HB      LYS   8  -8.160   0.098  -0.266
   35    HB3  LYS   8           2HB      LYS   8  -7.617   0.488   1.364
   36    HG2  LYS   8           1HG      LYS   8  -9.456  -0.765   2.361
   37    HG3  LYS   8           2HG      LYS   8 -10.145  -1.087   0.763
   38    HD2  LYS   8           1HD      LYS   8  -8.114  -2.393   0.143
   39    HD3  LYS   8           2HD      LYS   8  -7.407  -2.025   1.717
   40    HE2  LYS   8           1HE      LYS   8  -8.265  -4.243   1.850
   41    HE3  LYS   8           2HE      LYS   8  -9.298  -3.212   2.842
   42    HZ1  LYS   8           3HZ      LYS   8 -10.586  -4.743   1.449
   43    HZ2  LYS   8           1HZ      LYS   8  -9.944  -4.127   0.083
   44    HZ3  LYS   8           2HZ      LYS   8 -10.923  -3.208   1.020
   45    HA   PRO   9           HA       PRO   9  -8.338   5.505   0.832
   46    HB2  PRO   9           1HB      PRO   9  -7.310   6.341   3.222
   47    HB3  PRO   9           2HB      PRO   9  -9.050   6.069   2.927
   48    HG2  PRO   9           1HG      PRO   9  -7.069   4.213   4.231
   49    HG3  PRO   9           2HG      PRO   9  -8.707   4.619   4.791
   50    HD2  PRO   9           1HD      PRO   9  -8.107   2.332   3.363
   51    HD3  PRO   9           2HD      PRO   9  -9.669   3.160   3.256
   52    H    TYR  10           H        TYR  10  -5.854   3.414   2.415
   53    HA   TYR  10           HA       TYR  10  -3.743   5.246   1.595
   54    HB2  TYR  10           1HB      TYR  10  -3.547   2.573   2.987
   55    HB3  TYR  10           2HB      TYR  10  -2.283   3.780   2.831
   56    HD1  TYR  10           2HD      TYR  10  -2.545   6.026   4.009
   57    HD2  TYR  10           1HD      TYR  10  -5.226   2.718   4.706
   58    HE1  TYR  10           2HE      TYR  10  -3.341   7.101   6.109
   59    HE2  TYR  10           1HE      TYR  10  -5.976   3.754   6.814
   60    HH   TYR  10           HH       TYR  10  -4.727   6.934   7.934
   61    H    LYS  11           H        LYS  11  -3.622   5.214  -0.616
   62    HA   LYS  11           HA       LYS  11  -3.170   2.701  -2.127
   63    HB2  LYS  11           1HB      LYS  11  -3.821   5.543  -2.897
   64    HB3  LYS  11           2HB      LYS  11  -2.875   4.576  -4.010
   65    HG2  LYS  11           1HG      LYS  11  -5.050   4.302  -4.749
   66    HG3  LYS  11           2HG      LYS  11  -4.587   2.793  -3.988
   67    HD2  LYS  11           1HD      LYS  11  -6.848   3.234  -3.403
   68    HD3  LYS  11           2HD      LYS  11  -5.904   3.517  -1.932
   69    HE2  LYS  11           1HE      LYS  11  -6.058   5.903  -2.190
   70    HE3  LYS  11           2HE      LYS  11  -6.658   5.765  -3.850
   71    HZ1  LYS  11           3HZ      LYS  11  -8.157   4.711  -1.525
   72    HZ2  LYS  11           1HZ      LYS  11  -8.728   4.880  -3.030
   73    HZ3  LYS  11           2HZ      LYS  11  -8.415   6.219  -2.140
   74    H    CYS  12           H        CYS  12  -1.387   2.156  -3.216
   75    HA   CYS  12           HA       CYS  12   1.205   3.135  -2.414
   76    HB2  CYS  12           1HB      CYS  12   0.854   0.813  -2.968
   77    HB3  CYS  12           2HB      CYS  12   0.316   1.240  -4.597
   78    HA   PRO  13           HA       PRO  13   1.427   6.385  -5.555
   79    HB2  PRO  13           1HB      PRO  13   4.049   7.103  -5.324
   80    HB3  PRO  13           2HB      PRO  13   2.831   7.465  -4.065
   81    HG2  PRO  13           1HG      PRO  13   4.789   5.146  -4.147
   82    HG3  PRO  13           2HG      PRO  13   4.457   6.267  -2.787
   83    HD2  PRO  13           1HD      PRO  13   3.278   3.812  -2.991
   84    HD3  PRO  13           2HD      PRO  13   2.396   5.203  -2.301
   85    H    GLN  14           H        GLN  14   2.963   3.305  -5.764
   86    HA   GLN  14           HA       GLN  14   3.754   3.810  -8.618
   87    HB2  GLN  14           1HB      GLN  14   5.013   1.894  -6.625
   88    HB3  GLN  14           2HB      GLN  14   5.418   2.030  -8.342
   89    HG2  GLN  14           1HG      GLN  14   6.038   4.450  -7.940
   90    HG3  GLN  14           2HG      GLN  14   5.788   4.181  -6.215
   91   HE21  GLN  14          1HE2      GLN  14   8.135   4.961  -6.205
   92   HE22  GLN  14          2HE2      GLN  14   9.365   3.726  -6.437
   93    H    CYS  15           H        CYS  15   1.941   1.671  -6.481
   94    HA   CYS  15           HA       CYS  15   1.261  -0.097  -8.809
   95    HB2  CYS  15           1HB      CYS  15   0.801  -0.749  -5.898
   96    HB3  CYS  15           2HB      CYS  15   0.833  -1.849  -7.274
   97    H    SER  16           H        SER  16  -0.892  -1.178  -8.615
   98    HA   SER  16           HA       SER  16  -3.130   0.638  -8.048
   99    HB2  SER  16           1HB      SER  16  -3.137  -2.298  -8.840
  100    HB3  SER  16           2HB      SER  16  -4.533  -1.204  -8.828
  101    HG   SER  16           HG       SER  16  -3.606  -1.417 -10.924
  102    H    TYR  17           H        TYR  17  -1.180  -1.000  -5.999
  103    HA   TYR  17           HA       TYR  17  -2.861  -2.480  -4.244
  104    HB2  TYR  17           1HB      TYR  17  -0.436  -2.702  -4.274
  105    HB3  TYR  17           2HB      TYR  17  -0.235  -1.026  -3.804
  106    HD1  TYR  17           2HD      TYR  17  -1.115  -4.407  -2.639
  107    HD2  TYR  17           1HD      TYR  17  -0.611  -0.277  -1.462
  108    HE1  TYR  17           2HE      TYR  17  -1.033  -5.083  -0.239
  109    HE2  TYR  17           1HE      TYR  17  -0.586  -0.953   0.918
  110    HH   TYR  17           HH       TYR  17  -0.465  -2.727   2.381
  111    H    ALA  18           H        ALA  18  -4.087  -1.934  -2.530
  112    HA   ALA  18           HA       ALA  18  -3.812   0.698  -1.281
  113    HB1  ALA  18           1HB      ALA  18  -5.621   0.990  -2.958
  114    HB2  ALA  18           2HB      ALA  18  -6.520  -0.345  -2.209
  115    HB3  ALA  18           3HB      ALA  18  -6.211   1.150  -1.291
  116    H    SER  19           H        SER  19  -4.114   0.659   0.907
  117    HA   SER  19           HA       SER  19  -5.094  -1.860   2.182
  118    HB2  SER  19           1HB      SER  19  -3.378  -1.686   3.839
  119    HB3  SER  19           2HB      SER  19  -2.639  -1.647   2.246
  120    HG   SER  19           HG       SER  19  -2.495   0.191   4.218
  121    H    ALA  20           H        ALA  20  -6.038  -1.662   4.274
  122    HA   ALA  20           HA       ALA  20  -7.557   0.841   4.676
  123    HB1  ALA  20           1HB      ALA  20  -8.712  -1.334   4.629
  124    HB2  ALA  20           2HB      ALA  20  -7.749  -1.880   6.024
  125    HB3  ALA  20           3HB      ALA  20  -8.892  -0.531   6.198
  126    H    ILE  21           H        ILE  21  -4.591  -0.201   5.678
  127    HA   ILE  21           HA       ILE  21  -4.589   1.410   8.188
  128    HB   ILE  21           HB       ILE  21  -3.359  -1.345   7.762
  129   HG12  ILE  21          1HG1      ILE  21  -5.515  -0.471   9.735
  130   HG13  ILE  21          2HG1      ILE  21  -5.797  -1.404   8.264
  131   HG21  ILE  21          1HG2      ILE  21  -2.520  -1.150  10.093
  132   HG22  ILE  21          2HG2      ILE  21  -1.828   0.072   9.065
  133   HG23  ILE  21          3HG2      ILE  21  -3.146   0.509  10.179
  134   HD11  ILE  21          3HD1      ILE  21  -5.799  -2.960  10.042
  135   HD12  ILE  21          1HD1      ILE  21  -4.281  -3.203   9.152
  136   HD13  ILE  21          2HD1      ILE  21  -4.284  -2.345  10.713
  137    H    LYS  22           H        LYS  22  -2.977   2.893   8.163
  138    HA   LYS  22           HA       LYS  22  -1.353   3.358   5.896
  139    HB2  LYS  22           1HB      LYS  22  -2.095   4.996   7.697
  140    HB3  LYS  22           2HB      LYS  22  -0.813   4.359   8.727
  141    HG2  LYS  22           1HG      LYS  22   0.883   5.042   7.043
  142    HG3  LYS  22           2HG      LYS  22  -0.409   5.606   5.965
  143    HD2  LYS  22           1HD      LYS  22  -1.096   7.279   7.669
  144    HD3  LYS  22           2HD      LYS  22   0.199   6.710   8.745
  145    HE2  LYS  22           1HE      LYS  22   1.888   7.310   7.018
  146    HE3  LYS  22           2HE      LYS  22   0.598   7.880   5.952
  147    HZ1  LYS  22           3HZ      LYS  22   0.047   9.565   7.632
  148    HZ2  LYS  22           1HZ      LYS  22   1.607   9.717   7.181
  149    HZ3  LYS  22           2HZ      LYS  22   1.240   9.036   8.617
  150    H    ALA  23           H        ALA  23  -0.514   1.645   8.897
  151    HA   ALA  23           HA       ALA  23   2.248   1.259   8.279
  152    HB1  ALA  23           1HB      ALA  23   0.407  -0.370  10.062
  153    HB2  ALA  23           2HB      ALA  23   2.186  -0.381  10.078
  154    HB3  ALA  23           3HB      ALA  23   1.315   1.094  10.531
  155    H    ASN  24           H        ASN  24  -0.615  -0.493   7.104
  156    HA   ASN  24           HA       ASN  24   0.955  -2.766   6.083
  157    HB2  ASN  24           1HB      ASN  24  -1.922  -1.863   5.874
  158    HB3  ASN  24           2HB      ASN  24  -1.276  -2.968   4.674
  159   HD21  ASN  24          1HD2      ASN  24  -1.251  -2.648   8.291
  160   HD22  ASN  24          2HD2      ASN  24  -1.503  -4.368   8.528
  161    H    LEU  25           H        LEU  25  -0.128   0.410   4.804
  162    HA   LEU  25           HA       LEU  25   1.067  -0.007   2.208
  163    HB2  LEU  25           1HB      LEU  25  -0.656   1.691   2.543
  164    HB3  LEU  25           2HB      LEU  25   0.349   2.539   3.720
  165    HG   LEU  25           HG       LEU  25   2.015   3.043   1.960
  166   HD11  LEU  25          1HD1      LEU  25   0.031   1.676   0.095
  167   HD12  LEU  25          2HD1      LEU  25   1.677   1.115   0.462
  168   HD13  LEU  25          3HD1      LEU  25   1.459   2.624  -0.405
  169   HD21  LEU  25          3HD2      LEU  25   0.134   4.607   2.391
  170   HD22  LEU  25          1HD2      LEU  25  -0.777   3.816   1.080
  171   HD23  LEU  25          2HD2      LEU  25   0.734   4.670   0.725
  172    H    ASN  26           H        ASN  26   2.277   1.369   5.303
  173    HA   ASN  26           HA       ASN  26   4.851   2.143   4.459
  174    HB2  ASN  26           1HB      ASN  26   3.732   2.559   6.669
  175    HB3  ASN  26           2HB      ASN  26   4.093   0.894   7.124
  176   HD21  ASN  26          1HD2      ASN  26   5.057   3.824   7.885
  177   HD22  ASN  26          2HD2      ASN  26   6.774   3.526   8.104
  178    H    VAL  27           H        VAL  27   3.862  -1.142   5.646
  179    HA   VAL  27           HA       VAL  27   6.378  -2.405   5.107
  180    HB   VAL  27           HB       VAL  27   3.561  -3.515   5.252
  181   HG11  VAL  27          1HG1      VAL  27   6.192  -5.051   5.109
  182   HG12  VAL  27          2HG1      VAL  27   4.627  -5.750   5.584
  183   HG13  VAL  27          3HG1      VAL  27   4.848  -5.136   3.946
  184   HG21  VAL  27          3HG2      VAL  27   5.922  -3.641   7.187
  185   HG22  VAL  27          1HG2      VAL  27   4.528  -2.560   7.360
  186   HG23  VAL  27          2HG2      VAL  27   4.296  -4.309   7.463
  187    H    HIS  28           H        HIS  28   3.530  -1.919   2.963
  188    HA   HIS  28           HA       HIS  28   4.606  -3.391   0.776
  189    HB2  HIS  28           1HB      HIS  28   2.245  -2.746   0.954
  190    HB3  HIS  28           2HB      HIS  28   2.667  -1.046   0.829
  191    HD1  HIS  28           1HD      HIS  28   2.398  -4.165  -1.387
  192    HD2  HIS  28           2HD      HIS  28   3.272  -0.059  -1.574
  193    HE1  HIS  28           1HE      HIS  28   2.520  -3.597  -3.860
  194    H    LEU  29           H        LEU  29   4.985   0.061   1.664
  195    HA   LEU  29           HA       LEU  29   6.574   0.818  -0.625
  196    HB2  LEU  29           1HB      LEU  29   6.343   1.968   2.159
  197    HB3  LEU  29           2HB      LEU  29   7.264   2.741   0.874
  198    HG   LEU  29           HG       LEU  29   4.356   2.068   0.482
  199   HD11  LEU  29          1HD1      LEU  29   3.977   4.454   1.289
  200   HD12  LEU  29          2HD1      LEU  29   5.714   4.500   1.733
  201   HD13  LEU  29          3HD1      LEU  29   4.622   3.373   2.550
  202   HD21  LEU  29          3HD2      LEU  29   6.197   4.127  -0.798
  203   HD22  LEU  29          1HD2      LEU  29   4.442   4.032  -1.044
  204   HD23  LEU  29          2HD2      LEU  29   5.463   2.704  -1.580
  205    H    ARG  30           H        ARG  30   7.483  -0.636   2.494
  206    HA   ARG  30           HA       ARG  30  10.225  -0.022   2.353
  207    HB2  ARG  30           1HB      ARG  30   8.825  -2.487   3.483
  208    HB3  ARG  30           2HB      ARG  30  10.559  -2.237   3.668
  209    HG2  ARG  30           1HG      ARG  30  10.268  -0.245   4.971
  210    HG3  ARG  30           2HG      ARG  30   8.550  -0.179   4.613
  211    HD2  ARG  30           1HD      ARG  30   8.436  -2.547   5.736
  212    HD3  ARG  30           2HD      ARG  30  10.030  -2.129   6.390
  213    HE   ARG  30           HE       ARG  30   8.021  -0.038   6.787
  214   HH11  ARG  30          2HH1      ARG  30   9.117  -3.047   8.239
  215   HH12  ARG  30          1HH1      ARG  30   8.422  -2.635   9.783
  216   HH21  ARG  30          2HH2      ARG  30   7.215   0.411   8.693
  217   HH22  ARG  30          1HH2      ARG  30   7.362  -0.689  10.051
  218    H    LYS  31           H        LYS  31   8.430  -2.109   0.323
  219    HA   LYS  31           HA       LYS  31  10.731  -3.537  -0.853
  220    HB2  LYS  31           1HB      LYS  31   7.802  -3.450  -1.685
  221    HB3  LYS  31           2HB      LYS  31   9.041  -4.517  -2.346
  222    HG2  LYS  31           1HG      LYS  31   9.347  -5.594  -0.153
  223    HG3  LYS  31           2HG      LYS  31   8.143  -4.518   0.578
  224    HD2  LYS  31           1HD      LYS  31   6.385  -5.414  -0.877
  225    HD3  LYS  31           2HD      LYS  31   7.570  -6.474  -1.682
  226    HE2  LYS  31           1HE      LYS  31   8.056  -7.555   0.518
  227    HE3  LYS  31           2HE      LYS  31   6.839  -6.526   1.284
  228    HZ1  LYS  31           3HZ      LYS  31   5.161  -7.563  -0.160
  229    HZ2  LYS  31           1HZ      LYS  31   5.929  -8.707   0.712
  230    HZ3  LYS  31           2HZ      LYS  31   6.291  -8.510  -0.864
  231    H    HIS  32           H        HIS  32   8.934  -0.554  -1.468
  232    HA   HIS  32           HA       HIS  32  10.184  -0.182  -4.126
  233    HB2  HIS  32           1HB      HIS  32   8.387   1.572  -2.410
  234    HB3  HIS  32           2HB      HIS  32   8.997   2.013  -4.005
  235    HD1  HIS  32           1HD      HIS  32   8.373  -0.215  -5.883
  236    HD2  HIS  32           2HD      HIS  32   5.907   0.800  -2.637
  237    HE1  HIS  32           1HE      HIS  32   6.100  -1.183  -6.422
  238    H    THR  33           H        THR  33  10.641   0.975  -0.780
  239    HA   THR  33           HA       THR  33  12.805   2.826  -1.582
  240    HB   THR  33           HB       THR  33  12.779   3.551   0.732
  241    HG1  THR  33           1HG      THR  33  11.301   2.675   2.173
  242   HG21  THR  33          3HG2      THR  33   9.913   3.320  -0.275
  243   HG22  THR  33          1HG2      THR  33  11.098   4.521  -0.834
  244   HG23  THR  33          2HG2      THR  33  10.565   4.523   0.855
  245    H    GLY  34           H        GLY  34  14.764   2.887  -0.038
  246    HA2  GLY  34           1HA      GLY  34  16.583   1.910   1.004
  247    HA3  GLY  34           2HA      GLY  34  15.639   0.441   1.210
  248    H    GLU  35           H        GLU  35  17.180  -1.026   0.647
  249    HA   GLU  35           HA       GLU  35  19.014  -0.723  -1.541
  250    HB2  GLU  35           1HB      GLU  35  19.783  -2.940  -0.975
  251    HB3  GLU  35           2HB      GLU  35  19.573  -1.961   0.474
  252    HG2  GLU  35           1HG      GLU  35  17.385  -3.108   0.909
  253    HG3  GLU  35           2HG      GLU  35  17.646  -4.112  -0.520
  254    H    LYS  36           H        LYS  36  19.337  -2.133  -3.337
  255    HA   LYS  36           HA       LYS  36  16.953  -3.394  -4.579
  256    HB2  LYS  36           1HB      LYS  36  17.006  -0.994  -5.252
  257    HB3  LYS  36           2HB      LYS  36  18.638  -1.225  -5.894
  258    HG2  LYS  36           1HG      LYS  36  17.760  -2.865  -7.544
  259    HG3  LYS  36           2HG      LYS  36  16.147  -2.725  -6.832
  260    HD2  LYS  36           1HD      LYS  36  16.235  -1.424  -8.864
  261    HD3  LYS  36           2HD      LYS  36  16.067  -0.327  -7.486
  262    HE2  LYS  36           1HE      LYS  36  18.507   0.149  -7.566
  263    HE3  LYS  36           2HE      LYS  36  18.690  -0.987  -8.909
  264    HZ1  LYS  36           3HZ      LYS  36  17.062   1.500  -8.991
  265    HZ2  LYS  36           1HZ      LYS  36  17.235   0.453 -10.234
  266    HZ3  LYS  36           2HZ      LYS  36  18.520   1.302  -9.697
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -16.654  -6.044 -12.816
    2    H2   GLY   1           2H       GLY   1 -16.833  -7.672 -12.893
    3    H3   GLY   1           3H       GLY   1 -15.337  -7.016 -12.755
    4    HA2  GLY   1           1HA      GLY   1 -17.456  -6.879 -10.711
    5    HA3  GLY   1           2HA      GLY   1 -16.042  -7.947 -10.646
    6    H    SER   2           H        SER   2 -16.699  -6.064  -8.635
    7    HA   SER   2           HA       SER   2 -15.273  -3.599  -8.844
    8    HB2  SER   2           1HB      SER   2 -16.032  -5.170  -6.354
    9    HB3  SER   2           2HB      SER   2 -15.577  -3.456  -6.419
   10    HG   SER   2           HG       SER   2 -17.862  -3.757  -6.419
   11    H    SER   3           H        SER   3 -13.319  -2.900  -7.963
   12    HA   SER   3           HA       SER   3 -11.108  -4.768  -8.057
   13    HB2  SER   3           1HB      SER   3 -10.864  -2.485  -8.849
   14    HB3  SER   3           2HB      SER   3 -11.231  -1.846  -7.233
   15    HG   SER   3           HG       SER   3  -8.927  -2.070  -7.848
   16    H    GLY   4           H        GLY   4  -9.818  -5.576  -6.455
   17    HA2  GLY   4           1HA      GLY   4 -10.738  -5.851  -3.731
   18    HA3  GLY   4           2HA      GLY   4  -9.145  -6.284  -4.366
   19    H    SER   5           H        SER   5  -8.970  -3.312  -5.323
   20    HA   SER   5           HA       SER   5  -7.919  -2.145  -2.817
   21    HB2  SER   5           1HB      SER   5  -7.758  -1.256  -5.714
   22    HB3  SER   5           2HB      SER   5  -7.026  -0.394  -4.355
   23    HG   SER   5           HG       SER   5  -5.545  -1.790  -5.339
   24    H    SER   6           H        SER   6 -10.975  -2.193  -4.119
   25    HA   SER   6           HA       SER   6 -11.710   0.601  -3.925
   26    HB2  SER   6           1HB      SER   6 -12.934  -1.122  -5.264
   27    HB3  SER   6           2HB      SER   6 -13.520  -1.830  -3.743
   28    HG   SER   6           HG       SER   6 -14.991  -0.289  -4.661
   29    H    GLY   7           H        GLY   7 -12.924   1.647  -2.319
   30    HA2  GLY   7           1HA      GLY   7 -13.606   2.240  -0.210
   31    HA3  GLY   7           2HA      GLY   7 -13.681   0.524   0.194
   32    H    LYS   8           H        LYS   8 -10.552   1.503  -0.789
   33    HA   LYS   8           HA       LYS   8  -9.554   1.547   2.040
   34    HB2  LYS   8           1HB      LYS   8  -8.489   0.272  -0.493
   35    HB3  LYS   8           2HB      LYS   8  -7.493   0.493   0.934
   36    HG2  LYS   8           1HG      LYS   8  -8.826  -0.947   2.275
   37    HG3  LYS   8           2HG      LYS   8 -10.174  -0.913   1.137
   38    HD2  LYS   8           1HD      LYS   8  -8.808  -2.119  -0.545
   39    HD3  LYS   8           2HD      LYS   8  -7.464  -2.203   0.613
   40    HE2  LYS   8           1HE      LYS   8  -8.914  -3.478   2.186
   41    HE3  LYS   8           2HE      LYS   8 -10.254  -3.361   1.035
   42    HZ1  LYS   8           3HZ      LYS   8  -9.123  -5.483   0.798
   43    HZ2  LYS   8           1HZ      LYS   8  -7.683  -4.760   0.516
   44    HZ3  LYS   8           2HZ      LYS   8  -8.902  -4.607  -0.568
   45    HA   PRO   9           HA       PRO   9  -8.112   5.516   0.551
   46    HB2  PRO   9           1HB      PRO   9  -7.217   6.635   2.877
   47    HB3  PRO   9           2HB      PRO   9  -8.951   6.319   2.571
   48    HG2  PRO   9           1HG      PRO   9  -6.978   4.626   4.111
   49    HG3  PRO   9           2HG      PRO   9  -8.610   5.113   4.623
   50    HD2  PRO   9           1HD      PRO   9  -8.090   2.669   3.479
   51    HD3  PRO   9           2HD      PRO   9  -9.620   3.536   3.215
   52    H    TYR  10           H        TYR  10  -5.829   3.461   2.419
   53    HA   TYR  10           HA       TYR  10  -3.594   5.171   1.706
   54    HB2  TYR  10           1HB      TYR  10  -3.633   2.468   3.062
   55    HB3  TYR  10           2HB      TYR  10  -2.257   3.557   2.929
   56    HD1  TYR  10           2HD      TYR  10  -2.324   5.820   4.086
   57    HD2  TYR  10           1HD      TYR  10  -5.300   2.772   4.759
   58    HE1  TYR  10           2HE      TYR  10  -3.075   6.993   6.154
   59    HE2  TYR  10           1HE      TYR  10  -6.032   3.921   6.814
   60    HH   TYR  10           HH       TYR  10  -5.720   5.725   8.215
   61    H    LYS  11           H        LYS  11  -3.451   5.183  -0.496
   62    HA   LYS  11           HA       LYS  11  -3.099   2.724  -2.105
   63    HB2  LYS  11           1HB      LYS  11  -3.342   5.673  -2.812
   64    HB3  LYS  11           2HB      LYS  11  -2.771   4.487  -3.968
   65    HG2  LYS  11           1HG      LYS  11  -4.987   4.753  -4.487
   66    HG3  LYS  11           2HG      LYS  11  -4.900   3.189  -3.682
   67    HD2  LYS  11           1HD      LYS  11  -5.906   4.116  -1.661
   68    HD3  LYS  11           2HD      LYS  11  -5.744   5.775  -2.300
   69    HE2  LYS  11           1HE      LYS  11  -7.228   5.115  -4.223
   70    HE3  LYS  11           2HE      LYS  11  -7.489   3.548  -3.431
   71    HZ1  LYS  11           3HZ      LYS  11  -8.181   6.152  -2.193
   72    HZ2  LYS  11           1HZ      LYS  11  -8.514   4.639  -1.612
   73    HZ3  LYS  11           2HZ      LYS  11  -9.251   5.183  -2.964
   74    H    CYS  12           H        CYS  12  -1.335   2.148  -3.228
   75    HA   CYS  12           HA       CYS  12   1.301   3.062  -2.431
   76    HB2  CYS  12           1HB      CYS  12   0.877   0.751  -2.973
   77    HB3  CYS  12           2HB      CYS  12   0.398   1.206  -4.616
   78    HA   PRO  13           HA       PRO  13   1.655   6.344  -5.581
   79    HB2  PRO  13           1HB      PRO  13   4.599   5.898  -5.199
   80    HB3  PRO  13           2HB      PRO  13   3.666   7.418  -5.090
   81    HG2  PRO  13           1HG      PRO  13   4.602   6.152  -2.860
   82    HG3  PRO  13           2HG      PRO  13   2.987   6.935  -2.873
   83    HD2  PRO  13           1HD      PRO  13   3.625   3.982  -3.250
   84    HD3  PRO  13           2HD      PRO  13   2.382   4.781  -2.235
   85    H    GLN  14           H        GLN  14   3.181   3.174  -5.695
   86    HA   GLN  14           HA       GLN  14   4.075   3.550  -8.521
   87    HB2  GLN  14           1HB      GLN  14   4.870   1.327  -6.635
   88    HB3  GLN  14           2HB      GLN  14   5.647   1.799  -8.134
   89    HG2  GLN  14           1HG      GLN  14   5.638   3.359  -5.510
   90    HG3  GLN  14           2HG      GLN  14   6.970   2.434  -6.172
   91   HE21  GLN  14          1HE2      GLN  14   7.392   5.068  -5.453
   92   HE22  GLN  14          2HE2      GLN  14   7.601   6.030  -6.912
   93    H    CYS  15           H        CYS  15   2.001   1.549  -6.501
   94    HA   CYS  15           HA       CYS  15   1.325  -0.226  -8.818
   95    HB2  CYS  15           1HB      CYS  15   0.800  -0.800  -5.897
   96    HB3  CYS  15           2HB      CYS  15   0.829  -1.935  -7.244
   97    H    SER  16           H        SER  16  -0.878  -1.292  -8.538
   98    HA   SER  16           HA       SER  16  -3.071   0.630  -8.149
   99    HB2  SER  16           1HB      SER  16  -4.477  -1.314  -8.822
  100    HB3  SER  16           2HB      SER  16  -3.219  -0.909 -10.001
  101    HG   SER  16           HG       SER  16  -3.330  -3.174  -9.586
  102    H    TYR  17           H        TYR  17  -1.200  -1.015  -6.008
  103    HA   TYR  17           HA       TYR  17  -2.946  -2.398  -4.267
  104    HB2  TYR  17           1HB      TYR  17  -0.531  -2.702  -4.264
  105    HB3  TYR  17           2HB      TYR  17  -0.281  -1.030  -3.803
  106    HD1  TYR  17           2HD      TYR  17  -1.287  -4.372  -2.618
  107    HD2  TYR  17           1HD      TYR  17  -0.643  -0.254  -1.479
  108    HE1  TYR  17           2HE      TYR  17  -1.288  -5.027  -0.217
  109    HE2  TYR  17           1HE      TYR  17  -0.670  -0.914   0.913
  110    HH   TYR  17           HH       TYR  17  -1.090  -4.320   1.944
  111    H    ALA  18           H        ALA  18  -4.165  -1.848  -2.560
  112    HA   ALA  18           HA       ALA  18  -3.782   0.717  -1.228
  113    HB1  ALA  18           1HB      ALA  18  -6.125   1.329  -1.211
  114    HB2  ALA  18           2HB      ALA  18  -5.621   1.111  -2.897
  115    HB3  ALA  18           3HB      ALA  18  -6.563  -0.155  -2.081
  116    H    SER  19           H        SER  19  -4.507   0.731   0.962
  117    HA   SER  19           HA       SER  19  -5.687  -1.761   2.064
  118    HB2  SER  19           1HB      SER  19  -3.133  -1.809   2.281
  119    HB3  SER  19           2HB      SER  19  -3.314  -0.484   3.446
  120    HG   SER  19           HG       SER  19  -4.386  -3.128   3.537
  121    H    ALA  20           H        ALA  20  -6.415  -1.520   4.298
  122    HA   ALA  20           HA       ALA  20  -7.780   1.063   4.758
  123    HB1  ALA  20           1HB      ALA  20  -9.079  -0.230   6.387
  124    HB2  ALA  20           2HB      ALA  20  -9.056  -1.048   4.815
  125    HB3  ALA  20           3HB      ALA  20  -8.025  -1.638   6.141
  126    H    ILE  21           H        ILE  21  -4.814  -0.218   5.634
  127    HA   ILE  21           HA       ILE  21  -4.646   1.370   8.166
  128    HB   ILE  21           HB       ILE  21  -3.557  -1.411   7.608
  129   HG12  ILE  21          1HG1      ILE  21  -5.649  -0.469   9.623
  130   HG13  ILE  21          2HG1      ILE  21  -5.972  -1.397   8.157
  131   HG21  ILE  21          1HG2      ILE  21  -3.190   0.321  10.092
  132   HG22  ILE  21          2HG2      ILE  21  -2.650  -1.365   9.906
  133   HG23  ILE  21          3HG2      ILE  21  -1.930  -0.130   8.915
  134   HD11  ILE  21          3HD1      ILE  21  -4.549  -3.262   9.067
  135   HD12  ILE  21          1HD1      ILE  21  -4.508  -2.385  10.617
  136   HD13  ILE  21          2HD1      ILE  21  -6.052  -2.932   9.953
  137    H    LYS  22           H        LYS  22  -2.955   2.738   8.259
  138    HA   LYS  22           HA       LYS  22  -1.318   3.270   5.989
  139    HB2  LYS  22           1HB      LYS  22  -2.040   4.863   7.826
  140    HB3  LYS  22           2HB      LYS  22  -0.810   4.146   8.865
  141    HG2  LYS  22           1HG      LYS  22   0.955   4.833   7.258
  142    HG3  LYS  22           2HG      LYS  22  -0.284   5.478   6.163
  143    HD2  LYS  22           1HD      LYS  22  -0.971   7.109   7.908
  144    HD3  LYS  22           2HD      LYS  22   0.269   6.459   9.002
  145    HE2  LYS  22           1HE      LYS  22   2.031   7.067   7.354
  146    HE3  LYS  22           2HE      LYS  22   0.796   7.719   6.270
  147    HZ1  LYS  22           3HZ      LYS  22   1.386   8.752   8.996
  148    HZ2  LYS  22           1HZ      LYS  22   0.243   9.355   7.994
  149    HZ3  LYS  22           2HZ      LYS  22   1.821   9.475   7.600
  150    H    ALA  23           H        ALA  23  -0.571   1.429   8.936
  151    HA   ALA  23           HA       ALA  23   2.192   0.993   8.467
  152    HB1  ALA  23           1HB      ALA  23   1.932  -0.837  10.073
  153    HB2  ALA  23           2HB      ALA  23   1.016   0.586  10.608
  154    HB3  ALA  23           3HB      ALA  23   0.171  -0.800   9.871
  155    H    ASN  24           H        ASN  24  -0.642  -0.784   7.168
  156    HA   ASN  24           HA       ASN  24   0.851  -2.954   5.985
  157    HB2  ASN  24           1HB      ASN  24  -1.851  -1.701   5.315
  158    HB3  ASN  24           2HB      ASN  24  -1.217  -3.127   4.526
  159   HD21  ASN  24          1HD2      ASN  24  -3.594  -3.357   5.619
  160   HD22  ASN  24          2HD2      ASN  24  -3.503  -4.373   7.063
  161    H    LEU  25           H        LEU  25  -0.206   0.248   4.711
  162    HA   LEU  25           HA       LEU  25   1.078  -0.060   2.167
  163    HB2  LEU  25           1HB      LEU  25  -0.682   1.595   2.524
  164    HB3  LEU  25           2HB      LEU  25   0.299   2.430   3.736
  165    HG   LEU  25           HG       LEU  25   1.991   2.985   2.003
  166   HD11  LEU  25          1HD1      LEU  25   0.008   1.714   0.064
  167   HD12  LEU  25          2HD1      LEU  25   1.643   1.116   0.426
  168   HD13  LEU  25          3HD1      LEU  25   1.451   2.664  -0.376
  169   HD21  LEU  25          3HD2      LEU  25   0.745   4.673   0.842
  170   HD22  LEU  25          1HD2      LEU  25   0.130   4.544   2.499
  171   HD23  LEU  25          2HD2      LEU  25  -0.781   3.828   1.146
  172    H    ASN  26           H        ASN  26   2.272   1.261   5.310
  173    HA   ASN  26           HA       ASN  26   4.797   2.120   4.362
  174    HB2  ASN  26           1HB      ASN  26   3.868   2.670   6.583
  175    HB3  ASN  26           2HB      ASN  26   4.083   0.996   7.096
  176   HD21  ASN  26          1HD2      ASN  26   6.054   0.458   8.030
  177   HD22  ASN  26          2HD2      ASN  26   7.463   1.504   7.950
  178    H    VAL  27           H        VAL  27   3.922  -1.176   5.597
  179    HA   VAL  27           HA       VAL  27   6.514  -2.327   5.054
  180    HB   VAL  27           HB       VAL  27   3.739  -3.577   5.249
  181   HG11  VAL  27          1HG1      VAL  27   5.129  -5.154   3.990
  182   HG12  VAL  27          2HG1      VAL  27   6.454  -4.965   5.162
  183   HG13  VAL  27          3HG1      VAL  27   4.925  -5.739   5.640
  184   HG21  VAL  27          3HG2      VAL  27   4.603  -2.527   7.335
  185   HG22  VAL  27          1HG2      VAL  27   4.506  -4.283   7.475
  186   HG23  VAL  27          2HG2      VAL  27   6.082  -3.502   7.200
  187    H    HIS  28           H        HIS  28   3.606  -1.948   2.976
  188    HA   HIS  28           HA       HIS  28   4.686  -3.398   0.769
  189    HB2  HIS  28           1HB      HIS  28   2.309  -2.854   1.016
  190    HB3  HIS  28           2HB      HIS  28   2.652  -1.135   0.866
  191    HD1  HIS  28           1HD      HIS  28   2.343  -4.263  -1.306
  192    HD2  HIS  28           2HD      HIS  28   3.237  -0.166  -1.550
  193    HE1  HIS  28           1HE      HIS  28   2.384  -3.714  -3.785
  194    H    LEU  29           H        LEU  29   4.956   0.066   1.646
  195    HA   LEU  29           HA       LEU  29   6.555   0.855  -0.637
  196    HB2  LEU  29           1HB      LEU  29   6.252   2.014   2.139
  197    HB3  LEU  29           2HB      LEU  29   7.183   2.790   0.859
  198    HG   LEU  29           HG       LEU  29   4.289   2.097   0.434
  199   HD11  LEU  29          1HD1      LEU  29   5.610   4.556   1.682
  200   HD12  LEU  29          2HD1      LEU  29   4.518   3.431   2.499
  201   HD13  LEU  29          3HD1      LEU  29   3.881   4.487   1.214
  202   HD21  LEU  29          3HD2      LEU  29   6.165   4.149  -0.813
  203   HD22  LEU  29          1HD2      LEU  29   4.416   4.061  -1.095
  204   HD23  LEU  29          2HD2      LEU  29   5.446   2.726  -1.607
  205    H    ARG  30           H        ARG  30   7.425  -0.541   2.522
  206    HA   ARG  30           HA       ARG  30  10.158   0.104   2.415
  207    HB2  ARG  30           1HB      ARG  30   8.687  -2.237   3.682
  208    HB3  ARG  30           2HB      ARG  30  10.442  -2.140   3.757
  209    HG2  ARG  30           1HG      ARG  30  10.364   0.003   4.899
  210    HG3  ARG  30           2HG      ARG  30   8.625   0.090   4.743
  211    HD2  ARG  30           1HD      ARG  30   9.136  -0.592   6.980
  212    HD3  ARG  30           2HD      ARG  30   8.415  -1.974   6.141
  213    HE   ARG  30           HE       ARG  30  11.283  -2.068   5.922
  214   HH11  ARG  30          2HH1      ARG  30   8.821  -2.609   8.359
  215   HH12  ARG  30          1HH1      ARG  30   9.814  -3.743   9.235
  216   HH21  ARG  30          2HH2      ARG  30  12.489  -3.522   7.088
  217   HH22  ARG  30          1HH2      ARG  30  11.835  -4.234   8.533
  218    H    LYS  31           H        LYS  31   8.435  -1.995   0.367
  219    HA   LYS  31           HA       LYS  31  10.774  -3.408  -0.757
  220    HB2  LYS  31           1HB      LYS  31   7.868  -3.345  -1.672
  221    HB3  LYS  31           2HB      LYS  31   9.130  -4.416  -2.272
  222    HG2  LYS  31           1HG      LYS  31   9.351  -5.475  -0.062
  223    HG3  LYS  31           2HG      LYS  31   8.125  -4.388   0.615
  224    HD2  LYS  31           1HD      LYS  31   6.421  -5.289  -0.910
  225    HD3  LYS  31           2HD      LYS  31   7.632  -6.373  -1.640
  226    HE2  LYS  31           1HE      LYS  31   8.012  -7.410   0.603
  227    HE3  LYS  31           2HE      LYS  31   6.767  -6.360   1.291
  228    HZ1  LYS  31           3HZ      LYS  31   5.872  -8.548   0.724
  229    HZ2  LYS  31           1HZ      LYS  31   6.309  -8.387  -0.839
  230    HZ3  LYS  31           2HZ      LYS  31   5.150  -7.420  -0.207
  231    H    HIS  32           H        HIS  32   8.952  -0.450  -1.399
  232    HA   HIS  32           HA       HIS  32  10.202  -0.091  -4.063
  233    HB2  HIS  32           1HB      HIS  32   8.265   1.618  -2.459
  234    HB3  HIS  32           2HB      HIS  32   8.820   1.966  -4.095
  235    HD1  HIS  32           1HD      HIS  32   8.393  -0.668  -5.626
  236    HD2  HIS  32           2HD      HIS  32   5.810   0.827  -2.664
  237    HE1  HIS  32           1HE      HIS  32   6.140  -1.729  -6.084
  238    H    THR  33           H        THR  33  10.784   0.953  -0.740
  239    HA   THR  33           HA       THR  33  12.432   3.230  -1.447
  240    HB   THR  33           HB       THR  33  13.227   3.061   0.937
  241    HG1  THR  33           1HG      THR  33  12.851   0.824   1.223
  242   HG21  THR  33          3HG2      THR  33  11.313   4.477   0.329
  243   HG22  THR  33          1HG2      THR  33  11.082   3.735   1.922
  244   HG23  THR  33          2HG2      THR  33  10.209   3.097   0.513
  245    H    GLY  34           H        GLY  34  14.628   3.480  -1.502
  246    HA2  GLY  34           1HA      GLY  34  16.870   3.018  -1.448
  247    HA3  GLY  34           2HA      GLY  34  16.513   1.443  -0.753
  248    H    GLU  35           H        GLU  35  14.838   0.711  -3.214
  249    HA   GLU  35           HA       GLU  35  16.808   0.656  -5.410
  250    HB2  GLU  35           1HB      GLU  35  16.789  -1.760  -5.627
  251    HB3  GLU  35           2HB      GLU  35  17.457  -1.277  -4.073
  252    HG2  GLU  35           1HG      GLU  35  15.273  -1.828  -2.977
  253    HG3  GLU  35           2HG      GLU  35  14.640  -2.353  -4.539
  254    H    LYS  36           H        LYS  36  15.984  -0.010  -7.427
  255    HA   LYS  36           HA       LYS  36  13.037  -0.188  -7.788
  256    HB2  LYS  36           1HB      LYS  36  14.884   1.789  -9.195
  257    HB3  LYS  36           2HB      LYS  36  13.219   1.472  -9.657
  258    HG2  LYS  36           1HG      LYS  36  14.078   2.652  -6.978
  259    HG3  LYS  36           2HG      LYS  36  13.524   3.566  -8.377
  260    HD2  LYS  36           1HD      LYS  36  11.307   2.469  -8.270
  261    HD3  LYS  36           2HD      LYS  36  11.850   1.478  -6.912
  262    HE2  LYS  36           1HE      LYS  36  10.549   3.254  -6.006
  263    HE3  LYS  36           2HE      LYS  36  12.232   3.511  -5.550
  264    HZ1  LYS  36           3HZ      LYS  36  12.389   5.182  -7.321
  265    HZ2  LYS  36           1HZ      LYS  36  11.166   5.566  -6.318
  266    HZ3  LYS  36           2HZ      LYS  36  10.843   4.914  -7.779
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1 -18.497   3.782 -11.965
    2    H2   GLY   1           2H       GLY   1 -17.651   4.732 -10.932
    3    H3   GLY   1           3H       GLY   1 -19.177   5.145 -11.360
    4    HA2  GLY   1           1HA      GLY   1 -20.086   3.218 -10.248
    5    HA3  GLY   1           2HA      GLY   1 -18.435   2.753  -9.800
    6    H    SER   2           H        SER   2 -20.793   3.407  -8.104
    7    HA   SER   2           HA       SER   2 -20.150   5.954  -6.766
    8    HB2  SER   2           1HB      SER   2 -22.174   3.785  -6.100
    9    HB3  SER   2           2HB      SER   2 -21.990   5.319  -5.234
   10    HG   SER   2           HG       SER   2 -22.664   4.989  -7.991
   11    H    SER   3           H        SER   3 -19.505   6.195  -4.608
   12    HA   SER   3           HA       SER   3 -17.494   4.400  -3.622
   13    HB2  SER   3           1HB      SER   3 -18.907   6.692  -2.207
   14    HB3  SER   3           2HB      SER   3 -17.385   5.928  -1.709
   15    HG   SER   3           HG       SER   3 -17.044   7.860  -2.916
   16    H    GLY   4           H        GLY   4 -17.410   3.304  -1.570
   17    HA2  GLY   4           1HA      GLY   4 -19.721   2.832   0.081
   18    HA3  GLY   4           2HA      GLY   4 -19.452   1.474  -1.012
   19    H    SER   5           H        SER   5 -19.368   0.893   1.555
   20    HA   SER   5           HA       SER   5 -17.085   1.391   3.077
   21    HB2  SER   5           1HB      SER   5 -18.881  -1.058   3.216
   22    HB3  SER   5           2HB      SER   5 -17.868  -0.409   4.521
   23    HG   SER   5           HG       SER   5 -20.056   0.273   4.704
   24    H    SER   6           H        SER   6 -17.286  -0.880   0.453
   25    HA   SER   6           HA       SER   6 -15.107  -2.613   1.253
   26    HB2  SER   6           1HB      SER   6 -16.232  -2.064  -1.517
   27    HB3  SER   6           2HB      SER   6 -15.218  -3.438  -1.038
   28    HG   SER   6           HG       SER   6 -17.453  -3.978  -1.060
   29    H    GLY   7           H        GLY   7 -15.085   0.635   0.110
   30    HA2  GLY   7           1HA      GLY   7 -12.657   0.632  -1.441
   31    HA3  GLY   7           2HA      GLY   7 -13.433   2.030  -0.703
   32    H    LYS   8           H        LYS   8 -10.645   1.593  -0.902
   33    HA   LYS   8           HA       LYS   8  -9.782   1.416   1.959
   34    HB2  LYS   8           1HB      LYS   8  -8.489   0.276  -0.527
   35    HB3  LYS   8           2HB      LYS   8  -7.565   0.588   0.943
   36    HG2  LYS   8           1HG      LYS   8  -8.953  -0.914   2.248
   37    HG3  LYS   8           2HG      LYS   8 -10.075  -1.134   0.897
   38    HD2  LYS   8           1HD      LYS   8  -8.258  -2.171  -0.448
   39    HD3  LYS   8           2HD      LYS   8  -7.151  -1.981   0.927
   40    HE2  LYS   8           1HE      LYS   8  -8.604  -3.422   2.316
   41    HE3  LYS   8           2HE      LYS   8  -9.745  -3.584   0.974
   42    HZ1  LYS   8           3HZ      LYS   8  -8.004  -4.693  -0.306
   43    HZ2  LYS   8           1HZ      LYS   8  -8.225  -5.485   1.101
   44    HZ3  LYS   8           2HZ      LYS   8  -6.921  -4.522   0.905
   45    HA   PRO   9           HA       PRO   9  -8.553   5.542   0.888
   46    HB2  PRO   9           1HB      PRO   9  -7.605   6.438   3.282
   47    HB3  PRO   9           2HB      PRO   9  -9.320   6.059   2.993
   48    HG2  PRO   9           1HG      PRO   9  -7.223   4.341   4.312
   49    HG3  PRO   9           2HG      PRO   9  -8.885   4.641   4.872
   50    HD2  PRO   9           1HD      PRO   9  -8.143   2.389   3.446
   51    HD3  PRO   9           2HD      PRO   9  -9.764   3.113   3.363
   52    H    TYR  10           H        TYR  10  -6.070   3.502   2.511
   53    HA   TYR  10           HA       TYR  10  -3.944   5.322   1.688
   54    HB2  TYR  10           1HB      TYR  10  -3.743   2.604   3.017
   55    HB3  TYR  10           2HB      TYR  10  -2.469   3.805   2.907
   56    HD1  TYR  10           2HD      TYR  10  -2.789   6.049   4.139
   57    HD2  TYR  10           1HD      TYR  10  -5.341   2.630   4.766
   58    HE1  TYR  10           2HE      TYR  10  -3.583   7.024   6.295
   59    HE2  TYR  10           1HE      TYR  10  -6.101   3.575   6.923
   60    HH   TYR  10           HH       TYR  10  -5.946   5.337   8.398
   61    H    LYS  11           H        LYS  11  -2.826   5.130  -0.248
   62    HA   LYS  11           HA       LYS  11  -2.927   2.549  -1.752
   63    HB2  LYS  11           1HB      LYS  11  -3.541   5.297  -2.898
   64    HB3  LYS  11           2HB      LYS  11  -3.410   3.779  -3.797
   65    HG2  LYS  11           1HG      LYS  11  -5.269   2.859  -2.309
   66    HG3  LYS  11           2HG      LYS  11  -5.499   4.502  -1.700
   67    HD2  LYS  11           1HD      LYS  11  -5.946   5.281  -4.006
   68    HD3  LYS  11           2HD      LYS  11  -5.763   3.616  -4.603
   69    HE2  LYS  11           1HE      LYS  11  -7.621   2.886  -3.119
   70    HE3  LYS  11           2HE      LYS  11  -7.797   4.535  -2.515
   71    HZ1  LYS  11           3HZ      LYS  11  -8.378   5.234  -4.780
   72    HZ2  LYS  11           1HZ      LYS  11  -9.402   4.070  -4.274
   73    HZ3  LYS  11           2HZ      LYS  11  -8.221   3.707  -5.341
   74    H    CYS  12           H        CYS  12  -1.290   2.085  -3.149
   75    HA   CYS  12           HA       CYS  12   1.294   3.128  -2.472
   76    HB2  CYS  12           1HB      CYS  12   0.930   0.810  -3.032
   77    HB3  CYS  12           2HB      CYS  12   0.386   1.263  -4.656
   78    HA   PRO  13           HA       PRO  13   1.364   6.393  -5.628
   79    HB2  PRO  13           1HB      PRO  13   3.961   7.197  -5.423
   80    HB3  PRO  13           2HB      PRO  13   2.746   7.522  -4.151
   81    HG2  PRO  13           1HG      PRO  13   4.778   5.270  -4.248
   82    HG3  PRO  13           2HG      PRO  13   4.426   6.383  -2.889
   83    HD2  PRO  13           1HD      PRO  13   3.324   3.887  -3.081
   84    HD3  PRO  13           2HD      PRO  13   2.415   5.251  -2.371
   85    H    GLN  14           H        GLN  14   3.012   3.363  -5.812
   86    HA   GLN  14           HA       GLN  14   3.810   3.871  -8.663
   87    HB2  GLN  14           1HB      GLN  14   5.049   1.963  -6.649
   88    HB3  GLN  14           2HB      GLN  14   5.478   2.097  -8.360
   89    HG2  GLN  14           1HG      GLN  14   6.087   4.515  -7.962
   90    HG3  GLN  14           2HG      GLN  14   5.800   4.262  -6.240
   91   HE21  GLN  14          1HE2      GLN  14   8.146   5.051  -6.196
   92   HE22  GLN  14          2HE2      GLN  14   9.382   3.814  -6.383
   93    H    CYS  15           H        CYS  15   1.970   1.731  -6.554
   94    HA   CYS  15           HA       CYS  15   1.328  -0.047  -8.886
   95    HB2  CYS  15           1HB      CYS  15   0.867  -0.685  -5.971
   96    HB3  CYS  15           2HB      CYS  15   0.887  -1.793  -7.339
   97    H    SER  16           H        SER  16  -0.836  -1.171  -8.617
   98    HA   SER  16           HA       SER  16  -3.079   0.674  -8.138
   99    HB2  SER  16           1HB      SER  16  -4.439  -1.274  -8.876
  100    HB3  SER  16           2HB      SER  16  -3.198  -0.802 -10.048
  101    HG   SER  16           HG       SER  16  -3.259  -3.082  -9.707
  102    H    TYR  17           H        TYR  17  -1.130  -0.953  -6.083
  103    HA   TYR  17           HA       TYR  17  -2.749  -2.478  -4.344
  104    HB2  TYR  17           1HB      TYR  17  -0.316  -2.582  -4.400
  105    HB3  TYR  17           2HB      TYR  17  -0.194  -0.911  -3.892
  106    HD1  TYR  17           1HD      TYR  17  -0.707  -0.228  -1.518
  107    HD2  TYR  17           2HD      TYR  17  -0.749  -4.355  -2.815
  108    HE1  TYR  17           1HE      TYR  17  -0.623  -0.959   0.841
  109    HE2  TYR  17           2HE      TYR  17  -0.555  -5.082  -0.437
  110    HH   TYR  17           HH       TYR  17  -0.292  -2.768   2.255
  111    H    ALA  18           H        ALA  18  -3.948  -2.042  -2.590
  112    HA   ALA  18           HA       ALA  18  -3.878   0.598  -1.323
  113    HB1  ALA  18           1HB      ALA  18  -6.295   0.866  -1.352
  114    HB2  ALA  18           2HB      ALA  18  -5.709   0.716  -3.018
  115    HB3  ALA  18           3HB      ALA  18  -6.496  -0.671  -2.232
  116    H    SER  19           H        SER  19  -4.472   0.605   0.843
  117    HA   SER  19           HA       SER  19  -5.079  -1.982   2.181
  118    HB2  SER  19           1HB      SER  19  -3.379  -1.535   3.848
  119    HB3  SER  19           2HB      SER  19  -2.638  -1.675   2.281
  120    HG   SER  19           HG       SER  19  -2.485   0.351   3.998
  121    H    ALA  20           H        ALA  20  -5.996  -1.789   4.286
  122    HA   ALA  20           HA       ALA  20  -7.591   0.667   4.723
  123    HB1  ALA  20           1HB      ALA  20  -7.648  -2.054   6.092
  124    HB2  ALA  20           2HB      ALA  20  -8.833  -0.745   6.292
  125    HB3  ALA  20           3HB      ALA  20  -8.675  -1.558   4.725
  126    H    ILE  21           H        ILE  21  -4.539  -0.197   5.590
  127    HA   ILE  21           HA       ILE  21  -4.551   1.390   8.106
  128    HB   ILE  21           HB       ILE  21  -3.034  -1.220   7.736
  129   HG12  ILE  21          1HG1      ILE  21  -5.506  -0.765   9.461
  130   HG13  ILE  21          2HG1      ILE  21  -5.455  -1.711   7.971
  131   HG21  ILE  21          1HG2      ILE  21  -2.445  -0.960  10.113
  132   HG22  ILE  21          2HG2      ILE  21  -1.943   0.457   9.227
  133   HG23  ILE  21          3HG2      ILE  21  -3.417   0.524  10.213
  134   HD11  ILE  21          3HD1      ILE  21  -5.403  -3.262   9.756
  135   HD12  ILE  21          1HD1      ILE  21  -3.787  -3.255   9.022
  136   HD13  ILE  21          2HD1      ILE  21  -4.080  -2.424  10.573
  137    H    LYS  22           H        LYS  22  -2.926   2.867   8.154
  138    HA   LYS  22           HA       LYS  22  -1.300   3.413   5.877
  139    HB2  LYS  22           1HB      LYS  22  -2.142   4.993   7.705
  140    HB3  LYS  22           2HB      LYS  22  -0.830   4.405   8.725
  141    HG2  LYS  22           1HG      LYS  22   0.827   5.197   7.061
  142    HG3  LYS  22           2HG      LYS  22  -0.486   5.700   5.976
  143    HD2  LYS  22           1HD      LYS  22  -1.283   7.309   7.698
  144    HD3  LYS  22           2HD      LYS  22   0.045   6.811   8.771
  145    HE2  LYS  22           1HE      LYS  22   1.694   7.547   7.062
  146    HE3  LYS  22           2HE      LYS  22   0.373   8.033   5.991
  147    HZ1  LYS  22           3HZ      LYS  22  -0.305   9.661   7.676
  148    HZ2  LYS  22           1HZ      LYS  22   1.243   9.926   7.237
  149    HZ3  LYS  22           2HZ      LYS  22   0.915   9.211   8.666
  150    H    ALA  23           H        ALA  23  -0.501   1.706   8.886
  151    HA   ALA  23           HA       ALA  23   2.278   1.315   8.424
  152    HB1  ALA  23           1HB      ALA  23   2.052  -0.472  10.085
  153    HB2  ALA  23           2HB      ALA  23   1.140   0.964  10.585
  154    HB3  ALA  23           3HB      ALA  23   0.286  -0.447   9.910
  155    H    ASN  24           H        ASN  24  -0.550  -0.489   7.194
  156    HA   ASN  24           HA       ASN  24   0.963  -2.705   6.123
  157    HB2  ASN  24           1HB      ASN  24  -1.493  -2.652   6.789
  158    HB3  ASN  24           2HB      ASN  24  -1.807  -1.702   5.353
  159   HD21  ASN  24          1HD2      ASN  24  -0.105  -4.779   6.266
  160   HD22  ASN  24          2HD2      ASN  24  -0.803  -5.678   4.929
  161    H    LEU  25           H        LEU  25  -0.146   0.420   4.741
  162    HA   LEU  25           HA       LEU  25   1.026   0.010   2.142
  163    HB2  LEU  25           1HB      LEU  25  -0.682   1.703   2.513
  164    HB3  LEU  25           2HB      LEU  25   0.324   2.529   3.703
  165    HG   LEU  25           HG       LEU  25   1.955   3.128   1.954
  166   HD11  LEU  25          1HD1      LEU  25   0.040   1.711   0.046
  167   HD12  LEU  25          2HD1      LEU  25   1.707   1.215   0.414
  168   HD13  LEU  25          3HD1      LEU  25   1.429   2.728  -0.425
  169   HD21  LEU  25          3HD2      LEU  25   0.577   4.708   0.721
  170   HD22  LEU  25          1HD2      LEU  25   0.038   4.616   2.408
  171   HD23  LEU  25          2HD2      LEU  25  -0.885   3.788   1.130
  172    H    ASN  26           H        ASN  26   2.329   1.333   5.243
  173    HA   ASN  26           HA       ASN  26   4.857   2.128   4.126
  174    HB2  ASN  26           1HB      ASN  26   3.884   1.572   6.926
  175    HB3  ASN  26           2HB      ASN  26   5.609   1.704   6.618
  176   HD21  ASN  26          2HD2      ASN  26   2.531   3.513   6.114
  177   HD22  ASN  26          1HD2      ASN  26   3.338   5.081   6.154
  178    H    VAL  27           H        VAL  27   3.889  -1.062   5.541
  179    HA   VAL  27           HA       VAL  27   6.434  -2.312   5.010
  180    HB   VAL  27           HB       VAL  27   3.615  -3.461   5.193
  181   HG11  VAL  27          1HG1      VAL  27   6.281  -4.943   5.144
  182   HG12  VAL  27          2HG1      VAL  27   4.728  -5.660   5.628
  183   HG13  VAL  27          3HG1      VAL  27   4.952  -5.104   3.971
  184   HG21  VAL  27          3HG2      VAL  27   4.339  -4.170   7.439
  185   HG22  VAL  27          1HG2      VAL  27   5.949  -3.466   7.162
  186   HG23  VAL  27          2HG2      VAL  27   4.522  -2.420   7.282
  187    H    HIS  28           H        HIS  28   3.556  -1.847   2.897
  188    HA   HIS  28           HA       HIS  28   4.635  -3.339   0.717
  189    HB2  HIS  28           1HB      HIS  28   2.266  -2.712   0.873
  190    HB3  HIS  28           2HB      HIS  28   2.674  -1.011   0.739
  191    HD1  HIS  28           1HD      HIS  28   2.463  -4.135  -1.472
  192    HD2  HIS  28           2HD      HIS  28   3.334  -0.030  -1.642
  193    HE1  HIS  28           1HE      HIS  28   2.636  -3.571  -3.942
  194    H    LEU  29           H        LEU  29   4.949   0.133   1.576
  195    HA   LEU  29           HA       LEU  29   6.596   0.874  -0.675
  196    HB2  LEU  29           1HB      LEU  29   6.276   2.053   2.089
  197    HB3  LEU  29           2HB      LEU  29   7.264   2.795   0.832
  198    HG   LEU  29           HG       LEU  29   4.358   2.172   0.339
  199   HD11  LEU  29          1HD1      LEU  29   4.581   3.541   2.377
  200   HD12  LEU  29          2HD1      LEU  29   4.008   4.589   1.057
  201   HD13  LEU  29          3HD1      LEU  29   5.729   4.612   1.565
  202   HD21  LEU  29          3HD2      LEU  29   6.319   4.142  -0.913
  203   HD22  LEU  29          1HD2      LEU  29   4.575   4.110  -1.227
  204   HD23  LEU  29          2HD2      LEU  29   5.562   2.731  -1.694
  205    H    ARG  30           H        ARG  30   7.394  -0.499   2.514
  206    HA   ARG  30           HA       ARG  30  10.140   0.036   2.425
  207    HB2  ARG  30           1HB      ARG  30   8.527  -2.177   3.746
  208    HB3  ARG  30           2HB      ARG  30  10.283  -2.195   3.845
  209    HG2  ARG  30           1HG      ARG  30  10.348  -0.046   4.931
  210    HG3  ARG  30           2HG      ARG  30   8.637   0.214   4.701
  211    HD2  ARG  30           1HD      ARG  30   9.035  -0.415   6.990
  212    HD3  ARG  30           2HD      ARG  30   8.147  -1.719   6.192
  213    HE   ARG  30           HE       ARG  30  10.975  -2.217   6.040
  214   HH11  ARG  30          2HH1      ARG  30   8.430  -2.284   8.448
  215   HH12  ARG  30          1HH1      ARG  30   9.234  -3.509   9.392
  216   HH21  ARG  30          2HH2      ARG  30  11.943  -3.776   7.291
  217   HH22  ARG  30          1HH2      ARG  30  11.174  -4.318   8.753
  218    H    LYS  31           H        LYS  31   8.362  -2.103   0.437
  219    HA   LYS  31           HA       LYS  31  10.688  -3.598  -0.605
  220    HB2  LYS  31           1HB      LYS  31   7.805  -3.511  -1.586
  221    HB3  LYS  31           2HB      LYS  31   9.068  -4.612  -2.132
  222    HG2  LYS  31           1HG      LYS  31   9.235  -5.588   0.139
  223    HG3  LYS  31           2HG      LYS  31   7.959  -4.498   0.713
  224    HD2  LYS  31           1HD      LYS  31   6.361  -5.483  -0.894
  225    HD3  LYS  31           2HD      LYS  31   7.631  -6.584  -1.482
  226    HE2  LYS  31           1HE      LYS  31   7.863  -7.510   0.826
  227    HE3  LYS  31           2HE      LYS  31   6.566  -6.443   1.377
  228    HZ1  LYS  31           3HZ      LYS  31   5.064  -7.588  -0.174
  229    HZ2  LYS  31           1HZ      LYS  31   5.728  -8.664   0.856
  230    HZ3  LYS  31           2HZ      LYS  31   6.268  -8.572  -0.680
  231    H    HIS  32           H        HIS  32   8.905  -0.634  -1.418
  232    HA   HIS  32           HA       HIS  32  10.231  -0.378  -4.043
  233    HB2  HIS  32           1HB      HIS  32   8.469   1.488  -2.409
  234    HB3  HIS  32           2HB      HIS  32   9.142   1.881  -3.989
  235    HD1  HIS  32           1HD      HIS  32   8.480  -0.296  -5.884
  236    HD2  HIS  32           2HD      HIS  32   5.976   0.787  -2.690
  237    HE1  HIS  32           1HE      HIS  32   6.181  -1.153  -6.497
  238    H    THR  33           H        THR  33  10.715   0.864  -0.730
  239    HA   THR  33           HA       THR  33  12.900   2.656  -1.553
  240    HB   THR  33           HB       THR  33  13.014   3.267   0.802
  241    HG1  THR  33           1HG      THR  33  11.585   2.369   2.261
  242   HG21  THR  33          3HG2      THR  33  10.834   4.295   1.056
  243   HG22  THR  33          1HG2      THR  33  10.112   3.181  -0.122
  244   HG23  THR  33          2HG2      THR  33  11.321   4.373  -0.645
  245    H    GLY  34           H        GLY  34  14.897   2.631  -0.016
  246    HA2  GLY  34           1HA      GLY  34  16.657   1.476   1.039
  247    HA3  GLY  34           2HA      GLY  34  15.945  -0.068   0.599
  248    H    GLU  35           H        GLU  35  18.306  -0.410   0.163
  249    HA   GLU  35           HA       GLU  35  19.573   0.874  -2.110
  250    HB2  GLU  35           1HB      GLU  35  20.361  -1.570  -0.478
  251    HB3  GLU  35           2HB      GLU  35  21.366  -0.803  -1.714
  252    HG2  GLU  35           1HG      GLU  35  21.322   1.329  -0.428
  253    HG3  GLU  35           2HG      GLU  35  20.388   0.538   0.844
  254    H    LYS  36           H        LYS  36  20.370  -0.132  -4.006
  255    HA   LYS  36           HA       LYS  36  18.428  -1.863  -5.373
  256    HB2  LYS  36           1HB      LYS  36  20.985  -0.525  -6.340
  257    HB3  LYS  36           2HB      LYS  36  19.875  -1.459  -7.350
  258    HG2  LYS  36           1HG      LYS  36  18.025   0.125  -6.745
  259    HG3  LYS  36           2HG      LYS  36  19.191   1.132  -5.884
  260    HD2  LYS  36           1HD      LYS  36  19.244   0.435  -8.852
  261    HD3  LYS  36           2HD      LYS  36  18.699   1.965  -8.178
  262    HE2  LYS  36           1HE      LYS  36  21.542   0.870  -7.942
  263    HE3  LYS  36           2HE      LYS  36  21.003   2.015  -9.168
  264    HZ1  LYS  36           3HZ      LYS  36  20.455   3.587  -7.393
  265    HZ2  LYS  36           1HZ      LYS  36  22.030   3.174  -7.322
  266    HZ3  LYS  36           2HZ      LYS  36  20.979   2.546  -6.246
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1 -22.816 -10.534  -6.519
    2    H2   GLY   1           2H       GLY   1 -23.491 -11.502  -5.381
    3    H3   GLY   1           3H       GLY   1 -21.906 -11.668  -5.769
    4    HA2  GLY   1           1HA      GLY   1 -23.107  -9.310  -4.470
    5    HA3  GLY   1           2HA      GLY   1 -22.135 -10.545  -3.649
    6    H    SER   2           H        SER   2 -21.490  -7.814  -3.605
    7    HA   SER   2           HA       SER   2 -19.549  -7.032  -5.554
    8    HB2  SER   2           1HB      SER   2 -19.892  -6.076  -2.687
    9    HB3  SER   2           2HB      SER   2 -18.999  -5.244  -3.974
   10    HG   SER   2           HG       SER   2 -21.139  -4.430  -3.732
   11    H    SER   3           H        SER   3 -17.285  -6.823  -5.414
   12    HA   SER   3           HA       SER   3 -15.889  -9.076  -4.368
   13    HB2  SER   3           1HB      SER   3 -14.747  -6.467  -5.432
   14    HB3  SER   3           2HB      SER   3 -13.905  -8.023  -5.309
   15    HG   SER   3           HG       SER   3 -14.725  -7.650  -7.424
   16    H    GLY   4           H        GLY   4 -16.667  -6.151  -2.757
   17    HA2  GLY   4           1HA      GLY   4 -15.366  -6.960  -0.320
   18    HA3  GLY   4           2HA      GLY   4 -14.555  -5.562  -1.035
   19    H    SER   5           H        SER   5 -15.706  -5.327   1.445
   20    HA   SER   5           HA       SER   5 -18.450  -4.371   1.332
   21    HB2  SER   5           1HB      SER   5 -18.062  -3.878   3.739
   22    HB3  SER   5           2HB      SER   5 -17.684  -5.546   3.277
   23    HG   SER   5           HG       SER   5 -16.047  -4.614   4.605
   24    H    SER   6           H        SER   6 -15.291  -2.783   1.324
   25    HA   SER   6           HA       SER   6 -16.466  -0.244   0.450
   26    HB2  SER   6           1HB      SER   6 -15.069  -0.518   3.141
   27    HB3  SER   6           2HB      SER   6 -15.100   1.013   2.253
   28    HG   SER   6           HG       SER   6 -17.497  -0.405   2.733
   29    H    GLY   7           H        GLY   7 -15.002   1.106  -0.567
   30    HA2  GLY   7           1HA      GLY   7 -12.494   0.069  -1.572
   31    HA3  GLY   7           2HA      GLY   7 -13.104   1.715  -1.751
   32    H    LYS   8           H        LYS   8 -10.389   1.048  -1.251
   33    HA   LYS   8           HA       LYS   8  -9.922   1.434   1.644
   34    HB2  LYS   8           1HB      LYS   8  -8.032   0.615  -0.564
   35    HB3  LYS   8           2HB      LYS   8  -7.608   0.722   1.141
   36    HG2  LYS   8           1HG      LYS   8  -9.598  -1.148  -0.147
   37    HG3  LYS   8           2HG      LYS   8  -8.013  -1.574   0.509
   38    HD2  LYS   8           1HD      LYS   8  -8.789  -1.070   2.759
   39    HD3  LYS   8           2HD      LYS   8 -10.381  -0.595   2.169
   40    HE2  LYS   8           1HE      LYS   8  -9.162  -3.375   1.918
   41    HE3  LYS   8           2HE      LYS   8 -10.354  -2.876   3.120
   42    HZ1  LYS   8           3HZ      LYS   8 -11.890  -2.364   1.230
   43    HZ2  LYS   8           1HZ      LYS   8 -11.483  -3.946   1.312
   44    HZ3  LYS   8           2HZ      LYS   8 -10.800  -2.989   0.187
   45    HA   PRO   9           HA       PRO   9  -8.536   5.588   1.127
   46    HB2  PRO   9           1HB      PRO   9  -7.481   6.068   3.607
   47    HB3  PRO   9           2HB      PRO   9  -9.222   5.811   3.319
   48    HG2  PRO   9           1HG      PRO   9  -7.187   3.817   4.311
   49    HG3  PRO   9           2HG      PRO   9  -8.832   4.101   4.925
   50    HD2  PRO   9           1HD      PRO   9  -8.173   2.054   3.105
   51    HD3  PRO   9           2HD      PRO   9  -9.748   2.836   3.258
   52    H    TYR  10           H        TYR  10  -5.983   3.450   2.596
   53    HA   TYR  10           HA       TYR  10  -3.923   5.340   1.737
   54    HB2  TYR  10           1HB      TYR  10  -3.609   2.650   3.123
   55    HB3  TYR  10           2HB      TYR  10  -2.384   3.890   2.954
   56    HD1  TYR  10           2HD      TYR  10  -2.603   6.077   4.193
   57    HD2  TYR  10           1HD      TYR  10  -5.315   2.782   4.840
   58    HE1  TYR  10           2HE      TYR  10  -3.372   7.121   6.318
   59    HE2  TYR  10           1HE      TYR  10  -6.048   3.801   6.975
   60    HH   TYR  10           HH       TYR  10  -4.754   6.939   8.143
   61    H    LYS  11           H        LYS  11  -2.756   5.169  -0.163
   62    HA   LYS  11           HA       LYS  11  -2.914   2.630  -1.741
   63    HB2  LYS  11           1HB      LYS  11  -3.261   5.400  -2.903
   64    HB3  LYS  11           2HB      LYS  11  -3.484   3.833  -3.692
   65    HG2  LYS  11           1HG      LYS  11  -5.377   3.392  -2.021
   66    HG3  LYS  11           2HG      LYS  11  -5.174   5.066  -1.499
   67    HD2  LYS  11           1HD      LYS  11  -5.628   5.812  -3.828
   68    HD3  LYS  11           2HD      LYS  11  -5.966   4.133  -4.269
   69    HE2  LYS  11           1HE      LYS  11  -8.077   5.204  -3.850
   70    HE3  LYS  11           2HE      LYS  11  -7.766   4.063  -2.539
   71    HZ1  LYS  11           3HZ      LYS  11  -8.563   6.163  -1.671
   72    HZ2  LYS  11           1HZ      LYS  11  -7.371   7.010  -2.400
   73    HZ3  LYS  11           2HZ      LYS  11  -7.016   5.978  -1.176
   74    H    CYS  12           H        CYS  12  -1.253   2.133  -3.121
   75    HA   CYS  12           HA       CYS  12   1.356   3.172  -2.506
   76    HB2  CYS  12           1HB      CYS  12   0.955   0.840  -3.008
   77    HB3  CYS  12           2HB      CYS  12   0.380   1.254  -4.630
   78    HA   PRO  13           HA       PRO  13   1.392   6.366  -5.723
   79    HB2  PRO  13           1HB      PRO  13   3.997   7.153  -5.568
   80    HB3  PRO  13           2HB      PRO  13   2.803   7.513  -4.286
   81    HG2  PRO  13           1HG      PRO  13   4.819   5.245  -4.372
   82    HG3  PRO  13           2HG      PRO  13   4.493   6.386  -3.027
   83    HD2  PRO  13           1HD      PRO  13   3.373   3.893  -3.161
   84    HD3  PRO  13           2HD      PRO  13   2.489   5.276  -2.456
   85    H    GLN  14           H        GLN  14   3.016   3.323  -5.864
   86    HA   GLN  14           HA       GLN  14   3.795   3.766  -8.730
   87    HB2  GLN  14           1HB      GLN  14   5.040   1.901  -6.680
   88    HB3  GLN  14           2HB      GLN  14   5.456   1.985  -8.397
   89    HG2  GLN  14           1HG      GLN  14   6.082   4.410  -8.071
   90    HG3  GLN  14           2HG      GLN  14   5.804   4.208  -6.341
   91   HE21  GLN  14          1HE2      GLN  14   8.151   4.974  -6.307
   92   HE22  GLN  14          2HE2      GLN  14   9.380   3.728  -6.479
   93    H    CYS  15           H        CYS  15   1.952   1.683  -6.569
   94    HA   CYS  15           HA       CYS  15   1.280  -0.130  -8.865
   95    HB2  CYS  15           1HB      CYS  15   0.855  -0.746  -5.940
   96    HB3  CYS  15           2HB      CYS  15   0.875  -1.864  -7.301
   97    H    SER  16           H        SER  16  -0.876  -1.258  -8.526
   98    HA   SER  16           HA       SER  16  -3.111   0.597  -8.050
   99    HB2  SER  16           1HB      SER  16  -4.482  -1.366  -8.724
  100    HB3  SER  16           2HB      SER  16  -3.259  -0.921  -9.925
  101    HG   SER  16           HG       SER  16  -3.314  -3.194  -9.534
  102    H    TYR  17           H        TYR  17  -1.131  -1.020  -5.985
  103    HA   TYR  17           HA       TYR  17  -2.790  -2.461  -4.200
  104    HB2  TYR  17           1HB      TYR  17  -0.375  -2.700  -4.224
  105    HB3  TYR  17           2HB      TYR  17  -0.154  -1.010  -3.808
  106    HD1  TYR  17           1HD      TYR  17  -0.605  -0.166  -1.506
  107    HD2  TYR  17           2HD      TYR  17  -0.997  -4.350  -2.519
  108    HE1  TYR  17           1HE      TYR  17  -0.645  -0.747   0.902
  109    HE2  TYR  17           2HE      TYR  17  -1.005  -4.925  -0.098
  110    HH   TYR  17           HH       TYR  17  -0.884  -4.141   2.035
  111    H    ALA  18           H        ALA  18  -4.072  -1.911  -2.548
  112    HA   ALA  18           HA       ALA  18  -3.698   0.603  -1.150
  113    HB1  ALA  18           1HB      ALA  18  -6.420  -0.078  -2.347
  114    HB2  ALA  18           2HB      ALA  18  -6.033   1.314  -1.303
  115    HB3  ALA  18           3HB      ALA  18  -5.337   1.209  -2.924
  116    H    SER  19           H        SER  19  -4.503   0.611   0.977
  117    HA   SER  19           HA       SER  19  -5.802  -1.836   2.033
  118    HB2  SER  19           1HB      SER  19  -3.272  -2.104   2.169
  119    HB3  SER  19           2HB      SER  19  -3.271  -0.758   3.322
  120    HG   SER  19           HG       SER  19  -4.544  -3.305   3.528
  121    H    ALA  20           H        ALA  20  -6.470  -1.624   4.301
  122    HA   ALA  20           HA       ALA  20  -7.743   0.987   4.800
  123    HB1  ALA  20           1HB      ALA  20  -7.988  -1.709   6.194
  124    HB2  ALA  20           2HB      ALA  20  -8.997  -0.280   6.504
  125    HB3  ALA  20           3HB      ALA  20  -9.070  -1.078   4.931
  126    H    ILE  21           H        ILE  21  -4.759  -0.260   5.629
  127    HA   ILE  21           HA       ILE  21  -4.588   1.311   8.172
  128    HB   ILE  21           HB       ILE  21  -3.449  -1.442   7.586
  129   HG12  ILE  21          1HG1      ILE  21  -5.560  -0.561   9.608
  130   HG13  ILE  21          2HG1      ILE  21  -5.860  -1.489   8.138
  131   HG21  ILE  21          1HG2      ILE  21  -2.534  -1.393   9.879
  132   HG22  ILE  21          2HG2      ILE  21  -1.852  -0.126   8.903
  133   HG23  ILE  21          3HG2      ILE  21  -3.121   0.274  10.087
  134   HD11  ILE  21          3HD1      ILE  21  -4.400  -3.327   9.037
  135   HD12  ILE  21          1HD1      ILE  21  -4.373  -2.455  10.592
  136   HD13  ILE  21          2HD1      ILE  21  -5.905  -3.031   9.929
  137    H    LYS  22           H        LYS  22  -2.962   2.730   8.239
  138    HA   LYS  22           HA       LYS  22  -1.335   3.313   5.976
  139    HB2  LYS  22           1HB      LYS  22  -2.155   4.856   7.829
  140    HB3  LYS  22           2HB      LYS  22  -0.872   4.214   8.853
  141    HG2  LYS  22           1HG      LYS  22   0.828   5.029   7.245
  142    HG3  LYS  22           2HG      LYS  22  -0.457   5.589   6.155
  143    HD2  LYS  22           1HD      LYS  22  -1.256   7.153   7.921
  144    HD3  LYS  22           2HD      LYS  22   0.045   6.597   8.995
  145    HE2  LYS  22           1HE      LYS  22   1.734   7.363   7.338
  146    HE3  LYS  22           2HE      LYS  22   0.439   7.908   6.264
  147    HZ1  LYS  22           3HZ      LYS  22  -0.239   9.489   7.997
  148    HZ2  LYS  22           1HZ      LYS  22   1.321   9.742   7.593
  149    HZ3  LYS  22           2HZ      LYS  22   0.957   8.982   8.990
  150    H    ALA  23           H        ALA  23  -0.566   1.463   8.899
  151    HA   ALA  23           HA       ALA  23   2.222   1.117   8.457
  152    HB1  ALA  23           1HB      ALA  23   2.007  -0.732  10.036
  153    HB2  ALA  23           2HB      ALA  23   1.046   0.656  10.584
  154    HB3  ALA  23           3HB      ALA  23   0.246  -0.747   9.831
  155    H    ASN  24           H        ASN  24  -0.569  -0.729   7.143
  156    HA   ASN  24           HA       ASN  24   0.970  -2.850   5.951
  157    HB2  ASN  24           1HB      ASN  24  -1.759  -1.670   5.242
  158    HB3  ASN  24           2HB      ASN  24  -1.076  -3.098   4.499
  159   HD21  ASN  24          1HD2      ASN  24  -3.450  -3.413   5.533
  160   HD22  ASN  24          2HD2      ASN  24  -3.351  -4.376   7.011
  161    H    LEU  25           H        LEU  25  -0.118   0.341   4.682
  162    HA   LEU  25           HA       LEU  25   1.144   0.042   2.126
  163    HB2  LEU  25           1HB      LEU  25  -0.630   1.678   2.517
  164    HB3  LEU  25           2HB      LEU  25   0.362   2.521   3.713
  165    HG   LEU  25           HG       LEU  25   2.001   3.141   1.966
  166   HD11  LEU  25          1HD1      LEU  25   1.748   1.259   0.393
  167   HD12  LEU  25          2HD1      LEU  25   1.457   2.787  -0.418
  168   HD13  LEU  25          3HD1      LEU  25   0.077   1.757   0.043
  169   HD21  LEU  25          3HD2      LEU  25   0.629   4.741   0.766
  170   HD22  LEU  25          1HD2      LEU  25   0.097   4.627   2.453
  171   HD23  LEU  25          2HD2      LEU  25  -0.836   3.824   1.168
  172    H    ASN  26           H        ASN  26   2.367   1.313   5.264
  173    HA   ASN  26           HA       ASN  26   4.900   2.194   4.227
  174    HB2  ASN  26           1HB      ASN  26   3.879   1.470   6.974
  175    HB3  ASN  26           2HB      ASN  26   5.609   1.653   6.714
  176   HD21  ASN  26          1HD2      ASN  26   2.502   3.423   6.260
  177   HD22  ASN  26          2HD2      ASN  26   3.275   5.003   6.392
  178    H    VAL  27           H        VAL  27   3.972  -1.054   5.538
  179    HA   VAL  27           HA       VAL  27   6.543  -2.246   4.993
  180    HB   VAL  27           HB       VAL  27   3.756  -3.458   5.198
  181   HG11  VAL  27          1HG1      VAL  27   6.455  -4.878   5.140
  182   HG12  VAL  27          2HG1      VAL  27   4.917  -5.628   5.628
  183   HG13  VAL  27          3HG1      VAL  27   5.125  -5.070   3.971
  184   HG21  VAL  27          3HG2      VAL  27   6.100  -3.386   7.152
  185   HG22  VAL  27          1HG2      VAL  27   4.636  -2.391   7.276
  186   HG23  VAL  27          2HG2      VAL  27   4.516  -4.146   7.439
  187    H    HIS  28           H        HIS  28   3.636  -1.856   2.903
  188    HA   HIS  28           HA       HIS  28   4.725  -3.317   0.713
  189    HB2  HIS  28           1HB      HIS  28   2.352  -2.744   0.886
  190    HB3  HIS  28           2HB      HIS  28   2.719  -1.027   0.766
  191    HD1  HIS  28           1HD      HIS  28   2.484  -4.138  -1.451
  192    HD2  HIS  28           2HD      HIS  28   3.358  -0.034  -1.635
  193    HE1  HIS  28           1HE      HIS  28   2.599  -3.567  -3.924
  194    H    LEU  29           H        LEU  29   5.003   0.155   1.571
  195    HA   LEU  29           HA       LEU  29   6.622   0.912  -0.701
  196    HB2  LEU  29           1HB      LEU  29   6.311   2.105   2.059
  197    HB3  LEU  29           2HB      LEU  29   7.272   2.852   0.783
  198    HG   LEU  29           HG       LEU  29   4.374   2.181   0.327
  199   HD11  LEU  29          1HD1      LEU  29   5.713   4.654   1.521
  200   HD12  LEU  29          2HD1      LEU  29   4.601   3.564   2.359
  201   HD13  LEU  29          3HD1      LEU  29   3.987   4.592   1.041
  202   HD21  LEU  29          3HD2      LEU  29   4.535   4.112  -1.251
  203   HD22  LEU  29          1HD2      LEU  29   5.548   2.751  -1.722
  204   HD23  LEU  29          2HD2      LEU  29   6.282   4.181  -0.957
  205    H    ARG  30           H        ARG  30   7.476  -0.426   2.497
  206    HA   ARG  30           HA       ARG  30  10.214   0.161   2.365
  207    HB2  ARG  30           1HB      ARG  30   8.711  -2.162   3.645
  208    HB3  ARG  30           2HB      ARG  30  10.468  -2.082   3.728
  209    HG2  ARG  30           1HG      ARG  30  10.419   0.043   4.868
  210    HG3  ARG  30           2HG      ARG  30   8.676   0.168   4.719
  211    HD2  ARG  30           1HD      ARG  30   8.404  -1.878   6.102
  212    HD3  ARG  30           2HD      ARG  30  10.152  -2.022   6.252
  213    HE   ARG  30           HE       ARG  30   8.367  -0.136   7.634
  214   HH11  ARG  30          2HH2      ARG  30  11.739  -0.776   6.898
  215   HH12  ARG  30          1HH2      ARG  30  12.302   0.222   8.210
  216   HH21  ARG  30          2HH1      ARG  30   9.162   1.116   9.282
  217   HH22  ARG  30          1HH1      ARG  30  10.878   1.260   9.516
  218    H    LYS  31           H        LYS  31   8.412  -2.137   0.498
  219    HA   LYS  31           HA       LYS  31  10.719  -3.588  -0.609
  220    HB2  LYS  31           1HB      LYS  31   7.828  -3.482  -1.565
  221    HB3  LYS  31           2HB      LYS  31   9.072  -4.604  -2.108
  222    HG2  LYS  31           1HG      LYS  31   9.242  -5.569   0.157
  223    HG3  LYS  31           2HG      LYS  31   8.004  -4.446   0.747
  224    HD2  LYS  31           1HD      LYS  31   6.379  -5.371  -0.886
  225    HD3  LYS  31           2HD      LYS  31   7.577  -6.563  -1.408
  226    HE2  LYS  31           1HE      LYS  31   6.513  -6.266   1.445
  227    HE3  LYS  31           2HE      LYS  31   5.870  -7.402   0.256
  228    HZ1  LYS  31           3HZ      LYS  31   7.471  -8.496   1.688
  229    HZ2  LYS  31           1HZ      LYS  31   8.651  -7.441   1.302
  230    HZ3  LYS  31           2HZ      LYS  31   8.063  -8.466   0.170
  231    H    HIS  32           H        HIS  32   8.895  -0.654  -1.444
  232    HA   HIS  32           HA       HIS  32  10.210  -0.386  -4.063
  233    HB2  HIS  32           1HB      HIS  32   8.458   1.448  -2.391
  234    HB3  HIS  32           2HB      HIS  32   9.122   1.887  -3.966
  235    HD1  HIS  32           1HD      HIS  32   8.478  -0.310  -5.879
  236    HD2  HIS  32           2HD      HIS  32   5.963   0.786  -2.700
  237    HE1  HIS  32           1HE      HIS  32   6.182  -1.172  -6.497
  238    H    THR  33           H        THR  33  10.791   0.827  -0.745
  239    HA   THR  33           HA       THR  33  12.948   2.607  -1.709
  240    HB   THR  33           HB       THR  33  13.002   3.436   0.586
  241    HG1  THR  33           1HG      THR  33  11.483   2.678   2.056
  242   HG21  THR  33          3HG2      THR  33  11.368   4.403  -1.030
  243   HG22  THR  33          1HG2      THR  33  10.809   4.487   0.649
  244   HG23  THR  33          2HG2      THR  33  10.136   3.263  -0.446
  245    H    GLY  34           H        GLY  34  12.731  -0.457   0.054
  246    HA2  GLY  34           1HA      GLY  34  15.340  -0.341   1.232
  247    HA3  GLY  34           2HA      GLY  34  14.287  -1.748   1.104
  248    H    GLU  35           H        GLU  35  14.561  -1.018  -2.035
  249    HA   GLU  35           HA       GLU  35  17.265  -2.042  -2.576
  250    HB2  GLU  35           1HB      GLU  35  16.507  -3.959  -3.872
  251    HB3  GLU  35           2HB      GLU  35  16.021  -4.105  -2.188
  252    HG2  GLU  35           1HG      GLU  35  13.714  -3.392  -2.782
  253    HG3  GLU  35           2HG      GLU  35  14.199  -3.227  -4.473
  254    H    LYS  36           H        LYS  36  17.747  -2.171  -4.877
  255    HA   LYS  36           HA       LYS  36  18.147  -1.076  -6.827
  256    HB2  LYS  36           1HB      LYS  36  15.123  -1.242  -7.063
  257    HB3  LYS  36           2HB      LYS  36  16.258  -0.940  -8.386
  258    HG2  LYS  36           1HG      LYS  36  17.320  -3.156  -7.998
  259    HG3  LYS  36           2HG      LYS  36  16.190  -3.466  -6.675
  260    HD2  LYS  36           1HD      LYS  36  15.417  -4.638  -8.614
  261    HD3  LYS  36           2HD      LYS  36  14.283  -3.327  -8.261
  262    HE2  LYS  36           1HE      LYS  36  15.323  -1.944 -10.044
  263    HE3  LYS  36           2HE      LYS  36  16.504  -3.223 -10.358
  264    HZ1  LYS  36           3HZ      LYS  36  14.654  -3.315 -11.927
  265    HZ2  LYS  36           1HZ      LYS  36  13.565  -3.490 -10.724
  266    HZ3  LYS  36           2HZ      LYS  36  14.658  -4.670 -11.019
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -22.652  11.626  -9.919
    2    H2   GLY   1           2H       GLY   1 -21.935  11.735 -11.388
    3    H3   GLY   1           3H       GLY   1 -21.017  11.594 -10.039
    4    HA2  GLY   1           1HA      GLY   1 -21.874   9.379  -9.611
    5    HA3  GLY   1           2HA      GLY   1 -22.844   9.531 -11.087
    6    H    SER   2           H        SER   2 -21.873   7.799 -12.135
    7    HA   SER   2           HA       SER   2 -20.404   6.633 -13.385
    8    HB2  SER   2           1HB      SER   2 -19.288   9.358 -14.094
    9    HB3  SER   2           2HB      SER   2 -19.172   7.880 -15.063
   10    HG   SER   2           HG       SER   2 -21.421   7.894 -15.314
   11    H    SER   3           H        SER   3 -19.486   6.942 -10.633
   12    HA   SER   3           HA       SER   3 -16.755   5.935 -10.959
   13    HB2  SER   3           1HB      SER   3 -16.552   8.461 -10.741
   14    HB3  SER   3           2HB      SER   3 -17.238   8.307  -9.113
   15    HG   SER   3           HG       SER   3 -14.914   8.281  -9.156
   16    H    GLY   4           H        GLY   4 -15.907   5.108  -8.840
   17    HA2  GLY   4           1HA      GLY   4 -17.844   3.401  -7.552
   18    HA3  GLY   4           2HA      GLY   4 -16.149   3.579  -7.106
   19    H    SER   5           H        SER   5 -18.799   3.483  -5.563
   20    HA   SER   5           HA       SER   5 -19.022   6.085  -4.252
   21    HB2  SER   5           1HB      SER   5 -20.828   4.964  -2.985
   22    HB3  SER   5           2HB      SER   5 -21.011   4.819  -4.741
   23    HG   SER   5           HG       SER   5 -21.368   2.816  -3.657
   24    H    SER   6           H        SER   6 -17.132   3.270  -3.631
   25    HA   SER   6           HA       SER   6 -16.144   4.373  -1.086
   26    HB2  SER   6           1HB      SER   6 -18.119   2.895  -0.520
   27    HB3  SER   6           2HB      SER   6 -17.221   1.529  -1.206
   28    HG   SER   6           HG       SER   6 -16.957   1.766   1.091
   29    H    GLY   7           H        GLY   7 -14.212   3.225  -0.317
   30    HA2  GLY   7           1HA      GLY   7 -12.787   1.237  -1.722
   31    HA3  GLY   7           2HA      GLY   7 -12.254   2.793  -2.362
   32    H    LYS   8           H        LYS   8 -10.348   1.356  -1.272
   33    HA   LYS   8           HA       LYS   8  -9.915   1.735   1.578
   34    HB2  LYS   8           1HB      LYS   8  -8.033   1.018  -0.673
   35    HB3  LYS   8           2HB      LYS   8  -7.579   0.999   1.027
   36    HG2  LYS   8           1HG      LYS   8  -9.687  -0.734  -0.290
   37    HG3  LYS   8           2HG      LYS   8  -8.050  -1.225   0.166
   38    HD2  LYS   8           1HD      LYS   8  -8.591  -0.988   2.524
   39    HD3  LYS   8           2HD      LYS   8 -10.221  -0.399   2.131
   40    HE2  LYS   8           1HE      LYS   8 -10.669  -2.532   0.909
   41    HE3  LYS   8           2HE      LYS   8  -9.077  -3.131   1.383
   42    HZ1  LYS   8           3HZ      LYS   8  -9.793  -3.020   3.707
   43    HZ2  LYS   8           1HZ      LYS   8 -10.845  -3.929   2.859
   44    HZ3  LYS   8           2HZ      LYS   8 -11.254  -2.410   3.281
   45    HA   PRO   9           HA       PRO   9  -8.314   5.880   1.401
   46    HB2  PRO   9           1HB      PRO   9  -7.154   6.060   3.883
   47    HB3  PRO   9           2HB      PRO   9  -8.911   6.033   3.593
   48    HG2  PRO   9           1HG      PRO   9  -7.138   3.772   4.483
   49    HG3  PRO   9           2HG      PRO   9  -8.775   4.173   5.039
   50    HD2  PRO   9           1HD      PRO   9  -8.161   2.205   3.105
   51    HD3  PRO   9           2HD      PRO   9  -9.707   3.047   3.291
   52    H    TYR  10           H        TYR  10  -5.919   3.412   2.582
   53    HA   TYR  10           HA       TYR  10  -3.730   5.197   1.781
   54    HB2  TYR  10           1HB      TYR  10  -3.585   2.471   3.112
   55    HB3  TYR  10           2HB      TYR  10  -2.282   3.628   2.937
   56    HD1  TYR  10           2HD      TYR  10  -2.329   5.814   4.202
   57    HD2  TYR  10           1HD      TYR  10  -5.269   2.723   4.827
   58    HE1  TYR  10           2HE      TYR  10  -3.068   6.936   6.294
   59    HE2  TYR  10           1HE      TYR  10  -5.953   3.800   6.957
   60    HH   TYR  10           HH       TYR  10  -4.498   6.874   8.097
   61    H    LYS  11           H        LYS  11  -2.754   5.067  -0.164
   62    HA   LYS  11           HA       LYS  11  -2.981   2.585  -1.841
   63    HB2  LYS  11           1HB      LYS  11  -3.651   5.463  -2.490
   64    HB3  LYS  11           2HB      LYS  11  -3.252   4.302  -3.759
   65    HG2  LYS  11           1HG      LYS  11  -5.069   2.911  -3.309
   66    HG3  LYS  11           2HG      LYS  11  -5.390   3.602  -1.717
   67    HD2  LYS  11           1HD      LYS  11  -5.759   5.155  -4.306
   68    HD3  LYS  11           2HD      LYS  11  -7.025   4.186  -3.528
   69    HE2  LYS  11           1HE      LYS  11  -6.766   5.504  -1.437
   70    HE3  LYS  11           2HE      LYS  11  -5.551   6.520  -2.224
   71    HZ1  LYS  11           3HZ      LYS  11  -7.274   7.197  -3.827
   72    HZ2  LYS  11           1HZ      LYS  11  -7.741   7.553  -2.304
   73    HZ3  LYS  11           2HZ      LYS  11  -8.389   6.268  -3.072
   74    H    CYS  12           H        CYS  12  -1.295   2.067  -3.148
   75    HA   CYS  12           HA       CYS  12   1.303   3.119  -2.519
   76    HB2  CYS  12           1HB      CYS  12   0.935   0.784  -3.029
   77    HB3  CYS  12           2HB      CYS  12   0.378   1.192  -4.657
   78    HA   PRO  13           HA       PRO  13   1.306   6.340  -5.718
   79    HB2  PRO  13           1HB      PRO  13   3.915   7.132  -5.569
   80    HB3  PRO  13           2HB      PRO  13   2.718   7.495  -4.288
   81    HG2  PRO  13           1HG      PRO  13   4.741   5.233  -4.364
   82    HG3  PRO  13           2HG      PRO  13   4.408   6.376  -3.024
   83    HD2  PRO  13           1HD      PRO  13   3.302   3.881  -3.150
   84    HD3  PRO  13           2HD      PRO  13   2.403   5.260  -2.457
   85    H    GLN  14           H        GLN  14   2.970   3.324  -5.846
   86    HA   GLN  14           HA       GLN  14   3.816   3.746  -8.694
   87    HB2  GLN  14           1HB      GLN  14   5.031   2.068  -6.470
   88    HB3  GLN  14           2HB      GLN  14   5.515   1.968  -8.168
   89    HG2  GLN  14           1HG      GLN  14   6.206   4.311  -8.172
   90    HG3  GLN  14           2HG      GLN  14   5.621   4.540  -6.527
   91   HE21  GLN  14          1HE2      GLN  14   7.996   2.498  -8.373
   92   HE22  GLN  14          2HE2      GLN  14   9.139   2.456  -7.038
   93    H    CYS  15           H        CYS  15   1.950   1.657  -6.561
   94    HA   CYS  15           HA       CYS  15   1.358  -0.185  -8.861
   95    HB2  CYS  15           1HB      CYS  15   0.911  -0.804  -5.937
   96    HB3  CYS  15           2HB      CYS  15   0.956  -1.923  -7.297
   97    H    SER  16           H        SER  16  -0.790  -1.341  -8.545
   98    HA   SER  16           HA       SER  16  -3.051   0.487  -8.089
   99    HB2  SER  16           1HB      SER  16  -4.393  -1.490  -8.776
  100    HB3  SER  16           2HB      SER  16  -3.164  -1.031  -9.966
  101    HG   SER  16           HG       SER  16  -3.199  -3.305  -9.573
  102    H    TYR  17           H        TYR  17  -1.074  -1.130  -6.019
  103    HA   TYR  17           HA       TYR  17  -2.724  -2.590  -4.251
  104    HB2  TYR  17           1HB      TYR  17  -0.309  -2.800  -4.267
  105    HB3  TYR  17           2HB      TYR  17  -0.110  -1.112  -3.834
  106    HD1  TYR  17           1HD      TYR  17  -0.568  -0.295  -1.531
  107    HD2  TYR  17           2HD      TYR  17  -0.949  -4.471  -2.580
  108    HE1  TYR  17           1HE      TYR  17  -0.588  -0.888   0.864
  109    HE2  TYR  17           2HE      TYR  17  -0.952  -5.064  -0.155
  110    HH   TYR  17           HH       TYR  17  -0.586  -2.593   2.398
  111    H    ALA  18           H        ALA  18  -3.951  -2.096  -2.527
  112    HA   ALA  18           HA       ALA  18  -3.689   0.486  -1.207
  113    HB1  ALA  18           1HB      ALA  18  -6.454  -0.421  -2.092
  114    HB2  ALA  18           2HB      ALA  18  -5.960   1.143  -1.383
  115    HB3  ALA  18           3HB      ALA  18  -5.476   0.721  -3.032
  116    H    SER  19           H        SER  19  -4.470   0.532   0.934
  117    HA   SER  19           HA       SER  19  -5.722  -1.889   2.072
  118    HB2  SER  19           1HB      SER  19  -3.185  -2.111   2.288
  119    HB3  SER  19           2HB      SER  19  -3.254  -0.738   3.409
  120    HG   SER  19           HG       SER  19  -4.505  -3.295   3.616
  121    H    ALA  20           H        ALA  20  -6.408  -1.579   4.340
  122    HA   ALA  20           HA       ALA  20  -7.672   1.073   4.697
  123    HB1  ALA  20           1HB      ALA  20  -9.060  -0.113   6.347
  124    HB2  ALA  20           2HB      ALA  20  -9.083  -0.908   4.770
  125    HB3  ALA  20           3HB      ALA  20  -8.106  -1.591   6.095
  126    H    ILE  21           H        ILE  21  -4.753  -0.187   5.623
  127    HA   ILE  21           HA       ILE  21  -4.610   1.399   8.156
  128    HB   ILE  21           HB       ILE  21  -3.510  -1.381   7.621
  129   HG12  ILE  21          1HG1      ILE  21  -5.594  -0.427   9.636
  130   HG13  ILE  21          2HG1      ILE  21  -5.921  -1.365   8.178
  131   HG21  ILE  21          1HG2      ILE  21  -1.875  -0.097   8.911
  132   HG22  ILE  21          2HG2      ILE  21  -3.131   0.373  10.087
  133   HG23  ILE  21          3HG2      ILE  21  -2.597  -1.316   9.917
  134   HD11  ILE  21          3HD1      ILE  21  -4.449  -2.335  10.640
  135   HD12  ILE  21          1HD1      ILE  21  -5.992  -2.890   9.981
  136   HD13  ILE  21          2HD1      ILE  21  -4.490  -3.221   9.093
  137    H    LYS  22           H        LYS  22  -2.912   2.762   8.269
  138    HA   LYS  22           HA       LYS  22  -1.265   3.347   6.029
  139    HB2  LYS  22           1HB      LYS  22  -1.932   4.883   7.929
  140    HB3  LYS  22           2HB      LYS  22  -0.733   4.081   8.938
  141    HG2  LYS  22           1HG      LYS  22   1.036   4.725   7.241
  142    HG3  LYS  22           2HG      LYS  22  -0.199   5.624   6.354
  143    HD2  LYS  22           1HD      LYS  22   0.677   6.143   9.234
  144    HD3  LYS  22           2HD      LYS  22   1.229   7.042   7.814
  145    HE2  LYS  22           1HE      LYS  22  -1.102   7.769   7.357
  146    HE3  LYS  22           2HE      LYS  22  -1.657   6.895   8.794
  147    HZ1  LYS  22           3HZ      LYS  22  -0.237   8.349  10.141
  148    HZ2  LYS  22           1HZ      LYS  22  -1.289   9.246   9.277
  149    HZ3  LYS  22           2HZ      LYS  22   0.272   9.157   8.815
  150    H    ALA  23           H        ALA  23  -0.480   1.463   8.953
  151    HA   ALA  23           HA       ALA  23   2.262   1.013   8.431
  152    HB1  ALA  23           1HB      ALA  23   1.122   0.590  10.587
  153    HB2  ALA  23           2HB      ALA  23   0.256  -0.786   9.857
  154    HB3  ALA  23           3HB      ALA  23   2.022  -0.833  10.028
  155    H    ASN  24           H        ASN  24  -0.588  -0.762   7.162
  156    HA   ASN  24           HA       ASN  24   0.900  -2.915   5.949
  157    HB2  ASN  24           1HB      ASN  24  -1.826  -1.695   5.318
  158    HB3  ASN  24           2HB      ASN  24  -1.191  -3.135   4.548
  159   HD21  ASN  24          1HD2      ASN  24  -3.538  -3.403   5.661
  160   HD22  ASN  24          2HD2      ASN  24  -3.412  -4.369   7.136
  161    H    LEU  25           H        LEU  25  -0.145   0.305   4.709
  162    HA   LEU  25           HA       LEU  25   1.094  -0.027   2.134
  163    HB2  LEU  25           1HB      LEU  25  -0.680   1.617   2.513
  164    HB3  LEU  25           2HB      LEU  25   0.318   2.470   3.695
  165    HG   LEU  25           HG       LEU  25   1.965   3.035   1.927
  166   HD11  LEU  25          1HD1      LEU  25  -0.023   1.687   0.047
  167   HD12  LEU  25          2HD1      LEU  25   1.639   1.148   0.376
  168   HD13  LEU  25          3HD1      LEU  25   1.375   2.676  -0.446
  169   HD21  LEU  25          3HD2      LEU  25   0.100   4.574   2.426
  170   HD22  LEU  25          1HD2      LEU  25  -0.850   3.799   1.134
  171   HD23  LEU  25          2HD2      LEU  25   0.642   4.671   0.742
  172    H    ASN  26           H        ASN  26   2.308   1.314   5.252
  173    HA   ASN  26           HA       ASN  26   4.825   2.191   4.286
  174    HB2  ASN  26           1HB      ASN  26   3.829   2.665   6.541
  175    HB3  ASN  26           2HB      ASN  26   4.189   1.003   7.012
  176   HD21  ASN  26          1HD2      ASN  26   5.386   2.176   8.775
  177   HD22  ASN  26          2HD2      ASN  26   7.032   2.675   8.414
  178    H    VAL  27           H        VAL  27   3.960  -1.095   5.558
  179    HA   VAL  27           HA       VAL  27   6.527  -2.271   4.987
  180    HB   VAL  27           HB       VAL  27   3.743  -3.489   5.218
  181   HG11  VAL  27          1HG1      VAL  27   5.089  -5.103   3.969
  182   HG12  VAL  27          2HG1      VAL  27   6.436  -4.917   5.117
  183   HG13  VAL  27          3HG1      VAL  27   4.906  -5.663   5.629
  184   HG21  VAL  27          3HG2      VAL  27   6.116  -3.447   7.140
  185   HG22  VAL  27          1HG2      VAL  27   4.672  -2.427   7.288
  186   HG23  VAL  27          2HG2      VAL  27   4.525  -4.180   7.449
  187    H    HIS  28           H        HIS  28   3.599  -1.910   2.912
  188    HA   HIS  28           HA       HIS  28   4.687  -3.374   0.724
  189    HB2  HIS  28           1HB      HIS  28   2.310  -2.805   0.879
  190    HB3  HIS  28           2HB      HIS  28   2.677  -1.088   0.772
  191    HD1  HIS  28           1HD      HIS  28   2.507  -4.188  -1.474
  192    HD2  HIS  28           2HD      HIS  28   3.326  -0.072  -1.615
  193    HE1  HIS  28           1HE      HIS  28   2.681  -3.604  -3.940
  194    H    LEU  29           H        LEU  29   4.941   0.106   1.559
  195    HA   LEU  29           HA       LEU  29   6.523   0.882  -0.725
  196    HB2  LEU  29           1HB      LEU  29   6.222   2.041   2.046
  197    HB3  LEU  29           2HB      LEU  29   7.195   2.819   0.805
  198    HG   LEU  29           HG       LEU  29   4.325   2.112   0.269
  199   HD11  LEU  29          1HD1      LEU  29   3.845   4.485   1.083
  200   HD12  LEU  29          2HD1      LEU  29   5.556   4.570   1.613
  201   HD13  LEU  29          3HD1      LEU  29   4.451   3.414   2.371
  202   HD21  LEU  29          3HD2      LEU  29   4.454   4.114  -1.221
  203   HD22  LEU  29          1HD2      LEU  29   5.528   2.813  -1.718
  204   HD23  LEU  29          2HD2      LEU  29   6.188   4.234  -0.874
  205    H    ARG  30           H        ARG  30   7.450  -0.453   2.463
  206    HA   ARG  30           HA       ARG  30  10.169   0.182   2.293
  207    HB2  ARG  30           1HB      ARG  30   8.746  -2.186   3.572
  208    HB3  ARG  30           2HB      ARG  30  10.499  -2.039   3.645
  209    HG2  ARG  30           1HG      ARG  30  10.360   0.099   4.789
  210    HG3  ARG  30           2HG      ARG  30   8.621   0.146   4.622
  211    HD2  ARG  30           1HD      ARG  30   9.139  -0.510   6.864
  212    HD3  ARG  30           2HD      ARG  30   8.441  -1.907   6.027
  213    HE   ARG  30           HE       ARG  30  11.313  -1.958   5.827
  214   HH11  ARG  30          2HH1      ARG  30   8.839  -2.526   8.244
  215   HH12  ARG  30          1HH1      ARG  30   9.834  -3.654   9.126
  216   HH21  ARG  30          2HH2      ARG  30  12.524  -3.407   6.999
  217   HH22  ARG  30          1HH2      ARG  30  11.866  -4.126   8.439
  218    H    LYS  31           H        LYS  31   8.399  -2.102   0.411
  219    HA   LYS  31           HA       LYS  31  10.698  -3.572  -0.677
  220    HB2  LYS  31           1HB      LYS  31   7.805  -3.505  -1.618
  221    HB3  LYS  31           2HB      LYS  31   9.060  -4.621  -2.152
  222    HG2  LYS  31           1HG      LYS  31   9.266  -5.514   0.162
  223    HG3  LYS  31           2HG      LYS  31   7.963  -4.434   0.691
  224    HD2  LYS  31           1HD      LYS  31   6.406  -5.512  -0.911
  225    HD3  LYS  31           2HD      LYS  31   7.708  -6.610  -1.428
  226    HE2  LYS  31           1HE      LYS  31   7.916  -7.433   0.921
  227    HE3  LYS  31           2HE      LYS  31   6.588  -6.371   1.405
  228    HZ1  LYS  31           3HZ      LYS  31   5.806  -8.630   0.962
  229    HZ2  LYS  31           1HZ      LYS  31   6.372  -8.590  -0.566
  230    HZ3  LYS  31           2HZ      LYS  31   5.138  -7.613  -0.126
  231    H    HIS  32           H        HIS  32   8.985  -0.589  -1.456
  232    HA   HIS  32           HA       HIS  32  10.370  -0.341  -4.071
  233    HB2  HIS  32           1HB      HIS  32   8.542   1.497  -2.487
  234    HB3  HIS  32           2HB      HIS  32   9.204   1.858  -4.084
  235    HD1  HIS  32           1HD      HIS  32   8.561  -0.665  -5.741
  236    HD2  HIS  32           2HD      HIS  32   6.036   0.977  -2.812
  237    HE1  HIS  32           1HE      HIS  32   6.233  -1.480  -6.307
  238    H    THR  33           H        THR  33  10.521   1.117  -0.783
  239    HA   THR  33           HA       THR  33  12.579   3.013  -1.608
  240    HB   THR  33           HB       THR  33  12.395   3.878   0.679
  241    HG1  THR  33           1HG      THR  33  10.800   3.017   2.021
  242   HG21  THR  33          3HG2      THR  33  10.823   4.659  -1.093
  243   HG22  THR  33          1HG2      THR  33  10.106   4.707   0.527
  244   HG23  THR  33          2HG2      THR  33   9.662   3.407  -0.598
  245    H    GLY  34           H        GLY  34  12.488   0.524   0.976
  246    HA2  GLY  34           1HA      GLY  34  15.337   0.796   1.515
  247    HA3  GLY  34           2HA      GLY  34  14.195  -0.305   2.289
  248    H    GLU  35           H        GLU  35  13.303  -1.819   0.097
  249    HA   GLU  35           HA       GLU  35  15.608  -3.571  -0.286
  250    HB2  GLU  35           1HB      GLU  35  13.319  -4.378   0.250
  251    HB3  GLU  35           2HB      GLU  35  12.793  -3.882  -1.365
  252    HG2  GLU  35           1HG      GLU  35  14.445  -5.424  -2.385
  253    HG3  GLU  35           2HG      GLU  35  15.036  -5.865  -0.783
  254    H    LYS  36           H        LYS  36  17.094  -3.144  -1.742
  255    HA   LYS  36           HA       LYS  36  16.424  -2.687  -4.595
  256    HB2  LYS  36           1HB      LYS  36  18.203  -0.896  -2.885
  257    HB3  LYS  36           2HB      LYS  36  18.352  -1.001  -4.642
  258    HG2  LYS  36           1HG      LYS  36  16.019  -0.274  -4.933
  259    HG3  LYS  36           2HG      LYS  36  15.822  -0.154  -3.170
  260    HD2  LYS  36           1HD      LYS  36  17.465   1.614  -3.019
  261    HD3  LYS  36           2HD      LYS  36  17.937   1.395  -4.708
  262    HE2  LYS  36           1HE      LYS  36  16.557   3.378  -4.463
  263    HE3  LYS  36           2HE      LYS  36  15.770   2.186  -5.497
  264    HZ1  LYS  36           3HZ      LYS  36  14.269   1.636  -3.724
  265    HZ2  LYS  36           1HZ      LYS  36  14.297   3.257  -3.809
  266    HZ3  LYS  36           2HZ      LYS  36  15.115   2.487  -2.611